Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 14:27: 2 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Ba2PbO4.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized file Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 103 59 17 2268 993 160 Max 104 60 18 2269 1013 162 Sum 3717 2159 633 81653 36039 5781 bravais-lattice index = 14 lattice parameter (alat) = 13.8157 a.u. unit-cell volume = 828.2219 (a.u.)^3 number of atoms/cell = 7 number of atomic types = 3 number of electrons = 58.00 number of Kohn-Sham states= 70 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.815733 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.827357 celldm(5)= -0.827357 celldm(6)= 0.654715 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.654715 0.755876 0.000000 ) a(3) = ( -0.827357 -0.377938 0.415503 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.866166 1.203361 ) b(2) = ( 0.000000 1.322968 1.203361 ) b(3) = ( 0.000000 0.000000 2.406721 ) PseudoPot. # 1 for Ba read from file: /users/gautes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Pb read from file: /users/gautes/Pseudo/Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 75f9fe62f948a5acf869e43db2c29526 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1281 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ba 10.00 137.32700 Ba( 1.00) O 6.00 15.99940 O( 1.00) Pb 14.00 207.20000 Pb( 1.00) 4 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 322 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031056 k( 2) = ( 0.0000000 0.0000000 0.0231415), wk = 0.0031056 k( 3) = ( 0.0000000 0.0000000 0.0462831), wk = 0.0031056 k( 4) = ( 0.0000000 0.0000000 0.0694246), wk = 0.0031056 k( 5) = ( 0.0000000 0.0000000 0.0925662), wk = 0.0031056 k( 6) = ( 0.0000000 0.0000000 0.1157078), wk = 0.0031056 k( 7) = ( 0.0000000 0.0000000 0.1388493), wk = 0.0031056 k( 8) = ( 0.0000000 0.0000000 0.1619909), wk = 0.0031056 k( 9) = ( 0.0000000 0.0000000 0.1851324), wk = 0.0031056 k( 10) = ( 0.0000000 0.0000000 0.2082740), wk = 0.0031056 k( 11) = ( 0.0000000 0.0000000 0.2314155), wk = 0.0031056 k( 12) = ( 0.0000000 0.0000000 0.2545571), wk = 0.0031056 k( 13) = ( 0.0000000 0.0000000 0.2776986), wk = 0.0031056 k( 14) = ( 0.0000000 0.0000000 0.3008402), wk = 0.0031056 k( 15) = ( 0.0000000 0.0000000 0.3239817), wk = 0.0031056 k( 16) = ( 0.0000000 0.0000000 0.3471233), wk = 0.0031056 k( 17) = ( 0.0000000 0.0000000 0.3702648), wk = 0.0031056 k( 18) = ( 0.0000000 0.0000000 0.3934064), wk = 0.0031056 k( 19) = ( 0.0000000 0.0000000 0.4165479), wk = 0.0031056 k( 20) = ( 0.0000000 0.0000000 0.4396895), wk = 0.0031056 k( 21) = ( 0.0000000 0.0000000 0.4628310), wk = 0.0031056 k( 22) = ( 0.0000000 0.0000000 0.4859726), wk = 0.0031056 k( 23) = ( 0.0000000 0.0000000 0.5091142), wk = 0.0031056 k( 24) = ( 0.0000000 0.0000000 0.5322557), wk = 0.0031056 k( 25) = ( 0.0000000 0.0000000 0.5553973), wk = 0.0031056 k( 26) = ( 0.0000000 0.0000000 0.5785388), wk = 0.0031056 k( 27) = ( 0.0000000 0.0000000 0.6016804), wk = 0.0031056 k( 28) = ( 0.0000000 0.0000000 0.6248219), wk = 0.0031056 k( 29) = ( 0.0000000 0.0000000 0.6479635), wk = 0.0031056 k( 30) = ( 0.0000000 0.0000000 0.6711050), wk = 0.0031056 k( 31) = ( 0.0000000 0.0000000 0.6942466), wk = 0.0031056 k( 32) = ( 0.0000000 0.0000000 0.7173881), wk = 0.0031056 k( 33) = ( 0.0000000 0.0000000 0.7405297), wk = 0.0031056 k( 34) = ( 0.0000000 0.0000000 0.7636712), wk = 0.0031056 k( 35) = ( 0.0000000 0.0000000 0.7868128), wk = 0.0031056 k( 36) = ( 0.0000000 0.0000000 0.8099543), wk = 0.0031056 k( 37) = ( 0.0000000 0.0000000 0.8330959), wk = 0.0031056 k( 38) = ( 0.0000000 0.0000000 0.8562374), wk = 0.0031056 k( 39) = ( 0.0000000 0.0000000 0.8793790), wk = 0.0031056 k( 40) = ( 0.0000000 0.0000000 0.9025205), wk = 0.0031056 k( 41) = ( 0.0000000 0.0000000 0.9256621), wk = 0.0031056 k( 42) = ( 0.0000000 0.0000000 0.9488037), wk = 0.0031056 k( 43) = ( 0.0000000 0.0000000 0.9719452), wk = 0.0031056 k( 44) = ( 0.0000000 0.0000000 0.9950868), wk = 0.0031056 k( 45) = ( 0.0000000 0.0000000 1.0182283), wk = 0.0031056 k( 46) = ( 0.0000000 0.0000000 1.0413699), wk = 0.0031056 k( 47) = ( 0.0000000 0.0000000 1.0645114), wk = 0.0031056 k( 48) = ( 0.0000000 0.0000000 1.0876530), wk = 0.0031056 k( 49) = ( 0.0000000 0.0000000 1.1107945), wk = 0.0031056 k( 50) = ( 0.0000000 0.0000000 1.1339361), wk = 0.0031056 k( 51) = ( 0.0000000 0.0000000 1.1570776), wk = 0.0031056 k( 52) = ( 0.0000000 0.0000000 1.1802192), wk = 0.0031056 k( 53) = ( 0.0000000 0.0000000 1.2033607), wk = 0.0031056 k( 54) = ( 0.0000000 0.0000000 1.2033607), wk = 0.0031056 k( 55) = ( -0.0086945 0.0190334 1.2033607), wk = 0.0031056 k( 56) = ( -0.0173890 0.0380668 1.2033607), wk = 0.0031056 k( 57) = ( -0.0260835 0.0571002 1.2033607), wk = 0.0031056 k( 58) = ( -0.0347780 0.0761336 1.2033607), wk = 0.0031056 k( 59) = ( -0.0434724 0.0951670 1.2033607), wk = 0.0031056 k( 60) = ( -0.0521669 0.1142004 1.2033607), wk = 0.0031056 k( 61) = ( -0.0521669 0.1142004 1.2033607), wk = 0.0031056 k( 62) = ( -0.0589523 0.1290544 1.1870303), wk = 0.0031056 k( 63) = ( -0.0657376 0.1439085 1.1706998), wk = 0.0031056 k( 64) = ( -0.0725230 0.1587625 1.1543694), wk = 0.0031056 k( 65) = ( -0.0793083 0.1736166 1.1380389), wk = 0.0031056 k( 66) = ( -0.0860937 0.1884706 1.1217085), wk = 0.0031056 k( 67) = ( -0.0928790 0.2033247 1.1053780), wk = 0.0031056 k( 68) = ( -0.0996644 0.2181787 1.0890476), wk = 0.0031056 k( 69) = ( -0.1064497 0.2330327 1.0727172), wk = 0.0031056 k( 70) = ( -0.1132351 0.2478868 1.0563867), wk = 0.0031056 k( 71) = ( -0.1200204 0.2627408 1.0400563), wk = 0.0031056 k( 72) = ( -0.1268058 0.2775948 1.0237258), wk = 0.0031056 k( 73) = ( -0.1335911 0.2924489 1.0073954), wk = 0.0031056 k( 74) = ( -0.1403765 0.3073029 0.9910649), wk = 0.0031056 k( 75) = ( -0.1471618 0.3221570 0.9747345), wk = 0.0031056 k( 76) = ( -0.1539472 0.3370110 0.9584040), wk = 0.0031056 k( 77) = ( -0.1607325 0.3518650 0.9420736), wk = 0.0031056 k( 78) = ( -0.1675179 0.3667191 0.9257431), wk = 0.0031056 k( 79) = ( -0.1743032 0.3815731 0.9094127), wk = 0.0031056 k( 80) = ( -0.1810886 0.3964272 0.8930823), wk = 0.0031056 k( 81) = ( -0.1878739 0.4112812 0.8767518), wk = 0.0031056 k( 82) = ( -0.1946593 0.4261353 0.8604214), wk = 0.0031056 k( 83) = ( -0.2014446 0.4409893 0.8440909), wk = 0.0031056 k( 84) = ( -0.2082300 0.4558433 0.8277605), wk = 0.0031056 k( 85) = ( -0.2150153 0.4706974 0.8114300), wk = 0.0031056 k( 86) = ( -0.2218007 0.4855514 0.7950996), wk = 0.0031056 k( 87) = ( -0.2285860 0.5004055 0.7787691), wk = 0.0031056 k( 88) = ( -0.2353714 0.5152595 0.7624387), wk = 0.0031056 k( 89) = ( -0.2421567 0.5301135 0.7461082), wk = 0.0031056 k( 90) = ( -0.2489421 0.5449676 0.7297778), wk = 0.0031056 k( 91) = ( -0.2557274 0.5598216 0.7134473), wk = 0.0031056 k( 92) = ( -0.2625128 0.5746757 0.6971169), wk = 0.0031056 k( 93) = ( -0.2692981 0.5895297 0.6807864), wk = 0.0031056 k( 94) = ( -0.2760835 0.6043837 0.6644560), wk = 0.0031056 k( 95) = ( -0.2760835 0.6043837 0.6644560), wk = 0.0031056 k( 96) = ( -0.2693497 0.5896427 0.6482498), wk = 0.0031056 k( 97) = ( -0.2626160 0.5749016 0.6320435), wk = 0.0031056 k( 98) = ( -0.2558822 0.5601605 0.6158373), wk = 0.0031056 k( 99) = ( -0.2491485 0.5454195 0.5996310), wk = 0.0031056 k( 100) = ( -0.2424148 0.5306784 0.5834248), wk = 0.0031056 k( 101) = ( -0.2356810 0.5159373 0.5672185), wk = 0.0031056 k( 102) = ( -0.2289473 0.5011963 0.5510123), wk = 0.0031056 k( 103) = ( -0.2222135 0.4864552 0.5348060), wk = 0.0031056 k( 104) = ( -0.2154798 0.4717141 0.5185998), wk = 0.0031056 k( 105) = ( -0.2087460 0.4569731 0.5023936), wk = 0.0031056 k( 106) = ( -0.2020123 0.4422320 0.4861873), wk = 0.0031056 k( 107) = ( -0.1952785 0.4274909 0.4699811), wk = 0.0031056 k( 108) = ( -0.1885448 0.4127499 0.4537748), wk = 0.0031056 k( 109) = ( -0.1818111 0.3980088 0.4375686), wk = 0.0031056 k( 110) = ( -0.1750773 0.3832677 0.4213623), wk = 0.0031056 k( 111) = ( -0.1683436 0.3685267 0.4051561), wk = 0.0031056 k( 112) = ( -0.1616098 0.3537856 0.3889498), wk = 0.0031056 k( 113) = ( -0.1548761 0.3390445 0.3727436), wk = 0.0031056 k( 114) = ( -0.1481424 0.3243035 0.3565374), wk = 0.0031056 k( 115) = ( -0.1414086 0.3095624 0.3403311), wk = 0.0031056 k( 116) = ( -0.1346749 0.2948213 0.3241249), wk = 0.0031056 k( 117) = ( -0.1279411 0.2800803 0.3079186), wk = 0.0031056 k( 118) = ( -0.1212074 0.2653392 0.2917124), wk = 0.0031056 k( 119) = ( -0.1144736 0.2505981 0.2755061), wk = 0.0031056 k( 120) = ( -0.1077399 0.2358571 0.2592999), wk = 0.0031056 k( 121) = ( -0.1010062 0.2211160 0.2430937), wk = 0.0031056 k( 122) = ( -0.0942724 0.2063749 0.2268874), wk = 0.0031056 k( 123) = ( -0.0875387 0.1916339 0.2106812), wk = 0.0031056 k( 124) = ( -0.0808049 0.1768928 0.1944749), wk = 0.0031056 k( 125) = ( -0.0740712 0.1621517 0.1782687), wk = 0.0031056 k( 126) = ( -0.0673374 0.1474107 0.1620624), wk = 0.0031056 k( 127) = ( -0.0606037 0.1326696 0.1458562), wk = 0.0031056 k( 128) = ( -0.0538699 0.1179285 0.1296499), wk = 0.0031056 k( 129) = ( -0.0471362 0.1031875 0.1134437), wk = 0.0031056 k( 130) = ( -0.0404025 0.0884464 0.0972375), wk = 0.0031056 k( 131) = ( -0.0336687 0.0737053 0.0810312), wk = 0.0031056 k( 132) = ( -0.0269350 0.0589643 0.0648250), wk = 0.0031056 k( 133) = ( -0.0202012 0.0442232 0.0486187), wk = 0.0031056 k( 134) = ( -0.0134675 0.0294821 0.0324125), wk = 0.0031056 k( 135) = ( -0.0067337 0.0147411 0.0162062), wk = 0.0031056 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031056 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031056 k( 138) = ( 0.0208333 0.0095167 -0.0000000), wk = 0.0031056 k( 139) = ( 0.0416667 0.0190334 -0.0000000), wk = 0.0031056 k( 140) = ( 0.0625000 0.0285501 -0.0000000), wk = 0.0031056 k( 141) = ( 0.0833333 0.0380668 -0.0000000), wk = 0.0031056 k( 142) = ( 0.1041667 0.0475835 -0.0000000), wk = 0.0031056 k( 143) = ( 0.1250000 0.0571002 -0.0000000), wk = 0.0031056 k( 144) = ( 0.1458333 0.0666169 -0.0000000), wk = 0.0031056 k( 145) = ( 0.1666667 0.0761336 -0.0000000), wk = 0.0031056 k( 146) = ( 0.1875000 0.0856503 -0.0000000), wk = 0.0031056 k( 147) = ( 0.2083333 0.0951670 -0.0000000), wk = 0.0031056 k( 148) = ( 0.2291667 0.1046837 -0.0000000), wk = 0.0031056 k( 149) = ( 0.2500000 0.1142004 -0.0000000), wk = 0.0031056 k( 150) = ( 0.2708333 0.1237171 -0.0000000), wk = 0.0031056 k( 151) = ( 0.2916667 0.1332338 -0.0000000), wk = 0.0031056 k( 152) = ( 0.3125000 0.1427505 -0.0000000), wk = 0.0031056 k( 153) = ( 0.3333333 0.1522672 -0.0000000), wk = 0.0031056 k( 154) = ( 0.3541667 0.1617839 -0.0000000), wk = 0.0031056 k( 155) = ( 0.3750000 0.1713006 -0.0000000), wk = 0.0031056 k( 156) = ( 0.3958333 0.1808173 -0.0000000), wk = 0.0031056 k( 157) = ( 0.4166667 0.1903340 -0.0000000), wk = 0.0031056 k( 158) = ( 0.4375000 0.1998507 -0.0000000), wk = 0.0031056 k( 159) = ( 0.4583333 0.2093674 -0.0000000), wk = 0.0031056 k( 160) = ( 0.4791667 0.2188841 -0.0000000), wk = 0.0031056 k( 161) = ( 0.5000000 0.2284008 -0.0000000), wk = 0.0031056 k( 162) = ( 0.5000000 0.2284008 -0.0000000), wk = 0.0031056 k( 163) = ( 0.4932146 0.2432548 0.0163304), wk = 0.0031056 k( 164) = ( 0.4864293 0.2581089 0.0326609), wk = 0.0031056 k( 165) = ( 0.4796439 0.2729629 0.0489913), wk = 0.0031056 k( 166) = ( 0.4728586 0.2878170 0.0653218), wk = 0.0031056 k( 167) = ( 0.4660732 0.3026710 0.0816522), wk = 0.0031056 k( 168) = ( 0.4592879 0.3175251 0.0979827), wk = 0.0031056 k( 169) = ( 0.4525026 0.3323791 0.1143131), wk = 0.0031056 k( 170) = ( 0.4457172 0.3472331 0.1306436), wk = 0.0031056 k( 171) = ( 0.4389319 0.3620872 0.1469740), wk = 0.0031056 k( 172) = ( 0.4321465 0.3769412 0.1633045), wk = 0.0031056 k( 173) = ( 0.4253612 0.3917953 0.1796349), wk = 0.0031056 k( 174) = ( 0.4185758 0.4066493 0.1959653), wk = 0.0031056 k( 175) = ( 0.4117905 0.4215033 0.2122958), wk = 0.0031056 k( 176) = ( 0.4050051 0.4363574 0.2286262), wk = 0.0031056 k( 177) = ( 0.3982198 0.4512114 0.2449567), wk = 0.0031056 k( 178) = ( 0.3914344 0.4660654 0.2612871), wk = 0.0031056 k( 179) = ( 0.3846491 0.4809195 0.2776176), wk = 0.0031056 k( 180) = ( 0.3778637 0.4957735 0.2939480), wk = 0.0031056 k( 181) = ( 0.3710784 0.5106276 0.3102785), wk = 0.0031056 k( 182) = ( 0.3642930 0.5254816 0.3266089), wk = 0.0031056 k( 183) = ( 0.3575077 0.5403357 0.3429394), wk = 0.0031056 k( 184) = ( 0.3507223 0.5551897 0.3592698), wk = 0.0031056 k( 185) = ( 0.3439370 0.5700437 0.3756003), wk = 0.0031056 k( 186) = ( 0.3371516 0.5848978 0.3919307), wk = 0.0031056 k( 187) = ( 0.3303663 0.5997518 0.4082612), wk = 0.0031056 k( 188) = ( 0.3235809 0.6146059 0.4245916), wk = 0.0031056 k( 189) = ( 0.3167956 0.6294599 0.4409221), wk = 0.0031056 k( 190) = ( 0.3100102 0.6443139 0.4572525), wk = 0.0031056 k( 191) = ( 0.3032249 0.6591680 0.4735830), wk = 0.0031056 k( 192) = ( 0.2964395 0.6740220 0.4899134), wk = 0.0031056 k( 193) = ( 0.2896542 0.6888761 0.5062438), wk = 0.0031056 k( 194) = ( 0.2828688 0.7037301 0.5225743), wk = 0.0031056 k( 195) = ( 0.2760835 0.7185841 0.5389047), wk = 0.0031056 k( 196) = ( 0.2760835 0.7185841 0.5389047), wk = 0.0031056 k( 197) = ( 0.2548463 0.7141918 0.5437336), wk = 0.0031056 k( 198) = ( 0.2336091 0.7097995 0.5485625), wk = 0.0031056 k( 199) = ( 0.2123719 0.7054072 0.5533914), wk = 0.0031056 k( 200) = ( 0.1911347 0.7010148 0.5582203), wk = 0.0031056 k( 201) = ( 0.1698975 0.6966225 0.5630492), wk = 0.0031056 k( 202) = ( 0.1486603 0.6922302 0.5678781), wk = 0.0031056 k( 203) = ( 0.1274231 0.6878379 0.5727070), wk = 0.0031056 k( 204) = ( 0.1061860 0.6834455 0.5775359), wk = 0.0031056 k( 205) = ( 0.0849488 0.6790532 0.5823648), wk = 0.0031056 k( 206) = ( 0.0637116 0.6746609 0.5871937), wk = 0.0031056 k( 207) = ( 0.0424744 0.6702686 0.5920226), wk = 0.0031056 k( 208) = ( 0.0212372 0.6658763 0.5968515), wk = 0.0031056 k( 209) = ( 0.0000000 0.6614839 0.6016804), wk = 0.0031056 k( 210) = ( 0.0000000 0.6614839 0.6016804), wk = 0.0031056 k( 211) = ( 0.0067568 0.6466925 0.6179420), wk = 0.0031056 k( 212) = ( 0.0135135 0.6319010 0.6342036), wk = 0.0031056 k( 213) = ( 0.0202703 0.6171096 0.6504653), wk = 0.0031056 k( 214) = ( 0.0270270 0.6023181 0.6667269), wk = 0.0031056 k( 215) = ( 0.0337838 0.5875267 0.6829885), wk = 0.0031056 k( 216) = ( 0.0405405 0.5727353 0.6992502), wk = 0.0031056 k( 217) = ( 0.0472973 0.5579438 0.7155118), wk = 0.0031056 k( 218) = ( 0.0540540 0.5431524 0.7317734), wk = 0.0031056 k( 219) = ( 0.0608108 0.5283609 0.7480350), wk = 0.0031056 k( 220) = ( 0.0675676 0.5135695 0.7642967), wk = 0.0031056 k( 221) = ( 0.0743243 0.4987780 0.7805583), wk = 0.0031056 k( 222) = ( 0.0810811 0.4839866 0.7968199), wk = 0.0031056 k( 223) = ( 0.0878378 0.4691951 0.8130816), wk = 0.0031056 k( 224) = ( 0.0945946 0.4544037 0.8293432), wk = 0.0031056 k( 225) = ( 0.1013514 0.4396122 0.8456048), wk = 0.0031056 k( 226) = ( 0.1081081 0.4248208 0.8618665), wk = 0.0031056 k( 227) = ( 0.1148649 0.4100293 0.8781281), wk = 0.0031056 k( 228) = ( 0.1216216 0.3952379 0.8943897), wk = 0.0031056 k( 229) = ( 0.1283784 0.3804464 0.9106514), wk = 0.0031056 k( 230) = ( 0.1351351 0.3656550 0.9269130), wk = 0.0031056 k( 231) = ( 0.1418919 0.3508636 0.9431746), wk = 0.0031056 k( 232) = ( 0.1486486 0.3360721 0.9594363), wk = 0.0031056 k( 233) = ( 0.1554054 0.3212806 0.9756979), wk = 0.0031056 k( 234) = ( 0.1621622 0.3064892 0.9919595), wk = 0.0031056 k( 235) = ( 0.1689189 0.2916978 1.0082212), wk = 0.0031056 k( 236) = ( 0.1756757 0.2769063 1.0244828), wk = 0.0031056 k( 237) = ( 0.1824324 0.2621149 1.0407444), wk = 0.0031056 k( 238) = ( 0.1891892 0.2473234 1.0570061), wk = 0.0031056 k( 239) = ( 0.1959460 0.2325320 1.0732677), wk = 0.0031056 k( 240) = ( 0.2027027 0.2177405 1.0895293), wk = 0.0031056 k( 241) = ( 0.2094595 0.2029491 1.1057909), wk = 0.0031056 k( 242) = ( 0.2162162 0.1881576 1.1220526), wk = 0.0031056 k( 243) = ( 0.2229730 0.1733662 1.1383142), wk = 0.0031056 k( 244) = ( 0.2297297 0.1585747 1.1545758), wk = 0.0031056 k( 245) = ( 0.2364865 0.1437833 1.1708375), wk = 0.0031056 k( 246) = ( 0.2432432 0.1289919 1.1870991), wk = 0.0031056 k( 247) = ( 0.2500000 0.1142004 1.2033607), wk = 0.0031056 k( 248) = ( 0.2500000 0.1142004 1.2033607), wk = 0.0031056 k( 249) = ( 0.2692308 0.1229851 1.1937029), wk = 0.0031056 k( 250) = ( 0.2884615 0.1317697 1.1840452), wk = 0.0031056 k( 251) = ( 0.3076923 0.1405543 1.1743874), wk = 0.0031056 k( 252) = ( 0.3269231 0.1493390 1.1647296), wk = 0.0031056 k( 253) = ( 0.3461538 0.1581236 1.1550718), wk = 0.0031056 k( 254) = ( 0.3653846 0.1669083 1.1454140), wk = 0.0031056 k( 255) = ( 0.3846154 0.1756929 1.1357562), wk = 0.0031056 k( 256) = ( 0.4038462 0.1844776 1.1260984), wk = 0.0031056 k( 257) = ( 0.4230769 0.1932622 1.1164406), wk = 0.0031056 k( 258) = ( 0.4423077 0.2020469 1.1067828), wk = 0.0031056 k( 259) = ( 0.4615385 0.2108315 1.0971250), wk = 0.0031056 k( 260) = ( 0.4807692 0.2196162 1.0874673), wk = 0.0031056 k( 261) = ( 0.5000000 0.2284008 1.0778095), wk = 0.0031056 k( 262) = ( 0.5000000 0.2284008 1.0778095), wk = 0.0031056 k( 263) = ( 0.5000000 0.2284008 1.0548774), wk = 0.0031056 k( 264) = ( 0.5000000 0.2284008 1.0319452), wk = 0.0031056 k( 265) = ( 0.5000000 0.2284008 1.0090131), wk = 0.0031056 k( 266) = ( 0.5000000 0.2284008 0.9860810), wk = 0.0031056 k( 267) = ( 0.5000000 0.2284008 0.9631489), wk = 0.0031056 k( 268) = ( 0.5000000 0.2284008 0.9402168), wk = 0.0031056 k( 269) = ( 0.5000000 0.2284008 0.9172847), wk = 0.0031056 k( 270) = ( 0.5000000 0.2284008 0.8943525), wk = 0.0031056 k( 271) = ( 0.5000000 0.2284008 0.8714204), wk = 0.0031056 k( 272) = ( 0.5000000 0.2284008 0.8484883), wk = 0.0031056 k( 273) = ( 0.5000000 0.2284008 0.8255562), wk = 0.0031056 k( 274) = ( 0.5000000 0.2284008 0.8026241), wk = 0.0031056 k( 275) = ( 0.5000000 0.2284008 0.7796920), wk = 0.0031056 k( 276) = ( 0.5000000 0.2284008 0.7567598), wk = 0.0031056 k( 277) = ( 0.5000000 0.2284008 0.7338277), wk = 0.0031056 k( 278) = ( 0.5000000 0.2284008 0.7108956), wk = 0.0031056 k( 279) = ( 0.5000000 0.2284008 0.6879635), wk = 0.0031056 k( 280) = ( 0.5000000 0.2284008 0.6650314), wk = 0.0031056 k( 281) = ( 0.5000000 0.2284008 0.6420993), wk = 0.0031056 k( 282) = ( 0.5000000 0.2284008 0.6191671), wk = 0.0031056 k( 283) = ( 0.5000000 0.2284008 0.5962350), wk = 0.0031056 k( 284) = ( 0.5000000 0.2284008 0.5733029), wk = 0.0031056 k( 285) = ( 0.5000000 0.2284008 0.5503708), wk = 0.0031056 k( 286) = ( 0.5000000 0.2284008 0.5274387), wk = 0.0031056 k( 287) = ( 0.5000000 0.2284008 0.5045066), wk = 0.0031056 k( 288) = ( 0.5000000 0.2284008 0.4815744), wk = 0.0031056 k( 289) = ( 0.5000000 0.2284008 0.4586423), wk = 0.0031056 k( 290) = ( 0.5000000 0.2284008 0.4357102), wk = 0.0031056 k( 291) = ( 0.5000000 0.2284008 0.4127781), wk = 0.0031056 k( 292) = ( 0.5000000 0.2284008 0.3898460), wk = 0.0031056 k( 293) = ( 0.5000000 0.2284008 0.3669139), wk = 0.0031056 k( 294) = ( 0.5000000 0.2284008 0.3439817), wk = 0.0031056 k( 295) = ( 0.5000000 0.2284008 0.3210496), wk = 0.0031056 k( 296) = ( 0.5000000 0.2284008 0.2981175), wk = 0.0031056 k( 297) = ( 0.5000000 0.2284008 0.2751854), wk = 0.0031056 k( 298) = ( 0.5000000 0.2284008 0.2522533), wk = 0.0031056 k( 299) = ( 0.5000000 0.2284008 0.2293212), wk = 0.0031056 k( 300) = ( 0.5000000 0.2284008 0.2063890), wk = 0.0031056 k( 301) = ( 0.5000000 0.2284008 0.1834569), wk = 0.0031056 k( 302) = ( 0.5000000 0.2284008 0.1605248), wk = 0.0031056 k( 303) = ( 0.5000000 0.2284008 0.1375927), wk = 0.0031056 k( 304) = ( 0.5000000 0.2284008 0.1146606), wk = 0.0031056 k( 305) = ( 0.5000000 0.2284008 0.0917285), wk = 0.0031056 k( 306) = ( 0.5000000 0.2284008 0.0687963), wk = 0.0031056 k( 307) = ( 0.5000000 0.2284008 0.0458642), wk = 0.0031056 k( 308) = ( 0.5000000 0.2284008 0.0229321), wk = 0.0031056 k( 309) = ( 0.5000000 0.2284008 -0.0000000), wk = 0.0031056 k( 310) = ( 0.0000000 0.0000000 1.2033607), wk = 0.0031056 k( 311) = ( 0.0208333 0.0095167 1.2033607), wk = 0.0031056 k( 312) = ( 0.0416667 0.0190334 1.2033607), wk = 0.0031056 k( 313) = ( 0.0625000 0.0285501 1.2033607), wk = 0.0031056 k( 314) = ( 0.0833333 0.0380668 1.2033607), wk = 0.0031056 k( 315) = ( 0.1041667 0.0475835 1.2033607), wk = 0.0031056 k( 316) = ( 0.1250000 0.0571002 1.2033607), wk = 0.0031056 k( 317) = ( 0.1458333 0.0666169 1.2033607), wk = 0.0031056 k( 318) = ( 0.1666667 0.0761336 1.2033607), wk = 0.0031056 k( 319) = ( 0.1875000 0.0856503 1.2033607), wk = 0.0031056 k( 320) = ( 0.2083333 0.0951670 1.2033607), wk = 0.0031056 k( 321) = ( 0.2291667 0.1046837 1.2033607), wk = 0.0031056 k( 322) = ( 0.2500000 0.1142004 1.2033607), wk = 0.0031056 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031056 k( 2) = ( 0.0000000 0.0000000 0.0096154), wk = 0.0031056 k( 3) = ( 0.0000000 0.0000000 0.0192308), wk = 0.0031056 k( 4) = ( 0.0000000 0.0000000 0.0288462), wk = 0.0031056 k( 5) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0031056 k( 6) = ( 0.0000000 0.0000000 0.0480769), wk = 0.0031056 k( 7) = ( 0.0000000 0.0000000 0.0576923), wk = 0.0031056 k( 8) = ( 0.0000000 0.0000000 0.0673077), wk = 0.0031056 k( 9) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0031056 k( 10) = ( 0.0000000 0.0000000 0.0865385), wk = 0.0031056 k( 11) = ( 0.0000000 0.0000000 0.0961538), wk = 0.0031056 k( 12) = ( 0.0000000 0.0000000 0.1057692), wk = 0.0031056 k( 13) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0031056 k( 14) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0031056 k( 15) = ( 0.0000000 0.0000000 0.1346154), wk = 0.0031056 k( 16) = ( 0.0000000 0.0000000 0.1442308), wk = 0.0031056 k( 17) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0031056 k( 18) = ( 0.0000000 0.0000000 0.1634615), wk = 0.0031056 k( 19) = ( 0.0000000 0.0000000 0.1730769), wk = 0.0031056 k( 20) = ( 0.0000000 0.0000000 0.1826923), wk = 0.0031056 k( 21) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0031056 k( 22) = ( 0.0000000 0.0000000 0.2019231), wk = 0.0031056 k( 23) = ( 0.0000000 0.0000000 0.2115385), wk = 0.0031056 k( 24) = ( 0.0000000 0.0000000 0.2211539), wk = 0.0031056 k( 25) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0031056 k( 26) = ( 0.0000000 0.0000000 0.2403846), wk = 0.0031056 k( 27) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0031056 k( 28) = ( 0.0000000 0.0000000 0.2596154), wk = 0.0031056 k( 29) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0031056 k( 30) = ( 0.0000000 0.0000000 0.2788462), wk = 0.0031056 k( 31) = ( 0.0000000 0.0000000 0.2884615), wk = 0.0031056 k( 32) = ( 0.0000000 0.0000000 0.2980769), wk = 0.0031056 k( 33) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0031056 k( 34) = ( 0.0000000 0.0000000 0.3173077), wk = 0.0031056 k( 35) = ( 0.0000000 0.0000000 0.3269231), wk = 0.0031056 k( 36) = ( 0.0000000 0.0000000 0.3365385), wk = 0.0031056 k( 37) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0031056 k( 38) = ( 0.0000000 0.0000000 0.3557692), wk = 0.0031056 k( 39) = ( 0.0000000 0.0000000 0.3653846), wk = 0.0031056 k( 40) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0031056 k( 41) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0031056 k( 42) = ( 0.0000000 0.0000000 0.3942308), wk = 0.0031056 k( 43) = ( 0.0000000 0.0000000 0.4038461), wk = 0.0031056 k( 44) = ( 0.0000000 0.0000000 0.4134615), wk = 0.0031056 k( 45) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0031056 k( 46) = ( 0.0000000 0.0000000 0.4326923), wk = 0.0031056 k( 47) = ( 0.0000000 0.0000000 0.4423077), wk = 0.0031056 k( 48) = ( 0.0000000 0.0000000 0.4519231), wk = 0.0031056 k( 49) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0031056 k( 50) = ( 0.0000000 0.0000000 0.4711538), wk = 0.0031056 k( 51) = ( 0.0000000 0.0000000 0.4807692), wk = 0.0031056 k( 52) = ( 0.0000000 0.0000000 0.4903846), wk = 0.0031056 k( 53) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031056 k( 54) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031056 k( 55) = ( -0.0086945 0.0086945 0.5000000), wk = 0.0031056 k( 56) = ( -0.0173890 0.0173890 0.5000000), wk = 0.0031056 k( 57) = ( -0.0260835 0.0260835 0.5000000), wk = 0.0031056 k( 58) = ( -0.0347780 0.0347780 0.5000000), wk = 0.0031056 k( 59) = ( -0.0434724 0.0434724 0.5000000), wk = 0.0031056 k( 60) = ( -0.0521669 0.0521669 0.5000000), wk = 0.0031056 k( 61) = ( -0.0521669 0.0521669 0.5000000), wk = 0.0031056 k( 62) = ( -0.0589523 0.0589523 0.4932146), wk = 0.0031056 k( 63) = ( -0.0657376 0.0657376 0.4864293), wk = 0.0031056 k( 64) = ( -0.0725230 0.0725230 0.4796439), wk = 0.0031056 k( 65) = ( -0.0793083 0.0793083 0.4728586), wk = 0.0031056 k( 66) = ( -0.0860937 0.0860937 0.4660732), wk = 0.0031056 k( 67) = ( -0.0928790 0.0928790 0.4592879), wk = 0.0031056 k( 68) = ( -0.0996644 0.0996644 0.4525025), wk = 0.0031056 k( 69) = ( -0.1064497 0.1064497 0.4457172), wk = 0.0031056 k( 70) = ( -0.1132351 0.1132351 0.4389319), wk = 0.0031056 k( 71) = ( -0.1200204 0.1200204 0.4321465), wk = 0.0031056 k( 72) = ( -0.1268058 0.1268058 0.4253612), wk = 0.0031056 k( 73) = ( -0.1335911 0.1335911 0.4185758), wk = 0.0031056 k( 74) = ( -0.1403765 0.1403765 0.4117905), wk = 0.0031056 k( 75) = ( -0.1471618 0.1471618 0.4050051), wk = 0.0031056 k( 76) = ( -0.1539472 0.1539472 0.3982198), wk = 0.0031056 k( 77) = ( -0.1607325 0.1607325 0.3914344), wk = 0.0031056 k( 78) = ( -0.1675179 0.1675179 0.3846491), wk = 0.0031056 k( 79) = ( -0.1743032 0.1743032 0.3778637), wk = 0.0031056 k( 80) = ( -0.1810886 0.1810886 0.3710784), wk = 0.0031056 k( 81) = ( -0.1878739 0.1878739 0.3642930), wk = 0.0031056 k( 82) = ( -0.1946593 0.1946593 0.3575077), wk = 0.0031056 k( 83) = ( -0.2014446 0.2014446 0.3507223), wk = 0.0031056 k( 84) = ( -0.2082300 0.2082300 0.3439370), wk = 0.0031056 k( 85) = ( -0.2150153 0.2150153 0.3371516), wk = 0.0031056 k( 86) = ( -0.2218007 0.2218007 0.3303663), wk = 0.0031056 k( 87) = ( -0.2285860 0.2285860 0.3235809), wk = 0.0031056 k( 88) = ( -0.2353714 0.2353714 0.3167956), wk = 0.0031056 k( 89) = ( -0.2421567 0.2421567 0.3100102), wk = 0.0031056 k( 90) = ( -0.2489421 0.2489421 0.3032249), wk = 0.0031056 k( 91) = ( -0.2557274 0.2557274 0.2964395), wk = 0.0031056 k( 92) = ( -0.2625128 0.2625128 0.2896542), wk = 0.0031056 k( 93) = ( -0.2692981 0.2692981 0.2828688), wk = 0.0031056 k( 94) = ( -0.2760835 0.2760835 0.2760835), wk = 0.0031056 k( 95) = ( -0.2760835 0.2760835 0.2760835), wk = 0.0031056 k( 96) = ( -0.2693497 0.2693497 0.2693497), wk = 0.0031056 k( 97) = ( -0.2626160 0.2626160 0.2626160), wk = 0.0031056 k( 98) = ( -0.2558822 0.2558822 0.2558822), wk = 0.0031056 k( 99) = ( -0.2491485 0.2491485 0.2491485), wk = 0.0031056 k( 100) = ( -0.2424148 0.2424148 0.2424148), wk = 0.0031056 k( 101) = ( -0.2356810 0.2356810 0.2356810), wk = 0.0031056 k( 102) = ( -0.2289473 0.2289473 0.2289473), wk = 0.0031056 k( 103) = ( -0.2222135 0.2222135 0.2222135), wk = 0.0031056 k( 104) = ( -0.2154798 0.2154798 0.2154798), wk = 0.0031056 k( 105) = ( -0.2087460 0.2087460 0.2087460), wk = 0.0031056 k( 106) = ( -0.2020123 0.2020123 0.2020123), wk = 0.0031056 k( 107) = ( -0.1952785 0.1952786 0.1952785), wk = 0.0031056 k( 108) = ( -0.1885448 0.1885448 0.1885448), wk = 0.0031056 k( 109) = ( -0.1818111 0.1818111 0.1818111), wk = 0.0031056 k( 110) = ( -0.1750773 0.1750773 0.1750773), wk = 0.0031056 k( 111) = ( -0.1683436 0.1683436 0.1683436), wk = 0.0031056 k( 112) = ( -0.1616098 0.1616098 0.1616098), wk = 0.0031056 k( 113) = ( -0.1548761 0.1548761 0.1548761), wk = 0.0031056 k( 114) = ( -0.1481424 0.1481424 0.1481424), wk = 0.0031056 k( 115) = ( -0.1414086 0.1414086 0.1414086), wk = 0.0031056 k( 116) = ( -0.1346749 0.1346749 0.1346749), wk = 0.0031056 k( 117) = ( -0.1279411 0.1279411 0.1279411), wk = 0.0031056 k( 118) = ( -0.1212074 0.1212074 0.1212074), wk = 0.0031056 k( 119) = ( -0.1144736 0.1144736 0.1144736), wk = 0.0031056 k( 120) = ( -0.1077399 0.1077399 0.1077399), wk = 0.0031056 k( 121) = ( -0.1010062 0.1010061 0.1010062), wk = 0.0031056 k( 122) = ( -0.0942724 0.0942724 0.0942724), wk = 0.0031056 k( 123) = ( -0.0875387 0.0875387 0.0875387), wk = 0.0031056 k( 124) = ( -0.0808049 0.0808049 0.0808049), wk = 0.0031056 k( 125) = ( -0.0740712 0.0740712 0.0740712), wk = 0.0031056 k( 126) = ( -0.0673374 0.0673374 0.0673374), wk = 0.0031056 k( 127) = ( -0.0606037 0.0606037 0.0606037), wk = 0.0031056 k( 128) = ( -0.0538699 0.0538699 0.0538699), wk = 0.0031056 k( 129) = ( -0.0471362 0.0471362 0.0471362), wk = 0.0031056 k( 130) = ( -0.0404025 0.0404025 0.0404025), wk = 0.0031056 k( 131) = ( -0.0336687 0.0336687 0.0336687), wk = 0.0031056 k( 132) = ( -0.0269350 0.0269350 0.0269350), wk = 0.0031056 k( 133) = ( -0.0202012 0.0202012 0.0202012), wk = 0.0031056 k( 134) = ( -0.0134675 0.0134675 0.0134675), wk = 0.0031056 k( 135) = ( -0.0067337 0.0067337 0.0067337), wk = 0.0031056 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031056 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031056 k( 138) = ( 0.0208333 0.0208333 -0.0208333), wk = 0.0031056 k( 139) = ( 0.0416667 0.0416667 -0.0416667), wk = 0.0031056 k( 140) = ( 0.0625000 0.0625000 -0.0625000), wk = 0.0031056 k( 141) = ( 0.0833333 0.0833333 -0.0833333), wk = 0.0031056 k( 142) = ( 0.1041667 0.1041667 -0.1041667), wk = 0.0031056 k( 143) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0031056 k( 144) = ( 0.1458333 0.1458333 -0.1458333), wk = 0.0031056 k( 145) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0031056 k( 146) = ( 0.1875000 0.1875000 -0.1875000), wk = 0.0031056 k( 147) = ( 0.2083333 0.2083333 -0.2083333), wk = 0.0031056 k( 148) = ( 0.2291667 0.2291667 -0.2291667), wk = 0.0031056 k( 149) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0031056 k( 150) = ( 0.2708333 0.2708333 -0.2708333), wk = 0.0031056 k( 151) = ( 0.2916667 0.2916667 -0.2916667), wk = 0.0031056 k( 152) = ( 0.3125000 0.3125000 -0.3125000), wk = 0.0031056 k( 153) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0031056 k( 154) = ( 0.3541667 0.3541667 -0.3541667), wk = 0.0031056 k( 155) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0031056 k( 156) = ( 0.3958333 0.3958333 -0.3958333), wk = 0.0031056 k( 157) = ( 0.4166667 0.4166667 -0.4166667), wk = 0.0031056 k( 158) = ( 0.4375000 0.4375000 -0.4375000), wk = 0.0031056 k( 159) = ( 0.4583333 0.4583333 -0.4583333), wk = 0.0031056 k( 160) = ( 0.4791667 0.4791667 -0.4791667), wk = 0.0031056 k( 161) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0031056 k( 162) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0031056 k( 163) = ( 0.4932146 0.5067854 -0.4932146), wk = 0.0031056 k( 164) = ( 0.4864293 0.5135707 -0.4864293), wk = 0.0031056 k( 165) = ( 0.4796439 0.5203560 -0.4796439), wk = 0.0031056 k( 166) = ( 0.4728586 0.5271414 -0.4728586), wk = 0.0031056 k( 167) = ( 0.4660732 0.5339267 -0.4660732), wk = 0.0031056 k( 168) = ( 0.4592879 0.5407121 -0.4592879), wk = 0.0031056 k( 169) = ( 0.4525026 0.5474974 -0.4525025), wk = 0.0031056 k( 170) = ( 0.4457172 0.5542828 -0.4457172), wk = 0.0031056 k( 171) = ( 0.4389319 0.5610681 -0.4389319), wk = 0.0031056 k( 172) = ( 0.4321465 0.5678535 -0.4321465), wk = 0.0031056 k( 173) = ( 0.4253612 0.5746389 -0.4253612), wk = 0.0031056 k( 174) = ( 0.4185758 0.5814242 -0.4185758), wk = 0.0031056 k( 175) = ( 0.4117905 0.5882095 -0.4117905), wk = 0.0031056 k( 176) = ( 0.4050051 0.5949949 -0.4050051), wk = 0.0031056 k( 177) = ( 0.3982198 0.6017802 -0.3982198), wk = 0.0031056 k( 178) = ( 0.3914344 0.6085656 -0.3914344), wk = 0.0031056 k( 179) = ( 0.3846491 0.6153509 -0.3846491), wk = 0.0031056 k( 180) = ( 0.3778637 0.6221363 -0.3778637), wk = 0.0031056 k( 181) = ( 0.3710784 0.6289216 -0.3710784), wk = 0.0031056 k( 182) = ( 0.3642930 0.6357070 -0.3642930), wk = 0.0031056 k( 183) = ( 0.3575077 0.6424923 -0.3575077), wk = 0.0031056 k( 184) = ( 0.3507223 0.6492777 -0.3507223), wk = 0.0031056 k( 185) = ( 0.3439370 0.6560630 -0.3439370), wk = 0.0031056 k( 186) = ( 0.3371516 0.6628484 -0.3371516), wk = 0.0031056 k( 187) = ( 0.3303663 0.6696337 -0.3303663), wk = 0.0031056 k( 188) = ( 0.3235809 0.6764191 -0.3235809), wk = 0.0031056 k( 189) = ( 0.3167956 0.6832044 -0.3167956), wk = 0.0031056 k( 190) = ( 0.3100102 0.6899898 -0.3100102), wk = 0.0031056 k( 191) = ( 0.3032249 0.6967751 -0.3032249), wk = 0.0031056 k( 192) = ( 0.2964395 0.7035605 -0.2964395), wk = 0.0031056 k( 193) = ( 0.2896542 0.7103458 -0.2896542), wk = 0.0031056 k( 194) = ( 0.2828688 0.7171312 -0.2828688), wk = 0.0031056 k( 195) = ( 0.2760835 0.7239165 -0.2760835), wk = 0.0031056 k( 196) = ( 0.2760835 0.7239165 -0.2760835), wk = 0.0031056 k( 197) = ( 0.2548463 0.7066922 -0.2548463), wk = 0.0031056 k( 198) = ( 0.2336091 0.6894678 -0.2336091), wk = 0.0031056 k( 199) = ( 0.2123719 0.6722435 -0.2123719), wk = 0.0031056 k( 200) = ( 0.1911347 0.6550191 -0.1911347), wk = 0.0031056 k( 201) = ( 0.1698975 0.6377948 -0.1698975), wk = 0.0031056 k( 202) = ( 0.1486603 0.6205704 -0.1486603), wk = 0.0031056 k( 203) = ( 0.1274231 0.6033461 -0.1274231), wk = 0.0031056 k( 204) = ( 0.1061860 0.5861217 -0.1061859), wk = 0.0031056 k( 205) = ( 0.0849488 0.5688974 -0.0849488), wk = 0.0031056 k( 206) = ( 0.0637116 0.5516730 -0.0637116), wk = 0.0031056 k( 207) = ( 0.0424744 0.5344487 -0.0424744), wk = 0.0031056 k( 208) = ( 0.0212372 0.5172243 -0.0212372), wk = 0.0031056 k( 209) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0031056 k( 210) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0031056 k( 211) = ( 0.0067568 0.4932432 0.0067568), wk = 0.0031056 k( 212) = ( 0.0135135 0.4864865 0.0135135), wk = 0.0031056 k( 213) = ( 0.0202703 0.4797297 0.0202703), wk = 0.0031056 k( 214) = ( 0.0270270 0.4729730 0.0270270), wk = 0.0031056 k( 215) = ( 0.0337838 0.4662162 0.0337838), wk = 0.0031056 k( 216) = ( 0.0405405 0.4594595 0.0405405), wk = 0.0031056 k( 217) = ( 0.0472973 0.4527027 0.0472973), wk = 0.0031056 k( 218) = ( 0.0540540 0.4459460 0.0540540), wk = 0.0031056 k( 219) = ( 0.0608108 0.4391892 0.0608108), wk = 0.0031056 k( 220) = ( 0.0675676 0.4324324 0.0675676), wk = 0.0031056 k( 221) = ( 0.0743243 0.4256757 0.0743243), wk = 0.0031056 k( 222) = ( 0.0810811 0.4189189 0.0810811), wk = 0.0031056 k( 223) = ( 0.0878378 0.4121622 0.0878378), wk = 0.0031056 k( 224) = ( 0.0945946 0.4054054 0.0945946), wk = 0.0031056 k( 225) = ( 0.1013514 0.3986487 0.1013514), wk = 0.0031056 k( 226) = ( 0.1081081 0.3918919 0.1081081), wk = 0.0031056 k( 227) = ( 0.1148649 0.3851351 0.1148649), wk = 0.0031056 k( 228) = ( 0.1216216 0.3783784 0.1216216), wk = 0.0031056 k( 229) = ( 0.1283784 0.3716216 0.1283784), wk = 0.0031056 k( 230) = ( 0.1351351 0.3648649 0.1351351), wk = 0.0031056 k( 231) = ( 0.1418919 0.3581081 0.1418919), wk = 0.0031056 k( 232) = ( 0.1486486 0.3513513 0.1486486), wk = 0.0031056 k( 233) = ( 0.1554054 0.3445946 0.1554054), wk = 0.0031056 k( 234) = ( 0.1621622 0.3378378 0.1621622), wk = 0.0031056 k( 235) = ( 0.1689189 0.3310811 0.1689189), wk = 0.0031056 k( 236) = ( 0.1756757 0.3243243 0.1756757), wk = 0.0031056 k( 237) = ( 0.1824324 0.3175676 0.1824324), wk = 0.0031056 k( 238) = ( 0.1891892 0.3108108 0.1891892), wk = 0.0031056 k( 239) = ( 0.1959460 0.3040540 0.1959459), wk = 0.0031056 k( 240) = ( 0.2027027 0.2972973 0.2027027), wk = 0.0031056 k( 241) = ( 0.2094595 0.2905405 0.2094595), wk = 0.0031056 k( 242) = ( 0.2162162 0.2837838 0.2162162), wk = 0.0031056 k( 243) = ( 0.2229730 0.2770270 0.2229730), wk = 0.0031056 k( 244) = ( 0.2297297 0.2702703 0.2297297), wk = 0.0031056 k( 245) = ( 0.2364865 0.2635135 0.2364865), wk = 0.0031056 k( 246) = ( 0.2432432 0.2567568 0.2432432), wk = 0.0031056 k( 247) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0031056 k( 248) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0031056 k( 249) = ( 0.2692308 0.2692308 0.2267564), wk = 0.0031056 k( 250) = ( 0.2884615 0.2884615 0.2035128), wk = 0.0031056 k( 251) = ( 0.3076923 0.3076923 0.1802692), wk = 0.0031056 k( 252) = ( 0.3269231 0.3269231 0.1570256), wk = 0.0031056 k( 253) = ( 0.3461538 0.3461538 0.1337819), wk = 0.0031056 k( 254) = ( 0.3653846 0.3653846 0.1105383), wk = 0.0031056 k( 255) = ( 0.3846154 0.3846154 0.0872947), wk = 0.0031056 k( 256) = ( 0.4038462 0.4038461 0.0640511), wk = 0.0031056 k( 257) = ( 0.4230769 0.4230769 0.0408075), wk = 0.0031056 k( 258) = ( 0.4423077 0.4423077 0.0175639), wk = 0.0031056 k( 259) = ( 0.4615385 0.4615385 -0.0056797), wk = 0.0031056 k( 260) = ( 0.4807692 0.4807692 -0.0289233), wk = 0.0031056 k( 261) = ( 0.5000000 0.5000000 -0.0521669), wk = 0.0031056 k( 262) = ( 0.5000000 0.5000000 -0.0521669), wk = 0.0031056 k( 263) = ( 0.5000000 0.5000000 -0.0616953), wk = 0.0031056 k( 264) = ( 0.5000000 0.5000000 -0.0712237), wk = 0.0031056 k( 265) = ( 0.5000000 0.5000000 -0.0807520), wk = 0.0031056 k( 266) = ( 0.5000000 0.5000000 -0.0902804), wk = 0.0031056 k( 267) = ( 0.5000000 0.5000000 -0.0998087), wk = 0.0031056 k( 268) = ( 0.5000000 0.5000000 -0.1093371), wk = 0.0031056 k( 269) = ( 0.5000000 0.5000000 -0.1188655), wk = 0.0031056 k( 270) = ( 0.5000000 0.5000000 -0.1283938), wk = 0.0031056 k( 271) = ( 0.5000000 0.5000000 -0.1379222), wk = 0.0031056 k( 272) = ( 0.5000000 0.5000000 -0.1474506), wk = 0.0031056 k( 273) = ( 0.5000000 0.5000000 -0.1569789), wk = 0.0031056 k( 274) = ( 0.5000000 0.5000000 -0.1665073), wk = 0.0031056 k( 275) = ( 0.5000000 0.5000000 -0.1760356), wk = 0.0031056 k( 276) = ( 0.5000000 0.5000000 -0.1855640), wk = 0.0031056 k( 277) = ( 0.5000000 0.5000000 -0.1950924), wk = 0.0031056 k( 278) = ( 0.5000000 0.5000000 -0.2046207), wk = 0.0031056 k( 279) = ( 0.5000000 0.5000000 -0.2141491), wk = 0.0031056 k( 280) = ( 0.5000000 0.5000000 -0.2236775), wk = 0.0031056 k( 281) = ( 0.5000000 0.5000000 -0.2332058), wk = 0.0031056 k( 282) = ( 0.5000000 0.5000000 -0.2427342), wk = 0.0031056 k( 283) = ( 0.5000000 0.5000000 -0.2522626), wk = 0.0031056 k( 284) = ( 0.5000000 0.5000000 -0.2617909), wk = 0.0031056 k( 285) = ( 0.5000000 0.5000000 -0.2713193), wk = 0.0031056 k( 286) = ( 0.5000000 0.5000000 -0.2808477), wk = 0.0031056 k( 287) = ( 0.5000000 0.5000000 -0.2903760), wk = 0.0031056 k( 288) = ( 0.5000000 0.5000000 -0.2999044), wk = 0.0031056 k( 289) = ( 0.5000000 0.5000000 -0.3094327), wk = 0.0031056 k( 290) = ( 0.5000000 0.5000000 -0.3189611), wk = 0.0031056 k( 291) = ( 0.5000000 0.5000000 -0.3284895), wk = 0.0031056 k( 292) = ( 0.5000000 0.5000000 -0.3380178), wk = 0.0031056 k( 293) = ( 0.5000000 0.5000000 -0.3475462), wk = 0.0031056 k( 294) = ( 0.5000000 0.5000000 -0.3570745), wk = 0.0031056 k( 295) = ( 0.5000000 0.5000000 -0.3666029), wk = 0.0031056 k( 296) = ( 0.5000000 0.5000000 -0.3761313), wk = 0.0031056 k( 297) = ( 0.5000000 0.5000000 -0.3856596), wk = 0.0031056 k( 298) = ( 0.5000000 0.5000000 -0.3951880), wk = 0.0031056 k( 299) = ( 0.5000000 0.5000000 -0.4047164), wk = 0.0031056 k( 300) = ( 0.5000000 0.5000000 -0.4142447), wk = 0.0031056 k( 301) = ( 0.5000000 0.5000000 -0.4237731), wk = 0.0031056 k( 302) = ( 0.5000000 0.5000000 -0.4333015), wk = 0.0031056 k( 303) = ( 0.5000000 0.5000000 -0.4428298), wk = 0.0031056 k( 304) = ( 0.5000000 0.5000000 -0.4523582), wk = 0.0031056 k( 305) = ( 0.5000000 0.5000000 -0.4618866), wk = 0.0031056 k( 306) = ( 0.5000000 0.5000000 -0.4714149), wk = 0.0031056 k( 307) = ( 0.5000000 0.5000000 -0.4809433), wk = 0.0031056 k( 308) = ( 0.5000000 0.5000000 -0.4904716), wk = 0.0031056 k( 309) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0031056 k( 310) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031056 k( 311) = ( 0.0208333 0.0208333 0.4791667), wk = 0.0031056 k( 312) = ( 0.0416667 0.0416667 0.4583333), wk = 0.0031056 k( 313) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0031056 k( 314) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0031056 k( 315) = ( 0.1041667 0.1041667 0.3958333), wk = 0.0031056 k( 316) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0031056 k( 317) = ( 0.1458333 0.1458333 0.3541667), wk = 0.0031056 k( 318) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0031056 k( 319) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0031056 k( 320) = ( 0.2083333 0.2083333 0.2916667), wk = 0.0031056 k( 321) = ( 0.2291667 0.2291667 0.2708333), wk = 0.0031056 k( 322) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0031056 Dense grid: 81653 G-vectors FFT dimensions: ( 80, 80, 80) Smooth grid: 36039 G-vectors FFT dimensions: ( 64, 64, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.29 Mb ( 268, 70) NL pseudopotentials 0.33 Mb ( 134, 160) Each V/rho on FFT grid 0.29 Mb ( 19200) Each G-vector array 0.02 Mb ( 2269) G-vector shells 0.01 Mb ( 1046) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.15 Mb ( 268, 280) Each subspace H/S matrix 0.07 Mb ( 70, 70) Each matrix 0.34 Mb ( 160, 2, 70) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./Ba2PbO4.save/charge-density.dat Starting wfc are 70 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.6 secs Computing kpt #: 2 total cpu time spent up to now is 6.3 secs Computing kpt #: 3 total cpu time spent up to now is 7.9 secs Computing kpt #: 4 total cpu time spent up to now is 9.5 secs Computing kpt #: 5 total cpu time spent up to now is 11.2 secs Computing kpt #: 6 total cpu time spent up to now is 13.2 secs Computing kpt #: 7 total cpu time spent up to now is 15.1 secs Computing kpt #: 8 total cpu time spent up to now is 16.8 secs Computing kpt #: 9 total cpu time spent up to now is 18.5 secs Computing kpt #: 10 total cpu time spent up to now is 20.1 secs Computing kpt #: 11 total cpu time spent up to now is 21.7 secs Computing kpt #: 12 total cpu time spent up to now is 23.2 secs Computing kpt #: 13 total cpu time spent up to now is 24.8 secs Computing kpt #: 14 total cpu time spent up to now is 26.6 secs Computing kpt #: 15 total cpu time spent up to now is 28.3 secs Computing kpt #: 16 total cpu time spent up to now is 30.4 secs Computing kpt #: 17 total cpu time spent up to now is 32.2 secs Computing kpt #: 18 total cpu time spent up to now is 33.9 secs Computing kpt #: 19 total cpu time spent up to now is 36.0 secs Computing kpt #: 20 total cpu time spent up to now is 38.4 secs Computing kpt #: 21 total cpu time spent up to now is 40.3 secs Computing kpt #: 22 total cpu time spent up to now is 42.1 secs Computing kpt #: 23 total cpu time spent up to now is 43.8 secs Computing kpt #: 24 total cpu time spent up to now is 45.4 secs Computing kpt #: 25 total cpu time spent up to now is 47.0 secs Computing kpt #: 26 total cpu time spent up to now is 48.6 secs Computing kpt #: 27 total cpu time spent up to now is 50.2 secs Computing kpt #: 28 total cpu time spent up to now is 51.5 secs Computing kpt #: 29 total cpu time spent up to now is 53.2 secs Computing kpt #: 30 total cpu time spent up to now is 54.7 secs Computing kpt #: 31 total cpu time spent up to now is 56.5 secs Computing kpt #: 32 total cpu time spent up to now is 57.9 secs Computing kpt #: 33 total cpu time spent up to now is 59.3 secs Computing kpt #: 34 total cpu time spent up to now is 60.7 secs Computing kpt #: 35 total cpu time spent up to now is 62.1 secs Computing kpt #: 36 total cpu time spent up to now is 63.5 secs Computing kpt #: 37 total cpu time spent up to now is 64.8 secs Computing kpt #: 38 total cpu time spent up to now is 66.3 secs Computing kpt #: 39 total cpu time spent up to now is 67.6 secs Computing kpt #: 40 total cpu time spent up to now is 69.0 secs Computing kpt #: 41 total cpu time spent up to now is 70.4 secs Computing kpt #: 42 total cpu time spent up to now is 71.9 secs Computing kpt #: 43 total cpu time spent up to now is 73.3 secs Computing kpt #: 44 total cpu time spent up to now is 74.7 secs Computing kpt #: 45 total cpu time spent up to now is 76.1 secs Computing kpt #: 46 total cpu time spent up to now is 77.5 secs Computing kpt #: 47 total cpu time spent up to now is 78.9 secs Computing kpt #: 48 total cpu time spent up to now is 80.2 secs Computing kpt #: 49 total cpu time spent up to now is 81.6 secs Computing kpt #: 50 total cpu time spent up to now is 82.9 secs Computing kpt #: 51 total cpu time spent up to now is 84.3 secs Computing kpt #: 52 total cpu time spent up to now is 85.7 secs Computing kpt #: 53 total cpu time spent up to now is 87.4 secs Computing kpt #: 54 total cpu time spent up to now is 88.8 secs Computing kpt #: 55 total cpu time spent up to now is 90.2 secs Computing kpt #: 56 total cpu time spent up to now is 91.6 secs Computing kpt #: 57 total cpu time spent up to now is 93.0 secs Computing kpt #: 58 total cpu time spent up to now is 94.6 secs Computing kpt #: 59 total cpu time spent up to now is 96.3 secs Computing kpt #: 60 total cpu time spent up to now is 97.9 secs Computing kpt #: 61 total cpu time spent up to now is 99.6 secs Computing kpt #: 62 total cpu time spent up to now is 101.3 secs Computing kpt #: 63 total cpu time spent up to now is 103.0 secs Computing kpt #: 64 total cpu time spent up to now is 104.7 secs Computing kpt #: 65 total cpu time spent up to now is 106.4 secs Computing kpt #: 66 total cpu time spent up to now is 108.4 secs Computing kpt #: 67 total cpu time spent up to now is 110.6 secs Computing kpt #: 68 total cpu time spent up to now is 113.5 secs Computing kpt #: 69 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 116.4 secs Computing kpt #: 70 total cpu time spent up to now is 118.3 secs Computing kpt #: 71 total cpu time spent up to now is 120.1 secs Computing kpt #: 72 total cpu time spent up to now is 121.7 secs Computing kpt #: 73 total cpu time spent up to now is 123.1 secs Computing kpt #: 74 total cpu time spent up to now is 124.4 secs Computing kpt #: 75 total cpu time spent up to now is 125.8 secs Computing kpt #: 76 total cpu time spent up to now is 127.1 secs Computing kpt #: 77 total cpu time spent up to now is 128.4 secs Computing kpt #: 78 total cpu time spent up to now is 129.8 secs Computing kpt #: 79 total cpu time spent up to now is 131.1 secs Computing kpt #: 80 total cpu time spent up to now is 132.4 secs Computing kpt #: 81 total cpu time spent up to now is 133.8 secs Computing kpt #: 82 total cpu time spent up to now is 135.2 secs Computing kpt #: 83 total cpu time spent up to now is 136.7 secs Computing kpt #: 84 total cpu time spent up to now is 138.1 secs Computing kpt #: 85 total cpu time spent up to now is 139.8 secs Computing kpt #: 86 total cpu time spent up to now is 141.2 secs Computing kpt #: 87 total cpu time spent up to now is 142.9 secs Computing kpt #: 88 total cpu time spent up to now is 144.6 secs Computing kpt #: 89 total cpu time spent up to now is 146.3 secs Computing kpt #: 90 total cpu time spent up to now is 148.0 secs Computing kpt #: 91 total cpu time spent up to now is 149.9 secs Computing kpt #: 92 total cpu time spent up to now is 151.8 secs Computing kpt #: 93 total cpu time spent up to now is 153.7 secs Computing kpt #: 94 total cpu time spent up to now is 155.6 secs Computing kpt #: 95 total cpu time spent up to now is 157.4 secs Computing kpt #: 96 total cpu time spent up to now is 159.3 secs Computing kpt #: 97 total cpu time spent up to now is 161.1 secs Computing kpt #: 98 total cpu time spent up to now is 163.0 secs Computing kpt #: 99 total cpu time spent up to now is 165.2 secs Computing kpt #: 100 total cpu time spent up to now is 167.3 secs Computing kpt #: 101 total cpu time spent up to now is 169.8 secs Computing kpt #: 102 total cpu time spent up to now is 172.3 secs Computing kpt #: 103 total cpu time spent up to now is 174.1 secs Computing kpt #: 104 total cpu time spent up to now is 176.2 secs Computing kpt #: 105 total cpu time spent up to now is 178.4 secs Computing kpt #: 106 total cpu time spent up to now is 180.2 secs Computing kpt #: 107 total cpu time spent up to now is 181.9 secs Computing kpt #: 108 total cpu time spent up to now is 183.7 secs Computing kpt #: 109 total cpu time spent up to now is 185.2 secs Computing kpt #: 110 total cpu time spent up to now is 186.7 secs Computing kpt #: 111 total cpu time spent up to now is 188.3 secs Computing kpt #: 112 total cpu time spent up to now is 189.8 secs Computing kpt #: 113 total cpu time spent up to now is 191.4 secs Computing kpt #: 114 total cpu time spent up to now is 193.0 secs Computing kpt #: 115 total cpu time spent up to now is 194.7 secs Computing kpt #: 116 total cpu time spent up to now is 196.5 secs Computing kpt #: 117 total cpu time spent up to now is 198.6 secs Computing kpt #: 118 total cpu time spent up to now is 200.5 secs Computing kpt #: 119 total cpu time spent up to now is 202.2 secs Computing kpt #: 120 total cpu time spent up to now is 204.4 secs Computing kpt #: 121 total cpu time spent up to now is 206.1 secs Computing kpt #: 122 total cpu time spent up to now is 207.9 secs Computing kpt #: 123 total cpu time spent up to now is 209.5 secs Computing kpt #: 124 total cpu time spent up to now is 211.2 secs Computing kpt #: 125 total cpu time spent up to now is 212.8 secs Computing kpt #: 126 total cpu time spent up to now is 214.3 secs Computing kpt #: 127 total cpu time spent up to now is 215.9 secs Computing kpt #: 128 total cpu time spent up to now is 217.5 secs Computing kpt #: 129 total cpu time spent up to now is 219.2 secs Computing kpt #: 130 total cpu time spent up to now is 221.0 secs Computing kpt #: 131 total cpu time spent up to now is 222.7 secs Computing kpt #: 132 total cpu time spent up to now is 224.4 secs Computing kpt #: 133 total cpu time spent up to now is 226.1 secs Computing kpt #: 134 total cpu time spent up to now is 228.2 secs Computing kpt #: 135 total cpu time spent up to now is 229.8 secs Computing kpt #: 136 total cpu time spent up to now is 231.5 secs Computing kpt #: 137 total cpu time spent up to now is 232.9 secs Computing kpt #: 138 total cpu time spent up to now is 234.4 secs Computing kpt #: 139 total cpu time spent up to now is 236.2 secs Computing kpt #: 140 total cpu time spent up to now is 237.9 secs Computing kpt #: 141 total cpu time spent up to now is 239.8 secs Computing kpt #: 142 total cpu time spent up to now is 241.6 secs Computing kpt #: 143 total cpu time spent up to now is 243.7 secs Computing kpt #: 144 total cpu time spent up to now is 246.0 secs Computing kpt #: 145 total cpu time spent up to now is 248.1 secs Computing kpt #: 146 total cpu time spent up to now is 249.9 secs Computing kpt #: 147 total cpu time spent up to now is 251.9 secs Computing kpt #: 148 total cpu time spent up to now is 254.4 secs Computing kpt #: 149 total cpu time spent up to now is 256.1 secs Computing kpt #: 150 total cpu time spent up to now is 257.8 secs Computing kpt #: 151 total cpu time spent up to now is 259.5 secs Computing kpt #: 152 total cpu time spent up to now is 261.6 secs Computing kpt #: 153 total cpu time spent up to now is 263.3 secs Computing kpt #: 154 total cpu time spent up to now is 265.1 secs Computing kpt #: 155 total cpu time spent up to now is 266.9 secs Computing kpt #: 156 total cpu time spent up to now is 268.7 secs Computing kpt #: 157 total cpu time spent up to now is 270.4 secs Computing kpt #: 158 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 273.3 secs Computing kpt #: 159 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 276.4 secs Computing kpt #: 160 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 279.3 secs Computing kpt #: 161 total cpu time spent up to now is 281.1 secs Computing kpt #: 162 total cpu time spent up to now is 284.0 secs Computing kpt #: 163 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 287.0 secs Computing kpt #: 164 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 290.0 secs Computing kpt #: 165 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 293.1 secs Computing kpt #: 166 total cpu time spent up to now is 295.4 secs Computing kpt #: 167 total cpu time spent up to now is 297.7 secs Computing kpt #: 168 total cpu time spent up to now is 299.4 secs Computing kpt #: 169 total cpu time spent up to now is 301.1 secs Computing kpt #: 170 total cpu time spent up to now is 302.9 secs Computing kpt #: 171 total cpu time spent up to now is 304.6 secs Computing kpt #: 172 total cpu time spent up to now is 306.4 secs Computing kpt #: 173 total cpu time spent up to now is 308.1 secs Computing kpt #: 174 total cpu time spent up to now is 309.8 secs Computing kpt #: 175 total cpu time spent up to now is 311.5 secs Computing kpt #: 176 total cpu time spent up to now is 313.4 secs Computing kpt #: 177 total cpu time spent up to now is 315.3 secs Computing kpt #: 178 total cpu time spent up to now is 317.4 secs Computing kpt #: 179 total cpu time spent up to now is 319.4 secs Computing kpt #: 180 total cpu time spent up to now is 321.6 secs Computing kpt #: 181 total cpu time spent up to now is 324.0 secs Computing kpt #: 182 total cpu time spent up to now is 326.1 secs Computing kpt #: 183 total cpu time spent up to now is 328.3 secs Computing kpt #: 184 total cpu time spent up to now is 331.1 secs Computing kpt #: 185 total cpu time spent up to now is 333.5 secs Computing kpt #: 186 total cpu time spent up to now is 336.1 secs Computing kpt #: 187 total cpu time spent up to now is 338.0 secs Computing kpt #: 188 total cpu time spent up to now is 340.1 secs Computing kpt #: 189 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 343.1 secs Computing kpt #: 190 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 346.1 secs Computing kpt #: 191 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 349.2 secs Computing kpt #: 192 total cpu time spent up to now is 351.7 secs Computing kpt #: 193 total cpu time spent up to now is 354.1 secs Computing kpt #: 194 total cpu time spent up to now is 356.0 secs Computing kpt #: 195 total cpu time spent up to now is 357.8 secs Computing kpt #: 196 total cpu time spent up to now is 359.7 secs Computing kpt #: 197 total cpu time spent up to now is 361.5 secs Computing kpt #: 198 total cpu time spent up to now is 363.7 secs Computing kpt #: 199 total cpu time spent up to now is 365.6 secs Computing kpt #: 200 total cpu time spent up to now is 367.5 secs Computing kpt #: 201 total cpu time spent up to now is 369.4 secs Computing kpt #: 202 total cpu time spent up to now is 371.2 secs Computing kpt #: 203 total cpu time spent up to now is 373.0 secs Computing kpt #: 204 total cpu time spent up to now is 374.8 secs Computing kpt #: 205 total cpu time spent up to now is 376.6 secs Computing kpt #: 206 total cpu time spent up to now is 378.4 secs Computing kpt #: 207 total cpu time spent up to now is 380.3 secs Computing kpt #: 208 total cpu time spent up to now is 382.0 secs Computing kpt #: 209 total cpu time spent up to now is 383.8 secs Computing kpt #: 210 total cpu time spent up to now is 385.6 secs Computing kpt #: 211 total cpu time spent up to now is 387.7 secs Computing kpt #: 212 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 390.7 secs Computing kpt #: 213 total cpu time spent up to now is 392.8 secs Computing kpt #: 214 total cpu time spent up to now is 394.6 secs Computing kpt #: 215 total cpu time spent up to now is 396.5 secs Computing kpt #: 216 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 399.5 secs Computing kpt #: 217 total cpu time spent up to now is 402.0 secs Computing kpt #: 218 total cpu time spent up to now is 403.8 secs Computing kpt #: 219 total cpu time spent up to now is 405.5 secs Computing kpt #: 220 total cpu time spent up to now is 407.3 secs Computing kpt #: 221 total cpu time spent up to now is 408.9 secs Computing kpt #: 222 total cpu time spent up to now is 410.5 secs Computing kpt #: 223 total cpu time spent up to now is 412.0 secs Computing kpt #: 224 total cpu time spent up to now is 413.6 secs Computing kpt #: 225 total cpu time spent up to now is 415.0 secs Computing kpt #: 226 total cpu time spent up to now is 416.5 secs Computing kpt #: 227 total cpu time spent up to now is 418.0 secs Computing kpt #: 228 total cpu time spent up to now is 419.6 secs Computing kpt #: 229 total cpu time spent up to now is 421.1 secs Computing kpt #: 230 total cpu time spent up to now is 422.7 secs Computing kpt #: 231 total cpu time spent up to now is 424.2 secs Computing kpt #: 232 total cpu time spent up to now is 425.7 secs Computing kpt #: 233 total cpu time spent up to now is 427.1 secs Computing kpt #: 234 total cpu time spent up to now is 428.7 secs Computing kpt #: 235 total cpu time spent up to now is 430.3 secs Computing kpt #: 236 total cpu time spent up to now is 431.9 secs Computing kpt #: 237 total cpu time spent up to now is 433.3 secs Computing kpt #: 238 total cpu time spent up to now is 434.8 secs Computing kpt #: 239 total cpu time spent up to now is 436.3 secs Computing kpt #: 240 total cpu time spent up to now is 438.4 secs Computing kpt #: 241 total cpu time spent up to now is 439.7 secs Computing kpt #: 242 total cpu time spent up to now is 441.1 secs Computing kpt #: 243 total cpu time spent up to now is 442.4 secs Computing kpt #: 244 total cpu time spent up to now is 443.7 secs Computing kpt #: 245 total cpu time spent up to now is 445.1 secs Computing kpt #: 246 total cpu time spent up to now is 446.5 secs Computing kpt #: 247 total cpu time spent up to now is 447.6 secs Computing kpt #: 248 total cpu time spent up to now is 448.8 secs Computing kpt #: 249 total cpu time spent up to now is 449.9 secs Computing kpt #: 250 total cpu time spent up to now is 451.1 secs Computing kpt #: 251 total cpu time spent up to now is 452.5 secs Computing kpt #: 252 total cpu time spent up to now is 453.8 secs Computing kpt #: 253 total cpu time spent up to now is 455.2 secs Computing kpt #: 254 total cpu time spent up to now is 456.6 secs Computing kpt #: 255 total cpu time spent up to now is 457.9 secs Computing kpt #: 256 total cpu time spent up to now is 459.4 secs Computing kpt #: 257 total cpu time spent up to now is 461.0 secs Computing kpt #: 258 total cpu time spent up to now is 462.5 secs Computing kpt #: 259 total cpu time spent up to now is 464.1 secs Computing kpt #: 260 total cpu time spent up to now is 465.7 secs Computing kpt #: 261 total cpu time spent up to now is 467.4 secs Computing kpt #: 262 total cpu time spent up to now is 469.2 secs Computing kpt #: 263 total cpu time spent up to now is 470.9 secs Computing kpt #: 264 total cpu time spent up to now is 472.6 secs Computing kpt #: 265 total cpu time spent up to now is 474.4 secs Computing kpt #: 266 total cpu time spent up to now is 476.2 secs Computing kpt #: 267 total cpu time spent up to now is 478.2 secs Computing kpt #: 268 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 481.1 secs Computing kpt #: 269 total cpu time spent up to now is 483.8 secs Computing kpt #: 270 total cpu time spent up to now is 486.0 secs Computing kpt #: 271 total cpu time spent up to now is 487.7 secs Computing kpt #: 272 total cpu time spent up to now is 489.4 secs Computing kpt #: 273 total cpu time spent up to now is 490.9 secs Computing kpt #: 274 total cpu time spent up to now is 492.2 secs Computing kpt #: 275 total cpu time spent up to now is 493.6 secs Computing kpt #: 276 total cpu time spent up to now is 494.9 secs Computing kpt #: 277 total cpu time spent up to now is 495.9 secs Computing kpt #: 278 total cpu time spent up to now is 497.0 secs Computing kpt #: 279 total cpu time spent up to now is 498.1 secs Computing kpt #: 280 total cpu time spent up to now is 499.2 secs Computing kpt #: 281 total cpu time spent up to now is 500.4 secs Computing kpt #: 282 total cpu time spent up to now is 501.7 secs Computing kpt #: 283 total cpu time spent up to now is 503.0 secs Computing kpt #: 284 total cpu time spent up to now is 504.3 secs Computing kpt #: 285 total cpu time spent up to now is 505.7 secs Computing kpt #: 286 total cpu time spent up to now is 507.5 secs Computing kpt #: 287 total cpu time spent up to now is 509.6 secs Computing kpt #: 288 total cpu time spent up to now is 512.0 secs Computing kpt #: 289 total cpu time spent up to now is 514.6 secs Computing kpt #: 290 total cpu time spent up to now is 517.1 secs Computing kpt #: 291 total cpu time spent up to now is 519.3 secs Computing kpt #: 292 total cpu time spent up to now is 521.4 secs Computing kpt #: 293 total cpu time spent up to now is 523.6 secs Computing kpt #: 294 total cpu time spent up to now is 525.6 secs Computing kpt #: 295 total cpu time spent up to now is 527.4 secs Computing kpt #: 296 total cpu time spent up to now is 529.3 secs Computing kpt #: 297 total cpu time spent up to now is 531.1 secs Computing kpt #: 298 total cpu time spent up to now is 532.8 secs Computing kpt #: 299 total cpu time spent up to now is 534.5 secs Computing kpt #: 300 total cpu time spent up to now is 536.2 secs Computing kpt #: 301 total cpu time spent up to now is 538.0 secs Computing kpt #: 302 total cpu time spent up to now is 539.7 secs Computing kpt #: 303 total cpu time spent up to now is 541.4 secs Computing kpt #: 304 total cpu time spent up to now is 543.2 secs Computing kpt #: 305 total cpu time spent up to now is 545.8 secs Computing kpt #: 306 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 548.9 secs Computing kpt #: 307 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 552.0 secs Computing kpt #: 308 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 555.0 secs Computing kpt #: 309 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 558.0 secs Computing kpt #: 310 total cpu time spent up to now is 559.4 secs Computing kpt #: 311 total cpu time spent up to now is 560.7 secs Computing kpt #: 312 total cpu time spent up to now is 562.1 secs Computing kpt #: 313 total cpu time spent up to now is 563.4 secs Computing kpt #: 314 total cpu time spent up to now is 564.7 secs Computing kpt #: 315 total cpu time spent up to now is 566.0 secs Computing kpt #: 316 total cpu time spent up to now is 567.4 secs Computing kpt #: 317 total cpu time spent up to now is 568.7 secs Computing kpt #: 318 total cpu time spent up to now is 569.9 secs Computing kpt #: 319 total cpu time spent up to now is 571.2 secs Computing kpt #: 320 total cpu time spent up to now is 572.5 secs Computing kpt #: 321 total cpu time spent up to now is 573.6 secs Computing kpt #: 322 total cpu time spent up to now is 574.7 secs ethr = 1.72E-08, avg # of iterations = 49.8 total cpu time spent up to now is 574.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4515 PWs) bands (ev): -16.6783 -16.6783 -16.5264 -16.5264 -8.8223 -8.8223 -8.8203 -8.8203 -8.2165 -8.2165 -6.9703 -6.9703 -6.4565 -6.4565 -6.4484 -6.4484 -4.7839 -4.7839 -3.9043 -3.9043 -3.2206 -3.2206 -3.0508 -3.0508 -3.0050 -3.0050 -1.1755 -1.1755 -1.1128 -1.1128 -1.0915 -1.0915 -0.9065 -0.9065 4.4145 4.4145 5.0216 5.0216 5.0336 5.0336 5.8441 5.8441 7.4088 7.4088 7.7547 7.7547 7.7995 7.7995 8.1643 8.1643 8.2178 8.2178 8.3267 8.3267 8.3486 8.3486 8.3872 8.3872 10.8318 10.8318 13.2730 13.2730 13.3747 13.3747 14.0933 14.0933 14.9581 14.9581 15.0402 15.0402 k = 0.0000 0.0000 0.0231 ( 4507 PWs) bands (ev): -16.6782 -16.6782 -16.5263 -16.5263 -8.8217 -8.8217 -8.8198 -8.8198 -8.2165 -8.2165 -6.9705 -6.9705 -6.4566 -6.4566 -6.4486 -6.4486 -4.7840 -4.7840 -3.9046 -3.9046 -3.2233 -3.2233 -3.0502 -3.0502 -3.0051 -3.0051 -1.1756 -1.1756 -1.1134 -1.1134 -1.0909 -1.0909 -0.9064 -0.9064 4.4048 4.4048 4.9456 4.9456 5.1215 5.1215 5.8448 5.8448 7.4091 7.4091 7.7544 7.7544 7.7992 7.7992 8.1530 8.1530 8.2245 8.2245 8.3269 8.3269 8.3506 8.3506 8.3859 8.3859 10.8352 10.8352 13.2732 13.2732 13.3780 13.3780 14.0960 14.0960 14.9600 14.9600 15.0420 15.0420 k = 0.0000 0.0000 0.0463 ( 4511 PWs) bands (ev): -16.6779 -16.6779 -16.5263 -16.5263 -8.8200 -8.8200 -8.8182 -8.8182 -8.2165 -8.2165 -6.9710 -6.9710 -6.4568 -6.4568 -6.4495 -6.4495 -4.7842 -4.7842 -3.9057 -3.9057 -3.2314 -3.2314 -3.0484 -3.0484 -3.0055 -3.0055 -1.1759 -1.1759 -1.1150 -1.1150 -1.0890 -1.0890 -0.9061 -0.9061 4.3743 4.3743 4.8818 4.8818 5.2219 5.2219 5.8470 5.8470 7.4099 7.4099 7.7533 7.7533 7.7983 7.7983 8.1282 8.1282 8.2358 8.2358 8.3257 8.3257 8.3571 8.3571 8.3826 8.3826 10.8452 10.8452 13.2739 13.2739 13.3881 13.3881 14.1038 14.1038 14.9656 14.9656 15.0475 15.0475 k = 0.0000 0.0000 0.0694 ( 4507 PWs) bands (ev): -16.6773 -16.6773 -16.5262 -16.5262 -8.8171 -8.8171 -8.8155 -8.8155 -8.2165 -8.2165 -6.9719 -6.9719 -6.4572 -6.4572 -6.4508 -6.4508 -4.7845 -4.7845 -3.9074 -3.9074 -3.2445 -3.2445 -3.0458 -3.0458 -3.0061 -3.0061 -1.1763 -1.1763 -1.1174 -1.1174 -1.0862 -1.0862 -0.9055 -0.9055 4.3217 4.3217 4.8407 4.8407 5.3257 5.3257 5.8509 5.8509 7.4114 7.4114 7.7511 7.7511 7.7974 7.7974 8.0978 8.0978 8.2450 8.2450 8.3211 8.3211 8.3668 8.3668 8.3805 8.3805 10.8617 10.8617 13.2752 13.2752 13.4046 13.4046 14.1168 14.1168 14.9749 14.9749 15.0566 15.0566 k = 0.0000 0.0000 0.0926 ( 4497 PWs) bands (ev): -16.6765 -16.6765 -16.5262 -16.5262 -8.8131 -8.8131 -8.8117 -8.8117 -8.2165 -8.2165 -6.9731 -6.9731 -6.4578 -6.4578 -6.4527 -6.4527 -4.7849 -4.7849 -3.9098 -3.9098 -3.2624 -3.2624 -3.0425 -3.0425 -3.0069 -3.0069 -1.1770 -1.1770 -1.1203 -1.1203 -1.0825 -1.0825 -0.9048 -0.9048 4.2485 4.2485 4.8225 4.8225 5.4300 5.4300 5.8571 5.8571 7.4135 7.4135 7.7469 7.7469 7.7972 7.7972 8.0644 8.0644 8.2507 8.2507 8.3124 8.3124 8.3686 8.3686 8.3903 8.3903 10.8844 10.8844 13.2771 13.2771 13.4272 13.4272 14.1349 14.1349 14.9879 14.9879 15.0694 15.0694 k = 0.0000 0.0000 0.1157 ( 4493 PWs) bands (ev): -16.6755 -16.6755 -16.5261 -16.5261 -8.8080 -8.8080 -8.8068 -8.8068 -8.2165 -8.2165 -6.9747 -6.9747 -6.4587 -6.4587 -6.4549 -6.4549 -4.7855 -4.7855 -3.9128 -3.9128 -3.2846 -3.2846 -3.0389 -3.0389 -3.0079 -3.0079 -1.1779 -1.1779 -1.1238 -1.1238 -1.0783 -1.0783 -0.9039 -0.9039 4.1597 4.1597 4.8237 4.8237 5.5321 5.5321 5.8671 5.8671 7.4161 7.4161 7.7405 7.7405 7.7983 7.7983 8.0289 8.0289 8.2524 8.2524 8.3008 8.3008 8.3660 8.3660 8.4076 8.4076 10.9132 10.9132 13.2796 13.2796 13.4555 13.4555 14.1582 14.1582 15.0044 15.0044 15.0859 15.0859 k = 0.0000 0.0000 0.1388 ( 4497 PWs) bands (ev): -16.6743 -16.6743 -16.5259 -16.5259 -8.8019 -8.8019 -8.8008 -8.8008 -8.2164 -8.2164 -6.9765 -6.9765 -6.4602 -6.4602 -6.4572 -6.4572 -4.7862 -4.7862 -3.9165 -3.9165 -3.3109 -3.3109 -3.0353 -3.0353 -3.0092 -3.0092 -1.1793 -1.1793 -1.1276 -1.1276 -1.0735 -1.0735 -0.9029 -0.9029 4.0606 4.0606 4.8397 4.8397 5.6279 5.6279 5.8838 5.8838 7.4193 7.4193 7.7314 7.7314 7.8008 7.8008 7.9920 7.9920 8.2476 8.2476 8.2904 8.2904 8.3640 8.3640 8.4263 8.4263 10.9477 10.9477 13.2829 13.2829 13.4888 13.4888 14.1865 14.1865 15.0243 15.0243 15.1060 15.1060 k = 0.0000 0.0000 0.1620 ( 4495 PWs) bands (ev): -16.6729 -16.6729 -16.5258 -16.5258 -8.7947 -8.7947 -8.7937 -8.7937 -8.2162 -8.2162 -6.9786 -6.9786 -6.4632 -6.4632 -6.4588 -6.4588 -4.7871 -4.7871 -3.9207 -3.9207 -3.3409 -3.3409 -3.0319 -3.0319 -3.0106 -3.0106 -1.1811 -1.1811 -1.1317 -1.1317 -1.0684 -1.0684 -0.9019 -0.9019 3.9551 3.9551 4.8671 4.8671 5.7101 5.7101 5.9137 5.9137 7.4231 7.4231 7.7201 7.7201 7.8048 7.8048 7.9543 7.9543 8.2335 8.2335 8.2857 8.2857 8.3628 8.3628 8.4450 8.4450 10.9875 10.9875 13.2871 13.2871 13.5266 13.5266 14.2197 14.2197 15.0477 15.0477 15.1296 15.1296 k = 0.0000 0.0000 0.1851 ( 4495 PWs) bands (ev): -16.6712 -16.6712 -16.5256 -16.5256 -8.7866 -8.7866 -8.7856 -8.7856 -8.2159 -8.2159 -6.9810 -6.9810 -6.4672 -6.4672 -6.4600 -6.4600 -4.7881 -4.7881 -3.9255 -3.9255 -3.3744 -3.3744 -3.0288 -3.0288 -3.0121 -3.0121 -1.1836 -1.1836 -1.1358 -1.1358 -1.0629 -1.0629 -0.9007 -0.9007 3.8459 3.8459 4.9035 4.9035 5.7690 5.7690 5.9661 5.9661 7.4274 7.4274 7.7067 7.7067 7.8099 7.8099 7.9162 7.9162 8.2127 8.2127 8.2854 8.2854 8.3624 8.3624 8.4631 8.4631 11.0324 11.0324 13.2923 13.2923 13.5681 13.5681 14.2577 14.2577 15.0742 15.0742 15.1566 15.1566 k = 0.0000 0.0000 0.2083 ( 4499 PWs) bands (ev): -16.6694 -16.6694 -16.5254 -16.5254 -8.7775 -8.7775 -8.7763 -8.7763 -8.2153 -8.2153 -6.9835 -6.9835 -6.4719 -6.4719 -6.4612 -6.4612 -4.7893 -4.7893 -3.9309 -3.9309 -3.4111 -3.4111 -3.0266 -3.0266 -3.0132 -3.0132 -1.1869 -1.1869 -1.1399 -1.1399 -1.0572 -1.0572 -0.8996 -0.8996 3.7347 3.7347 4.9475 4.9475 5.8045 5.8045 6.0404 6.0404 7.4322 7.4322 7.6915 7.6915 7.8155 7.8155 7.8786 7.8786 8.1891 8.1891 8.2872 8.2872 8.3626 8.3626 8.4803 8.4803 11.0819 11.0819 13.2985 13.2985 13.6126 13.6126 14.3005 14.3005 15.1037 15.1037 15.1869 15.1869 k = 0.0000 0.0000 0.2314 ( 4505 PWs) bands (ev): -16.6674 -16.6674 -16.5252 -16.5252 -8.7674 -8.7674 -8.7660 -8.7660 -8.2145 -8.2145 -6.9862 -6.9862 -6.4773 -6.4773 -6.4625 -6.4625 -4.7906 -4.7906 -3.9368 -3.9368 -3.4509 -3.4509 -3.0259 -3.0259 -3.0134 -3.0134 -1.1912 -1.1912 -1.1438 -1.1438 -1.0514 -1.0514 -0.8986 -0.8986 3.6225 3.6225 4.9979 4.9979 5.8268 5.8268 6.1259 6.1259 7.4376 7.4376 7.6750 7.6750 7.8176 7.8176 7.8456 7.8456 8.1651 8.1651 8.2899 8.2899 8.3633 8.3633 8.4964 8.4964 11.1359 11.1359 13.3060 13.3060 13.6594 13.6594 14.3479 14.3479 15.1361 15.1361 15.2203 15.2203 k = 0.0000 0.0000 0.2546 ( 4505 PWs) bands (ev): -16.6652 -16.6652 -16.5250 -16.5250 -8.7565 -8.7565 -8.7547 -8.7547 -8.2133 -8.2133 -6.9890 -6.9890 -6.4833 -6.4833 -6.4639 -6.4639 -4.7921 -4.7921 -3.9432 -3.9432 -3.4934 -3.4934 -3.0271 -3.0271 -3.0124 -3.0124 -1.1967 -1.1967 -1.1472 -1.1472 -1.0457 -1.0457 -0.8976 -0.8976 3.5101 3.5101 5.0539 5.0539 5.8439 5.8439 6.2143 6.2143 7.4434 7.4434 7.6573 7.6573 7.7949 7.7949 7.8388 7.8388 8.1422 8.1422 8.2929 8.2929 8.3646 8.3646 8.5114 8.5114 11.1939 11.1939 13.3147 13.3147 13.7077 13.7077 14.3997 14.3997 15.1710 15.1710 15.2566 15.2566 k = 0.0000 0.0000 0.2777 ( 4491 PWs) bands (ev): -16.6628 -16.6628 -16.5247 -16.5247 -8.7448 -8.7448 -8.7423 -8.7423 -8.2117 -8.2117 -6.9919 -6.9919 -6.4899 -6.4899 -6.4654 -6.4654 -4.7938 -4.7938 -3.9500 -3.9500 -3.5385 -3.5385 -3.0299 -3.0299 -3.0106 -3.0106 -1.2033 -1.2033 -1.1503 -1.1503 -1.0401 -1.0401 -0.8968 -0.8968 3.3981 3.3981 5.1149 5.1149 5.8593 5.8593 6.3015 6.3015 7.4497 7.4497 7.6389 7.6389 7.7595 7.7595 7.8461 7.8461 8.1217 8.1217 8.2962 8.2962 8.3665 8.3665 8.5251 8.5251 11.2558 11.2558 13.3249 13.3249 13.7567 13.7567 14.4558 14.4558 15.2081 15.2081 15.2955 15.2955 k = 0.0000 0.0000 0.3008 ( 4491 PWs) bands (ev): -16.6603 -16.6603 -16.5245 -16.5245 -8.7323 -8.7323 -8.7289 -8.7289 -8.2096 -8.2096 -6.9948 -6.9948 -6.4972 -6.4972 -6.4670 -6.4670 -4.7956 -4.7956 -3.9572 -3.9572 -3.5859 -3.5859 -3.0336 -3.0336 -3.0087 -3.0087 -1.2111 -1.2111 -1.1531 -1.1531 -1.0348 -1.0348 -0.8962 -0.8962 3.2869 3.2869 5.1802 5.1802 5.8748 5.8748 6.3854 6.3854 7.4565 7.4565 7.6199 7.6199 7.7236 7.7236 7.8556 7.8556 8.1044 8.1044 8.2995 8.2995 8.3690 8.3690 8.5377 8.5377 11.3213 11.3213 13.3365 13.3365 13.8058 13.8058 14.5161 14.5161 15.2470 15.2470 15.3368 15.3368 k = 0.0000 0.0000 0.3240 ( 4487 PWs) bands (ev): -16.6576 -16.6576 -16.5242 -16.5242 -8.7193 -8.7193 -8.7144 -8.7144 -8.2069 -8.2069 -6.9978 -6.9978 -6.5050 -6.5050 -6.4688 -6.4688 -4.7976 -4.7976 -3.9649 -3.9649 -3.6354 -3.6354 -3.0381 -3.0381 -3.0068 -3.0068 -1.2200 -1.2200 -1.1556 -1.1556 -1.0299 -1.0299 -0.8959 -0.8959 3.1769 3.1769 5.2491 5.2491 5.8915 5.8915 6.4647 6.4647 7.4635 7.4635 7.6006 7.6006 7.6887 7.6887 7.8661 7.8661 8.0914 8.0914 8.3029 8.3029 8.3721 8.3721 8.5491 8.5491 11.3903 11.3903 13.3497 13.3497 13.8542 13.8542 14.5804 14.5804 15.2871 15.2871 15.3802 15.3802 k = 0.0000 0.0000 0.3471 ( 4495 PWs) bands (ev): -16.6547 -16.6547 -16.5239 -16.5239 -8.7059 -8.7059 -8.6989 -8.6989 -8.2035 -8.2035 -7.0006 -7.0006 -6.5136 -6.5136 -6.4707 -6.4707 -4.7999 -4.7999 -3.9731 -3.9731 -3.6866 -3.6866 -3.0433 -3.0433 -3.0052 -3.0052 -1.2298 -1.2298 -1.1581 -1.1581 -1.0255 -1.0255 -0.8959 -0.8959 3.0683 3.0683 5.3209 5.3209 5.9102 5.9102 6.5385 6.5385 7.4709 7.4709 7.5814 7.5814 7.6553 7.6553 7.8774 7.8774 8.0834 8.0834 8.3062 8.3062 8.3759 8.3759 8.5593 8.5593 11.4625 11.4625 13.3644 13.3644 13.9013 13.9013 14.6484 14.6484 15.3278 15.3278 15.4252 15.4252 k = 0.0000 0.0000 0.3703 ( 4499 PWs) bands (ev): -16.6518 -16.6518 -16.5236 -16.5236 -8.6920 -8.6920 -8.6823 -8.6823 -8.1992 -8.1992 -7.0034 -7.0034 -6.5228 -6.5228 -6.4727 -6.4727 -4.8023 -4.8023 -3.9816 -3.9816 -3.7395 -3.7395 -3.0490 -3.0490 -3.0039 -3.0039 -1.2405 -1.2405 -1.1606 -1.1606 -1.0217 -1.0217 -0.8962 -0.8962 2.9613 2.9613 5.3946 5.3946 5.9318 5.9318 6.6061 6.6061 7.4784 7.4784 7.5626 7.5626 7.6239 7.6239 7.8893 7.8893 8.0811 8.0811 8.3095 8.3095 8.3804 8.3804 8.5685 8.5685 11.5377 11.5377 13.3808 13.3808 13.9465 13.9465 14.7200 14.7200 15.3679 15.3679 15.4715 15.4715 k = 0.0000 0.0000 0.3934 ( 4491 PWs) bands (ev): -16.6487 -16.6487 -16.5233 -16.5233 -8.6780 -8.6780 -8.6646 -8.6646 -8.1939 -8.1939 -7.0060 -7.0060 -6.5326 -6.5326 -6.4748 -6.4748 -4.8049 -4.8049 -3.9905 -3.9905 -3.7937 -3.7937 -3.0554 -3.0554 -3.0030 -3.0030 -1.2518 -1.2518 -1.1632 -1.1632 -1.0186 -1.0186 -0.8970 -0.8970 2.8563 2.8563 5.4691 5.4691 5.9572 5.9572 6.6670 6.6670 7.4860 7.4860 7.5442 7.5442 7.5950 7.5950 7.9017 7.9017 8.0849 8.0849 8.3127 8.3127 8.3858 8.3858 8.5767 8.5767 11.6159 11.6159 13.3987 13.3987 13.9891 13.9891 14.7949 14.7949 15.4063 15.4063 15.5183 15.5183 k = 0.0000 0.0000 0.4165 ( 4485 PWs) bands (ev): -16.6455 -16.6455 -16.5230 -16.5230 -8.6638 -8.6638 -8.6459 -8.6459 -8.1876 -8.1876 -7.0085 -7.0085 -6.5432 -6.5432 -6.4771 -6.4771 -4.8076 -4.8076 -3.9999 -3.9999 -3.8490 -3.8490 -3.0624 -3.0624 -3.0025 -3.0025 -1.2638 -1.2638 -1.1661 -1.1661 -1.0163 -1.0163 -0.8981 -0.8981 2.7533 2.7533 5.5430 5.5430 5.9878 5.9878 6.7210 6.7210 7.4931 7.4931 7.5264 7.5264 7.5693 7.5693 7.9145 7.9145 8.0950 8.0950 8.3158 8.3158 8.3919 8.3919 8.5838 8.5838 11.6968 11.6968 13.4183 13.4183 14.0286 14.0286 14.8728 14.8728 15.4414 15.4414 15.5644 15.5644 k = 0.0000 0.0000 0.4397 ( 4487 PWs) bands (ev): -16.6422 -16.6422 -16.5227 -16.5227 -8.6498 -8.6498 -8.6262 -8.6262 -8.1801 -8.1801 -7.0108 -7.0108 -6.5545 -6.5545 -6.4795 -6.4795 -4.8106 -4.8106 -4.0097 -4.0097 -3.9050 -3.9050 -3.0699 -3.0699 -3.0024 -3.0024 -1.2763 -1.2763 -1.1693 -1.1693 -1.0148 -1.0148 -0.8998 -0.8998 2.6526 2.6526 5.6142 5.6142 6.0252 6.0252 6.7681 6.7681 7.4987 7.4987 7.5091 7.5091 7.5485 7.5485 7.9277 7.9277 8.1112 8.1112 8.3189 8.3189 8.3989 8.3989 8.5901 8.5901 11.7804 11.7804 13.4394 13.4394 14.0641 14.0641 14.9535 14.9535 15.4715 15.4715 15.6065 15.6065 k = 0.0000 0.0000 0.4628 ( 4477 PWs) bands (ev): -16.6389 -16.6389 -16.5224 -16.5224 -8.6359 -8.6359 -8.6054 -8.6054 -8.1712 -8.1712 -7.0128 -7.0128 -6.5666 -6.5666 -6.4820 -6.4820 -4.8138 -4.8138 -4.0201 -4.0201 -3.9616 -3.9616 -3.0780 -3.0780 -3.0028 -3.0028 -1.2893 -1.2893 -1.1729 -1.1729 -1.0142 -1.0142 -0.9019 -0.9019 2.5542 2.5542 5.6809 5.6809 6.0711 6.0711 6.8087 6.8087 7.4916 7.4916 7.5003 7.5003 7.5362 7.5362 7.9412 7.9412 8.1331 8.1331 8.3220 8.3220 8.4068 8.4068 8.5955 8.5955 11.8664 11.8664 13.4620 13.4620 14.0951 14.0951 15.0367 15.0367 15.4950 15.4950 15.6368 15.6368 k = 0.0000 0.0000 0.4860 ( 4487 PWs) bands (ev): -16.6354 -16.6354 -16.5221 -16.5221 -8.6224 -8.6224 -8.5835 -8.5835 -8.1608 -8.1608 -7.0145 -7.0145 -6.5794 -6.5794 -6.4847 -6.4847 -4.8171 -4.8171 -4.0327 -4.0327 -4.0169 -4.0169 -3.0866 -3.0866 -3.0037 -3.0037 -1.3027 -1.3027 -1.1770 -1.1770 -1.0146 -1.0146 -0.9046 -0.9046 2.4584 2.4584 5.7413 5.7413 6.1269 6.1269 6.8433 6.8433 7.4749 7.4749 7.4942 7.4942 7.5352 7.5352 7.9551 7.9551 8.1600 8.1600 8.3254 8.3254 8.4156 8.4156 8.6002 8.6002 11.9546 11.9546 13.4860 13.4860 14.1208 14.1208 15.1218 15.1218 15.5107 15.5107 15.6476 15.6476 k = 0.0000 0.0000 0.5091 ( 4489 PWs) bands (ev): -16.6320 -16.6320 -16.5218 -16.5218 -8.6093 -8.6093 -8.5607 -8.5607 -8.1488 -8.1488 -7.0160 -7.0160 -6.5931 -6.5931 -6.4876 -6.4876 -4.8207 -4.8207 -4.0778 -4.0778 -4.0403 -4.0403 -3.0957 -3.0957 -3.0050 -3.0050 -1.3164 -1.3164 -1.1816 -1.1816 -1.0159 -1.0159 -0.9077 -0.9077 2.3652 2.3652 5.7945 5.7945 6.1932 6.1932 6.8727 6.8727 7.4592 7.4592 7.4854 7.4854 7.5408 7.5408 7.9692 7.9692 8.1908 8.1908 8.3292 8.3292 8.4253 8.4253 8.6041 8.6041 12.0450 12.0450 13.5113 13.5113 14.1405 14.1405 15.2084 15.2084 15.5179 15.5179 15.6412 15.6412 k = 0.0000 0.0000 0.5323 ( 4485 PWs) bands (ev): -16.6284 -16.6284 -16.5215 -16.5215 -8.5969 -8.5969 -8.5368 -8.5368 -8.1352 -8.1352 -7.0172 -7.0172 -6.6075 -6.6075 -6.4906 -6.4906 -4.8244 -4.8244 -4.1348 -4.1348 -4.0523 -4.0523 -3.1053 -3.1053 -3.0068 -3.0068 -1.3303 -1.3303 -1.1867 -1.1867 -1.0183 -1.0183 -0.9113 -0.9113 2.2747 2.2747 5.8411 5.8411 6.2692 6.2692 6.8976 6.8976 7.4451 7.4451 7.4776 7.4776 7.5487 7.5487 7.9836 7.9836 8.2238 8.2238 8.3344 8.3344 8.4360 8.4360 8.6075 8.6075 12.1372 12.1372 13.5378 13.5378 14.1535 14.1535 15.2954 15.2954 15.5170 15.5170 15.6248 15.6248 k = 0.0000 0.0000 0.5554 ( 4487 PWs) bands (ev): -16.6249 -16.6249 -16.5212 -16.5212 -8.5851 -8.5851 -8.5119 -8.5119 -8.1198 -8.1198 -7.0180 -7.0180 -6.6229 -6.6229 -6.4938 -6.4938 -4.8282 -4.8282 -4.1919 -4.1919 -4.0645 -4.0645 -3.1152 -3.1152 -3.0091 -3.0091 -1.3445 -1.3445 -1.1925 -1.1925 -1.0218 -1.0218 -0.9154 -0.9154 2.1871 2.1871 5.8821 5.8821 6.3531 6.3531 6.9190 6.9190 7.4331 7.4331 7.4718 7.4718 7.5576 7.5576 7.9982 7.9982 8.2561 8.2561 8.3428 8.3428 8.4477 8.4477 8.6103 8.6103 12.2309 12.2309 13.5654 13.5654 14.1591 14.1591 15.3807 15.3807 15.5091 15.5091 15.6045 15.6045 k = 0.0000 0.0000 0.5785 ( 4487 PWs) bands (ev): -16.6213 -16.6213 -16.5209 -16.5209 -8.5741 -8.5741 -8.4860 -8.4860 -8.1026 -8.1026 -7.0185 -7.0185 -6.6391 -6.6391 -6.4972 -6.4972 -4.8323 -4.8323 -4.2487 -4.2487 -4.0772 -4.0772 -3.1255 -3.1255 -3.0119 -3.0119 -1.3587 -1.3587 -1.1988 -1.1988 -1.0264 -1.0264 -0.9198 -0.9198 2.1023 2.1023 5.9192 5.9192 6.4428 6.4428 6.9378 6.9378 7.4235 7.4235 7.4685 7.4685 7.5670 7.5670 8.0131 8.0131 8.2828 8.2828 8.3587 8.3587 8.4604 8.4604 8.6127 8.6127 12.3258 12.3258 13.5940 13.5940 14.1570 14.1570 15.4515 15.4515 15.5033 15.5033 15.5878 15.5878 k = 0.0000 0.0000 0.6017 ( 4481 PWs) bands (ev): -16.6178 -16.6178 -16.5206 -16.5206 -8.5639 -8.5639 -8.4592 -8.4592 -8.0838 -8.0838 -7.0187 -7.0187 -6.6563 -6.6563 -6.5008 -6.5008 -4.8364 -4.8364 -4.3048 -4.3048 -4.0903 -4.0903 -3.1360 -3.1360 -3.0151 -3.0151 -1.3730 -1.3730 -1.2057 -1.2057 -1.0321 -1.0321 -0.9245 -0.9245 2.0206 2.0206 5.9537 5.9537 6.5364 6.5364 6.9549 6.9549 7.4165 7.4165 7.4677 7.4677 7.5767 7.5767 8.0282 8.0282 8.2993 8.2993 8.3855 8.3855 8.4741 8.4741 8.6147 8.6147 12.4215 12.4215 13.6232 13.6232 14.1472 14.1472 15.4549 15.4549 15.5274 15.5274 15.6023 15.6023 k = 0.0000 0.0000 0.6248 ( 4489 PWs) bands (ev): -16.6142 -16.6142 -16.5204 -16.5204 -8.5546 -8.5546 -8.4313 -8.4313 -8.0631 -8.0631 -7.0186 -7.0186 -6.6744 -6.6744 -6.5045 -6.5045 -4.8407 -4.8407 -4.3603 -4.3603 -4.1040 -4.1040 -3.1468 -3.1468 -3.0188 -3.0188 -1.3872 -1.3872 -1.2133 -1.2133 -1.0389 -1.0389 -0.9295 -0.9295 1.9419 1.9419 5.9864 5.9864 6.6319 6.6319 6.9715 6.9715 7.4121 7.4121 7.4696 7.4696 7.5865 7.5865 8.0436 8.0436 8.3075 8.3075 8.4203 8.4203 8.4892 8.4892 8.6166 8.6166 12.5172 12.5172 13.6531 13.6531 14.1302 14.1302 15.4271 15.4271 15.5247 15.5247 15.6694 15.6694 k = 0.0000 0.0000 0.6480 ( 4498 PWs) bands (ev): -16.6107 -16.6107 -16.5201 -16.5201 -8.5461 -8.5461 -8.4025 -8.4025 -8.0409 -8.0409 -7.0181 -7.0181 -6.6936 -6.6936 -6.5086 -6.5086 -4.8451 -4.8451 -4.4147 -4.4147 -4.1183 -4.1183 -3.1577 -3.1577 -3.0229 -3.0229 -1.4014 -1.4014 -1.2214 -1.2214 -1.0469 -1.0469 -0.9346 -0.9346 1.8663 1.8663 6.0181 6.0181 6.7268 6.7268 6.9891 6.9891 7.4101 7.4101 7.4743 7.4743 7.5965 7.5965 8.0594 8.0594 8.3117 8.3117 8.4578 8.4578 8.5061 8.5061 8.6183 8.6183 12.6124 12.6124 13.6834 13.6834 14.1069 14.1069 15.3904 15.3904 15.5155 15.5155 15.7456 15.7456 k = 0.0000 0.0000 0.6711 ( 4492 PWs) bands (ev): -16.6072 -16.6072 -16.5198 -16.5198 -8.5384 -8.5384 -8.3728 -8.3728 -8.0171 -8.0171 -7.0173 -7.0173 -6.7137 -6.7137 -6.5128 -6.5128 -4.8496 -4.8496 -4.4680 -4.4680 -4.1332 -4.1332 -3.1686 -3.1686 -3.0274 -3.0274 -1.4154 -1.4154 -1.2300 -1.2300 -1.0560 -1.0560 -0.9398 -0.9398 1.7938 1.7938 6.0491 6.0491 6.8170 6.8170 7.0114 7.0114 7.4107 7.4107 7.4819 7.4819 7.6064 7.6064 8.0756 8.0756 8.3139 8.3139 8.4932 8.4932 8.5270 8.5270 8.6202 8.6202 12.7060 12.7060 13.7140 13.7140 14.0789 14.0789 15.3472 15.3472 15.5095 15.5095 15.8161 15.8161 k = 0.0000 0.0000 0.6942 ( 4490 PWs) bands (ev): -16.6037 -16.6037 -16.5196 -16.5196 -8.5314 -8.5314 -8.3421 -8.3421 -7.9919 -7.9919 -7.0162 -7.0162 -6.7349 -6.7349 -6.5173 -6.5173 -4.8542 -4.8542 -4.5199 -4.5199 -4.1486 -4.1486 -3.1795 -3.1795 -3.0323 -3.0323 -1.4292 -1.4292 -1.2391 -1.2391 -1.0661 -1.0661 -0.9449 -0.9449 1.7244 1.7244 6.0797 6.0797 6.8933 6.8933 7.0467 7.0467 7.4135 7.4135 7.4925 7.4925 7.6164 7.6164 8.0924 8.0924 8.3150 8.3150 8.5209 8.5209 8.5559 8.5559 8.6223 8.6223 12.7967 12.7967 13.7446 13.7446 14.0485 14.0485 15.2984 15.2984 15.5078 15.5078 15.8737 15.8737 k = 0.0000 0.0000 0.7174 ( 4494 PWs) bands (ev): -16.6004 -16.6004 -16.5193 -16.5193 -8.5251 -8.5251 -8.3106 -8.3106 -7.9655 -7.9655 -7.0150 -7.0150 -6.7571 -6.7571 -6.5221 -6.5221 -4.8589 -4.8589 -4.5704 -4.5704 -4.1646 -4.1646 -3.1903 -3.1903 -3.0376 -3.0376 -1.4427 -1.4427 -1.2487 -1.2487 -1.0773 -1.0773 -0.9501 -0.9501 1.6582 1.6582 6.1101 6.1101 6.9437 6.9437 7.1065 7.1065 7.4184 7.4184 7.5060 7.5060 7.6264 7.6264 8.1098 8.1098 8.3155 8.3155 8.5419 8.5419 8.5910 8.5910 8.6251 8.6251 12.8826 12.8826 13.7750 13.7750 14.0182 14.0182 15.2448 15.2448 15.5101 15.5101 15.9113 15.9113 k = 0.0000 0.0000 0.7405 ( 4490 PWs) bands (ev): -16.5970 -16.5970 -16.5191 -16.5191 -8.5194 -8.5194 -8.2781 -8.2781 -7.9379 -7.9379 -7.0135 -7.0135 -6.7803 -6.7803 -6.5271 -6.5271 -4.8636 -4.8636 -4.6193 -4.6193 -4.1811 -4.1811 -3.2009 -3.2009 -3.0431 -3.0431 -1.4559 -1.4559 -1.2585 -1.2585 -1.0893 -1.0893 -0.9551 -0.9551 1.5952 1.5952 6.1403 6.1403 6.9712 6.9712 7.1868 7.1868 7.4253 7.4253 7.5224 7.5224 7.6363 7.6363 8.1282 8.1282 8.3155 8.3155 8.5603 8.5603 8.6247 8.6247 8.6316 8.6316 12.9613 12.9613 13.8050 13.8050 13.9916 13.9916 15.1870 15.1870 15.5156 15.5156 15.9237 15.9237 k = 0.0000 0.0000 0.7637 ( 4498 PWs) bands (ev): -16.5938 -16.5938 -16.5189 -16.5189 -8.5143 -8.5143 -8.2448 -8.2448 -7.9095 -7.9095 -7.0119 -7.0119 -6.8045 -6.8045 -6.5324 -6.5324 -4.8684 -4.8684 -4.6663 -4.6663 -4.1981 -4.1981 -3.2113 -3.2113 -3.0489 -3.0489 -1.4686 -1.4686 -1.2687 -1.2687 -1.1022 -1.1022 -0.9600 -0.9600 1.5354 1.5354 6.1702 6.1702 6.9877 6.9877 7.2751 7.2751 7.4338 7.4338 7.5416 7.5416 7.6461 7.6461 8.1477 8.1477 8.3153 8.3153 8.5775 8.5775 8.6327 8.6327 8.6644 8.6644 13.0299 13.0299 13.8344 13.8344 13.9726 13.9726 15.1258 15.1258 15.5232 15.5232 15.9107 15.9107 k = 0.0000 0.0000 0.7868 ( 4502 PWs) bands (ev): -16.5907 -16.5907 -16.5187 -16.5187 -8.5097 -8.5097 -8.2106 -8.2106 -7.8803 -7.8803 -7.0105 -7.0105 -6.8296 -6.8296 -6.5381 -6.5381 -4.8733 -4.8733 -4.7114 -4.7114 -4.2155 -4.2155 -3.2213 -3.2213 -3.0549 -3.0549 -1.4809 -1.4809 -1.2790 -1.2790 -1.1158 -1.1158 -0.9647 -0.9647 1.4787 1.4787 6.1999 6.1999 6.9994 6.9994 7.3644 7.3644 7.4437 7.4437 7.5634 7.5634 7.6558 7.6558 8.1685 8.1685 8.3148 8.3148 8.5933 8.5933 8.6402 8.6402 8.6987 8.6987 13.0848 13.0848 13.8628 13.8628 13.9654 13.9654 15.0618 15.0618 15.5321 15.5321 15.8774 15.8774 k = 0.0000 0.0000 0.8100 ( 4506 PWs) bands (ev): -16.5877 -16.5877 -16.5185 -16.5185 -8.5056 -8.5056 -8.1756 -8.1756 -7.8506 -7.8506 -7.0092 -7.0092 -6.8554 -6.8554 -6.5440 -6.5440 -4.8783 -4.8783 -4.7543 -4.7543 -4.2332 -4.2332 -3.2309 -3.2309 -3.0611 -3.0611 -1.4926 -1.4926 -1.2894 -1.2894 -1.1299 -1.1299 -0.9692 -0.9692 1.4252 1.4252 6.2292 6.2292 7.0085 7.0085 7.4512 7.4512 7.4547 7.4547 7.5875 7.5875 7.6655 7.6655 8.1910 8.1910 8.3143 8.3143 8.6069 8.6069 8.6510 8.6510 8.7313 8.7313 13.1230 13.1230 13.8901 13.8901 13.9736 13.9736 14.9957 14.9957 15.5413 15.5413 15.8299 15.8299 k = 0.0000 0.0000 0.8331 ( 4510 PWs) bands (ev): -16.5848 -16.5848 -16.5183 -16.5183 -8.5018 -8.5018 -8.1398 -8.1398 -7.8206 -7.8206 -7.0087 -7.0087 -6.8816 -6.8816 -6.5502 -6.5502 -4.8836 -4.8836 -4.7947 -4.7947 -4.2512 -4.2512 -3.2400 -3.2400 -3.0675 -3.0675 -1.5038 -1.5038 -1.2997 -1.2997 -1.1444 -1.1444 -0.9736 -0.9736 1.3749 1.3749 6.2580 6.2580 7.0161 7.0161 7.4664 7.4664 7.5338 7.5338 7.6133 7.6133 7.6753 7.6753 8.2156 8.2156 8.3136 8.3136 8.6178 8.6178 8.6661 8.6661 8.7619 8.7619 13.1430 13.1430 13.9167 13.9167 13.9984 13.9984 14.9282 14.9282 15.5499 15.5499 15.7737 15.7737 k = 0.0000 0.0000 0.8562 ( 4518 PWs) bands (ev): -16.5820 -16.5820 -16.5182 -16.5182 -8.4985 -8.4985 -8.1033 -8.1033 -7.7904 -7.7904 -7.0097 -7.0097 -6.9072 -6.9072 -6.5567 -6.5567 -4.8897 -4.8897 -4.8321 -4.8321 -4.2692 -4.2692 -3.2487 -3.2487 -3.0739 -3.0739 -1.5143 -1.5143 -1.3099 -1.3099 -1.1591 -1.1591 -0.9778 -0.9778 1.3277 1.3277 6.2863 6.2863 7.0226 7.0226 7.4785 7.4785 7.6101 7.6101 7.6403 7.6403 7.6860 7.6860 8.2423 8.2423 8.3130 8.3130 8.6270 8.6270 8.6847 8.6847 8.7905 8.7905 13.1457 13.1457 13.9429 13.9429 14.0384 14.0384 14.8602 14.8602 15.5564 15.5564 15.7137 15.7137 k = 0.0000 0.0000 0.8794 ( 4522 PWs) bands (ev): -16.5794 -16.5794 -16.5180 -16.5180 -8.4954 -8.4954 -8.0661 -8.0661 -7.7604 -7.7604 -7.0140 -7.0140 -6.9307 -6.9307 -6.5635 -6.5635 -4.8989 -4.8989 -4.8639 -4.8639 -4.2873 -4.2873 -3.2567 -3.2567 -3.0802 -3.0802 -1.5242 -1.5242 -1.3199 -1.3199 -1.1740 -1.1740 -0.9817 -0.9817 1.2837 1.2837 6.3138 6.3138 7.0282 7.0282 7.4908 7.4908 7.6649 7.6649 7.6780 7.6780 7.7015 7.7015 8.2712 8.2712 8.3125 8.3125 8.6354 8.6354 8.7061 8.7061 8.8170 8.8170 13.1343 13.1343 13.9685 13.9685 14.0906 14.0906 14.7923 14.7923 15.5566 15.5566 15.6566 15.6566 k = 0.0000 0.0000 0.9025 ( 4520 PWs) bands (ev): -16.5769 -16.5769 -16.5179 -16.5179 -8.4927 -8.4927 -8.0281 -8.0281 -7.7306 -7.7306 -7.0247 -7.0247 -6.9488 -6.9488 -6.5706 -6.5706 -4.9179 -4.9179 -4.8836 -4.8836 -4.3051 -4.3051 -3.2642 -3.2642 -3.0866 -3.0866 -1.5335 -1.5335 -1.3295 -1.3295 -1.1889 -1.1889 -0.9854 -0.9854 1.2428 1.2428 6.3405 6.3405 7.0333 7.0333 7.5029 7.5029 7.6852 7.6852 7.7131 7.7131 7.7473 7.7473 8.3003 8.3003 8.3141 8.3141 8.6438 8.6438 8.7296 8.7296 8.8414 8.8414 13.1127 13.1127 13.9928 13.9928 14.1510 14.1510 14.7256 14.7256 15.5344 15.5344 15.6204 15.6204 k = 0.0000 0.0000 0.9257 ( 4528 PWs) bands (ev): -16.5746 -16.5746 -16.5177 -16.5177 -8.4902 -8.4902 -7.9896 -7.9896 -7.7015 -7.7015 -7.0442 -7.0442 -6.9593 -6.9593 -6.5778 -6.5778 -4.9450 -4.9450 -4.8924 -4.8924 -4.3227 -4.3227 -3.2711 -3.2711 -3.0928 -3.0928 -1.5420 -1.5420 -1.3386 -1.3386 -1.2036 -1.2036 -0.9889 -0.9889 1.2050 1.2050 6.3661 6.3661 7.0377 7.0377 7.5146 7.5146 7.6975 7.6975 7.7404 7.7404 7.8006 7.8006 8.3089 8.3089 8.3379 8.3379 8.6527 8.6527 8.7551 8.7551 8.8638 8.8638 13.0844 13.0844 14.0157 14.0157 14.2155 14.2155 14.6610 14.6610 15.4825 15.4825 15.6145 15.6145 k = 0.0000 0.0000 0.9488 ( 4526 PWs) bands (ev): -16.5724 -16.5724 -16.5176 -16.5176 -8.4879 -8.4879 -7.9504 -7.9504 -7.6731 -7.6731 -7.0711 -7.0711 -6.9635 -6.9635 -6.5851 -6.5851 -4.9729 -4.9729 -4.8978 -4.8978 -4.3397 -4.3397 -3.2774 -3.2774 -3.0989 -3.0989 -1.5498 -1.5498 -1.3472 -1.3472 -1.2180 -1.2180 -0.9922 -0.9922 1.1703 1.1703 6.3906 6.3906 7.0418 7.0418 7.5256 7.5256 7.7064 7.7064 7.7697 7.7697 7.8469 7.8469 8.3088 8.3088 8.3713 8.3713 8.6620 8.6620 8.7824 8.7824 8.8842 8.8842 13.0524 13.0524 14.0369 14.0369 14.2795 14.2795 14.6002 14.6002 15.4206 15.4206 15.6209 15.6209 k = 0.0000 0.0000 0.9719 ( 4526 PWs) bands (ev): -16.5704 -16.5704 -16.5175 -16.5175 -8.4859 -8.4859 -7.9107 -7.9107 -7.6459 -7.6459 -7.1023 -7.1023 -6.9645 -6.9645 -6.5926 -6.5926 -4.9991 -4.9991 -4.9022 -4.9022 -4.3561 -4.3561 -3.2831 -3.2831 -3.1047 -3.1047 -1.5569 -1.5569 -1.3552 -1.3552 -1.2319 -1.2319 -0.9952 -0.9952 1.1386 1.1386 6.4137 6.4137 7.0454 7.0454 7.5357 7.5357 7.7138 7.7138 7.7992 7.7992 7.8861 7.8861 8.3083 8.3083 8.4047 8.4047 8.6718 8.6718 8.8113 8.8113 8.9027 8.9027 13.0189 13.0189 14.0565 14.0565 14.3375 14.3375 14.5468 14.5468 15.3577 15.3577 15.6322 15.6322 k = 0.0000 0.0000 0.9951 ( 4530 PWs) bands (ev): -16.5685 -16.5685 -16.5174 -16.5174 -8.4841 -8.4841 -7.8705 -7.8705 -7.6200 -7.6200 -7.1363 -7.1363 -6.9638 -6.9638 -6.5999 -6.5999 -5.0232 -5.0232 -4.9059 -4.9059 -4.3716 -4.3716 -3.2881 -3.2881 -3.1102 -3.1102 -1.5633 -1.5633 -1.3624 -1.3624 -1.2452 -1.2452 -0.9979 -0.9979 1.1101 1.1101 6.4352 6.4352 7.0486 7.0486 7.5448 7.5448 7.7202 7.7202 7.8279 7.8279 7.9189 7.9189 8.3077 8.3077 8.4366 8.4366 8.6820 8.6820 8.8411 8.8411 8.9197 8.9197 12.9856 12.9856 14.0744 14.0744 14.3766 14.3766 14.5121 14.5121 15.2966 15.2966 15.6469 15.6469 k = 0.0000 0.0000 1.0182 ( 4522 PWs) bands (ev): -16.5669 -16.5669 -16.5173 -16.5173 -8.4824 -8.4824 -7.8298 -7.8298 -7.5957 -7.5957 -7.1720 -7.1720 -6.9623 -6.9623 -6.6072 -6.6072 -5.0449 -5.0449 -4.9092 -4.9092 -4.3860 -4.3860 -3.2925 -3.2925 -3.1153 -3.1153 -1.5689 -1.5689 -1.3689 -1.3689 -1.2578 -1.2578 -1.0004 -1.0004 1.0845 1.0845 6.4551 6.4551 7.0515 7.0515 7.5529 7.5529 7.7259 7.7259 7.8552 7.8552 7.9459 7.9459 8.3071 8.3071 8.4659 8.4659 8.6923 8.6923 8.8710 8.8710 8.9355 8.9355 12.9535 12.9535 14.0905 14.0905 14.3732 14.3732 14.5185 14.5185 15.2389 15.2389 15.6648 15.6648 k = 0.0000 0.0000 1.0414 ( 4518 PWs) bands (ev): -16.5654 -16.5654 -16.5173 -16.5173 -8.4810 -8.4810 -7.7888 -7.7888 -7.5733 -7.5733 -7.2091 -7.2091 -6.9606 -6.9606 -6.6141 -6.6141 -5.0641 -5.0641 -4.9121 -4.9121 -4.3993 -4.3993 -3.2964 -3.2964 -3.1201 -3.1201 -1.5738 -1.5738 -1.3745 -1.3745 -1.2694 -1.2694 -1.0026 -1.0026 1.0621 1.0621 6.4732 6.4732 7.0540 7.0540 7.5599 7.5599 7.7309 7.7309 7.8804 7.8804 7.9683 7.9683 8.3066 8.3066 8.4918 8.4918 8.7024 8.7024 8.8991 8.8991 8.9511 8.9511 12.9237 12.9237 14.1048 14.1048 14.3404 14.3404 14.5525 14.5525 15.1854 15.1854 15.6857 15.6857 k = 0.0000 0.0000 1.0645 ( 4522 PWs) bands (ev): -16.5641 -16.5641 -16.5172 -16.5172 -8.4798 -8.4798 -7.7475 -7.7475 -7.5532 -7.5532 -7.2473 -7.2473 -6.9588 -6.9588 -6.6206 -6.6206 -5.0808 -5.0808 -4.9146 -4.9146 -4.4111 -4.4111 -3.2997 -3.2997 -3.1243 -3.1243 -1.5781 -1.5781 -1.3793 -1.3793 -1.2800 -1.2800 -1.0045 -1.0045 1.0426 1.0426 6.4892 6.4892 7.0562 7.0562 7.5657 7.5657 7.7351 7.7351 7.9031 7.9031 7.9866 7.9866 8.3062 8.3062 8.5141 8.5141 8.7121 8.7121 8.9231 8.9231 8.9679 8.9679 12.8968 12.8968 14.1173 14.1173 14.3023 14.3023 14.5899 14.5899 15.1370 15.1370 15.7087 15.7087 k = 0.0000 0.0000 1.0877 ( 4530 PWs) bands (ev): -16.5630 -16.5630 -16.5172 -16.5172 -8.4788 -8.4788 -7.7060 -7.7060 -7.5355 -7.5355 -7.2862 -7.2862 -6.9571 -6.9571 -6.6265 -6.6265 -5.0949 -5.0949 -4.9168 -4.9168 -4.4214 -4.4214 -3.3024 -3.3024 -3.1280 -3.1280 -1.5816 -1.5816 -1.3832 -1.3832 -1.2894 -1.2894 -1.0062 -1.0062 1.0262 1.0262 6.5031 6.5031 7.0581 7.0581 7.5705 7.5705 7.7387 7.7387 7.9228 7.9228 8.0014 8.0014 8.3058 8.3058 8.5326 8.5326 8.7210 8.7210 8.9407 8.9407 8.9871 8.9871 12.8733 12.8733 14.1279 14.1279 14.2668 14.2668 14.6231 14.6231 15.0944 15.0944 15.7328 15.7328 k = 0.0000 0.0000 1.1108 ( 4534 PWs) bands (ev): -16.5621 -16.5621 -16.5171 -16.5171 -8.4780 -8.4780 -7.6645 -7.6645 -7.5206 -7.5206 -7.3257 -7.3257 -6.9555 -6.9555 -6.6316 -6.6316 -5.1065 -5.1065 -4.9185 -4.9185 -4.4301 -4.4301 -3.3046 -3.3046 -3.1311 -3.1311 -1.5845 -1.5845 -1.3863 -1.3863 -1.2973 -1.2973 -1.0076 -1.0076 1.0127 1.0127 6.5146 6.5146 7.0596 7.0596 7.5743 7.5743 7.7417 7.7417 7.9393 7.9393 8.0133 8.0133 8.3055 8.3055 8.5475 8.5475 8.7288 8.7288 8.9525 8.9525 9.0070 9.0070 12.8536 12.8536 14.1366 14.1366 14.2361 14.2361 14.6505 14.6505 15.0583 15.0583 15.7564 15.7564 k = 0.0000 0.0000 1.1339 ( 4542 PWs) bands (ev): -16.5614 -16.5614 -16.5171 -16.5171 -8.4773 -8.4773 -7.6232 -7.6232 -7.5087 -7.5087 -7.3656 -7.3656 -6.9543 -6.9543 -6.6358 -6.6358 -5.1155 -5.1155 -4.9199 -4.9199 -4.4369 -4.4369 -3.3062 -3.3062 -3.1335 -3.1335 -1.5867 -1.5867 -1.3886 -1.3886 -1.3037 -1.3037 -1.0086 -1.0086 1.0023 1.0023 6.5237 6.5237 7.0608 7.0608 7.5772 7.5772 7.7440 7.7440 7.9522 7.9522 8.0225 8.0225 8.3052 8.3052 8.5587 8.5587 8.7352 8.7352 8.9603 8.9603 9.0250 9.0250 12.8380 12.8380 14.1434 14.1434 14.2115 14.2115 14.6716 14.6716 15.0292 15.0292 15.7776 15.7776 k = 0.0000 0.0000 1.1571 ( 4522 PWs) bands (ev): -16.5609 -16.5609 -16.5171 -16.5171 -8.4768 -8.4768 -7.5826 -7.5826 -7.5001 -7.5001 -7.4052 -7.4052 -6.9533 -6.9533 -6.6390 -6.6390 -5.1219 -5.1219 -4.9209 -4.9209 -4.4419 -4.4419 -3.3074 -3.3074 -3.1353 -3.1353 -1.5883 -1.5883 -1.3902 -1.3902 -1.3084 -1.3084 -1.0094 -1.0094 0.9948 0.9948 6.5303 6.5303 7.0617 7.0617 7.5792 7.5792 7.7456 7.7456 7.9615 7.9615 8.0290 8.0290 8.3051 8.3051 8.5667 8.5667 8.7400 8.7400 8.9653 8.9653 9.0389 9.0389 12.8267 12.8267 14.1484 14.1484 14.1936 14.1936 14.6866 14.6866 15.0079 15.0079 15.7945 15.7945 k = 0.0000 0.0000 1.1802 ( 4526 PWs) bands (ev): -16.5606 -16.5606 -16.5170 -16.5170 -8.4766 -8.4766 -7.5446 -7.5446 -7.4948 -7.4948 -7.4426 -7.4426 -6.9527 -6.9527 -6.6409 -6.6409 -5.1258 -5.1258 -4.9215 -4.9215 -4.4449 -4.4449 -3.3081 -3.3081 -3.1364 -3.1364 -1.5892 -1.5892 -1.3911 -1.3911 -1.3113 -1.3113 -1.0098 -1.0098 0.9903 0.9903 6.5343 6.5343 7.0622 7.0622 7.5804 7.5804 7.7466 7.7466 7.9671 7.9671 8.0329 8.0329 8.3050 8.3050 8.5714 8.5714 8.7429 8.7429 8.9681 8.9681 9.0477 9.0477 12.8198 12.8198 14.1513 14.1513 14.1826 14.1826 14.6956 14.6956 14.9948 14.9948 15.8053 15.8053 k = 0.0000 0.0000 1.2034 ( 4516 PWs) bands (ev): -16.5605 -16.5605 -16.5170 -16.5170 -8.4765 -8.4765 -7.5225 -7.5225 -7.4929 -7.4929 -7.4646 -7.4646 -6.9525 -6.9525 -6.6415 -6.6415 -5.1271 -5.1271 -4.9217 -4.9217 -4.4459 -4.4459 -3.3083 -3.3083 -3.1367 -3.1367 -1.5895 -1.5895 -1.3914 -1.3914 -1.3123 -1.3123 -1.0100 -1.0100 0.9888 0.9888 6.5357 6.5357 7.0624 7.0624 7.5808 7.5808 7.7469 7.7469 7.9689 7.9689 8.0343 8.0343 8.3049 8.3049 8.5729 8.5729 8.7439 8.7439 8.9690 8.9690 9.0507 9.0507 12.8176 12.8176 14.1523 14.1523 14.1789 14.1789 14.6986 14.6986 14.9904 14.9904 15.8091 15.8091 k = 0.0000 0.0000 1.2034 ( 4516 PWs) bands (ev): -16.5605 -16.5605 -16.5170 -16.5170 -8.4765 -8.4765 -7.5225 -7.5225 -7.4929 -7.4929 -7.4646 -7.4646 -6.9525 -6.9525 -6.6415 -6.6415 -5.1271 -5.1271 -4.9217 -4.9217 -4.4459 -4.4459 -3.3083 -3.3083 -3.1367 -3.1367 -1.5895 -1.5895 -1.3914 -1.3914 -1.3123 -1.3123 -1.0100 -1.0100 0.9888 0.9888 6.5357 6.5357 7.0624 7.0624 7.5808 7.5808 7.7469 7.7469 7.9689 7.9689 8.0343 8.0343 8.3049 8.3049 8.5729 8.5729 8.7439 8.7439 8.9690 8.9690 9.0507 9.0507 12.8176 12.8176 14.1523 14.1523 14.1789 14.1789 14.6986 14.6986 14.9904 14.9904 15.8091 15.8091 k =-0.0087 0.0190 1.2034 ( 4526 PWs) bands (ev): -16.5605 -16.5605 -16.5171 -16.5171 -8.4765 -8.4765 -7.5415 -7.5415 -7.4945 -7.4945 -7.4458 -7.4458 -6.9527 -6.9527 -6.6408 -6.6408 -5.1260 -5.1260 -4.9215 -4.9215 -4.4448 -4.4448 -3.3080 -3.3080 -3.1367 -3.1367 -1.5889 -1.5889 -1.3911 -1.3911 -1.3121 -1.3121 -1.0100 -1.0100 0.9902 0.9902 6.5351 6.5351 7.0622 7.0622 7.5806 7.5806 7.7466 7.7466 7.9682 7.9682 8.0327 8.0327 8.3041 8.3041 8.5715 8.5715 8.7437 8.7437 8.9684 8.9684 9.0476 9.0476 12.8204 12.8204 14.1368 14.1368 14.1967 14.1967 14.6951 14.6951 14.9892 14.9892 15.8145 15.8145 k =-0.0174 0.0381 1.2034 ( 4514 PWs) bands (ev): -16.5605 -16.5605 -16.5173 -16.5173 -8.4767 -8.4767 -7.5753 -7.5753 -7.4994 -7.4994 -7.4125 -7.4125 -6.9532 -6.9532 -6.6386 -6.6386 -5.1229 -5.1229 -4.9210 -4.9210 -4.4416 -4.4416 -3.3072 -3.3072 -3.1365 -3.1365 -1.5871 -1.5871 -1.3902 -1.3902 -1.3115 -1.3115 -1.0101 -1.0101 0.9941 0.9941 6.5333 6.5333 7.0615 7.0615 7.5799 7.5799 7.7458 7.7458 7.9662 7.9662 8.0280 8.0280 8.3016 8.3016 8.5673 8.5673 8.7432 8.7432 8.9666 8.9666 9.0387 9.0387 12.8287 12.8287 14.1149 14.1149 14.2252 14.2252 14.6845 14.6845 14.9860 14.9860 15.8303 15.8303 k =-0.0261 0.0571 1.2034 ( 4518 PWs) bands (ev): -16.5606 -16.5606 -16.5177 -16.5177 -8.4770 -8.4770 -7.6118 -7.6118 -7.5077 -7.5077 -7.3767 -7.3767 -6.9541 -6.9541 -6.6350 -6.6350 -5.1176 -5.1176 -4.9201 -4.9201 -4.4363 -4.4363 -3.3057 -3.3057 -3.1362 -3.1362 -1.5841 -1.5841 -1.3887 -1.3887 -1.3105 -1.3105 -1.0103 -1.0103 1.0007 1.0007 6.5305 6.5305 7.0605 7.0605 7.5788 7.5788 7.7444 7.7444 7.9627 7.9627 8.0204 8.0204 8.2977 8.2977 8.5599 8.5599 8.7422 8.7422 8.9634 8.9634 9.0243 9.0243 12.8426 12.8426 14.0942 14.0942 14.2565 14.2565 14.6666 14.6666 14.9822 14.9822 15.8556 15.8556 k =-0.0348 0.0761 1.2034 ( 4522 PWs) bands (ev): -16.5607 -16.5607 -16.5182 -16.5182 -8.4774 -8.4774 -7.6491 -7.6491 -7.5190 -7.5190 -7.3404 -7.3404 -6.9552 -6.9552 -6.6302 -6.6302 -5.1103 -5.1103 -4.9188 -4.9188 -4.4290 -4.4290 -3.3037 -3.3037 -3.1359 -3.1359 -1.5800 -1.5800 -1.3867 -1.3867 -1.3091 -1.3091 -1.0106 -1.0106 1.0099 1.0099 6.5265 6.5265 7.0590 7.0590 7.5773 7.5773 7.7422 7.7422 7.9576 7.9576 8.0101 8.0101 8.2923 8.2923 8.5492 8.5492 8.7409 8.7409 8.9583 8.9583 9.0056 9.0056 12.8616 12.8616 14.0754 14.0754 14.2893 14.2893 14.6413 14.6413 14.9792 14.9792 15.8891 15.8891 k =-0.0435 0.0952 1.2034 ( 4530 PWs) bands (ev): -16.5608 -16.5608 -16.5189 -16.5189 -8.4779 -8.4779 -7.6867 -7.6867 -7.5333 -7.5333 -7.3041 -7.3041 -6.9566 -6.9566 -6.6243 -6.6243 -5.1008 -5.1008 -4.9172 -4.9172 -4.4197 -4.4197 -3.3011 -3.3011 -3.1354 -3.1354 -1.5747 -1.5747 -1.3840 -1.3840 -1.3073 -1.3073 -1.0109 -1.0109 1.0218 1.0218 6.5215 6.5215 7.0570 7.0570 7.5753 7.5753 7.7391 7.7391 7.9508 7.9508 7.9974 7.9974 8.2859 8.2859 8.5346 8.5346 8.7392 8.7392 8.9500 8.9500 8.9848 8.9848 12.8855 12.8855 14.0586 14.0586 14.3221 14.3221 14.6100 14.6100 14.9783 14.9783 15.9292 15.9292 k =-0.0522 0.1142 1.2034 ( 4534 PWs) bands (ev): -16.5609 -16.5609 -16.5197 -16.5197 -8.4785 -8.4785 -7.7243 -7.7243 -7.5503 -7.5503 -7.2682 -7.2682 -6.9583 -6.9583 -6.6174 -6.6174 -5.0893 -5.0893 -4.9153 -4.9153 -4.4084 -4.4084 -3.2980 -3.2980 -3.1348 -3.1348 -1.5683 -1.5683 -1.3808 -1.3808 -1.3053 -1.3053 -1.0113 -1.0113 1.0363 1.0363 6.5156 6.5156 7.0546 7.0546 7.5729 7.5729 7.7350 7.7350 7.9420 7.9420 7.9828 7.9828 8.2786 8.2786 8.5156 8.5156 8.7370 8.7370 8.9347 8.9347 8.9667 8.9667 12.9140 12.9140 14.0438 14.0438 14.3514 14.3514 14.5764 14.5764 14.9799 14.9799 15.9746 15.9746 k =-0.0522 0.1142 1.2034 ( 4534 PWs) bands (ev): -16.5609 -16.5609 -16.5197 -16.5197 -8.4785 -8.4785 -7.7243 -7.7243 -7.5503 -7.5503 -7.2682 -7.2682 -6.9583 -6.9583 -6.6174 -6.6174 -5.0893 -5.0893 -4.9153 -4.9153 -4.4084 -4.4084 -3.2980 -3.2980 -3.1348 -3.1348 -1.5683 -1.5683 -1.3808 -1.3808 -1.3053 -1.3053 -1.0113 -1.0113 1.0363 1.0363 6.5156 6.5156 7.0546 7.0546 7.5729 7.5729 7.7350 7.7350 7.9420 7.9420 7.9828 7.9828 8.2786 8.2786 8.5156 8.5156 8.7370 8.7370 8.9347 8.9347 8.9667 8.9667 12.9140 12.9140 14.0438 14.0438 14.3514 14.3514 14.5764 14.5764 14.9799 14.9799 15.9746 15.9746 k =-0.0590 0.1291 1.1870 ( 4530 PWs) bands (ev): -16.5611 -16.5611 -16.5205 -16.5205 -8.4791 -8.4791 -7.7572 -7.7572 -7.5623 -7.5623 -7.2405 -7.2405 -6.9598 -6.9598 -6.6112 -6.6112 -5.0785 -5.0785 -4.9135 -4.9135 -4.3977 -4.3977 -3.2951 -3.2951 -3.1341 -3.1341 -1.5624 -1.5624 -1.3777 -1.3777 -1.3030 -1.3030 -1.0116 -1.0116 1.0502 1.0502 6.5096 6.5096 7.0523 7.0523 7.5703 7.5703 7.7309 7.7309 7.9318 7.9318 7.9705 7.9705 8.2725 8.2725 8.4968 8.4968 8.7347 8.7347 8.9119 8.9119 8.9594 8.9594 12.9402 12.9402 14.0341 14.0341 14.3670 14.3670 14.5540 14.5540 14.9842 14.9842 16.0112 16.0112 k =-0.0657 0.1439 1.1707 ( 4528 PWs) bands (ev): -16.5614 -16.5614 -16.5213 -16.5213 -8.4799 -8.4799 -7.7962 -7.7962 -7.5704 -7.5704 -7.2140 -7.2140 -6.9616 -6.9616 -6.6040 -6.6040 -5.0657 -5.0657 -4.9113 -4.9113 -4.3846 -4.3846 -3.2916 -3.2916 -3.1330 -3.1330 -1.5556 -1.5556 -1.3739 -1.3739 -1.2995 -1.2995 -1.0118 -1.0118 1.0673 1.0673 6.5020 6.5020 7.0495 7.0495 7.5660 7.5660 7.7266 7.7266 7.9158 7.9158 7.9580 7.9580 8.2662 8.2662 8.4737 8.4737 8.7312 8.7312 8.8791 8.8791 8.9572 8.9572 12.9710 12.9710 14.0268 14.0268 14.3677 14.3677 14.5449 14.5449 14.9924 14.9924 16.0470 16.0470 k =-0.0725 0.1588 1.1544 ( 4526 PWs) bands (ev): -16.5618 -16.5618 -16.5222 -16.5222 -8.4808 -8.4808 -7.8394 -7.8394 -7.5758 -7.5758 -7.1890 -7.1890 -6.9637 -6.9637 -6.5961 -6.5961 -5.0515 -5.0515 -4.9087 -4.9087 -4.3689 -4.3689 -3.2876 -3.2876 -3.1315 -3.1315 -1.5479 -1.5479 -1.3694 -1.3694 -1.2951 -1.2951 -1.0118 -1.0118 1.0876 1.0876 6.4926 6.4926 7.0462 7.0462 7.5595 7.5595 7.7222 7.7222 7.8933 7.8933 7.9456 7.9456 8.2598 8.2598 8.4464 8.4464 8.7267 8.7267 8.8407 8.8407 8.9567 8.9567 13.0059 13.0059 14.0218 14.0218 14.3474 14.3474 14.5562 14.5562 15.0037 15.0037 16.0819 16.0819 k =-0.0793 0.1736 1.1380 ( 4517 PWs) bands (ev): -16.5622 -16.5622 -16.5231 -16.5231 -8.4820 -8.4820 -7.8852 -7.8852 -7.5792 -7.5792 -7.1660 -7.1660 -6.9661 -6.9661 -6.5874 -6.5874 -5.0362 -5.0362 -4.9058 -4.9058 -4.3507 -4.3507 -3.2832 -3.2832 -3.1297 -3.1297 -1.5395 -1.5395 -1.3642 -1.3642 -1.2897 -1.2897 -1.0118 -1.0118 1.1111 1.1111 6.4817 6.4817 7.0425 7.0425 7.5503 7.5503 7.7183 7.7183 7.8644 7.8644 7.9331 7.9331 8.2534 8.2534 8.4149 8.4149 8.7213 8.7213 8.7989 8.7989 8.9568 8.9568 13.0448 13.0448 14.0190 14.0190 14.3108 14.3108 14.5844 14.5844 15.0177 15.0177 16.1158 16.1158 k =-0.0861 0.1885 1.1217 ( 4519 PWs) bands (ev): -16.5628 -16.5628 -16.5242 -16.5242 -8.4833 -8.4833 -7.9327 -7.9327 -7.5814 -7.5814 -7.1449 -7.1449 -6.9688 -6.9688 -6.5782 -6.5782 -5.0202 -5.0202 -4.9026 -4.9026 -4.3296 -4.3296 -3.2782 -3.2782 -3.1274 -3.1274 -1.5303 -1.5303 -1.3582 -1.3582 -1.2834 -1.2834 -1.0117 -1.0117 1.1380 1.1380 6.4694 6.4694 7.0382 7.0382 7.5379 7.5379 7.7150 7.7150 7.8293 7.8293 7.9199 7.9199 8.2470 8.2470 8.3796 8.3796 8.7149 8.7149 8.7552 8.7552 8.9571 8.9571 13.0872 13.0872 14.0184 14.0184 14.2652 14.2652 14.6229 14.6229 15.0342 15.0342 16.1485 16.1485 k =-0.0929 0.2033 1.1054 ( 4520 PWs) bands (ev): -16.5635 -16.5635 -16.5253 -16.5253 -8.4848 -8.4848 -7.9809 -7.9809 -7.5827 -7.5827 -7.1257 -7.1257 -6.9717 -6.9717 -6.5686 -6.5686 -5.0039 -5.0039 -4.8990 -4.8990 -4.3059 -4.3059 -3.2727 -3.2727 -3.1249 -3.1249 -1.5204 -1.5204 -1.3515 -1.3515 -1.2764 -1.2764 -1.0114 -1.0114 1.1682 1.1682 6.4557 6.4557 7.0334 7.0334 7.5220 7.5220 7.7120 7.7120 7.7882 7.7882 7.9057 7.9057 8.2405 8.2405 8.3409 8.3409 8.7035 8.7035 8.7152 8.7152 8.9576 8.9576 13.1329 13.1329 14.0195 14.0195 14.2151 14.2151 14.6680 14.6680 15.0530 15.0530 16.1792 16.1792 k =-0.0997 0.2182 1.0890 ( 4518 PWs) bands (ev): -16.5643 -16.5643 -16.5265 -16.5265 -8.4866 -8.4866 -8.0294 -8.0294 -7.5834 -7.5834 -7.1085 -7.1085 -6.9748 -6.9748 -6.5588 -6.5588 -4.9877 -4.9877 -4.8952 -4.8952 -4.2794 -4.2794 -3.2668 -3.2668 -3.1220 -3.1220 -1.5100 -1.5100 -1.3440 -1.3440 -1.2686 -1.2686 -1.0112 -1.0112 1.2020 1.2020 6.4408 6.4408 7.0280 7.0280 7.5024 7.5024 7.7054 7.7054 7.7447 7.7447 7.8905 7.8905 8.2340 8.2340 8.2995 8.2995 8.6637 8.6637 8.7033 8.7033 8.9581 8.9581 13.1814 13.1814 14.0219 14.0219 14.1634 14.1634 14.7181 14.7181 15.0740 15.0740 16.2048 16.2048 k =-0.1064 0.2330 1.0727 ( 4520 PWs) bands (ev): -16.5651 -16.5651 -16.5277 -16.5277 -8.4886 -8.4886 -8.0777 -8.0777 -7.5836 -7.5836 -7.0930 -7.0930 -6.9781 -6.9781 -6.5490 -6.5490 -4.9719 -4.9719 -4.8911 -4.8911 -4.2503 -4.2503 -3.2604 -3.2604 -3.1188 -3.1188 -1.4990 -1.4990 -1.3356 -1.3356 -1.2602 -1.2602 -1.0108 -1.0108 1.2392 1.2392 6.4247 6.4247 7.0217 7.0217 7.4791 7.4791 7.6703 7.6703 7.7234 7.7234 7.8742 7.8742 8.2271 8.2271 8.2565 8.2565 8.6202 8.6202 8.6960 8.6960 8.9587 8.9587 13.2323 13.2323 14.0235 14.0235 14.1133 14.1133 14.7723 14.7723 15.0969 15.0969 16.2061 16.2061 k =-0.1132 0.2479 1.0564 ( 4519 PWs) bands (ev): -16.5660 -16.5660 -16.5289 -16.5289 -8.4910 -8.4910 -8.1253 -8.1253 -7.5835 -7.5835 -7.0791 -7.0791 -6.9815 -6.9815 -6.5391 -6.5391 -4.9568 -4.9568 -4.8867 -4.8867 -4.2187 -4.2187 -3.2536 -3.2536 -3.1153 -3.1153 -1.4875 -1.4875 -1.3265 -1.3265 -1.2513 -1.2513 -1.0105 -1.0105 1.2801 1.2801 6.4076 6.4076 7.0142 7.0142 7.4523 7.4523 7.6091 7.6091 7.7216 7.7216 7.8570 7.8570 8.2103 8.2103 8.2225 8.2225 8.5777 8.5777 8.6890 8.6890 8.9593 8.9593 13.2851 13.2851 14.0149 14.0149 14.0750 14.0750 14.8300 14.8300 15.1218 15.1218 16.1482 16.1482 k =-0.1200 0.2627 1.0401 ( 4515 PWs) bands (ev): -16.5669 -16.5669 -16.5302 -16.5302 -8.4939 -8.4939 -8.1719 -8.1719 -7.5831 -7.5831 -7.0667 -7.0667 -6.9851 -6.9851 -6.5294 -6.5294 -4.9426 -4.9426 -4.8821 -4.8821 -4.1848 -4.1848 -3.2464 -3.2464 -3.1117 -3.1117 -1.4757 -1.4757 -1.3166 -1.3166 -1.2419 -1.2419 -1.0101 -1.0101 1.3246 1.3246 6.3894 6.3894 7.0048 7.0048 7.4217 7.4217 7.5389 7.5389 7.7232 7.7232 7.8390 7.8390 8.1675 8.1675 8.2143 8.2143 8.5366 8.5366 8.6825 8.6825 8.9599 8.9599 13.3394 13.3394 13.9796 13.9796 14.0660 14.0660 14.8908 14.8908 15.1487 15.1487 16.0670 16.0670 k =-0.1268 0.2776 1.0237 ( 4510 PWs) bands (ev): -16.5679 -16.5679 -16.5316 -16.5316 -8.4973 -8.4973 -8.2170 -8.2170 -7.5825 -7.5825 -7.0558 -7.0558 -6.9887 -6.9887 -6.5200 -6.5200 -4.9295 -4.9295 -4.8774 -4.8774 -4.1491 -4.1491 -3.2387 -3.2387 -3.1078 -3.1078 -1.4635 -1.4635 -1.3061 -1.3061 -1.2322 -1.2322 -1.0097 -1.0097 1.3728 1.3728 6.3702 6.3702 6.9926 6.9926 7.3856 7.3856 7.4650 7.4650 7.7259 7.7259 7.8204 7.8204 8.1245 8.1245 8.2068 8.2068 8.4971 8.4971 8.6765 8.6765 8.9604 8.9604 13.3946 13.3946 13.9311 13.9311 14.0729 14.0729 14.9542 14.9542 15.1775 15.1775 15.9830 15.9830 k =-0.1336 0.2924 1.0074 ( 4510 PWs) bands (ev): -16.5690 -16.5690 -16.5329 -16.5329 -8.5015 -8.5015 -8.2603 -8.2603 -7.5817 -7.5817 -7.0461 -7.0461 -6.9923 -6.9923 -6.5108 -6.5108 -4.9174 -4.9174 -4.8725 -4.8725 -4.1117 -4.1117 -3.2306 -3.2306 -3.1038 -3.1038 -1.4511 -1.4511 -1.2948 -1.2948 -1.2222 -1.2222 -1.0094 -1.0094 1.4249 1.4249 6.3499 6.3499 6.9753 6.9753 7.3378 7.3378 7.3973 7.3973 7.7292 7.7292 7.8013 7.8013 8.0828 8.0828 8.1989 8.1989 8.4592 8.4592 8.6711 8.6711 8.9609 8.9609 13.4497 13.4497 13.8812 13.8812 14.0850 14.0850 15.0196 15.0196 15.2084 15.2084 15.9007 15.9007 k =-0.1404 0.3073 0.9911 ( 4507 PWs) bands (ev): -16.5701 -16.5701 -16.5343 -16.5343 -8.5069 -8.5069 -8.3012 -8.3012 -7.5808 -7.5808 -7.0376 -7.0376 -6.9958 -6.9958 -6.5020 -6.5020 -4.9064 -4.9064 -4.8675 -4.8675 -4.0732 -4.0732 -3.2221 -3.2221 -3.0997 -3.0997 -1.4384 -1.4384 -1.2830 -1.2830 -1.2121 -1.2121 -1.0092 -1.0092 1.4807 1.4807 6.3283 6.3283 6.9489 6.9489 7.2732 7.2732 7.3467 7.3467 7.7325 7.7325 7.7821 7.7821 8.0426 8.0426 8.1905 8.1905 8.4228 8.4228 8.6667 8.6667 8.9613 8.9613 13.5037 13.5037 13.8329 13.8329 14.0999 14.0999 15.0859 15.0859 15.2420 15.2420 15.8217 15.8217 k =-0.1472 0.3222 0.9747 ( 4505 PWs) bands (ev): -16.5712 -16.5712 -16.5356 -16.5356 -8.5140 -8.5140 -8.3389 -8.3389 -7.5799 -7.5799 -7.0303 -7.0303 -6.9991 -6.9991 -6.4936 -6.4936 -4.8965 -4.8965 -4.8624 -4.8624 -4.0340 -4.0340 -3.2133 -3.2133 -3.0955 -3.0955 -1.4256 -1.4256 -1.2707 -1.2707 -1.2018 -1.2018 -1.0091 -1.0091 1.5405 1.5405 6.3049 6.3049 6.9070 6.9070 7.2074 7.2074 7.3058 7.3058 7.7351 7.7351 7.7635 7.7635 8.0040 8.0040 8.1816 8.1816 8.3878 8.3878 8.6631 8.6631 8.9616 8.9616 13.5542 13.5542 13.7891 13.7891 14.1171 14.1171 15.1512 15.1512 15.2795 15.2795 15.7476 15.7476 k =-0.1539 0.3370 0.9584 ( 4509 PWs) bands (ev): -16.5723 -16.5723 -16.5370 -16.5370 -8.5237 -8.5237 -8.3725 -8.3725 -7.5788 -7.5788 -7.0245 -7.0245 -7.0018 -7.0018 -6.4857 -6.4857 -4.8877 -4.8877 -4.8574 -4.8574 -3.9945 -3.9945 -3.2041 -3.2041 -3.0913 -3.0913 -1.4127 -1.4127 -1.2581 -1.2581 -1.1914 -1.1914 -1.0091 -1.0091 1.6040 1.6040 6.2792 6.2792 6.8439 6.8439 7.1557 7.1557 7.2674 7.2674 7.7328 7.7328 7.7497 7.7497 7.9669 7.9669 8.1722 8.1722 8.3543 8.3543 8.6606 8.6606 8.9619 8.9619 13.5949 13.5949 13.7556 13.7556 14.1363 14.1363 15.2117 15.2117 15.3236 15.3236 15.6797 15.6797 k =-0.1607 0.3519 0.9421 ( 4507 PWs) bands (ev): -16.5734 -16.5734 -16.5383 -16.5383 -8.5369 -8.5369 -8.4009 -8.4009 -7.5778 -7.5778 -7.0207 -7.0207 -7.0032 -7.0032 -6.4782 -6.4782 -4.8797 -4.8797 -4.8524 -4.8524 -3.9551 -3.9551 -3.1946 -3.1946 -3.0871 -3.0871 -1.3998 -1.3998 -1.2452 -1.2452 -1.1810 -1.1810 -1.0093 -1.0093 1.6714 1.6714 6.2498 6.2498 6.7608 6.7608 7.1212 7.1212 7.2300 7.2300 7.7183 7.7183 7.7481 7.7481 7.9313 7.9313 8.1623 8.1623 8.3221 8.3221 8.6590 8.6590 8.9621 8.9621 13.6106 13.6106 13.7476 13.7476 14.1572 14.1572 15.2625 15.2625 15.3777 15.3777 15.6198 15.6198 k =-0.1675 0.3667 0.9257 ( 4509 PWs) bands (ev): -16.5746 -16.5746 -16.5396 -16.5396 -8.5545 -8.5545 -8.4231 -8.4231 -7.5767 -7.5767 -7.0198 -7.0198 -7.0023 -7.0023 -6.4711 -6.4711 -4.8725 -4.8725 -4.8477 -4.8477 -3.9164 -3.9164 -3.1848 -3.1848 -3.0829 -3.0829 -1.3869 -1.3869 -1.2321 -1.2321 -1.1706 -1.1706 -1.0097 -1.0097 1.7425 1.7425 6.2144 6.2144 6.6662 6.6662 7.0994 7.0994 7.1935 7.1935 7.6999 7.6999 7.7504 7.7504 7.8970 7.8970 8.1520 8.1520 8.2913 8.2913 8.6583 8.6583 8.9623 8.9623 13.5938 13.5938 13.7719 13.7719 14.1797 14.1797 15.3005 15.3005 15.4419 15.4419 15.5711 15.5711 k =-0.1743 0.3816 0.9094 ( 4507 PWs) bands (ev): -16.5757 -16.5757 -16.5409 -16.5409 -8.5761 -8.5761 -8.4394 -8.4394 -7.5755 -7.5755 -7.0212 -7.0212 -6.9996 -6.9996 -6.4645 -6.4645 -4.8660 -4.8660 -4.8431 -4.8431 -3.8786 -3.8786 -3.1748 -3.1748 -3.0789 -3.0789 -1.3741 -1.3741 -1.2191 -1.2191 -1.1603 -1.1603 -1.0104 -1.0104 1.8173 1.8173 6.1691 6.1691 6.5704 6.5704 7.0849 7.0849 7.1585 7.1585 7.6811 7.6811 7.7529 7.7529 7.8642 7.8642 8.1414 8.1414 8.2620 8.2620 8.6585 8.6585 8.9624 8.9624 13.5619 13.5619 13.8106 13.8106 14.2038 14.2038 15.3241 15.3241 15.5110 15.5110 15.5402 15.5402 k =-0.1811 0.3964 0.8931 ( 4511 PWs) bands (ev): -16.5768 -16.5768 -16.5422 -16.5422 -8.6004 -8.6004 -8.4509 -8.4509 -7.5745 -7.5745 -7.0237 -7.0237 -6.9963 -6.9963 -6.4584 -6.4584 -4.8601 -4.8601 -4.8389 -4.8389 -3.8421 -3.8421 -3.1646 -3.1646 -3.0749 -3.0749 -1.3614 -1.3614 -1.2062 -1.2062 -1.1501 -1.1501 -1.0113 -1.0113 1.8955 1.8955 6.1083 6.1083 6.4833 6.4833 7.0728 7.0728 7.1268 7.1268 7.6627 7.6627 7.7549 7.7549 7.8330 7.8330 8.1307 8.1307 8.2341 8.2341 8.6595 8.6595 8.9625 8.9625 13.5264 13.5264 13.8518 13.8518 14.2291 14.2291 15.3303 15.3303 15.5253 15.5253 15.5897 15.5897 k =-0.1879 0.4113 0.8768 ( 4509 PWs) bands (ev): -16.5778 -16.5778 -16.5434 -16.5434 -8.6260 -8.6260 -8.4591 -8.4591 -7.5734 -7.5734 -7.0267 -7.0267 -6.9928 -6.9928 -6.4528 -6.4528 -4.8546 -4.8546 -4.8349 -4.8349 -3.8073 -3.8073 -3.1543 -3.1543 -3.0711 -3.0711 -1.3490 -1.3490 -1.1936 -1.1936 -1.1401 -1.1401 -1.0126 -1.0126 1.9769 1.9769 6.0276 6.0276 6.4124 6.4124 7.0572 7.0572 7.1030 7.1030 7.6448 7.6448 7.7554 7.7554 7.8043 7.8043 8.1200 8.1200 8.2078 8.2078 8.6612 8.6612 8.9624 8.9624 13.4909 13.4909 13.8913 13.8913 14.2556 14.2556 15.3205 15.3205 15.5376 15.5376 15.6646 15.6646 k =-0.1947 0.4261 0.8604 ( 4509 PWs) bands (ev): -16.5788 -16.5788 -16.5445 -16.5445 -8.6516 -8.6516 -8.4650 -8.4650 -7.5723 -7.5723 -7.0297 -7.0297 -6.9896 -6.9896 -6.4475 -6.4475 -4.8497 -4.8497 -4.8314 -4.8314 -3.7745 -3.7745 -3.1440 -3.1440 -3.0675 -3.0675 -1.3368 -1.3368 -1.1814 -1.1814 -1.1303 -1.1303 -1.0142 -1.0142 2.0612 2.0612 5.9274 5.9274 6.3593 6.3593 7.0334 7.0334 7.0910 7.0910 7.6277 7.6277 7.7506 7.7506 7.7818 7.7818 8.1094 8.1094 8.1831 8.1831 8.6633 8.6633 8.9624 8.9624 13.4569 13.4569 13.9274 13.9274 14.2829 14.2829 15.3028 15.3028 15.5650 15.5650 15.7388 15.7388 k =-0.2014 0.4410 0.8441 ( 4509 PWs) bands (ev): -16.5798 -16.5798 -16.5456 -16.5456 -8.6763 -8.6763 -8.4695 -8.4695 -7.5713 -7.5713 -7.0326 -7.0326 -6.9867 -6.9867 -6.4428 -6.4428 -4.8451 -4.8451 -4.8281 -4.8281 -3.7438 -3.7438 -3.1338 -3.1338 -3.0642 -3.0642 -1.3250 -1.3250 -1.1697 -1.1697 -1.1208 -1.1208 -1.0162 -1.0162 2.1480 2.1480 5.8130 5.8130 6.3203 6.3203 7.0052 7.0052 7.0866 7.0866 7.6115 7.6115 7.7333 7.7333 7.7726 7.7726 8.0991 8.0991 8.1601 8.1601 8.6659 8.6659 8.9623 8.9623 13.4248 13.4248 13.9591 13.9591 14.3109 14.3109 15.2842 15.2842 15.6013 15.6013 15.8100 15.8100 k =-0.2082 0.4558 0.8278 ( 4507 PWs) bands (ev): -16.5807 -16.5807 -16.5466 -16.5466 -8.6998 -8.6998 -8.4730 -8.4730 -7.5704 -7.5704 -7.0354 -7.0354 -6.9840 -6.9840 -6.4385 -6.4385 -4.8410 -4.8410 -4.8252 -4.8252 -3.7155 -3.7155 -3.1238 -3.1238 -3.0610 -3.0610 -1.3137 -1.3137 -1.1585 -1.1585 -1.1116 -1.1116 -1.0185 -1.0185 2.2365 2.2365 5.6906 5.6906 6.2910 6.2910 6.9765 6.9765 7.0858 7.0858 7.5964 7.5964 7.7095 7.7095 7.7710 7.7710 8.0892 8.0892 8.1391 8.1391 8.6687 8.6687 8.9622 8.9622 13.3951 13.3951 13.9861 13.9861 14.3391 14.3391 15.2680 15.2680 15.6433 15.6433 15.8760 15.8760 k =-0.2150 0.4707 0.8114 ( 4505 PWs) bands (ev): -16.5816 -16.5816 -16.5475 -16.5475 -8.7215 -8.7215 -8.4758 -8.4758 -7.5695 -7.5695 -7.0381 -7.0381 -6.9817 -6.9817 -6.4346 -6.4346 -4.8372 -4.8372 -4.8227 -4.8227 -3.6898 -3.6898 -3.1141 -3.1141 -3.0582 -3.0582 -1.3029 -1.3029 -1.1479 -1.1479 -1.1029 -1.1029 -1.0212 -1.0212 2.3262 2.3262 5.5648 5.5648 6.2681 6.2681 6.9490 6.9490 7.0869 7.0869 7.5824 7.5824 7.6852 7.6852 7.7711 7.7711 8.0796 8.0796 8.1200 8.1200 8.6717 8.6717 8.9621 8.9621 13.3678 13.3678 14.0084 14.0084 14.3673 14.3673 15.2554 15.2554 15.6896 15.6896 15.9344 15.9344 k =-0.2218 0.4856 0.7951 ( 4505 PWs) bands (ev): -16.5823 -16.5823 -16.5484 -16.5484 -8.7414 -8.7414 -8.4781 -8.4781 -7.5687 -7.5687 -7.0405 -7.0405 -6.9796 -6.9796 -6.4311 -6.4311 -4.8338 -4.8338 -4.8205 -4.8205 -3.6666 -3.6666 -3.1049 -3.1049 -3.0556 -3.0556 -1.2928 -1.2928 -1.1379 -1.1379 -1.0948 -1.0948 -1.0242 -1.0242 2.4158 2.4158 5.4393 5.4393 6.2497 6.2497 6.9234 6.9234 7.0892 7.0892 7.5697 7.5697 7.6620 7.6620 7.7715 7.7715 8.0705 8.0705 8.1032 8.1032 8.6747 8.6747 8.9619 8.9619 13.3432 13.3432 14.0262 14.0262 14.3949 14.3949 15.2464 15.2464 15.7395 15.7395 15.9824 15.9824 k =-0.2286 0.5004 0.7788 ( 4508 PWs) bands (ev): -16.5831 -16.5831 -16.5491 -16.5491 -8.7591 -8.7591 -8.4799 -8.4799 -7.5680 -7.5680 -7.0427 -7.0427 -6.9778 -6.9778 -6.4281 -6.4281 -4.8308 -4.8308 -4.8186 -4.8186 -3.6461 -3.6461 -3.0962 -3.0962 -3.0534 -3.0534 -1.2835 -1.2835 -1.1286 -1.1286 -1.0875 -1.0875 -1.0275 -1.0275 2.5043 2.5043 5.3171 5.3171 6.2345 6.2345 6.9002 6.9002 7.0922 7.0922 7.5583 7.5583 7.6403 7.6403 7.7718 7.7718 8.0616 8.0616 8.0888 8.0888 8.6776 8.6776 8.9618 8.9618 13.3213 13.3213 14.0398 14.0398 14.4214 14.4214 15.2405 15.2405 15.7927 15.7927 16.0180 16.0180 k =-0.2354 0.5153 0.7624 ( 4502 PWs) bands (ev): -16.5837 -16.5837 -16.5498 -16.5498 -8.7747 -8.7747 -8.4814 -8.4814 -7.5674 -7.5674 -7.0447 -7.0447 -6.9763 -6.9763 -6.4255 -6.4255 -4.8281 -4.8281 -4.8170 -4.8170 -3.6284 -3.6284 -3.0883 -3.0883 -3.0515 -3.0515 -1.2751 -1.2751 -1.1198 -1.1198 -1.0811 -1.0811 -1.0310 -1.0310 2.5899 2.5899 5.2008 5.2008 6.2220 6.2220 6.8795 6.8795 7.0956 7.0956 7.5483 7.5483 7.6206 7.6206 7.7721 7.7721 8.0530 8.0530 8.0771 8.0771 8.6803 8.6803 8.9616 8.9616 13.3021 13.3021 14.0499 14.0499 14.4462 14.4462 15.2372 15.2372 15.8486 15.8486 16.0404 16.0404 k =-0.2422 0.5301 0.7461 ( 4498 PWs) bands (ev): -16.5842 -16.5842 -16.5504 -16.5504 -8.7879 -8.7879 -8.4826 -8.4826 -7.5668 -7.5668 -7.0463 -7.0463 -6.9750 -6.9750 -6.4233 -6.4233 -4.8259 -4.8259 -4.8157 -4.8157 -3.6134 -3.6134 -3.0813 -3.0813 -3.0500 -3.0500 -1.2677 -1.2677 -1.1116 -1.1116 -1.0759 -1.0759 -1.0344 -1.0344 2.6704 2.6704 5.0933 5.0933 6.2118 6.2118 6.8617 6.8617 7.0991 7.0991 7.5399 7.5399 7.6031 7.6031 7.7722 7.7722 8.0448 8.0448 8.0680 8.0680 8.6827 8.6827 8.9615 8.9615 13.2858 13.2858 14.0571 14.0571 14.4688 14.4688 15.2357 15.2357 15.9066 15.9066 16.0514 16.0514 k =-0.2489 0.5450 0.7298 ( 4502 PWs) bands (ev): -16.5846 -16.5846 -16.5509 -16.5509 -8.7989 -8.7989 -8.4836 -8.4836 -7.5664 -7.5664 -7.0477 -7.0477 -6.9739 -6.9739 -6.4215 -6.4215 -4.8240 -4.8240 -4.8146 -4.8146 -3.6011 -3.6011 -3.0752 -3.0752 -3.0488 -3.0488 -1.2614 -1.2614 -1.1039 -1.1039 -1.0722 -1.0722 -1.0377 -1.0377 2.7433 2.7433 4.9978 4.9978 6.2037 6.2037 6.8469 6.8469 7.1025 7.1025 7.5330 7.5330 7.5882 7.5882 7.7722 7.7722 8.0373 8.0373 8.0611 8.0611 8.6848 8.6848 8.9614 8.9614 13.2725 13.2725 14.0620 14.0620 14.4884 14.4884 15.2354 15.2354 15.9650 15.9650 16.0551 16.0551 k =-0.2557 0.5598 0.7134 ( 4496 PWs) bands (ev): -16.5850 -16.5850 -16.5513 -16.5513 -8.8074 -8.8074 -8.4843 -8.4843 -7.5660 -7.5660 -7.0488 -7.0488 -6.9731 -6.9731 -6.4201 -6.4201 -4.8225 -4.8225 -4.8138 -4.8138 -3.5916 -3.5916 -3.0702 -3.0702 -3.0480 -3.0480 -1.2565 -1.2565 -1.0968 -1.0968 -1.0704 -1.0704 -1.0403 -1.0403 2.8054 2.8054 4.9178 4.9178 6.1974 6.1974 6.8353 6.8353 7.1054 7.1054 7.5277 7.5277 7.5762 7.5762 7.7722 7.7722 8.0311 8.0311 8.0562 8.0562 8.6865 8.6865 8.9613 8.9613 13.2620 13.2620 14.0652 14.0652 14.5045 14.5045 15.2358 15.2358 16.0171 16.0171 16.0610 16.0610 k =-0.2625 0.5747 0.6971 ( 4501 PWs) bands (ev): -16.5852 -16.5852 -16.5515 -16.5515 -8.8135 -8.8135 -8.4848 -8.4848 -7.5658 -7.5658 -7.0496 -7.0496 -6.9726 -6.9726 -6.4191 -6.4191 -4.8215 -4.8215 -4.8133 -4.8133 -3.5849 -3.5849 -3.0665 -3.0665 -3.0476 -3.0476 -1.2528 -1.2528 -1.0903 -1.0903 -1.0706 -1.0706 -1.0420 -1.0420 2.8533 2.8533 4.8569 4.8569 6.1930 6.1930 6.8269 6.8269 7.1077 7.1077 7.5240 7.5240 7.5673 7.5673 7.7721 7.7721 8.0264 8.0264 8.0529 8.0529 8.6878 8.6878 8.9612 8.9612 13.2545 13.2545 14.0671 14.0671 14.5165 14.5165 15.2363 15.2363 16.0352 16.0352 16.0977 16.0977 k =-0.2693 0.5895 0.6808 ( 4501 PWs) bands (ev): -16.5854 -16.5854 -16.5517 -16.5517 -8.8172 -8.8172 -8.4851 -8.4851 -7.5656 -7.5656 -7.0501 -7.0501 -6.9722 -6.9722 -6.4185 -6.4185 -4.8208 -4.8208 -4.8129 -4.8129 -3.5808 -3.5808 -3.0642 -3.0642 -3.0473 -3.0473 -1.2506 -1.2506 -1.0848 -1.0848 -1.0726 -1.0726 -1.0428 -1.0428 2.8837 2.8837 4.8187 4.8187 6.1904 6.1904 6.8218 6.8218 7.1092 7.1092 7.5219 7.5219 7.5618 7.5618 7.7721 7.7721 8.0236 8.0236 8.0509 8.0509 8.6885 8.6885 8.9611 8.9611 13.2500 13.2500 14.0681 14.0681 14.5239 14.5239 15.2367 15.2367 16.0352 16.0352 16.1455 16.1455 k =-0.2761 0.6044 0.6645 ( 4499 PWs) bands (ev): -16.5854 -16.5854 -16.5517 -16.5517 -8.8185 -8.8185 -8.4852 -8.4852 -7.5656 -7.5656 -7.0502 -7.0502 -6.9721 -6.9721 -6.4183 -6.4183 -4.8206 -4.8206 -4.8128 -4.8128 -3.5795 -3.5795 -3.0634 -3.0634 -3.0473 -3.0473 -1.2499 -1.2499 -1.0820 -1.0820 -1.0743 -1.0743 -1.0431 -1.0431 2.8941 2.8941 4.8056 4.8056 6.1895 6.1895 6.8201 6.8201 7.1097 7.1097 7.5211 7.5211 7.5599 7.5599 7.7721 7.7721 8.0226 8.0226 8.0503 8.0503 8.6888 8.6888 8.9611 8.9611 13.2485 13.2485 14.0684 14.0684 14.5264 14.5264 15.2369 15.2369 16.0345 16.0345 16.1689 16.1689 k =-0.2761 0.6044 0.6645 ( 4499 PWs) bands (ev): -16.5854 -16.5854 -16.5517 -16.5517 -8.8185 -8.8185 -8.4852 -8.4852 -7.5656 -7.5656 -7.0502 -7.0502 -6.9721 -6.9721 -6.4183 -6.4183 -4.8206 -4.8206 -4.8128 -4.8128 -3.5795 -3.5795 -3.0634 -3.0634 -3.0473 -3.0473 -1.2499 -1.2499 -1.0820 -1.0820 -1.0743 -1.0743 -1.0431 -1.0431 2.8941 2.8941 4.8056 4.8056 6.1895 6.1895 6.8201 6.8201 7.1097 7.1097 7.5211 7.5211 7.5599 7.5599 7.7721 7.7721 8.0226 8.0226 8.0503 8.0503 8.6888 8.6888 8.9611 8.9611 13.2485 13.2485 14.0684 14.0684 14.5264 14.5264 15.2369 15.2369 16.0345 16.0345 16.1689 16.1689 k =-0.2693 0.5896 0.6482 ( 4497 PWs) bands (ev): -16.5869 -16.5869 -16.5494 -16.5494 -8.8188 -8.8188 -8.4852 -8.4852 -7.5230 -7.5230 -7.0528 -7.0528 -7.0048 -7.0048 -6.4192 -6.4192 -4.8379 -4.8379 -4.8156 -4.8156 -3.5864 -3.5864 -3.0571 -3.0571 -3.0476 -3.0476 -1.2560 -1.2560 -1.0824 -1.0824 -1.0701 -1.0701 -1.0328 -1.0328 2.8853 2.8853 4.8046 4.8046 6.1741 6.1741 6.8220 6.8220 7.1076 7.1076 7.5312 7.5312 7.5653 7.5653 7.7670 7.7670 8.0118 8.0118 8.0518 8.0518 8.6974 8.6974 8.9632 8.9632 13.3041 13.3041 14.0926 14.0926 14.5112 14.5112 15.2802 15.2802 16.0085 16.0085 16.1924 16.1924 k =-0.2626 0.5749 0.6320 ( 4501 PWs) bands (ev): -16.5885 -16.5885 -16.5472 -16.5472 -8.8191 -8.8191 -8.4850 -8.4850 -7.4869 -7.4869 -7.0567 -7.0567 -7.0318 -7.0318 -6.4202 -6.4202 -4.8520 -4.8520 -4.8162 -4.8162 -3.5932 -3.5932 -3.0517 -3.0517 -3.0471 -3.0471 -1.2615 -1.2615 -1.0871 -1.0871 -1.0623 -1.0623 -1.0223 -1.0223 2.8785 2.8785 4.8033 4.8033 6.1580 6.1580 6.8266 6.8266 7.1051 7.1051 7.5419 7.5419 7.5713 7.5713 7.7637 7.7637 8.0009 8.0009 8.0527 8.0527 8.7057 8.7057 8.9611 8.9611 13.3470 13.3470 14.1145 14.1145 14.4908 14.4908 15.3208 15.3208 15.9795 15.9795 16.2139 16.2139 k =-0.2559 0.5602 0.6158 ( 4495 PWs) bands (ev): -16.5903 -16.5903 -16.5450 -16.5450 -8.8193 -8.8193 -8.4848 -8.4848 -7.4603 -7.4603 -7.0666 -7.0666 -7.0454 -7.0454 -6.4212 -6.4212 -4.8610 -4.8610 -4.8165 -4.8165 -3.6000 -3.6000 -3.0493 -3.0493 -3.0437 -3.0437 -1.2662 -1.2662 -1.0922 -1.0922 -1.0547 -1.0547 -1.0119 -1.0119 2.8739 2.8739 4.8018 4.8018 6.1414 6.1414 6.8337 6.8337 7.1025 7.1025 7.5529 7.5529 7.5780 7.5780 7.7621 7.7621 7.9908 7.9908 8.0524 8.0524 8.7136 8.7136 8.9549 8.9549 13.3756 13.3756 14.1347 14.1347 14.4653 14.4653 15.3586 15.3586 15.9484 15.9484 16.2321 16.2321 k =-0.2491 0.5454 0.5996 ( 4499 PWs) bands (ev): -16.5922 -16.5922 -16.5430 -16.5430 -8.8194 -8.8194 -8.4845 -8.4845 -7.4469 -7.4469 -7.0769 -7.0769 -7.0474 -7.0474 -6.4223 -6.4223 -4.8647 -4.8647 -4.8166 -4.8166 -3.6068 -3.6068 -3.0488 -3.0488 -3.0386 -3.0386 -1.2702 -1.2702 -1.0974 -1.0974 -1.0474 -1.0474 -1.0016 -1.0016 2.8713 2.8713 4.8001 4.8001 6.1246 6.1246 6.8431 6.8431 7.1000 7.1000 7.5642 7.5642 7.5850 7.5850 7.7622 7.7622 7.9819 7.9819 8.0507 8.0507 8.7211 8.7211 8.9444 8.9444 13.3884 13.3884 14.1536 14.1536 14.4349 14.4349 15.3937 15.3937 15.9158 15.9158 16.2459 16.2459 k =-0.2424 0.5307 0.5834 ( 4495 PWs) bands (ev): -16.5943 -16.5943 -16.5411 -16.5411 -8.8195 -8.8195 -8.4842 -8.4842 -7.4491 -7.4491 -7.0787 -7.0787 -7.0443 -7.0443 -6.4234 -6.4234 -4.8630 -4.8630 -4.8165 -4.8165 -3.6134 -3.6134 -3.0485 -3.0485 -3.0335 -3.0335 -1.2735 -1.2735 -1.1024 -1.1024 -1.0406 -1.0406 -0.9916 -0.9916 2.8709 2.8709 4.7981 4.7981 6.1077 6.1077 6.8547 6.8547 7.0978 7.0978 7.5756 7.5756 7.5923 7.5923 7.7639 7.7639 7.9744 7.9744 8.0475 8.0475 8.7280 8.7280 8.9298 8.9298 13.3844 13.3844 14.1719 14.1719 14.4001 14.4001 15.4262 15.4262 15.8822 15.8822 16.2543 16.2543 k =-0.2357 0.5159 0.5672 ( 4505 PWs) bands (ev): -16.5965 -16.5965 -16.5392 -16.5392 -8.8195 -8.8195 -8.4839 -8.4839 -7.4663 -7.4663 -7.0739 -7.0739 -7.0347 -7.0347 -6.4244 -6.4244 -4.8561 -4.8561 -4.8163 -4.8163 -3.6198 -3.6198 -3.0480 -3.0480 -3.0288 -3.0288 -1.2760 -1.2760 -1.1074 -1.1074 -1.0342 -1.0342 -0.9820 -0.9820 2.8726 2.8726 4.7960 4.7960 6.0908 6.0908 6.8684 6.8684 7.0961 7.0961 7.5869 7.5869 7.5999 7.5999 7.7674 7.7674 7.9686 7.9686 8.0430 8.0430 8.7344 8.7344 8.9111 8.9111 13.3633 13.3633 14.1901 14.1901 14.3611 14.3611 15.4560 15.4560 15.8479 15.8479 16.2567 16.2567 k =-0.2289 0.5012 0.5510 ( 4497 PWs) bands (ev): -16.5989 -16.5989 -16.5375 -16.5375 -8.8194 -8.8194 -8.4835 -8.4835 -7.4955 -7.4955 -7.0686 -7.0686 -7.0157 -7.0157 -6.4256 -6.4256 -4.8439 -4.8439 -4.8160 -4.8160 -3.6260 -3.6260 -3.0475 -3.0475 -3.0244 -3.0244 -1.2777 -1.2777 -1.1123 -1.1123 -1.0284 -1.0284 -0.9727 -0.9727 2.8765 2.8765 4.7937 4.7937 6.0741 6.0741 6.8840 6.8840 7.0948 7.0948 7.5978 7.5978 7.6077 7.6077 7.7725 7.7725 7.9644 7.9644 8.0372 8.0372 8.7401 8.7401 8.8883 8.8883 13.3256 13.3256 14.2083 14.2083 14.3183 14.3183 15.4831 15.4831 15.8133 15.8133 16.2526 16.2526 k =-0.2222 0.4865 0.5348 ( 4501 PWs) bands (ev): -16.6014 -16.6014 -16.5359 -16.5359 -8.8193 -8.8193 -8.4832 -8.4832 -7.5329 -7.5329 -7.0650 -7.0650 -6.9886 -6.9886 -6.4267 -6.4267 -4.8271 -4.8271 -4.8151 -4.8151 -3.6319 -3.6319 -3.0468 -3.0468 -3.0204 -3.0204 -1.2787 -1.2787 -1.1170 -1.1170 -1.0231 -1.0231 -0.9638 -0.9638 2.8826 2.8826 4.7913 4.7913 6.0577 6.0577 6.9014 6.9014 7.0940 7.0940 7.6083 7.6083 7.6157 7.6157 7.7792 7.7792 7.9621 7.9621 8.0302 8.0302 8.7450 8.7450 8.8615 8.8615 13.2724 13.2724 14.2261 14.2261 14.2724 14.2724 15.5071 15.5071 15.7788 15.7788 16.2419 16.2419 k =-0.2155 0.4717 0.5186 ( 4499 PWs) bands (ev): -16.6040 -16.6040 -16.5345 -16.5345 -8.8192 -8.8192 -8.4830 -8.4830 -7.5755 -7.5755 -7.0624 -7.0624 -6.9569 -6.9569 -6.4279 -6.4279 -4.8162 -4.8162 -4.8033 -4.8033 -3.6375 -3.6375 -3.0460 -3.0460 -3.0167 -3.0167 -1.2790 -1.2790 -1.1215 -1.1215 -1.0183 -1.0183 -0.9554 -0.9554 2.8910 2.8910 4.7887 4.7887 6.0417 6.0417 6.9205 6.9205 7.0936 7.0936 7.6182 7.6182 7.6239 7.6239 7.7875 7.7875 7.9617 7.9617 8.0224 8.0224 8.7489 8.7489 8.8309 8.8309 13.2055 13.2055 14.2228 14.2228 14.2442 14.2442 15.5276 15.5276 15.7452 15.7452 16.2237 16.2237 k =-0.2087 0.4570 0.5024 ( 4497 PWs) bands (ev): -16.6067 -16.6067 -16.5331 -16.5331 -8.8191 -8.8191 -8.4830 -8.4830 -7.6212 -7.6212 -7.0601 -7.0601 -6.9233 -6.9233 -6.4291 -6.4291 -4.8151 -4.8151 -4.7769 -4.7769 -3.6427 -3.6427 -3.0451 -3.0451 -3.0135 -3.0135 -1.2785 -1.2785 -1.1259 -1.1259 -1.0141 -1.0141 -0.9474 -0.9474 2.9016 2.9016 4.7861 4.7861 6.0261 6.0261 6.9411 6.9411 7.0935 7.0935 7.6275 7.6275 7.6321 7.6321 7.7973 7.7973 7.9629 7.9629 8.0140 8.0140 8.7513 8.7513 8.7971 8.7971 13.1267 13.1267 14.1721 14.1721 14.2595 14.2595 15.5435 15.5435 15.7135 15.7135 16.1963 16.1963 k =-0.2020 0.4422 0.4862 ( 4499 PWs) bands (ev): -16.6095 -16.6095 -16.5319 -16.5319 -8.8189 -8.8189 -8.4832 -8.4832 -7.6687 -7.6687 -7.0579 -7.0579 -6.8892 -6.8892 -6.4302 -6.4302 -4.8142 -4.8142 -4.7456 -4.7456 -3.6475 -3.6475 -3.0441 -3.0441 -3.0106 -3.0106 -1.2773 -1.2773 -1.1300 -1.1300 -1.0105 -1.0105 -0.9400 -0.9400 2.9146 2.9146 4.7833 4.7833 6.0111 6.0111 6.9631 6.9631 7.0935 7.0935 7.6364 7.6364 7.6402 7.6402 7.8085 7.8085 7.9651 7.9651 8.0059 8.0059 8.7467 8.7467 8.7657 8.7657 13.0382 13.0382 14.1193 14.1193 14.2730 14.2730 15.5529 15.5529 15.6855 15.6855 16.1561 16.1561 k =-0.1953 0.4275 0.4700 ( 4491 PWs) bands (ev): -16.6124 -16.6124 -16.5307 -16.5307 -8.8187 -8.8187 -8.4837 -8.4837 -7.7170 -7.7170 -7.0555 -7.0555 -6.8556 -6.8556 -6.4314 -6.4314 -4.8134 -4.8134 -4.7102 -4.7102 -3.6518 -3.6518 -3.0430 -3.0430 -3.0082 -3.0082 -1.2755 -1.2755 -1.1339 -1.1339 -1.0074 -1.0074 -0.9331 -0.9331 2.9301 2.9301 4.7804 4.7804 5.9966 5.9966 6.9864 6.9864 7.0932 7.0932 7.6446 7.6446 7.6485 7.6485 7.8210 7.8210 7.9665 7.9665 7.9999 7.9999 8.7127 8.7127 8.7592 8.7592 12.9420 12.9420 14.0652 14.0652 14.2835 14.2835 15.5526 15.5526 15.6642 15.6642 16.1009 16.1009 k =-0.1885 0.4127 0.4538 ( 4505 PWs) bands (ev): -16.6154 -16.6154 -16.5297 -16.5297 -8.8185 -8.8185 -8.4847 -8.4847 -7.7652 -7.7652 -7.0529 -7.0529 -6.8230 -6.8230 -6.4326 -6.4326 -4.8125 -4.8125 -4.6710 -4.6710 -3.6555 -3.6555 -3.0418 -3.0418 -3.0061 -3.0061 -1.2730 -1.2730 -1.1376 -1.1376 -1.0049 -1.0049 -0.9267 -0.9267 2.9480 2.9480 4.7774 4.7774 5.9827 5.9827 7.0109 7.0109 7.0925 7.0925 7.6519 7.6519 7.6571 7.6571 7.8349 7.8349 7.9636 7.9636 7.9996 7.9996 8.6686 8.6686 8.7585 8.7585 12.8397 12.8397 14.0104 14.0104 14.2905 14.2905 15.5400 15.5400 15.6513 15.6513 16.0334 16.0334 k =-0.1818 0.3980 0.4376 ( 4501 PWs) bands (ev): -16.6184 -16.6184 -16.5288 -16.5288 -8.8184 -8.8184 -8.4863 -8.4863 -7.8128 -7.8128 -7.0501 -7.0501 -6.7918 -6.7918 -6.4339 -6.4339 -4.8115 -4.8115 -4.6285 -4.6285 -3.6585 -3.6585 -3.0405 -3.0405 -3.0044 -3.0044 -1.2698 -1.2698 -1.1411 -1.1411 -1.0030 -1.0030 -0.9209 -0.9209 2.9686 2.9686 4.7744 4.7744 5.9695 5.9695 7.0365 7.0365 7.0908 7.0908 7.6584 7.6584 7.6660 7.6660 7.8499 7.8499 7.9556 7.9556 8.0057 8.0057 8.6212 8.6212 8.7573 8.7573 12.7332 12.7332 13.9554 13.9554 14.2933 14.2933 15.5175 15.5175 15.6432 15.6432 15.9586 15.9586 k =-0.1751 0.3833 0.4214 ( 4501 PWs) bands (ev): -16.6215 -16.6215 -16.5280 -16.5280 -8.8182 -8.8182 -8.4886 -8.4886 -7.8592 -7.8592 -7.0471 -7.0471 -6.7622 -6.7622 -6.4351 -6.4351 -4.8104 -4.8104 -4.5830 -4.5830 -3.6607 -3.6607 -3.0392 -3.0392 -3.0031 -3.0031 -1.2661 -1.2661 -1.1443 -1.1443 -1.0017 -1.0017 -0.9157 -0.9157 2.9919 2.9919 4.7712 4.7712 5.9568 5.9568 7.0628 7.0628 7.0877 7.0877 7.6643 7.6643 7.6753 7.6753 7.8659 7.8659 7.9448 7.9448 8.0160 8.0160 8.5714 8.5714 8.7551 8.7551 12.6239 12.6239 13.9006 13.9006 14.2913 14.2913 15.4893 15.4893 15.6317 15.6317 15.8826 15.8826 k =-0.1683 0.3685 0.4052 ( 4493 PWs) bands (ev): -16.6247 -16.6247 -16.5273 -16.5273 -8.8181 -8.8181 -8.4919 -8.4919 -7.9039 -7.9039 -7.0438 -7.0438 -6.7342 -6.7342 -6.4363 -6.4363 -4.8092 -4.8092 -4.5351 -4.5351 -3.6620 -3.6620 -3.0378 -3.0378 -3.0021 -3.0021 -1.2619 -1.2619 -1.1472 -1.1472 -1.0010 -1.0010 -0.9111 -0.9111 3.0179 3.0179 4.7681 4.7681 5.9448 5.9448 7.0811 7.0811 7.0913 7.0913 7.6697 7.6697 7.6847 7.6847 7.8828 7.8828 7.9330 7.9330 8.0288 8.0288 8.5200 8.5200 8.7517 8.7517 12.5131 12.5131 13.8466 13.8466 14.2844 14.2844 15.4586 15.4586 15.6055 15.6055 15.8155 15.8155 k =-0.1616 0.3538 0.3889 ( 4501 PWs) bands (ev): -16.6279 -16.6279 -16.5267 -16.5267 -8.8180 -8.8180 -8.4964 -8.4964 -7.9464 -7.9464 -7.0404 -7.0404 -6.7079 -6.7079 -6.4374 -6.4374 -4.8080 -4.8080 -4.4854 -4.4854 -3.6622 -3.6622 -3.0363 -3.0363 -3.0015 -3.0015 -1.2572 -1.2572 -1.1498 -1.1498 -1.0009 -1.0009 -0.9070 -0.9070 3.0469 3.0469 4.7648 4.7648 5.9333 5.9333 7.0734 7.0734 7.1185 7.1185 7.6748 7.6748 7.6941 7.6941 7.8997 7.8997 7.9215 7.9215 8.0433 8.0433 8.4681 8.4681 8.7471 8.7471 12.4019 12.4019 13.7937 13.7937 14.2721 14.2721 15.4264 15.4264 15.5531 15.5531 15.7689 15.7689 k =-0.1549 0.3390 0.3727 ( 4503 PWs) bands (ev): -16.6311 -16.6311 -16.5262 -16.5262 -8.8179 -8.8179 -8.5023 -8.5023 -7.9864 -7.9864 -7.0368 -7.0368 -6.6833 -6.6833 -6.4386 -6.4386 -4.8068 -4.8068 -4.4343 -4.4343 -3.6613 -3.6613 -3.0348 -3.0348 -3.0012 -3.0012 -1.2521 -1.2521 -1.1522 -1.1522 -1.0013 -1.0013 -0.9035 -0.9035 3.0788 3.0788 4.7616 4.7616 5.9225 5.9225 7.0612 7.0612 7.1467 7.1467 7.6798 7.6798 7.7034 7.7034 7.9045 7.9045 7.9229 7.9229 8.0590 8.0590 8.4167 8.4167 8.7413 8.7413 12.2912 12.2912 13.7424 13.7424 14.2545 14.2545 15.3926 15.3926 15.4763 15.4763 15.7429 15.7429 k =-0.1481 0.3243 0.3565 ( 4503 PWs) bands (ev): -16.6343 -16.6343 -16.5258 -16.5258 -8.8179 -8.8179 -8.5099 -8.5099 -8.0234 -8.0234 -7.0330 -7.0330 -6.6603 -6.6603 -6.4398 -6.4398 -4.8055 -4.8055 -4.3826 -4.3826 -3.6588 -3.6588 -3.0333 -3.0333 -3.0013 -3.0013 -1.2466 -1.2466 -1.1543 -1.1543 -1.0024 -1.0024 -0.9006 -0.9006 3.1139 3.1139 4.7583 4.7583 5.9123 5.9123 7.0439 7.0439 7.1752 7.1752 7.6846 7.6846 7.7123 7.7123 7.8938 7.8938 7.9408 7.9408 8.0756 8.0756 8.3672 8.3672 8.7340 8.7340 12.1819 12.1819 13.6929 13.6929 14.2316 14.2316 15.3494 15.3494 15.3944 15.3944 15.7270 15.7270 k =-0.1414 0.3096 0.3403 ( 4499 PWs) bands (ev): -16.6375 -16.6375 -16.5255 -16.5255 -8.8179 -8.8179 -8.5194 -8.5194 -8.0570 -8.0570 -7.0292 -7.0292 -6.6389 -6.6389 -6.4409 -6.4409 -4.8041 -4.8041 -4.3310 -4.3310 -3.6547 -3.6547 -3.0317 -3.0317 -3.0016 -3.0016 -1.2407 -1.2407 -1.1560 -1.1560 -1.0040 -1.0040 -0.8982 -0.8982 3.1521 3.1521 4.7550 4.7550 5.9026 5.9026 7.0204 7.0204 7.2038 7.2038 7.6894 7.6894 7.7207 7.7207 7.8824 7.8824 7.9605 7.9605 8.0929 8.0929 8.3211 8.3211 8.7255 8.7255 12.0747 12.0747 13.6457 13.6457 14.2034 14.2034 15.2682 15.2682 15.3447 15.3447 15.7139 15.7139 k =-0.1347 0.2948 0.3241 ( 4507 PWs) bands (ev): -16.6406 -16.6406 -16.5252 -16.5252 -8.8179 -8.8179 -8.5310 -8.5310 -8.0869 -8.0869 -7.0252 -7.0252 -6.6191 -6.6191 -6.4420 -6.4420 -4.8028 -4.8028 -4.2801 -4.2801 -3.6485 -3.6485 -3.0301 -3.0301 -3.0023 -3.0023 -1.2347 -1.2347 -1.1574 -1.1574 -1.0063 -1.0063 -0.8964 -0.8964 3.1937 3.1937 4.7517 4.7517 5.8934 5.8934 6.9895 6.9895 7.2319 7.2319 7.6942 7.6942 7.7282 7.7282 7.8719 7.8719 7.9807 7.9807 8.1104 8.1104 8.2801 8.2801 8.7155 8.7155 11.9702 11.9702 13.6010 13.6010 14.1703 14.1703 15.1691 15.1691 15.3115 15.3115 15.7002 15.7002 k =-0.1279 0.2801 0.3079 ( 4507 PWs) bands (ev): -16.6437 -16.6437 -16.5250 -16.5250 -8.8180 -8.8180 -8.5447 -8.5447 -8.1131 -8.1131 -7.0211 -7.0211 -6.6007 -6.6007 -6.4431 -6.4431 -4.8014 -4.8014 -4.2308 -4.2308 -3.6400 -3.6400 -3.0285 -3.0285 -3.0032 -3.0032 -1.2285 -1.2285 -1.1585 -1.1585 -1.0090 -1.0090 -0.8950 -0.8950 3.2386 3.2386 4.7485 4.7485 5.8847 5.8847 6.9502 6.9502 7.2595 7.2595 7.6989 7.6989 7.7347 7.7347 7.8626 7.8626 8.0011 8.0011 8.1280 8.1280 8.2458 8.2458 8.7042 8.7042 11.8688 11.8688 13.5591 13.5591 14.1326 14.1326 15.0683 15.0683 15.2817 15.2817 15.6836 15.6836 k =-0.1212 0.2653 0.2917 ( 4505 PWs) bands (ev): -16.6468 -16.6468 -16.5249 -16.5249 -8.8181 -8.8181 -8.5605 -8.5605 -8.1354 -8.1354 -7.0171 -7.0171 -6.5837 -6.5837 -6.4441 -6.4441 -4.8000 -4.8000 -4.1838 -4.1838 -3.6287 -3.6287 -3.0269 -3.0269 -3.0044 -3.0044 -1.2222 -1.2222 -1.1592 -1.1592 -1.0123 -1.0123 -0.8941 -0.8941 3.2869 3.2869 4.7454 4.7454 5.8764 5.8764 6.9016 6.9016 7.2860 7.2860 7.7035 7.7035 7.7399 7.7399 7.8552 7.8552 8.0217 8.0217 8.1450 8.1450 8.2198 8.2198 8.6914 8.6914 11.7709 11.7709 13.5200 13.5200 14.0905 14.0905 14.9691 14.9691 15.2534 15.2534 15.6561 15.6561 k =-0.1145 0.2506 0.2755 ( 4509 PWs) bands (ev): -16.6498 -16.6498 -16.5249 -16.5249 -8.8183 -8.8183 -8.5782 -8.5782 -8.1540 -8.1540 -7.0130 -7.0130 -6.5680 -6.5680 -6.4451 -6.4451 -4.7986 -4.7986 -4.1399 -4.1399 -3.6143 -3.6143 -3.0253 -3.0253 -3.0058 -3.0058 -1.2160 -1.2160 -1.1594 -1.1594 -1.0161 -1.0161 -0.8936 -0.8936 3.3388 3.3388 4.7424 4.7424 5.8685 5.8685 6.8432 6.8432 7.3111 7.3111 7.7080 7.7080 7.7442 7.7442 7.8500 7.8500 8.0421 8.0421 8.1599 8.1599 8.2041 8.2041 8.6773 8.6773 11.6769 11.6769 13.4841 13.4841 14.0447 14.0447 14.8734 14.8734 15.2265 15.2265 15.6074 15.6074 k =-0.1077 0.2359 0.2593 ( 4501 PWs) bands (ev): -16.6527 -16.6527 -16.5248 -16.5248 -8.8184 -8.8184 -8.5974 -8.5974 -8.1692 -8.1692 -7.0090 -7.0090 -6.5535 -6.5535 -6.4461 -6.4461 -4.7972 -4.7972 -4.0999 -4.0999 -3.5965 -3.5965 -3.0236 -3.0236 -3.0075 -3.0075 -1.2099 -1.2099 -1.1592 -1.1592 -1.0203 -1.0203 -0.8934 -0.8934 3.3943 3.3943 4.7396 4.7396 5.8610 5.8610 6.7748 6.7748 7.3342 7.3342 7.7122 7.7122 7.7476 7.7476 7.8475 7.8475 8.0623 8.0623 8.1690 8.1690 8.2023 8.2023 8.6617 8.6617 11.5870 11.5870 13.4512 13.4512 13.9955 13.9955 14.7821 14.7821 15.2008 15.2008 15.5543 15.5543 k =-0.1010 0.2211 0.2431 ( 4493 PWs) bands (ev): -16.6555 -16.6555 -16.5249 -16.5249 -8.8186 -8.8186 -8.6176 -8.6176 -8.1814 -8.1814 -7.0050 -7.0050 -6.5402 -6.5402 -6.4470 -6.4470 -4.7958 -4.7958 -4.0643 -4.0643 -3.5752 -3.5752 -3.0220 -3.0220 -3.0095 -3.0095 -1.2042 -1.2042 -1.1584 -1.1584 -1.0249 -1.0249 -0.8937 -0.8937 3.4533 3.4533 4.7370 4.7370 5.8537 5.8537 6.6971 6.6971 7.3549 7.3549 7.7162 7.7162 7.7507 7.7507 7.8482 7.8482 8.0822 8.0822 8.1730 8.1730 8.2129 8.2129 8.6448 8.6448 11.5014 11.5014 13.4216 13.4216 13.9437 13.9437 14.6960 14.6960 15.1764 15.1764 15.5011 15.5011 k =-0.0943 0.2064 0.2269 ( 4491 PWs) bands (ev): -16.6582 -16.6582 -16.5249 -16.5249 -8.8188 -8.8188 -8.6386 -8.6386 -8.1910 -8.1910 -7.0011 -7.0011 -6.5280 -6.5280 -6.4479 -6.4479 -4.7945 -4.7945 -4.0334 -4.0334 -3.5504 -3.5504 -3.0204 -3.0204 -3.0116 -3.0116 -1.1989 -1.1989 -1.1570 -1.1570 -1.0299 -1.0299 -0.8942 -0.8942 3.5159 3.5159 4.7348 4.7348 5.8465 5.8465 6.6108 6.6108 7.3728 7.3728 7.7198 7.7198 7.7538 7.7538 7.8525 7.8525 8.1016 8.1016 8.1785 8.1785 8.2281 8.2281 8.6266 8.6266 11.4203 11.4203 13.3952 13.3952 13.8899 13.8899 14.6155 14.6155 15.1532 15.1532 15.4486 15.4486 k =-0.0875 0.1916 0.2107 ( 4493 PWs) bands (ev): -16.6608 -16.6608 -16.5250 -16.5250 -8.8191 -8.8191 -8.6597 -8.6597 -8.1984 -8.1984 -6.9973 -6.9973 -6.5168 -6.5168 -6.4487 -6.4487 -4.7932 -4.7932 -4.0071 -4.0071 -3.5226 -3.5226 -3.0188 -3.0188 -3.0139 -3.0139 -1.1943 -1.1943 -1.1548 -1.1548 -1.0352 -1.0352 -0.8949 -0.8949 3.5821 3.5821 4.7330 4.7330 5.8393 5.8393 6.5171 6.5171 7.3876 7.3876 7.7232 7.7232 7.7573 7.7573 7.8607 7.8607 8.1206 8.1206 8.1875 8.1875 8.2444 8.2444 8.6070 8.6070 11.3437 11.3437 13.3720 13.3720 13.8349 13.8349 14.5410 14.5410 15.1313 15.1313 15.3975 15.3975 k =-0.0808 0.1769 0.1945 ( 4497 PWs) bands (ev): -16.6632 -16.6632 -16.5251 -16.5251 -8.8193 -8.8193 -8.6805 -8.6805 -8.2039 -8.2039 -6.9937 -6.9937 -6.5067 -6.5067 -6.4495 -6.4495 -4.7920 -4.7920 -3.9852 -3.9852 -3.4923 -3.4923 -3.0174 -3.0174 -3.0163 -3.0163 -1.1903 -1.1903 -1.1520 -1.1520 -1.0407 -1.0407 -0.8958 -0.8958 3.6517 3.6517 4.7317 4.7317 5.8317 5.8317 6.4173 6.4173 7.3991 7.3991 7.7265 7.7265 7.7612 7.7612 7.8727 7.8727 8.1392 8.1392 8.1996 8.1996 8.2608 8.2608 8.5862 8.5862 11.2718 11.2718 13.3518 13.3518 13.7795 13.7795 14.4727 14.4727 15.1106 15.1106 15.3481 15.3481 k =-0.0741 0.1622 0.1783 ( 4493 PWs) bands (ev): -16.6655 -16.6655 -16.5253 -16.5253 -8.8196 -8.8196 -8.7008 -8.7008 -8.2081 -8.2081 -6.9902 -6.9902 -6.4975 -6.4975 -6.4501 -6.4501 -4.7908 -4.7908 -3.9672 -3.9672 -3.4605 -3.4605 -3.0193 -3.0193 -3.0156 -3.0156 -1.1871 -1.1871 -1.1485 -1.1485 -1.0464 -1.0464 -0.8969 -0.8969 3.7245 3.7245 4.7312 4.7312 5.8231 5.8231 6.3133 6.3133 7.4075 7.4075 7.7297 7.7297 7.7655 7.7655 7.8887 7.8887 8.1572 8.1572 8.2140 8.2140 8.2768 8.2768 8.5642 8.5642 11.2048 11.2048 13.3345 13.3345 13.7247 13.7247 14.4104 14.4104 15.0912 15.0912 15.3009 15.3009 k =-0.0673 0.1474 0.1621 ( 4495 PWs) bands (ev): -16.6677 -16.6677 -16.5254 -16.5254 -8.8198 -8.8198 -8.7201 -8.7201 -8.2110 -8.2110 -6.9870 -6.9870 -6.4892 -6.4892 -6.4508 -6.4508 -4.7897 -4.7897 -3.9527 -3.9527 -3.4279 -3.4279 -3.0222 -3.0222 -3.0141 -3.0141 -1.1845 -1.1845 -1.1445 -1.1445 -1.0521 -1.0521 -0.8981 -0.8981 3.8003 3.8003 4.7316 4.7316 5.8126 5.8126 6.2073 6.2073 7.4130 7.4130 7.7330 7.7330 7.7701 7.7701 7.9081 7.9081 8.1743 8.1743 8.2298 8.2298 8.2922 8.2922 8.5411 8.5411 11.1428 11.1428 13.3200 13.3200 13.6714 13.6714 14.3541 14.3541 15.0729 15.0729 15.2563 15.2563 k =-0.0606 0.1327 0.1459 ( 4495 PWs) bands (ev): -16.6696 -16.6696 -16.5255 -16.5255 -8.8201 -8.8201 -8.7382 -8.7382 -8.2131 -8.2131 -6.9840 -6.9840 -6.4818 -6.4818 -6.4513 -6.4513 -4.7886 -4.7886 -3.9409 -3.9409 -3.3955 -3.3955 -3.0253 -3.0253 -3.0126 -3.0126 -1.1825 -1.1825 -1.1403 -1.1403 -1.0578 -1.0578 -0.8993 -0.8993 3.8787 3.8787 4.7333 4.7333 5.7974 5.7974 6.1029 6.1029 7.4162 7.4162 7.7363 7.7363 7.7747 7.7747 7.9308 7.9308 8.1903 8.1903 8.2461 8.2461 8.3070 8.3070 8.5171 8.5171 11.0859 11.0859 13.3080 13.3080 13.6205 13.6205 14.3037 14.3037 15.0558 15.0558 15.2148 15.2149 k =-0.0539 0.1179 0.1296 ( 4495 PWs) bands (ev): -16.6714 -16.6714 -16.5257 -16.5257 -8.8203 -8.8203 -8.7549 -8.7549 -8.2146 -8.2146 -6.9812 -6.9812 -6.4754 -6.4754 -6.4517 -6.4517 -4.7877 -4.7877 -3.9316 -3.9316 -3.3641 -3.3641 -3.0286 -3.0286 -3.0113 -3.0113 -1.1808 -1.1808 -1.1359 -1.1359 -1.0634 -1.0634 -0.9006 -0.9006 3.9589 3.9589 4.7369 4.7369 5.7715 5.7715 6.0074 6.0074 7.4174 7.4174 7.7395 7.7395 7.7792 7.7792 7.9560 7.9560 8.2047 8.2047 8.2624 8.2624 8.3211 8.3211 8.4923 8.4923 11.0342 11.0342 13.2984 13.2984 13.5727 13.5727 14.2589 14.2589 15.0397 15.0397 15.1770 15.1770 k =-0.0471 0.1032 0.1134 ( 4497 PWs) bands (ev): -16.6730 -16.6730 -16.5258 -16.5258 -8.8205 -8.8205 -8.7700 -8.7700 -8.2155 -8.2155 -6.9787 -6.9787 -6.4698 -6.4698 -6.4520 -6.4520 -4.7868 -4.7868 -3.9241 -3.9241 -3.3343 -3.3343 -3.0321 -3.0321 -3.0100 -3.0100 -1.1795 -1.1795 -1.1316 -1.1316 -1.0688 -1.0688 -0.9018 -0.9018 4.0401 4.0401 4.7430 4.7430 5.7226 5.7226 5.9340 5.9340 7.4172 7.4172 7.7426 7.7426 7.7835 7.7835 7.9834 7.9834 8.2173 8.2173 8.2779 8.2779 8.3343 8.3343 8.4669 8.4669 10.9880 10.9880 13.2908 13.2908 13.5288 13.5288 14.2197 14.2197 15.0245 15.0245 15.1432 15.1432 k =-0.0404 0.0884 0.0972 ( 4497 PWs) bands (ev): -16.6744 -16.6744 -16.5260 -16.5260 -8.8207 -8.8207 -8.7833 -8.7833 -8.2160 -8.2160 -6.9765 -6.9765 -6.4651 -6.4651 -6.4521 -6.4521 -4.7861 -4.7861 -3.9182 -3.9182 -3.3068 -3.3068 -3.0356 -3.0356 -3.0088 -3.0088 -1.1784 -1.1784 -1.1274 -1.1274 -1.0739 -1.0739 -0.9029 -0.9029 4.1206 4.1206 4.7530 4.7530 5.6433 5.6433 5.8911 5.8911 7.4161 7.4161 7.7455 7.7455 7.7875 7.7875 8.0122 8.0122 8.2277 8.2277 8.2920 8.2920 8.3467 8.3467 8.4415 8.4415 10.9474 10.9474 13.2849 13.2849 13.4895 13.4895 14.1860 14.1860 15.0102 15.0102 15.1141 15.1141 k =-0.0337 0.0737 0.0810 ( 4501 PWs) bands (ev): -16.6756 -16.6756 -16.5261 -16.5261 -8.8209 -8.8209 -8.7947 -8.7947 -8.2163 -8.2163 -6.9747 -6.9747 -6.4615 -6.4615 -6.4520 -6.4520 -4.7854 -4.7854 -3.9136 -3.9136 -3.2823 -3.2823 -3.0392 -3.0392 -3.0077 -3.0077 -1.1775 -1.1775 -1.1236 -1.1236 -1.0786 -1.0786 -0.9039 -0.9039 4.1983 4.1983 4.7686 4.7686 5.5440 5.5440 5.8694 5.8694 7.4146 7.4146 7.7481 7.7481 7.7910 7.7910 8.0420 8.0420 8.2354 8.2354 8.3042 8.3042 8.3579 8.3579 8.4165 8.4165 10.9126 10.9126 13.2806 13.2806 13.4554 13.4554 14.1576 14.1576 14.9967 14.9967 15.0901 15.0901 k =-0.0269 0.0590 0.0648 ( 4519 PWs) bands (ev): -16.6766 -16.6766 -16.5262 -16.5262 -8.8211 -8.8211 -8.8042 -8.8042 -8.2165 -8.2165 -6.9731 -6.9731 -6.4590 -6.4590 -6.4514 -6.4514 -4.7849 -4.7849 -3.9100 -3.9100 -3.2612 -3.2612 -3.0427 -3.0427 -3.0068 -3.0068 -1.1768 -1.1768 -1.1202 -1.1202 -1.0827 -1.0827 -0.9048 -0.9048 4.2697 4.2697 4.7926 4.7926 5.4368 5.4368 5.8577 5.8577 7.4128 7.4128 7.7504 7.7504 7.7940 7.7940 8.0721 8.0721 8.2397 8.2397 8.3142 8.3142 8.3677 8.3677 8.3931 8.3931 10.8838 10.8838 13.2775 13.2775 13.4268 13.4268 14.1344 14.1344 14.9843 14.9843 15.0711 15.0711 k =-0.0202 0.0442 0.0486 ( 4529 PWs) bands (ev): -16.6773 -16.6773 -16.5263 -16.5263 -8.8212 -8.8212 -8.8116 -8.8116 -8.2165 -8.2165 -6.9719 -6.9719 -6.4576 -6.4576 -6.4504 -6.4504 -4.7845 -4.7845 -3.9074 -3.9074 -3.2439 -3.2439 -3.0459 -3.0459 -3.0060 -3.0060 -1.1763 -1.1763 -1.1173 -1.1173 -1.0863 -1.0863 -0.9055 -0.9055 4.3307 4.3307 4.8284 4.8284 5.3283 5.3283 5.8510 5.8510 7.4112 7.4112 7.7522 7.7522 7.7964 7.7964 8.1017 8.1017 8.2396 8.2396 8.3215 8.3215 8.3729 8.3729 8.3759 8.3759 10.8612 10.8612 13.2753 13.2753 13.4042 13.4042 14.1164 14.1164 14.9736 14.9736 15.0571 15.0571 k =-0.0135 0.0295 0.0324 ( 4523 PWs) bands (ev): -16.6779 -16.6779 -16.5263 -16.5263 -8.8214 -8.8214 -8.8168 -8.8168 -8.2165 -8.2165 -6.9710 -6.9710 -6.4569 -6.4569 -6.4494 -6.4494 -4.7842 -4.7842 -3.9057 -3.9057 -3.2311 -3.2311 -3.0485 -3.0485 -3.0055 -3.0055 -1.1759 -1.1759 -1.1149 -1.1149 -1.0891 -1.0891 -0.9061 -0.9061 4.3768 4.3768 4.8791 4.8791 5.2220 5.2220 5.8470 5.8470 7.4099 7.4099 7.7536 7.7536 7.7981 7.7981 8.1297 8.1297 8.2341 8.2341 8.3257 8.3257 8.3582 8.3582 8.3821 8.3821 10.8449 10.8449 13.2739 13.2739 13.3879 13.3879 14.1036 14.1036 14.9653 14.9653 15.0475 15.0475 k =-0.0067 0.0147 0.0162 ( 4499 PWs) bands (ev): -16.6782 -16.6782 -16.5263 -16.5263 -8.8219 -8.8219 -8.8197 -8.8197 -8.2165 -8.2165 -6.9705 -6.9705 -6.4566 -6.4566 -6.4486 -6.4486 -4.7840 -4.7840 -3.9046 -3.9046 -3.2232 -3.2232 -3.0502 -3.0502 -3.0051 -3.0051 -1.1756 -1.1756 -1.1134 -1.1134 -1.0909 -1.0909 -0.9064 -0.9064 4.4051 4.4051 4.9459 4.9459 5.1209 5.1209 5.8448 5.8448 7.4091 7.4091 7.7544 7.7544 7.7992 7.7992 8.1533 8.1533 8.2243 8.2243 8.3269 8.3269 8.3506 8.3506 8.3859 8.3859 10.8351 10.8351 13.2732 13.2732 13.3780 13.3780 14.0959 14.0959 14.9600 14.9600 15.0420 15.0420 k = 0.0000 0.0000 0.0000 ( 4515 PWs) bands (ev): -16.6783 -16.6783 -16.5264 -16.5264 -8.8223 -8.8223 -8.8203 -8.8203 -8.2165 -8.2165 -6.9703 -6.9703 -6.4565 -6.4565 -6.4484 -6.4484 -4.7839 -4.7839 -3.9043 -3.9043 -3.2206 -3.2206 -3.0508 -3.0508 -3.0050 -3.0050 -1.1755 -1.1755 -1.1128 -1.1128 -1.0915 -1.0915 -0.9065 -0.9065 4.4145 4.4145 5.0216 5.0216 5.0336 5.0336 5.8441 5.8441 7.4088 7.4088 7.7547 7.7547 7.7995 7.7995 8.1643 8.1643 8.2178 8.2178 8.3267 8.3267 8.3486 8.3486 8.3872 8.3872 10.8318 10.8318 13.2730 13.2730 13.3747 13.3747 14.0933 14.0933 14.9581 14.9581 15.0402 15.0402 k = 0.0000 0.0000 0.0000 ( 4515 PWs) bands (ev): -16.6783 -16.6783 -16.5264 -16.5264 -8.8223 -8.8223 -8.8203 -8.8203 -8.2165 -8.2165 -6.9703 -6.9703 -6.4565 -6.4565 -6.4484 -6.4484 -4.7839 -4.7839 -3.9043 -3.9043 -3.2206 -3.2206 -3.0508 -3.0508 -3.0050 -3.0050 -1.1755 -1.1755 -1.1128 -1.1128 -1.0915 -1.0915 -0.9065 -0.9065 4.4145 4.4145 5.0216 5.0216 5.0336 5.0336 5.8441 5.8441 7.4088 7.4088 7.7547 7.7547 7.7995 7.7995 8.1643 8.1643 8.2178 8.2178 8.3267 8.3267 8.3486 8.3486 8.3872 8.3872 10.8318 10.8318 13.2730 13.2730 13.3747 13.3747 14.0933 14.0933 14.9581 14.9581 15.0402 15.0402 k = 0.0208 0.0095-0.0000 ( 4503 PWs) bands (ev): -16.6782 -16.6782 -16.5265 -16.5265 -8.8221 -8.8221 -8.8203 -8.8203 -8.2171 -8.2171 -6.9700 -6.9700 -6.4563 -6.4563 -6.4484 -6.4484 -4.7839 -4.7839 -3.9033 -3.9033 -3.2205 -3.2205 -3.0506 -3.0506 -3.0056 -3.0056 -1.1783 -1.1783 -1.1101 -1.1101 -1.0926 -1.0926 -0.9067 -0.9067 4.4146 4.4146 5.0217 5.0217 5.0334 5.0334 5.8462 5.8462 7.4090 7.4090 7.7536 7.7536 7.7984 7.7984 8.1618 8.1618 8.2185 8.2185 8.3271 8.3271 8.3483 8.3483 8.3875 8.3875 10.8360 10.8360 13.2651 13.2651 13.3763 13.3763 14.1025 14.1025 14.9595 14.9595 15.0421 15.0421 k = 0.0417 0.0190-0.0000 ( 4515 PWs) bands (ev): -16.6777 -16.6777 -16.5270 -16.5270 -8.8214 -8.8214 -8.8203 -8.8203 -8.2192 -8.2192 -6.9691 -6.9691 -6.4555 -6.4555 -6.4484 -6.4484 -4.7839 -4.7839 -3.9003 -3.9003 -3.2205 -3.2205 -3.0500 -3.0500 -3.0076 -3.0076 -1.1853 -1.1853 -1.1029 -1.1029 -1.0957 -1.0957 -0.9074 -0.9074 4.4148 4.4148 5.0221 5.0221 5.0326 5.0326 5.8522 5.8522 7.4095 7.4095 7.7504 7.7504 7.7951 7.7951 8.1543 8.1543 8.2205 8.2205 8.3280 8.3280 8.3475 8.3475 8.3886 8.3886 10.8485 10.8485 13.2425 13.2425 13.3811 13.3811 14.1289 14.1289 14.9633 14.9633 15.0478 15.0478 k = 0.0625 0.0286-0.0000 ( 4515 PWs) bands (ev): -16.6770 -16.6770 -16.5278 -16.5278 -8.8203 -8.8203 -8.8203 -8.8203 -8.2225 -8.2225 -6.9677 -6.9677 -6.4543 -6.4543 -6.4484 -6.4484 -4.7839 -4.7839 -3.8953 -3.8953 -3.2205 -3.2205 -3.0491 -3.0491 -3.0108 -3.0108 -1.1948 -1.1948 -1.1007 -1.1007 -1.0932 -1.0932 -0.9084 -0.9084 4.4151 4.4151 5.0226 5.0226 5.0313 5.0313 5.8621 5.8621 7.4104 7.4104 7.7453 7.7453 7.7896 7.7896 8.1419 8.1419 8.2237 8.2237 8.3295 8.3295 8.3463 8.3463 8.3906 8.3906 10.8685 10.8685 13.2080 13.2080 13.3890 13.3890 14.1698 14.1698 14.9671 14.9671 15.0572 15.0572 k = 0.0833 0.0381-0.0000 ( 4519 PWs) bands (ev): -16.6759 -16.6759 -16.5289 -16.5289 -8.8203 -8.8203 -8.8187 -8.8187 -8.2270 -8.2270 -6.9658 -6.9658 -6.4525 -6.4525 -6.4484 -6.4484 -4.7838 -4.7838 -3.8884 -3.8884 -3.2205 -3.2205 -3.0480 -3.0480 -3.0150 -3.0150 -1.2055 -1.2055 -1.1078 -1.1078 -1.0823 -1.0823 -0.9099 -0.9099 4.4156 4.4156 5.0233 5.0233 5.0296 5.0296 5.8758 5.8758 7.4117 7.4117 7.7384 7.7384 7.7823 7.7823 8.1251 8.1251 8.2279 8.2279 8.3311 8.3311 8.3450 8.3450 8.3934 8.3934 10.8955 10.8955 13.1647 13.1647 13.4001 13.4001 14.2218 14.2218 14.9565 14.9565 15.0453 15.0453 k = 0.1042 0.0476-0.0000 ( 4519 PWs) bands (ev): -16.6746 -16.6746 -16.5303 -16.5303 -8.8203 -8.8203 -8.8168 -8.8168 -8.2326 -8.2326 -6.9635 -6.9635 -6.4503 -6.4503 -6.4484 -6.4484 -4.7838 -4.7838 -3.8796 -3.8796 -3.2205 -3.2205 -3.0472 -3.0472 -3.0199 -3.0199 -1.2166 -1.2166 -1.1167 -1.1167 -1.0707 -1.0707 -0.9117 -0.9117 4.4162 4.4162 5.0243 5.0243 5.0275 5.0275 5.8930 5.8930 7.4133 7.4133 7.7300 7.7300 7.7733 7.7733 8.1043 8.1043 8.2327 8.2327 8.3326 8.3326 8.3438 8.3438 8.3973 8.3973 10.9283 10.9283 13.1156 13.1156 13.4141 13.4141 14.2820 14.2820 14.8961 14.8961 15.0278 15.0278 k = 0.1250 0.0571-0.0000 ( 4511 PWs) bands (ev): -16.6729 -16.6729 -16.5320 -16.5320 -8.8203 -8.8203 -8.8145 -8.8145 -8.2392 -8.2392 -6.9609 -6.9609 -6.4483 -6.4483 -6.4478 -6.4478 -4.7837 -4.7837 -3.8688 -3.8688 -3.2205 -3.2205 -3.0476 -3.0476 -3.0244 -3.0244 -1.2279 -1.2279 -1.1274 -1.1274 -1.0590 -1.0590 -0.9138 -0.9138 4.4169 4.4169 5.0250 5.0250 5.0254 5.0254 5.9135 5.9135 7.4152 7.4152 7.7203 7.7203 7.7628 7.7628 8.0801 8.0801 8.2379 8.2379 8.3339 8.3339 8.3430 8.3430 8.4023 8.4023 10.9656 10.9656 13.0630 13.0630 13.4308 13.4308 14.3479 14.3479 14.8134 14.8134 15.0400 15.0400 k = 0.1458 0.0666-0.0000 ( 4511 PWs) bands (ev): -16.6710 -16.6710 -16.5339 -16.5339 -8.8203 -8.8203 -8.8119 -8.8119 -8.2466 -8.2466 -6.9580 -6.9580 -6.4483 -6.4483 -6.4448 -6.4448 -4.7837 -4.7837 -3.8563 -3.8563 -3.2205 -3.2205 -3.0510 -3.0510 -3.0268 -3.0268 -1.2392 -1.2392 -1.1397 -1.1397 -1.0473 -1.0473 -0.9162 -0.9162 4.4178 4.4178 5.0222 5.0222 5.0266 5.0266 5.9370 5.9370 7.4174 7.4174 7.7095 7.7095 7.7513 7.7513 8.0532 8.0532 8.2430 8.2430 8.3346 8.3346 8.3429 8.3429 8.4083 8.4083 11.0061 11.0061 13.0087 13.0087 13.4501 13.4501 14.4174 14.4174 14.7310 14.7310 15.0604 15.0604 k = 0.1667 0.0761-0.0000 ( 4519 PWs) bands (ev): -16.6689 -16.6689 -16.5362 -16.5362 -8.8203 -8.8203 -8.8090 -8.8090 -8.2547 -8.2547 -6.9549 -6.9549 -6.4483 -6.4483 -6.4416 -6.4416 -4.7836 -4.7836 -3.8419 -3.8419 -3.2205 -3.2205 -3.0582 -3.0582 -3.0263 -3.0263 -1.2502 -1.2502 -1.1535 -1.1535 -1.0358 -1.0358 -0.9188 -0.9188 4.4187 4.4187 5.0192 5.0192 5.0280 5.0280 5.9630 5.9630 7.4197 7.4197 7.6980 7.6980 7.7389 7.7389 8.0243 8.0243 8.2478 8.2478 8.3348 8.3348 8.3435 8.3435 8.4151 8.4151 11.0483 11.0483 12.9541 12.9541 13.4717 13.4717 14.4892 14.4892 14.6533 14.6533 15.0852 15.0852 k = 0.1875 0.0857-0.0000 ( 4515 PWs) bands (ev): -16.6664 -16.6664 -16.5387 -16.5387 -8.8203 -8.8203 -8.8059 -8.8059 -8.2633 -8.2633 -6.9518 -6.9518 -6.4483 -6.4483 -6.4381 -6.4381 -4.7835 -4.7835 -3.8259 -3.8259 -3.2205 -3.2205 -3.0683 -3.0683 -3.0238 -3.0238 -1.2608 -1.2608 -1.1685 -1.1685 -1.0246 -1.0246 -0.9215 -0.9215 4.4198 4.4198 5.0160 5.0160 5.0295 5.0295 5.9913 5.9913 7.4223 7.4223 7.6860 7.6860 7.7259 7.7259 7.9942 7.9942 8.2520 8.2520 8.3346 8.3346 8.3450 8.3450 8.4226 8.4226 11.0908 11.0908 12.9000 12.9000 13.4953 13.4953 14.5619 14.5619 14.5822 14.5822 15.1133 15.1133 k = 0.2083 0.0952-0.0000 ( 4523 PWs) bands (ev): -16.6637 -16.6637 -16.5415 -16.5415 -8.8203 -8.8203 -8.8026 -8.8026 -8.2722 -8.2722 -6.9487 -6.9487 -6.4483 -6.4483 -6.4344 -6.4344 -4.7834 -4.7834 -3.8083 -3.8083 -3.2205 -3.2205 -3.0804 -3.0804 -3.0202 -3.0202 -1.2711 -1.2711 -1.1846 -1.1846 -1.0137 -1.0137 -0.9244 -0.9244 4.4209 4.4209 5.0127 5.0127 5.0311 5.0311 6.0213 6.0213 7.4251 7.4251 7.6738 7.6738 7.7126 7.7126 7.9635 7.9635 8.2553 8.2553 8.3339 8.3339 8.3475 8.3475 8.4305 8.4305 11.1321 11.1321 12.8473 12.8473 13.5203 13.5203 14.5191 14.5191 14.6345 14.6345 15.1442 15.1442 k = 0.2292 0.1047-0.0000 ( 4515 PWs) bands (ev): -16.6608 -16.6608 -16.5445 -16.5445 -8.8203 -8.8203 -8.7992 -8.7992 -8.2813 -8.2813 -6.9457 -6.9457 -6.4483 -6.4483 -6.4306 -6.4306 -4.7833 -4.7833 -3.7892 -3.7892 -3.2205 -3.2205 -3.0939 -3.0939 -3.0161 -3.0161 -1.2809 -1.2809 -1.2016 -1.2016 -1.0033 -1.0033 -0.9274 -0.9274 4.4220 4.4220 5.0094 5.0094 5.0327 5.0327 6.0527 6.0527 7.4279 7.4279 7.6615 7.6615 7.6992 7.6992 7.9329 7.9329 8.2577 8.2577 8.3328 8.3328 8.3509 8.3509 8.4385 8.4385 11.1710 11.1710 12.7966 12.7966 13.5463 13.5463 14.4648 14.4648 14.7061 14.7061 15.1773 15.1773 k = 0.2500 0.1142-0.0000 ( 4519 PWs) bands (ev): -16.6577 -16.6577 -16.5477 -16.5477 -8.8204 -8.8204 -8.7957 -8.7957 -8.2904 -8.2904 -6.9428 -6.9428 -6.4483 -6.4483 -6.4267 -6.4267 -4.7832 -4.7832 -3.7688 -3.7688 -3.2204 -3.2204 -3.1088 -3.1088 -3.0115 -3.0115 -1.2902 -1.2902 -1.2191 -1.2191 -0.9934 -0.9934 -0.9303 -0.9303 4.4232 4.4232 5.0061 5.0061 5.0344 5.0344 6.0848 6.0848 7.4308 7.4308 7.6493 7.6493 7.6860 7.6860 7.9030 7.9030 8.2591 8.2591 8.3315 8.3315 8.3551 8.3551 8.4466 8.4466 11.2064 11.2064 12.7482 12.7482 13.5728 13.5728 14.4201 14.4201 14.7760 14.7760 15.2122 15.2122 k = 0.2708 0.1237-0.0000 ( 4499 PWs) bands (ev): -16.6544 -16.6544 -16.5511 -16.5511 -8.8204 -8.8204 -8.7923 -8.7923 -8.2994 -8.2994 -6.9402 -6.9402 -6.4483 -6.4483 -6.4229 -6.4229 -4.7832 -4.7832 -3.7472 -3.7472 -3.2204 -3.2204 -3.1247 -3.1247 -3.0067 -3.0067 -1.2989 -1.2989 -1.2369 -1.2369 -0.9841 -0.9841 -0.9332 -0.9332 4.4245 4.4245 5.0028 5.0028 5.0360 5.0360 6.1171 6.1171 7.4338 7.4338 7.6376 7.6376 7.6731 7.6731 7.8742 7.8742 8.2596 8.2596 8.3301 8.3301 8.3599 8.3599 8.4545 8.4545 11.2375 11.2375 12.7027 12.7027 13.5990 13.5990 14.3853 14.3853 14.8433 14.8433 15.2484 15.2484 k = 0.2917 0.1332-0.0000 ( 4500 PWs) bands (ev): -16.6509 -16.6509 -16.5547 -16.5547 -8.8204 -8.8204 -8.7889 -8.7889 -8.3081 -8.3081 -6.9377 -6.9377 -6.4483 -6.4483 -6.4191 -6.4191 -4.7831 -4.7831 -3.7247 -3.7247 -3.2204 -3.2204 -3.1415 -3.1415 -3.0017 -3.0017 -1.3069 -1.3069 -1.2547 -1.2547 -0.9754 -0.9754 -0.9360 -0.9360 4.4257 4.4257 4.9997 4.9997 5.0377 5.0377 6.1492 6.1492 7.4366 7.4366 7.6263 7.6263 7.6607 7.6607 7.8469 7.8469 8.2595 8.2595 8.3285 8.3285 8.3651 8.3651 8.4621 8.4621 11.2637 11.2637 12.6602 12.6602 13.6245 13.6245 14.3605 14.3605 14.9074 14.9074 15.2853 15.2853 k = 0.3125 0.1428-0.0000 ( 4492 PWs) bands (ev): -16.6473 -16.6473 -16.5584 -16.5584 -8.8204 -8.8204 -8.7856 -8.7856 -8.3163 -8.3163 -6.9355 -6.9355 -6.4483 -6.4483 -6.4155 -6.4155 -4.7830 -4.7830 -3.7014 -3.7014 -3.2204 -3.2204 -3.1592 -3.1592 -2.9968 -2.9968 -1.3143 -1.3143 -1.2721 -1.2721 -0.9674 -0.9674 -0.9386 -0.9386 4.4269 4.4269 4.9967 4.9967 5.0393 5.0393 6.1804 6.1804 7.4394 7.4394 7.6157 7.6157 7.6491 7.6491 7.8215 7.8215 8.2588 8.2588 8.3269 8.3269 8.3703 8.3703 8.4693 8.4693 11.2848 11.2848 12.6211 12.6211 13.6485 13.6485 14.3452 14.3452 14.9677 14.9677 15.3223 15.3223 k = 0.3333 0.1523-0.0000 ( 4484 PWs) bands (ev): -16.6435 -16.6435 -16.5622 -16.5622 -8.8204 -8.8204 -8.7825 -8.7825 -8.3240 -8.3240 -6.9335 -6.9335 -6.4482 -6.4482 -6.4122 -6.4122 -4.7829 -4.7829 -3.6777 -3.6777 -3.2204 -3.2204 -3.1775 -3.1775 -2.9920 -2.9920 -1.3210 -1.3210 -1.2889 -1.2889 -0.9601 -0.9601 -0.9411 -0.9411 4.4280 4.4280 4.9939 4.9939 5.0408 5.0408 6.2102 6.2102 7.4421 7.4421 7.6059 7.6059 7.6383 7.6383 7.7983 7.7983 8.2579 8.2579 8.3252 8.3252 8.3755 8.3755 8.4758 8.4758 11.3010 11.3010 12.5856 12.5856 13.6708 13.6708 14.3384 14.3384 15.0234 15.0234 15.3588 15.3588 k = 0.3542 0.1618-0.0000 ( 4484 PWs) bands (ev): -16.6397 -16.6397 -16.5661 -16.5661 -8.8204 -8.8204 -8.7797 -8.7797 -8.3310 -8.3310 -6.9318 -6.9318 -6.4482 -6.4482 -6.4091 -6.4091 -4.7828 -4.7828 -3.6540 -3.6540 -3.2204 -3.2204 -3.1961 -3.1961 -2.9874 -2.9874 -1.3270 -1.3270 -1.3047 -1.3047 -0.9536 -0.9536 -0.9433 -0.9433 4.4291 4.4291 4.9914 4.9914 5.0422 5.0422 6.2380 6.2380 7.4446 7.4446 7.5969 7.5969 7.6285 7.6285 7.7775 7.7775 8.2567 8.2567 8.3237 8.3237 8.3804 8.3804 8.4818 8.4818 11.3127 11.3127 12.5538 12.5538 13.6909 13.6909 14.3387 14.3387 15.0740 15.0740 15.3940 15.3941 k = 0.3750 0.1713-0.0000 ( 4488 PWs) bands (ev): -16.6359 -16.6359 -16.5700 -16.5700 -8.8204 -8.8204 -8.7771 -8.7771 -8.3373 -8.3373 -6.9303 -6.9303 -6.4482 -6.4482 -6.4063 -6.4063 -4.7828 -4.7828 -3.6305 -3.6305 -3.2204 -3.2204 -3.2149 -3.2149 -2.9831 -2.9831 -1.3323 -1.3323 -1.3191 -1.3191 -0.9479 -0.9479 -0.9453 -0.9453 4.4300 4.4300 4.9891 4.9891 5.0434 5.0434 6.2633 6.2633 7.4468 7.4468 7.5890 7.5890 7.6198 7.6198 7.7593 7.7593 8.2555 8.2555 8.3223 8.3223 8.3849 8.3849 8.4871 8.4871 11.3204 11.3204 12.5260 12.5260 13.7086 13.7086 14.3445 14.3445 15.1189 15.1189 15.4272 15.4272 k = 0.3958 0.1808-0.0000 ( 4480 PWs) bands (ev): -16.6321 -16.6321 -16.5739 -16.5739 -8.8204 -8.8204 -8.7748 -8.7748 -8.3427 -8.3427 -6.9291 -6.9291 -6.4482 -6.4482 -6.4038 -6.4038 -4.7827 -4.7827 -3.6079 -3.6079 -3.2332 -3.2332 -3.2204 -3.2204 -2.9793 -2.9793 -1.3368 -1.3368 -1.3320 -1.3320 -0.9471 -0.9471 -0.9430 -0.9430 4.4309 4.4309 4.9871 4.9871 5.0445 5.0445 6.2857 6.2857 7.4487 7.4487 7.5822 7.5822 7.6122 7.6122 7.7437 7.7437 8.2543 8.2543 8.3210 8.3210 8.3888 8.3888 8.4917 8.4917 11.3249 11.3249 12.5022 12.5022 13.7239 13.7239 14.3537 14.3537 15.1577 15.1577 15.4573 15.4573 k = 0.4167 0.1903-0.0000 ( 4484 PWs) bands (ev): -16.6285 -16.6285 -16.5776 -16.5776 -8.8204 -8.8204 -8.7729 -8.7729 -8.3472 -8.3472 -6.9282 -6.9282 -6.4482 -6.4482 -6.4018 -6.4018 -4.7826 -4.7826 -3.5868 -3.5868 -3.2506 -3.2506 -3.2203 -3.2203 -2.9760 -2.9760 -1.3429 -1.3429 -1.3405 -1.3405 -0.9485 -0.9485 -0.9390 -0.9390 4.4316 4.4316 4.9855 4.9855 5.0455 5.0455 6.3046 6.3046 7.4504 7.4504 7.5765 7.5765 7.6059 7.6059 7.7309 7.7309 8.2532 8.2532 8.3199 8.3199 8.3922 8.3922 8.4954 8.4954 11.3272 11.3272 12.4826 12.4826 13.7366 13.7366 14.3644 14.3644 15.1900 15.1900 15.4836 15.4836 k = 0.4375 0.1999-0.0000 ( 4484 PWs) bands (ev): -16.6251 -16.6251 -16.5809 -16.5809 -8.8204 -8.8204 -8.7714 -8.7714 -8.3508 -8.3508 -6.9274 -6.9274 -6.4482 -6.4482 -6.4002 -6.4002 -4.7826 -4.7826 -3.5683 -3.5683 -3.2662 -3.2662 -3.2203 -3.2203 -2.9734 -2.9734 -1.3517 -1.3517 -1.3433 -1.3433 -0.9497 -0.9497 -0.9358 -0.9358 4.4322 4.4322 4.9842 4.9842 5.0462 5.0462 6.3197 6.3197 7.4517 7.4517 7.5720 7.5720 7.6010 7.6010 7.7209 7.7209 8.2523 8.2523 8.3190 8.3190 8.3948 8.3948 8.4984 8.4984 11.3279 11.3279 12.4673 12.4673 13.7466 13.7466 14.3748 14.3748 15.2153 15.2153 15.5007 15.5051 k = 0.4583 0.2094-0.0000 ( 4480 PWs) bands (ev): -16.6224 -16.6224 -16.5837 -16.5837 -8.8204 -8.8204 -8.7704 -8.7704 -8.3534 -8.3534 -6.9269 -6.9269 -6.4482 -6.4482 -6.3990 -6.3990 -4.7826 -4.7826 -3.5535 -3.5535 -3.2789 -3.2789 -3.2203 -3.2203 -2.9714 -2.9714 -1.3582 -1.3582 -1.3454 -1.3454 -0.9505 -0.9505 -0.9335 -0.9335 4.4326 4.4326 4.9833 4.9833 5.0468 5.0468 6.3307 6.3307 7.4527 7.4527 7.5687 7.5687 7.5974 7.5974 7.7137 7.7137 8.2517 8.2517 8.3184 8.3184 8.3968 8.3968 8.5005 8.5005 11.3279 11.3279 12.4563 12.4563 13.7539 13.7539 14.3833 14.3833 15.2336 15.2336 15.5061 15.5068 k = 0.4792 0.2189-0.0000 ( 4476 PWs) bands (ev): -16.6205 -16.6205 -16.5856 -16.5856 -8.8204 -8.8204 -8.7697 -8.7697 -8.3549 -8.3549 -6.9266 -6.9266 -6.4482 -6.4482 -6.3983 -6.3983 -4.7826 -4.7826 -3.5438 -3.5438 -3.2872 -3.2872 -3.2203 -3.2203 -2.9702 -2.9702 -1.3621 -1.3621 -1.3467 -1.3467 -0.9510 -0.9510 -0.9321 -0.9321 4.4329 4.4329 4.9827 4.9827 5.0471 5.0471 6.3374 6.3374 7.4533 7.4533 7.5668 7.5668 7.5952 7.5952 7.7094 7.7094 8.2513 8.2513 8.3180 8.3180 8.3979 8.3979 8.5018 8.5018 11.3277 11.3277 12.4497 12.4497 13.7583 13.7583 14.3889 14.3889 15.2446 15.2446 15.5106 15.5107 k = 0.5000 0.2284-0.0000 ( 4476 PWs) bands (ev): -16.6198 -16.6198 -16.5863 -16.5863 -8.8204 -8.8204 -8.7695 -8.7695 -8.3555 -8.3555 -6.9265 -6.9265 -6.4482 -6.4482 -6.3981 -6.3981 -4.7826 -4.7826 -3.5404 -3.5404 -3.2902 -3.2902 -3.2203 -3.2203 -2.9698 -2.9698 -1.3634 -1.3634 -1.3471 -1.3471 -0.9512 -0.9512 -0.9317 -0.9317 4.4330 4.4330 4.9825 4.9825 5.0472 5.0472 6.3397 6.3397 7.4535 7.4535 7.5661 7.5661 7.5945 7.5945 7.7080 7.7080 8.2511 8.2511 8.3179 8.3179 8.3983 8.3983 8.5022 8.5022 11.3275 11.3275 12.4475 12.4475 13.7598 13.7598 14.3909 14.3909 15.2483 15.2483 15.5122 15.5122 k = 0.5000 0.2284-0.0000 ( 4476 PWs) bands (ev): -16.6198 -16.6198 -16.5863 -16.5863 -8.8204 -8.8204 -8.7695 -8.7695 -8.3555 -8.3555 -6.9265 -6.9265 -6.4482 -6.4482 -6.3981 -6.3981 -4.7826 -4.7826 -3.5404 -3.5404 -3.2902 -3.2902 -3.2203 -3.2203 -2.9698 -2.9698 -1.3634 -1.3634 -1.3471 -1.3471 -0.9512 -0.9512 -0.9317 -0.9317 4.4330 4.4330 4.9825 4.9825 5.0472 5.0472 6.3397 6.3397 7.4535 7.4535 7.5661 7.5661 7.5945 7.5945 7.7080 7.7080 8.2511 8.2511 8.3179 8.3179 8.3983 8.3983 8.5022 8.5022 11.3275 11.3275 12.4475 12.4475 13.7598 13.7598 14.3909 14.3909 15.2483 15.2483 15.5122 15.5122 k = 0.4932 0.2433 0.0163 ( 4476 PWs) bands (ev): -16.6197 -16.6197 -16.5863 -16.5863 -8.8198 -8.8198 -8.7689 -8.7689 -8.3555 -8.3555 -6.9267 -6.9267 -6.4485 -6.4485 -6.3981 -6.3981 -4.7826 -4.7826 -3.5411 -3.5411 -3.2909 -3.2909 -3.2215 -3.2215 -2.9701 -2.9701 -1.3630 -1.3630 -1.3466 -1.3466 -0.9516 -0.9516 -0.9320 -0.9320 4.4232 4.4232 4.9330 4.9330 5.1085 5.1085 6.3400 6.3400 7.4534 7.4534 7.5662 7.5662 7.5946 7.5946 7.7066 7.7066 8.2515 8.2515 8.3180 8.3180 8.3977 8.3977 8.5014 8.5014 11.3293 11.3293 12.4505 12.4505 13.7614 13.7614 14.3929 14.3929 15.2495 15.2495 15.5140 15.5143 k = 0.4864 0.2581 0.0327 ( 4480 PWs) bands (ev): -16.6194 -16.6194 -16.5862 -16.5862 -8.8183 -8.8183 -8.7670 -8.7670 -8.3555 -8.3555 -6.9274 -6.9274 -6.4493 -6.4493 -6.3984 -6.3984 -4.7828 -4.7828 -3.5431 -3.5431 -3.2931 -3.2931 -3.2249 -3.2249 -2.9708 -2.9708 -1.3617 -1.3617 -1.3450 -1.3450 -0.9529 -0.9529 -0.9327 -0.9327 4.3942 4.3942 4.8750 4.8750 5.2014 5.2014 6.3408 6.3408 7.4530 7.4530 7.5664 7.5664 7.5950 7.5950 7.7024 7.7024 8.2521 8.2521 8.3188 8.3188 8.3959 8.3959 8.4991 8.4991 11.3346 11.3346 12.4595 12.4595 13.7664 13.7664 14.3988 14.3988 15.2531 15.2531 15.5193 15.5209 k = 0.4796 0.2730 0.0490 ( 4484 PWs) bands (ev): -16.6189 -16.6189 -16.5861 -16.5861 -8.8161 -8.8161 -8.7635 -8.7635 -8.3555 -8.3555 -6.9284 -6.9284 -6.4507 -6.4507 -6.3987 -6.3987 -4.7831 -4.7831 -3.5466 -3.5466 -3.2976 -3.2976 -3.2295 -3.2295 -2.9720 -2.9720 -1.3595 -1.3595 -1.3424 -1.3424 -0.9550 -0.9550 -0.9340 -0.9340 4.3474 4.3474 4.8308 4.8308 5.3021 5.3021 6.3422 6.3422 7.4519 7.4519 7.5663 7.5663 7.5959 7.5959 7.6962 7.6962 8.2521 8.2521 8.3209 8.3209 8.3931 8.3931 8.4952 8.4952 11.3435 11.3435 12.4745 12.4745 13.7746 13.7746 14.4086 14.4086 15.2592 15.2592 15.5230 15.5235 k = 0.4729 0.2878 0.0653 ( 4488 PWs) bands (ev): -16.6183 -16.6183 -16.5858 -16.5858 -8.8135 -8.8135 -8.7582 -8.7582 -8.3555 -8.3555 -6.9299 -6.9299 -6.4528 -6.4528 -6.3992 -6.3992 -4.7836 -4.7836 -3.5519 -3.5519 -3.3053 -3.3053 -3.2341 -3.2341 -2.9735 -2.9735 -1.3565 -1.3565 -1.3389 -1.3389 -0.9581 -0.9581 -0.9356 -0.9356 4.2863 4.2863 4.8003 4.8003 5.4068 5.4068 6.3442 6.3442 7.4495 7.4495 7.5655 7.5655 7.5980 7.5980 7.6888 7.6888 8.2502 8.2502 8.3252 8.3252 8.3893 8.3893 8.4900 8.4900 11.3559 11.3559 12.4954 12.4954 13.7861 13.7861 14.4220 14.4220 15.2677 15.2677 15.5160 15.5160 k = 0.4661 0.3027 0.0817 ( 4488 PWs) bands (ev): -16.6174 -16.6174 -16.5856 -16.5856 -8.8110 -8.8110 -8.7507 -8.7507 -8.3554 -8.3554 -6.9318 -6.9318 -6.4554 -6.4554 -6.3997 -6.3997 -4.7841 -4.7841 -3.5593 -3.5593 -3.3168 -3.3168 -3.2374 -3.2374 -2.9755 -2.9755 -1.3528 -1.3528 -1.3343 -1.3343 -0.9621 -0.9621 -0.9377 -0.9377 4.2155 4.2155 4.7804 4.7804 5.5135 5.5135 6.3471 6.3471 7.4452 7.4452 7.5637 7.5637 7.6014 7.6014 7.6814 7.6814 8.2454 8.2454 8.3322 8.3322 8.3850 8.3850 8.4836 8.4836 11.3720 11.3720 12.5221 12.5221 13.8008 13.8008 14.4388 14.4388 15.2785 15.2785 15.5048 15.5048 k = 0.4593 0.3175 0.0980 ( 4492 PWs) bands (ev): -16.6164 -16.6164 -16.5852 -16.5852 -8.8088 -8.8088 -8.7408 -8.7408 -8.3551 -8.3551 -6.9341 -6.9341 -6.4587 -6.4587 -6.4004 -6.4004 -4.7848 -4.7848 -3.5695 -3.5695 -3.3322 -3.3322 -3.2389 -3.2389 -2.9777 -2.9777 -1.3483 -1.3483 -1.3289 -1.3289 -0.9671 -0.9671 -0.9400 -0.9400 4.1391 4.1391 4.7680 4.7680 5.6206 5.6206 6.3511 6.3511 7.4379 7.4379 7.5608 7.5608 7.6062 7.6062 7.6753 7.6753 8.2375 8.2375 8.3413 8.3413 8.3807 8.3807 8.4762 8.4762 11.3917 11.3917 12.5544 12.5544 13.8185 13.8185 14.4587 14.4587 15.2918 15.2918 15.4909 15.4909 k = 0.4525 0.3324 0.1143 ( 4496 PWs) bands (ev): -16.6152 -16.6152 -16.5849 -16.5849 -8.8070 -8.8070 -8.7284 -8.7284 -8.3546 -8.3546 -6.9368 -6.9368 -6.4628 -6.4628 -6.4010 -6.4010 -4.7856 -4.7856 -3.5833 -3.5833 -3.3503 -3.3503 -3.2385 -3.2385 -2.9802 -2.9802 -1.3431 -1.3431 -1.3226 -1.3226 -0.9729 -0.9729 -0.9427 -0.9427 4.0602 4.0602 4.7607 4.7607 5.7264 5.7264 6.3566 6.3566 7.4269 7.4269 7.5568 7.5568 7.6123 7.6123 7.6717 7.6717 8.2268 8.2268 8.3504 8.3504 8.3781 8.3781 8.4681 8.4681 11.4151 11.4151 12.5921 12.5921 13.8393 13.8393 14.4812 14.4812 15.3074 15.3074 15.4752 15.4752 k = 0.4457 0.3472 0.1306 ( 4504 PWs) bands (ev): -16.6138 -16.6138 -16.5844 -16.5844 -8.8058 -8.8058 -8.7136 -8.7136 -8.3537 -8.3537 -6.9398 -6.9398 -6.4676 -6.4676 -6.4017 -6.4017 -4.7865 -4.7865 -3.6014 -3.6014 -3.3697 -3.3697 -3.2367 -3.2367 -2.9829 -2.9829 -1.3373 -1.3373 -1.3156 -1.3156 -0.9797 -0.9797 -0.9456 -0.9456 3.9810 3.9810 4.7568 4.7568 5.8292 5.8292 6.3642 6.3642 7.4117 7.4117 7.5519 7.5519 7.6193 7.6193 7.6714 7.6714 8.2137 8.2137 8.3550 8.3550 8.3816 8.3816 8.4596 8.4596 11.4422 11.4422 12.6351 12.6351 13.8629 13.8629 14.5058 14.5058 15.3251 15.3251 15.4591 15.4591 k = 0.4389 0.3621 0.1470 ( 4506 PWs) bands (ev): -16.6123 -16.6123 -16.5840 -16.5840 -8.8050 -8.8050 -8.6967 -8.6967 -8.3524 -8.3524 -6.9432 -6.9432 -6.4732 -6.4732 -6.4024 -6.4024 -4.7875 -4.7875 -3.6250 -3.6250 -3.3888 -3.3888 -3.2338 -3.2338 -2.9858 -2.9858 -1.3308 -1.3308 -1.3079 -1.3079 -0.9873 -0.9873 -0.9488 -0.9488 3.9027 3.9027 4.7553 4.7553 5.9270 5.9270 6.3751 6.3751 7.3923 7.3923 7.5464 7.5464 7.6268 7.6268 7.6748 7.6748 8.1986 8.1986 8.3534 8.3534 8.3924 8.3924 8.4512 8.4512 11.4732 11.4732 12.6831 12.6831 13.8892 13.8892 14.5318 14.5318 15.3449 15.3449 15.4444 15.4444 k = 0.4321 0.3769 0.1633 ( 4498 PWs) bands (ev): -16.6106 -16.6106 -16.5835 -16.5835 -8.8045 -8.8045 -8.6780 -8.6780 -8.3502 -8.3502 -6.9469 -6.9469 -6.4796 -6.4796 -6.4031 -6.4031 -4.7886 -4.7886 -3.6547 -3.6547 -3.4064 -3.4064 -3.2299 -3.2299 -2.9888 -2.9888 -1.3236 -1.3236 -1.2996 -1.2996 -0.9957 -0.9957 -0.9522 -0.9522 3.8262 3.8262 4.7554 4.7554 6.0169 6.0169 6.3913 6.3913 7.3691 7.3691 7.5402 7.5402 7.6343 7.6343 7.6818 7.6818 8.1818 8.1818 8.3493 8.3493 8.4063 8.4063 8.4438 8.4438 11.5082 11.5082 12.7358 12.7358 13.9182 13.9182 14.5585 14.5585 15.3660 15.3660 15.4330 15.4330 k = 0.4254 0.3918 0.1796 ( 4507 PWs) bands (ev): -16.6088 -16.6088 -16.5830 -16.5830 -8.8043 -8.8043 -8.6578 -8.6578 -8.3471 -8.3471 -6.9509 -6.9509 -6.4869 -6.4869 -6.4037 -6.4037 -4.7897 -4.7897 -3.6906 -3.6906 -3.4218 -3.4218 -3.2253 -3.2253 -2.9920 -2.9920 -1.3159 -1.3159 -1.2908 -1.2908 -1.0049 -1.0049 -0.9558 -0.9558 3.7522 3.7522 4.7568 4.7568 6.0951 6.0951 6.4156 6.4156 7.3427 7.3427 7.5336 7.5336 7.6413 7.6413 7.6921 7.6921 8.1636 8.1636 8.3445 8.3445 8.4206 8.4206 8.4389 8.4389 11.5472 11.5472 12.7929 12.7929 13.9495 13.9495 14.5850 14.5850 15.3860 15.3860 15.4289 15.4289 k = 0.4186 0.4066 0.1960 ( 4515 PWs) bands (ev): -16.6068 -16.6068 -16.5825 -16.5825 -8.8043 -8.8043 -8.6366 -8.6366 -8.3426 -8.3426 -6.9552 -6.9552 -6.4951 -6.4951 -6.4043 -6.4043 -4.7910 -4.7910 -3.7325 -3.7325 -3.4350 -3.4350 -3.2201 -3.2201 -2.9953 -2.9953 -1.3076 -1.3076 -1.2816 -1.2816 -1.0146 -1.0146 -0.9597 -0.9597 3.6810 3.6810 4.7589 4.7589 6.1576 6.1576 6.4513 6.4513 7.3138 7.3138 7.5267 7.5267 7.6473 7.6473 7.7051 7.7051 8.1441 8.1441 8.3391 8.3391 8.4298 8.4298 8.4425 8.4425 11.5904 11.5904 12.8540 12.8540 13.9829 13.9829 14.6106 14.6106 15.3991 15.3991 15.4391 15.4391 k = 0.4118 0.4215 0.2123 ( 4521 PWs) bands (ev): -16.6047 -16.6047 -16.5819 -16.5819 -8.8046 -8.8046 -8.6149 -8.6149 -8.3362 -8.3362 -6.9597 -6.9597 -6.5042 -6.5042 -6.4049 -6.4049 -4.7923 -4.7923 -3.7796 -3.7796 -3.4461 -3.4461 -3.2143 -3.2143 -2.9986 -2.9986 -1.2988 -1.2988 -1.2720 -1.2720 -1.0249 -1.0249 -0.9639 -0.9639 3.6129 3.6129 4.7618 4.7618 6.2024 6.2024 6.4997 6.4997 7.2830 7.2830 7.5196 7.5196 7.6517 7.6517 7.7204 7.7204 8.1237 8.1237 8.3324 8.3324 8.4336 8.4336 8.4560 8.4560 11.6380 11.6380 12.9187 12.9187 14.0183 14.0183 14.6345 14.6345 15.4071 15.4071 15.4630 15.4630 k = 0.4050 0.4364 0.2286 ( 4511 PWs) bands (ev): -16.6025 -16.6025 -16.5814 -16.5814 -8.8049 -8.8049 -8.5934 -8.5934 -8.3274 -8.3274 -6.9644 -6.9644 -6.5144 -6.5144 -6.4055 -6.4055 -4.7936 -4.7936 -3.8312 -3.8312 -3.4556 -3.4556 -3.2081 -3.2081 -3.0021 -3.0021 -1.2895 -1.2895 -1.2623 -1.2623 -1.0357 -1.0357 -0.9682 -0.9682 3.5480 3.5480 4.7650 4.7650 6.2321 6.2321 6.5576 6.5576 7.2508 7.2508 7.5126 7.5126 7.6540 7.6540 7.7375 7.7375 8.1024 8.1024 8.3238 8.3238 8.4414 8.4414 8.4713 8.4713 11.6899 11.6899 12.9865 12.9865 14.0553 14.0553 14.6560 14.6560 15.4184 15.4184 15.4931 15.4931 k = 0.3982 0.4512 0.2450 ( 4503 PWs) bands (ev): -16.6001 -16.6001 -16.5809 -16.5809 -8.8054 -8.8054 -8.5729 -8.5729 -8.3154 -8.3154 -6.9693 -6.9693 -6.5256 -6.5256 -6.4061 -6.4061 -4.7950 -4.7950 -3.8863 -3.8863 -3.4639 -3.4639 -3.2016 -3.2016 -3.0055 -3.0055 -1.2797 -1.2797 -1.2523 -1.2523 -1.0468 -1.0468 -0.9728 -0.9728 3.4865 3.4865 4.7686 4.7686 6.2511 6.2511 6.6201 6.6201 7.2178 7.2178 7.5058 7.5058 7.6541 7.6541 7.7560 7.7560 8.0806 8.0806 8.3133 8.3133 8.4552 8.4552 8.4866 8.4866 11.7465 11.7465 13.0569 13.0569 14.0936 14.0936 14.6748 14.6748 15.4362 15.4362 15.5265 15.5265 k = 0.3914 0.4661 0.2613 ( 4511 PWs) bands (ev): -16.5977 -16.5977 -16.5804 -16.5804 -8.8060 -8.8060 -8.5541 -8.5541 -8.2995 -8.2995 -6.9744 -6.9744 -6.5380 -6.5380 -6.4066 -6.4066 -4.7964 -4.7964 -3.9443 -3.9443 -3.4713 -3.4713 -3.1946 -3.1946 -3.0089 -3.0089 -1.2694 -1.2694 -1.2422 -1.2422 -1.0582 -1.0582 -0.9775 -0.9775 3.4283 3.4283 4.7724 4.7724 6.2635 6.2635 6.6828 6.6828 7.1843 7.1843 7.4992 7.4992 7.6516 7.6516 7.7756 7.7756 8.0584 8.0584 8.3009 8.3009 8.4749 8.4749 8.5019 8.5019 11.8077 11.8077 13.1293 13.1293 14.1330 14.1330 14.6913 14.6913 15.4615 15.4615 15.5622 15.5622 k = 0.3846 0.4809 0.2776 ( 4515 PWs) bands (ev): -16.5952 -16.5952 -16.5800 -16.5800 -8.8066 -8.8066 -8.5377 -8.5377 -8.2792 -8.2792 -6.9795 -6.9795 -6.5515 -6.5515 -6.4072 -6.4072 -4.7979 -4.7979 -4.0044 -4.0044 -3.4780 -3.4780 -3.1874 -3.1874 -3.0123 -3.0123 -1.2588 -1.2588 -1.2320 -1.2320 -1.0698 -1.0698 -0.9825 -0.9825 3.3734 3.3734 4.7762 4.7762 6.2716 6.2716 6.7429 6.7429 7.1508 7.1508 7.4931 7.4931 7.6467 7.6467 7.7959 7.7959 8.0360 8.0360 8.2872 8.2872 8.4991 8.4991 8.5180 8.5180 11.8736 11.8736 13.2031 13.2031 14.1729 14.1729 14.7058 14.7058 15.4941 15.4941 15.5998 15.5998 k = 0.3779 0.4958 0.2939 ( 4505 PWs) bands (ev): -16.5926 -16.5926 -16.5796 -16.5796 -8.8074 -8.8074 -8.5241 -8.5241 -8.2541 -8.2541 -6.9848 -6.9848 -6.5662 -6.5662 -6.4077 -6.4077 -4.7993 -4.7993 -4.0660 -4.0660 -3.4843 -3.4843 -3.1799 -3.1799 -3.0157 -3.0157 -1.2478 -1.2478 -1.2219 -1.2219 -1.0815 -1.0815 -0.9876 -0.9876 3.3218 3.3218 4.7801 4.7801 6.2770 6.2770 6.7991 6.7991 7.1177 7.1177 7.4875 7.4875 7.6396 7.6396 7.8166 7.8166 8.0136 8.0136 8.2723 8.2723 8.5225 8.5225 8.5393 8.5393 11.9441 11.9441 13.2776 13.2776 14.2131 14.2131 14.7193 14.7193 15.5335 15.5335 15.6390 15.6390 k = 0.3711 0.5106 0.3103 ( 4509 PWs) bands (ev): -16.5899 -16.5899 -16.5793 -16.5793 -8.8082 -8.8082 -8.5132 -8.5132 -8.2242 -8.2242 -6.9901 -6.9901 -6.5823 -6.5823 -6.4083 -6.4083 -4.8008 -4.8008 -4.1285 -4.1285 -3.4904 -3.4904 -3.1722 -3.1722 -3.0190 -3.0190 -1.2366 -1.2366 -1.2120 -1.2120 -1.0930 -1.0930 -0.9928 -0.9928 3.2735 3.2735 4.7838 4.7838 6.2804 6.2804 6.8502 6.8502 7.0852 7.0852 7.4826 7.4826 7.6307 7.6307 7.8376 7.8376 7.9913 7.9913 8.2567 8.2567 8.5391 8.5391 8.5708 8.5708 12.0194 12.0194 13.3521 13.3521 14.2530 14.2530 14.7329 14.7329 15.5787 15.5787 15.6794 15.6794 k = 0.3643 0.5255 0.3266 ( 4517 PWs) bands (ev): -16.5871 -16.5871 -16.5790 -16.5790 -8.8090 -8.8090 -8.5049 -8.5049 -8.1900 -8.1900 -6.9954 -6.9954 -6.5997 -6.5997 -6.4088 -6.4088 -4.8022 -4.8022 -4.1914 -4.1914 -3.4964 -3.4964 -3.1644 -3.1644 -3.0222 -3.0222 -1.2250 -1.2250 -1.2024 -1.2024 -1.1041 -1.1041 -0.9982 -0.9982 3.2284 3.2284 4.7874 4.7874 6.2823 6.2823 6.8959 6.8959 7.0540 7.0540 7.4785 7.4785 7.6204 7.6204 7.8585 7.8585 7.9693 7.9693 8.2405 8.2405 8.5529 8.5529 8.6072 8.6072 12.0990 12.0990 13.4256 13.4256 14.2922 14.2922 14.7477 14.7477 15.6285 15.6285 15.7204 15.7204 k = 0.3575 0.5403 0.3429 ( 4521 PWs) bands (ev): -16.5844 -16.5844 -16.5788 -16.5788 -8.8098 -8.8098 -8.4988 -8.4988 -8.1519 -8.1519 -7.0006 -7.0006 -6.6187 -6.6187 -6.4094 -6.4094 -4.8037 -4.8037 -4.2540 -4.2540 -3.5022 -3.5022 -3.1564 -3.1564 -3.0252 -3.0252 -1.2133 -1.2133 -1.1935 -1.1935 -1.1144 -1.1144 -1.0037 -1.0037 3.1864 3.1864 4.7908 4.7908 6.2828 6.2828 6.9350 6.9350 7.0253 7.0253 7.4752 7.4752 7.6094 7.6094 7.8791 7.8791 7.9479 7.9479 8.2238 8.2238 8.5657 8.5657 8.6459 8.6459 12.1829 12.1829 13.4975 13.4975 14.3303 14.3303 14.7648 14.7648 15.6818 15.6818 15.7618 15.7618 k = 0.3507 0.5552 0.3593 ( 4523 PWs) bands (ev): -16.5816 -16.5816 -16.5787 -16.5787 -8.8107 -8.8107 -8.4943 -8.4943 -8.1104 -8.1104 -7.0059 -7.0059 -6.6392 -6.6392 -6.4100 -6.4100 -4.8051 -4.8051 -4.3159 -4.3159 -3.5081 -3.5081 -3.1483 -3.1483 -3.0282 -3.0282 -1.2015 -1.2015 -1.1861 -1.1861 -1.1231 -1.1231 -1.0093 -1.0093 3.1475 3.1475 4.7940 4.7940 6.2821 6.2821 6.9612 6.9612 7.0058 7.0058 7.4730 7.4730 7.5980 7.5980 7.8991 7.8991 7.9272 7.9272 8.2068 8.2068 8.5778 8.5778 8.6853 8.6853 12.2707 12.2707 13.5668 13.5668 14.3667 14.3667 14.7852 14.7852 15.7371 15.7371 15.8031 15.8031 k = 0.3439 0.5700 0.3756 ( 4521 PWs) bands (ev): -16.5788 -16.5788 -16.5786 -16.5786 -8.8116 -8.8116 -8.4911 -8.4911 -8.0662 -8.0662 -7.0110 -7.0110 -6.6614 -6.6614 -6.4106 -6.4106 -4.8064 -4.8064 -4.3765 -4.3765 -3.5141 -3.5141 -3.1402 -3.1402 -3.0309 -3.0309 -1.1897 -1.1897 -1.1813 -1.1813 -1.1289 -1.1289 -1.0150 -1.0150 3.1115 3.1115 4.7968 4.7968 6.2802 6.2802 6.9540 6.9540 7.0163 7.0163 7.4718 7.4718 7.5870 7.5870 7.9060 7.9060 7.9197 7.9197 8.1897 8.1897 8.5894 8.5894 8.7243 8.7243 12.3617 12.3617 13.6330 13.6330 14.4009 14.4009 14.8097 14.8097 15.7928 15.7928 15.8445 15.8445 k = 0.3372 0.5849 0.3919 ( 4531 PWs) bands (ev): -16.5788 -16.5788 -16.5759 -16.5759 -8.8125 -8.8125 -8.4889 -8.4889 -8.0196 -8.0196 -7.0160 -7.0160 -6.6853 -6.6853 -6.4112 -6.4112 -4.8077 -4.8077 -4.4354 -4.4354 -3.5201 -3.5201 -3.1320 -3.1320 -3.0335 -3.0335 -1.1819 -1.1819 -1.1769 -1.1769 -1.1299 -1.1299 -1.0207 -1.0207 3.0783 3.0783 4.7993 4.7993 6.2771 6.2771 6.9319 6.9319 7.0389 7.0389 7.4717 7.4717 7.5768 7.5768 7.8873 7.8873 7.9378 7.9378 8.1725 8.1725 8.6005 8.6005 8.7621 8.7621 12.4555 12.4555 13.6953 13.6953 14.4324 14.4324 14.8387 14.8387 15.8462 15.8462 15.8872 15.8872 k = 0.3304 0.5998 0.4083 ( 4525 PWs) bands (ev): -16.5790 -16.5790 -16.5731 -16.5731 -8.8133 -8.8133 -8.4874 -8.4874 -7.9710 -7.9710 -7.0208 -7.0208 -6.7110 -6.7110 -6.4119 -6.4119 -4.8090 -4.8090 -4.4922 -4.4922 -3.5262 -3.5262 -3.1238 -3.1238 -3.0359 -3.0359 -1.1859 -1.1859 -1.1655 -1.1655 -1.1260 -1.1260 -1.0265 -1.0265 3.0479 3.0479 4.8015 4.8015 6.2728 6.2728 6.9093 6.9093 7.0595 7.0595 7.4728 7.4728 7.5678 7.5678 7.8692 7.8692 7.9554 7.9554 8.1553 8.1553 8.6113 8.6113 8.7979 8.7979 12.5513 12.5513 13.7534 13.7534 14.4607 14.4607 14.8724 14.8724 15.8935 15.8935 15.9339 15.9339 k = 0.3236 0.6146 0.4246 ( 4521 PWs) bands (ev): -16.5793 -16.5793 -16.5702 -16.5702 -8.8141 -8.8141 -8.4865 -8.4865 -7.9210 -7.9210 -7.0254 -7.0254 -6.7385 -6.7385 -6.4126 -6.4126 -4.8102 -4.8102 -4.5462 -4.5462 -3.5325 -3.5325 -3.1157 -3.1157 -3.0381 -3.0381 -1.1930 -1.1930 -1.1537 -1.1537 -1.1189 -1.1189 -1.0323 -1.0323 3.0201 3.0201 4.8033 4.8033 6.2671 6.2671 6.8885 6.8885 7.0765 7.0765 7.4750 7.4750 7.5605 7.5605 7.8522 7.8522 7.9717 7.9717 8.1382 8.1382 8.6218 8.6218 8.8310 8.8310 12.6481 12.6481 13.8069 13.8069 14.4854 14.4854 14.9106 14.9106 15.9337 15.9337 15.9847 15.9847 k = 0.3168 0.6295 0.4409 ( 4509 PWs) bands (ev): -16.5797 -16.5797 -16.5674 -16.5674 -8.8149 -8.8149 -8.4859 -8.4859 -7.8698 -7.8698 -7.0298 -7.0298 -6.7679 -6.7679 -6.4133 -6.4133 -4.8113 -4.8113 -4.5972 -4.5972 -3.5389 -3.5389 -3.1077 -3.1077 -3.0401 -3.0401 -1.2014 -1.2014 -1.1422 -1.1422 -1.1101 -1.1101 -1.0381 -1.0381 2.9949 2.9949 4.8047 4.8047 6.2601 6.2601 6.8701 6.8701 7.0897 7.0897 7.4784 7.4784 7.5550 7.5550 7.8364 7.8364 7.9867 7.9867 8.1214 8.1214 8.6320 8.6320 8.8611 8.8611 12.7449 12.7449 13.8559 13.8559 14.5060 14.5060 14.9528 14.9528 15.9694 15.9694 16.0364 16.0364 k = 0.3100 0.6443 0.4573 ( 4509 PWs) bands (ev): -16.5803 -16.5803 -16.5647 -16.5647 -8.8157 -8.8157 -8.4856 -8.4856 -7.8179 -7.8179 -7.0340 -7.0340 -6.7990 -6.7990 -6.4140 -6.4140 -4.8123 -4.8123 -4.6447 -4.6447 -3.5454 -3.5454 -3.0998 -3.0998 -3.0418 -3.0418 -1.2103 -1.2103 -1.1309 -1.1309 -1.1005 -1.1005 -1.0438 -1.0438 2.9723 2.9723 4.8058 4.8058 6.2516 6.2516 6.8543 6.8543 7.0994 7.0994 7.4829 7.4829 7.5514 7.5514 7.8219 7.8219 8.0002 8.0002 8.1049 8.1049 8.6420 8.6420 8.8877 8.8877 12.8404 12.8404 13.9006 13.9006 14.5222 14.5222 14.9982 14.9982 16.0022 16.0022 16.0860 16.0860 k = 0.3032 0.6592 0.4736 ( 4503 PWs) bands (ev): -16.5810 -16.5810 -16.5620 -16.5620 -8.8164 -8.8164 -8.4854 -8.4854 -7.7656 -7.7656 -7.0378 -7.0378 -6.8318 -6.8318 -6.4148 -6.4148 -4.8133 -4.8133 -4.6882 -4.6882 -3.5521 -3.5521 -3.0921 -3.0921 -3.0434 -3.0434 -1.2190 -1.2190 -1.1200 -1.1200 -1.0905 -1.0905 -1.0492 -1.0492 2.9520 2.9520 4.8065 4.8065 6.2418 6.2418 6.8415 6.8415 7.1058 7.1058 7.4886 7.4886 7.5499 7.5499 7.8088 7.8088 8.0120 8.0120 8.0889 8.0889 8.6518 8.6518 8.9105 8.9105 12.9334 12.9334 13.9412 13.9412 14.5335 14.5335 15.0458 15.0458 16.0321 16.0321 16.1203 16.1203 k = 0.2964 0.6740 0.4899 ( 4507 PWs) bands (ev): -16.5819 -16.5819 -16.5593 -16.5593 -8.8170 -8.8170 -8.4854 -8.4854 -7.7136 -7.7136 -7.0414 -7.0414 -6.8660 -6.8660 -6.4156 -6.4156 -4.8142 -4.8142 -4.7275 -4.7275 -3.5588 -3.5588 -3.0846 -3.0846 -3.0447 -3.0447 -1.2275 -1.2275 -1.1094 -1.1094 -1.0807 -1.0807 -1.0541 -1.0541 2.9342 2.9342 4.8068 4.8068 6.2305 6.2305 6.8316 6.8316 7.1096 7.1096 7.4953 7.4953 7.5501 7.5501 7.7973 7.7973 8.0217 8.0217 8.0738 8.0738 8.6613 8.6613 8.9294 8.9294 13.0223 13.0223 13.9779 13.9779 14.5397 14.5397 15.0945 15.0945 16.0565 16.0565 16.1222 16.1222 k = 0.2897 0.6889 0.5062 ( 4503 PWs) bands (ev): -16.5829 -16.5829 -16.5567 -16.5567 -8.8176 -8.8176 -8.4853 -8.4853 -7.6623 -7.6623 -7.0446 -7.0446 -6.9012 -6.9012 -6.4165 -6.4165 -4.8150 -4.8150 -4.7623 -4.7623 -3.5656 -3.5656 -3.0772 -3.0772 -3.0458 -3.0458 -1.2355 -1.2355 -1.0993 -1.0993 -1.0729 -1.0729 -1.0567 -1.0567 2.9186 2.9186 4.8067 4.8067 6.2180 6.2180 6.8248 6.8248 7.1112 7.1112 7.5030 7.5030 7.5521 7.5521 7.7872 7.7872 8.0286 8.0286 8.0604 8.0604 8.6707 8.6707 8.9441 8.9441 13.1056 13.1056 14.0112 14.0112 14.5407 14.5407 15.1432 15.1432 16.0661 16.0661 16.1272 16.1272 k = 0.2829 0.7037 0.5226 ( 4503 PWs) bands (ev): -16.5841 -16.5841 -16.5542 -16.5542 -8.8180 -8.8180 -8.4853 -8.4853 -7.6126 -7.6126 -7.0476 -7.0476 -6.9369 -6.9369 -6.4174 -6.4174 -4.8160 -4.8160 -4.7919 -4.7919 -3.5725 -3.5725 -3.0702 -3.0702 -3.0467 -3.0467 -1.2430 -1.2430 -1.0898 -1.0898 -1.0717 -1.0717 -1.0523 -1.0523 2.9053 2.9053 4.8063 4.8063 6.2042 6.2042 6.8210 6.8210 7.1111 7.1111 7.5117 7.5117 7.5554 7.5554 7.7788 7.7788 8.0299 8.0299 8.0515 8.0515 8.6798 8.6798 8.9547 8.9547 13.1816 13.1816 14.0413 14.0413 14.5363 14.5363 15.1909 15.1909 16.0556 16.0556 16.1454 16.1454 k = 0.2761 0.7186 0.5389 ( 4499 PWs) bands (ev): -16.5854 -16.5854 -16.5517 -16.5517 -8.8185 -8.8185 -8.4852 -8.4852 -7.5656 -7.5656 -7.0502 -7.0502 -6.9721 -6.9721 -6.4183 -6.4183 -4.8206 -4.8206 -4.8128 -4.8128 -3.5795 -3.5795 -3.0634 -3.0634 -3.0473 -3.0473 -1.2499 -1.2499 -1.0820 -1.0820 -1.0743 -1.0743 -1.0431 -1.0431 2.8941 2.8941 4.8056 4.8056 6.1895 6.1895 6.8201 6.8201 7.1097 7.1097 7.5211 7.5211 7.5599 7.5599 7.7721 7.7721 8.0226 8.0226 8.0503 8.0503 8.6888 8.6888 8.9611 8.9611 13.2485 13.2485 14.0684 14.0684 14.5264 14.5264 15.2369 15.2369 16.0345 16.0345 16.1689 16.1689 k = 0.2761 0.7186 0.5389 ( 4499 PWs) bands (ev): -16.5854 -16.5854 -16.5517 -16.5517 -8.8185 -8.8185 -8.4852 -8.4852 -7.5656 -7.5656 -7.0502 -7.0502 -6.9721 -6.9721 -6.4183 -6.4183 -4.8206 -4.8206 -4.8128 -4.8128 -3.5795 -3.5795 -3.0634 -3.0634 -3.0473 -3.0473 -1.2499 -1.2499 -1.0820 -1.0820 -1.0743 -1.0743 -1.0431 -1.0431 2.8941 2.8941 4.8056 4.8056 6.1895 6.1895 6.8201 6.8201 7.1097 7.1097 7.5211 7.5211 7.5599 7.5599 7.7721 7.7721 8.0226 8.0226 8.0503 8.0503 8.6888 8.6888 8.9611 8.9611 13.2485 13.2485 14.0684 14.0684 14.5264 14.5264 15.2369 15.2369 16.0345 16.0345 16.1689 16.1689 k = 0.2548 0.7142 0.5437 ( 4498 PWs) bands (ev): -16.5859 -16.5859 -16.5510 -16.5510 -8.8186 -8.8186 -8.4852 -8.4852 -7.5524 -7.5524 -7.0510 -7.0510 -6.9822 -6.9822 -6.4186 -6.4186 -4.8255 -4.8255 -4.8145 -4.8145 -3.5814 -3.5814 -3.0680 -3.0680 -3.0411 -3.0411 -1.2524 -1.2524 -1.0812 -1.0812 -1.0744 -1.0744 -1.0386 -1.0386 2.8915 2.8915 4.8053 4.8053 6.1831 6.1831 6.8200 6.8200 7.1108 7.1108 7.5239 7.5239 7.5611 7.5611 7.7712 7.7712 8.0193 8.0193 8.0519 8.0519 8.6909 8.6909 8.9617 8.9617 13.2677 13.2677 14.0762 14.0762 14.5206 14.5206 15.2514 15.2514 16.0248 16.0248 16.1743 16.1743 k = 0.2336 0.7098 0.5486 ( 4498 PWs) bands (ev): -16.5866 -16.5866 -16.5501 -16.5501 -8.8187 -8.8187 -8.4850 -8.4850 -7.5397 -7.5397 -7.0518 -7.0518 -6.9919 -6.9919 -6.4190 -6.4190 -4.8310 -4.8310 -4.8152 -4.8152 -3.5830 -3.5830 -3.0775 -3.0775 -3.0303 -3.0303 -1.2559 -1.2559 -1.0816 -1.0816 -1.0745 -1.0745 -1.0317 -1.0317 2.8895 2.8895 4.8048 4.8048 6.1732 6.1732 6.8193 6.8193 7.1149 7.1149 7.5262 7.5262 7.5618 7.5618 7.7722 7.7722 8.0150 8.0150 8.0562 8.0562 8.6921 8.6921 8.9611 8.9611 13.2884 13.2884 14.0844 14.0844 14.5108 14.5108 15.2680 15.2680 16.0115 16.0115 16.1729 16.1729 k = 0.2124 0.7054 0.5534 ( 4492 PWs) bands (ev): -16.5872 -16.5872 -16.5492 -16.5492 -8.8188 -8.8188 -8.4848 -8.4848 -7.5275 -7.5275 -7.0528 -7.0528 -7.0011 -7.0011 -6.4195 -6.4195 -4.8365 -4.8365 -4.8155 -4.8155 -3.5842 -3.5842 -3.0877 -3.0877 -3.0193 -3.0193 -1.2602 -1.2602 -1.0826 -1.0826 -1.0746 -1.0746 -1.0232 -1.0232 2.8881 2.8881 4.8042 4.8042 6.1604 6.1604 6.8180 6.8180 7.1216 7.1216 7.5280 7.5280 7.5619 7.5619 7.7751 7.7751 8.0095 8.0095 8.0635 8.0635 8.6923 8.6923 8.9595 8.9595 13.3106 13.3106 14.0932 14.0932 14.4972 14.4972 15.2862 15.2862 15.9965 15.9965 16.1607 16.1607 k = 0.1911 0.7010 0.5582 ( 4497 PWs) bands (ev): -16.5880 -16.5880 -16.5482 -16.5482 -8.8189 -8.8189 -8.4846 -8.4846 -7.5161 -7.5161 -7.0538 -7.0538 -7.0096 -7.0096 -6.4200 -6.4200 -4.8415 -4.8415 -4.8157 -4.8157 -3.5851 -3.5851 -3.0979 -3.0979 -3.0087 -3.0087 -1.2650 -1.2650 -1.0839 -1.0839 -1.0744 -1.0744 -1.0140 -1.0140 2.8872 2.8872 4.8035 4.8035 6.1455 6.1455 6.8161 6.8161 7.1302 7.1302 7.5291 7.5291 7.5618 7.5618 7.7798 7.7798 8.0029 8.0029 8.0734 8.0734 8.6915 8.6915 8.9570 8.9570 13.3338 13.3338 14.1029 14.1029 14.4801 14.4801 15.3051 15.3051 15.9811 15.9811 16.1392 16.1392 k = 0.1699 0.6966 0.5630 ( 4495 PWs) bands (ev): -16.5887 -16.5887 -16.5473 -16.5473 -8.8190 -8.8190 -8.4843 -8.4843 -7.5054 -7.5054 -7.0551 -7.0551 -7.0173 -7.0173 -6.4205 -6.4205 -4.8462 -4.8462 -4.8159 -4.8159 -3.5856 -3.5856 -3.1077 -3.1077 -2.9988 -2.9988 -1.2699 -1.2699 -1.0854 -1.0854 -1.0740 -1.0740 -1.0047 -1.0047 2.8869 2.8869 4.8028 4.8028 6.1292 6.1292 6.8139 6.8139 7.1399 7.1399 7.5297 7.5297 7.5614 7.5614 7.7861 7.7861 7.9952 7.9952 8.0854 8.0854 8.6896 8.6896 8.9539 8.9539 13.3575 13.3575 14.1137 14.1137 14.4602 14.4602 15.3237 15.3237 15.9663 15.9663 16.1134 16.1134 k = 0.1487 0.6922 0.5679 ( 4499 PWs) bands (ev): -16.5894 -16.5894 -16.5464 -16.5464 -8.8191 -8.8191 -8.4840 -8.4840 -7.4957 -7.4957 -7.0567 -7.0567 -7.0240 -7.0240 -6.4210 -6.4210 -4.8504 -4.8504 -4.8161 -4.8161 -3.5858 -3.5858 -3.1169 -3.1169 -2.9899 -2.9899 -1.2749 -1.2749 -1.0869 -1.0869 -1.0734 -1.0734 -0.9956 -0.9956 2.8869 2.8869 4.8021 4.8021 6.1125 6.1125 6.8115 6.8115 7.1500 7.1500 7.5299 7.5299 7.5610 7.5610 7.7940 7.7940 7.9866 7.9866 8.0988 8.0988 8.6868 8.6868 8.9505 8.9505 13.3811 13.3811 14.1256 14.1256 14.4377 14.4377 15.3409 15.3409 15.9527 15.9527 16.0877 16.0877 k = 0.1274 0.6878 0.5727 ( 4497 PWs) bands (ev): -16.5900 -16.5900 -16.5456 -16.5456 -8.8192 -8.8192 -8.4836 -8.4836 -7.4870 -7.4870 -7.0586 -7.0586 -7.0295 -7.0295 -6.4215 -6.4215 -4.8541 -4.8541 -4.8162 -4.8162 -3.5857 -3.5857 -3.1254 -3.1254 -2.9819 -2.9819 -1.2796 -1.2796 -1.0883 -1.0883 -1.0728 -1.0728 -0.9872 -0.9872 2.8873 2.8873 4.8014 4.8014 6.0962 6.0962 6.8091 6.8091 7.1596 7.1596 7.5296 7.5296 7.5607 7.5607 7.8031 7.8031 7.9774 7.9774 8.1129 8.1129 8.6832 8.6832 8.9469 8.9469 13.4039 13.4039 14.1390 14.1390 14.4134 14.4134 15.3556 15.3556 15.9409 15.9409 16.0655 16.0655 k = 0.1062 0.6834 0.5775 ( 4499 PWs) bands (ev): -16.5906 -16.5906 -16.5449 -16.5449 -8.8192 -8.8192 -8.4833 -8.4833 -7.4795 -7.4795 -7.0609 -7.0609 -7.0338 -7.0338 -6.4219 -6.4219 -4.8573 -4.8573 -4.8163 -4.8163 -3.5855 -3.5855 -3.1329 -3.1329 -2.9751 -2.9751 -1.2838 -1.2838 -1.0896 -1.0896 -1.0722 -1.0722 -0.9796 -0.9796 2.8879 2.8879 4.8007 4.8007 6.0809 6.0809 6.8069 6.8069 7.1684 7.1684 7.5291 7.5291 7.5605 7.5605 7.8129 7.8129 7.9677 7.9677 8.1269 8.1269 8.6790 8.6790 8.9435 8.9435 13.4251 13.4251 14.1540 14.1540 14.3877 14.3877 15.3673 15.3673 15.9311 15.9311 16.0487 16.0487 k = 0.0849 0.6791 0.5824 ( 4499 PWs) bands (ev): -16.5911 -16.5911 -16.5443 -16.5443 -8.8193 -8.8193 -8.4830 -8.4830 -7.4732 -7.4732 -7.0632 -7.0632 -7.0368 -7.0368 -6.4223 -6.4223 -4.8600 -4.8600 -4.8163 -4.8163 -3.5851 -3.5851 -3.1393 -3.1393 -2.9693 -2.9693 -1.2875 -1.2875 -1.0906 -1.0906 -1.0716 -1.0716 -0.9731 -0.9731 2.8886 2.8886 4.8001 4.8001 6.0675 6.0675 6.8050 6.8050 7.1759 7.1759 7.5286 7.5286 7.5605 7.5605 7.8231 7.8231 7.9578 7.9578 8.1401 8.1401 8.6748 8.6748 8.9404 8.9404 13.4439 13.4439 14.1706 14.1706 14.3611 14.3611 15.3755 15.3755 15.9233 15.9233 16.0385 16.0385 k = 0.0637 0.6747 0.5872 ( 4506 PWs) bands (ev): -16.5915 -16.5915 -16.5439 -16.5439 -8.8193 -8.8193 -8.4828 -8.4828 -7.4682 -7.4682 -7.0655 -7.0655 -7.0389 -7.0389 -6.4227 -6.4227 -4.8620 -4.8620 -4.8164 -4.8164 -3.5848 -3.5848 -3.1445 -3.1445 -2.9648 -2.9648 -1.2904 -1.2904 -1.0915 -1.0915 -1.0712 -1.0712 -0.9679 -0.9679 2.8892 2.8892 4.7996 4.7996 6.0565 6.0565 6.8034 6.8034 7.1819 7.1819 7.5280 7.5280 7.5606 7.5606 7.8330 7.8330 7.9483 7.9483 8.1514 8.1514 8.6707 8.6707 8.9378 8.9378 13.4596 13.4596 14.1891 14.1891 14.3342 14.3342 15.3807 15.3807 15.9174 15.9174 16.0348 16.0348 k = 0.0425 0.6703 0.5920 ( 4502 PWs) bands (ev): -16.5917 -16.5917 -16.5435 -16.5435 -8.8194 -8.8194 -8.4826 -8.4826 -7.4645 -7.4645 -7.0674 -7.0674 -7.0402 -7.0402 -6.4229 -6.4229 -4.8635 -4.8635 -4.8164 -4.8164 -3.5844 -3.5844 -3.1483 -3.1483 -2.9616 -2.9616 -1.2926 -1.2926 -1.0921 -1.0921 -1.0708 -1.0708 -0.9641 -0.9641 2.8897 2.8897 4.7992 4.7992 6.0482 6.0482 6.8022 6.8022 7.1862 7.1862 7.5275 7.5275 7.5608 7.5608 7.8418 7.8418 7.9399 7.9399 8.1602 8.1602 8.6674 8.6674 8.9359 8.9359 13.4714 13.4714 14.2094 14.2094 14.3074 14.3074 15.3835 15.3835 15.9131 15.9131 16.0361 16.0361 k = 0.0212 0.6659 0.5969 ( 4507 PWs) bands (ev): -16.5919 -16.5919 -16.5433 -16.5433 -8.8194 -8.8194 -8.4825 -8.4825 -7.4623 -7.4623 -7.0686 -7.0686 -7.0409 -7.0409 -6.4231 -6.4231 -4.8644 -4.8644 -4.8164 -4.8164 -3.5842 -3.5842 -3.1506 -3.1506 -2.9596 -2.9596 -1.2940 -1.2940 -1.0924 -1.0924 -1.0706 -1.0706 -0.9617 -0.9617 2.8901 2.8901 4.7990 4.7990 6.0432 6.0432 6.8015 6.8015 7.1888 7.1888 7.5272 7.5272 7.5609 7.5609 7.8481 7.8481 7.9339 7.9339 8.1657 8.1657 8.6653 8.6653 8.9347 8.9347 13.4788 13.4788 14.2313 14.2313 14.2815 14.2815 15.3847 15.3847 15.9105 15.9105 16.0393 16.0393 k = 0.0000 0.6615 0.6017 ( 4504 PWs) bands (ev): -16.5920 -16.5920 -16.5433 -16.5433 -8.8194 -8.8194 -8.4825 -8.4825 -7.4616 -7.4616 -7.0690 -7.0690 -7.0411 -7.0411 -6.4231 -6.4231 -4.8647 -4.8647 -4.8164 -4.8164 -3.5841 -3.5841 -3.1514 -3.1514 -2.9590 -2.9590 -1.2944 -1.2944 -1.0926 -1.0926 -1.0705 -1.0705 -0.9609 -0.9609 2.8902 2.8902 4.7989 4.7989 6.0414 6.0414 6.8013 6.8013 7.1897 7.1897 7.5271 7.5271 7.5609 7.5609 7.8504 7.8504 7.9316 7.9316 8.1676 8.1676 8.6645 8.6645 8.9343 8.9343 13.4813 13.4813 14.2504 14.2504 14.2610 14.2610 15.3850 15.3850 15.9096 15.9096 16.0409 16.0409 k = 0.0000 0.6615 0.6017 ( 4504 PWs) bands (ev): -16.5920 -16.5920 -16.5433 -16.5433 -8.8194 -8.8194 -8.4825 -8.4825 -7.4616 -7.4616 -7.0690 -7.0690 -7.0411 -7.0411 -6.4231 -6.4231 -4.8647 -4.8647 -4.8164 -4.8164 -3.5841 -3.5841 -3.1514 -3.1514 -2.9590 -2.9590 -1.2944 -1.2944 -1.0926 -1.0926 -1.0705 -1.0705 -0.9609 -0.9609 2.8902 2.8902 4.7989 4.7989 6.0414 6.0414 6.8013 6.8013 7.1897 7.1897 7.5271 7.5271 7.5609 7.5609 7.8504 7.8504 7.9316 7.9316 8.1676 8.1676 8.6645 8.6645 8.9343 8.9343 13.4813 13.4813 14.2504 14.2504 14.2610 14.2610 15.3850 15.3850 15.9096 15.9096 16.0409 16.0409 k = 0.0068 0.6467 0.6179 ( 4504 PWs) bands (ev): -16.5919 -16.5919 -16.5432 -16.5432 -8.8182 -8.8182 -8.4823 -8.4823 -7.4616 -7.4616 -7.0691 -7.0691 -7.0409 -7.0409 -6.4233 -6.4233 -4.8648 -4.8648 -4.8166 -4.8166 -3.5855 -3.5855 -3.1517 -3.1517 -2.9594 -2.9594 -1.2950 -1.2950 -1.0941 -1.0941 -1.0700 -1.0700 -0.9611 -0.9611 2.8798 2.8798 4.8120 4.8120 6.0421 6.0421 6.8031 6.8031 7.1897 7.1897 7.5254 7.5254 7.5650 7.5650 7.8509 7.8509 7.9325 7.9325 8.1680 8.1680 8.6642 8.6642 8.9342 8.9342 13.4825 13.4825 14.2508 14.2508 14.2583 14.2583 15.3855 15.3855 15.9125 15.9125 16.0402 16.0402 k = 0.0135 0.6319 0.6342 ( 4498 PWs) bands (ev): -16.5917 -16.5917 -16.5431 -16.5431 -8.8145 -8.8145 -8.4820 -8.4820 -7.4618 -7.4618 -7.0694 -7.0694 -7.0405 -7.0405 -6.4239 -6.4239 -4.8652 -4.8652 -4.8171 -4.8171 -3.5896 -3.5896 -3.1528 -3.1528 -2.9608 -2.9608 -1.2967 -1.2967 -1.0983 -1.0983 -1.0686 -1.0686 -0.9617 -0.9617 2.8496 2.8496 4.8502 4.8502 6.0440 6.0440 6.8084 6.8084 7.1895 7.1895 7.5222 7.5222 7.5754 7.5754 7.8524 7.8524 7.9351 7.9351 8.1693 8.1693 8.6634 8.6634 8.9339 8.9339 13.4861 13.4861 14.2480 14.2480 14.2539 14.2539 15.3867 15.3867 15.9207 15.9207 16.0358 16.0358 k = 0.0203 0.6171 0.6505 ( 4498 PWs) bands (ev): -16.5915 -16.5915 -16.5428 -16.5428 -8.8085 -8.8085 -8.4815 -8.4815 -7.4620 -7.4620 -7.0699 -7.0699 -7.0397 -7.0397 -6.4249 -6.4249 -4.8658 -4.8658 -4.8180 -4.8180 -3.5966 -3.5966 -3.1546 -3.1546 -2.9630 -2.9630 -1.2995 -1.2995 -1.1044 -1.1044 -1.0673 -1.0673 -0.9627 -0.9627 2.8018 2.8018 4.9110 4.9110 6.0472 6.0472 6.8172 6.8172 7.1894 7.1894 7.5195 7.5195 7.5897 7.5897 7.8549 7.8549 7.9395 7.9395 8.1714 8.1714 8.6620 8.6620 8.9334 8.9334 13.4922 13.4922 14.2343 14.2343 14.2560 14.2560 15.3888 15.3888 15.9321 15.9321 16.0087 16.0087 k = 0.0270 0.6023 0.6667 ( 4490 PWs) bands (ev): -16.5911 -16.5911 -16.5425 -16.5425 -8.8000 -8.8000 -8.4807 -8.4807 -7.4622 -7.4622 -7.0706 -7.0706 -7.0387 -7.0387 -6.4263 -6.4263 -4.8668 -4.8668 -4.8192 -4.8192 -3.6062 -3.6062 -3.1570 -3.1570 -2.9661 -2.9661 -1.3034 -1.3034 -1.1120 -1.1120 -1.0663 -1.0663 -0.9640 -0.9640 2.7400 2.7400 4.9909 4.9909 6.0519 6.0519 6.8293 6.8293 7.1893 7.1893 7.5184 7.5184 7.6070 7.6070 7.8583 7.8583 7.9456 7.9456 8.1744 8.1744 8.6600 8.6600 8.9328 8.9328 13.5008 13.5008 14.2150 14.2150 14.2592 14.2592 15.3915 15.3915 15.9258 15.9258 15.9664 15.9664 k = 0.0338 0.5875 0.6830 ( 4484 PWs) bands (ev): -16.5906 -16.5906 -16.5421 -16.5421 -8.7892 -8.7892 -8.4797 -8.4797 -7.4626 -7.4626 -7.0716 -7.0716 -7.0374 -7.0374 -6.4281 -6.4281 -4.8679 -4.8679 -4.8207 -4.8207 -3.6187 -3.6187 -3.1602 -3.1602 -2.9699 -2.9699 -1.3082 -1.3082 -1.1209 -1.1209 -1.0659 -1.0659 -0.9658 -0.9658 2.6674 2.6674 5.0862 5.0862 6.0582 6.0582 6.8448 6.8448 7.1895 7.1895 7.5191 7.5191 7.6266 7.6266 7.8626 7.8626 7.9534 7.9534 8.1784 8.1784 8.6575 8.6575 8.9320 8.9320 13.5118 13.5118 14.1913 14.1913 14.2627 14.2627 15.3948 15.3948 15.8619 15.8619 15.9744 15.9745 k = 0.0405 0.5727 0.6993 ( 4492 PWs) bands (ev): -16.5900 -16.5900 -16.5416 -16.5416 -8.7761 -8.7761 -8.4784 -8.4784 -7.4631 -7.4631 -7.0727 -7.0727 -7.0358 -7.0358 -6.4303 -6.4303 -4.8694 -4.8694 -4.8225 -4.8225 -3.6339 -3.6339 -3.1639 -3.1639 -2.9744 -2.9744 -1.3140 -1.3140 -1.1309 -1.1309 -1.0661 -1.0661 -0.9679 -0.9679 2.5872 2.5872 5.1933 5.1933 6.0664 6.0664 6.8635 6.8635 7.1901 7.1901 7.5215 7.5215 7.6481 7.6481 7.8680 7.8680 7.9629 7.9629 8.1833 8.1833 8.6545 8.6545 8.9311 8.9311 13.5252 13.5252 14.1638 14.1638 14.2658 14.2658 15.3984 15.3984 15.7898 15.7898 15.9869 15.9869 k = 0.0473 0.5579 0.7155 ( 4490 PWs) bands (ev): -16.5893 -16.5893 -16.5410 -16.5410 -8.7608 -8.7608 -8.4768 -8.4768 -7.4636 -7.4636 -7.0740 -7.0740 -7.0340 -7.0340 -6.4329 -6.4329 -4.8712 -4.8712 -4.8247 -4.8247 -3.6519 -3.6519 -3.1683 -3.1683 -2.9796 -2.9796 -1.3207 -1.3207 -1.1419 -1.1419 -1.0670 -1.0670 -0.9705 -0.9705 2.5020 2.5020 5.3089 5.3089 6.0768 6.0768 6.8851 6.8851 7.1912 7.1912 7.5257 7.5257 7.6712 7.6712 7.8742 7.8742 7.9741 7.9741 8.1893 8.1893 8.6510 8.6510 8.9302 8.9302 13.5411 13.5411 14.1333 14.1333 14.2679 14.2679 15.4020 15.4020 15.7189 15.7189 15.9937 15.9937 k = 0.0541 0.5432 0.7318 ( 4498 PWs) bands (ev): -16.5885 -16.5885 -16.5404 -16.5404 -8.7432 -8.7432 -8.4748 -8.4748 -7.4642 -7.4642 -7.0755 -7.0755 -7.0320 -7.0320 -6.4360 -6.4360 -4.8734 -4.8734 -4.8271 -4.8271 -3.6726 -3.6726 -3.1732 -3.1732 -2.9852 -2.9852 -1.3281 -1.3281 -1.1539 -1.1539 -1.0687 -1.0687 -0.9734 -0.9734 2.4140 2.4140 5.4298 5.4298 6.0905 6.0905 6.9095 6.9095 7.1930 7.1930 7.5314 7.5314 7.6955 7.6955 7.8815 7.8815 7.9870 7.9870 8.1963 8.1963 8.6470 8.6470 8.9291 8.9291 13.5594 13.5594 14.1004 14.1004 14.2679 14.2679 15.4047 15.4047 15.6516 15.6516 15.9944 15.9944 k = 0.0608 0.5284 0.7480 ( 4496 PWs) bands (ev): -16.5876 -16.5876 -16.5396 -16.5396 -8.7237 -8.7237 -8.4725 -8.4725 -7.4649 -7.4649 -7.0773 -7.0773 -7.0298 -7.0298 -6.4395 -6.4395 -4.8758 -4.8758 -4.8298 -4.8298 -3.6960 -3.6960 -3.1786 -3.1786 -2.9913 -2.9913 -1.3362 -1.3362 -1.1666 -1.1666 -1.0710 -1.0710 -0.9767 -0.9767 2.3248 2.3248 5.5524 5.5524 6.1087 6.1087 6.9364 6.9364 7.1956 7.1956 7.5385 7.5385 7.7206 7.7206 7.8901 7.8901 8.0015 8.0015 8.2045 8.2045 8.6426 8.6426 8.9280 8.9280 13.5801 13.5801 14.0659 14.0659 14.2652 14.2652 15.4045 15.4045 15.5909 15.5909 15.9905 15.9905 k = 0.0676 0.5136 0.7643 ( 4498 PWs) bands (ev): -16.5867 -16.5867 -16.5388 -16.5388 -8.7022 -8.7022 -8.4695 -8.4695 -7.4657 -7.4657 -7.0792 -7.0792 -7.0273 -7.0273 -6.4434 -6.4434 -4.8787 -4.8787 -4.8327 -4.8327 -3.7220 -3.7220 -3.1845 -3.1845 -2.9978 -2.9978 -1.3449 -1.3449 -1.1802 -1.1802 -1.0740 -1.0740 -0.9802 -0.9802 2.2357 2.2357 5.6725 5.6725 6.1342 6.1342 6.9657 6.9657 7.1993 7.1993 7.5468 7.5468 7.7459 7.7459 7.9001 7.9001 8.0177 8.0177 8.2139 8.2139 8.6379 8.6379 8.9268 8.9268 13.6030 13.6030 14.0303 14.0303 14.2586 14.2586 15.3963 15.3963 15.5427 15.5427 15.9829 15.9829 k = 0.0743 0.4988 0.7806 ( 4498 PWs) bands (ev): -16.5856 -16.5856 -16.5380 -16.5380 -8.6792 -8.6792 -8.4658 -8.4658 -7.4666 -7.4666 -7.0815 -7.0815 -7.0247 -7.0247 -6.4477 -6.4477 -4.8820 -4.8820 -4.8359 -4.8359 -3.7505 -3.7505 -3.1907 -3.1907 -3.0045 -3.0045 -1.3540 -1.3540 -1.1943 -1.1943 -1.0778 -1.0778 -0.9841 -0.9841 2.1477 2.1477 5.7834 5.7834 6.1721 6.1721 6.9969 6.9969 7.2041 7.2041 7.5562 7.5562 7.7706 7.7706 7.9120 7.9120 8.0355 8.0355 8.2244 8.2244 8.6329 8.6329 8.9257 8.9257 13.6279 13.6279 13.9945 13.9945 14.2474 14.2474 15.3718 15.3718 15.5157 15.5157 15.9720 15.9720 k = 0.0811 0.4840 0.7968 ( 4496 PWs) bands (ev): -16.5845 -16.5845 -16.5371 -16.5371 -8.6547 -8.6547 -8.4611 -8.4611 -7.4675 -7.4675 -7.0840 -7.0840 -7.0219 -7.0219 -6.4526 -6.4526 -4.8858 -4.8858 -4.8393 -4.8393 -3.7813 -3.7813 -3.1973 -3.1973 -3.0115 -3.0115 -1.3636 -1.3636 -1.2091 -1.2091 -1.0822 -1.0822 -0.9883 -0.9883 2.0616 2.0616 5.8767 5.8767 6.2296 6.2296 7.0298 7.0298 7.2102 7.2102 7.5664 7.5664 7.7939 7.7939 7.9265 7.9265 8.0549 8.0549 8.2362 8.2362 8.6277 8.6277 8.9246 8.9246 13.6543 13.6543 13.9592 13.9592 14.2308 14.2308 15.3300 15.3300 15.5111 15.5111 15.9580 15.9580 k = 0.0878 0.4692 0.8131 ( 4500 PWs) bands (ev): -16.5834 -16.5834 -16.5361 -16.5361 -8.6296 -8.6296 -8.4549 -8.4549 -7.4685 -7.4685 -7.0868 -7.0868 -7.0190 -7.0190 -6.4578 -6.4578 -4.8901 -4.8901 -4.8429 -4.8429 -3.8143 -3.8143 -3.2040 -3.2040 -3.0185 -3.0185 -1.3734 -1.3734 -1.2243 -1.2243 -1.0872 -1.0872 -0.9927 -0.9927 1.9779 1.9779 5.9458 5.9458 6.3119 6.3119 7.0639 7.0639 7.2178 7.2178 7.5772 7.5772 7.8150 7.8150 7.9443 7.9443 8.0760 8.0760 8.2493 8.2493 8.6223 8.6223 8.9236 8.9236 13.6811 13.6811 13.9257 13.9257 14.2085 14.2085 15.2789 15.2789 15.5210 15.5210 15.9410 15.9410 k = 0.0946 0.4544 0.8293 ( 4502 PWs) bands (ev): -16.5821 -16.5821 -16.5351 -16.5351 -8.6043 -8.6043 -8.4466 -8.4466 -7.4697 -7.4697 -7.0900 -7.0900 -7.0159 -7.0159 -6.4636 -6.4636 -4.8949 -4.8949 -4.8466 -4.8466 -3.8492 -3.8492 -3.2110 -3.2110 -3.0257 -3.0257 -1.3835 -1.3835 -1.2398 -1.2398 -1.0928 -1.0928 -0.9973 -0.9973 1.8972 1.8972 5.9930 5.9930 6.4156 6.4156 7.0985 7.0985 7.2275 7.2275 7.5884 7.5884 7.8332 7.8332 7.9657 7.9657 8.0988 8.0988 8.2635 8.2635 8.6170 8.6170 8.9226 8.9226 13.7059 13.7059 13.8968 13.8968 14.1804 14.1804 15.2240 15.2240 15.5398 15.5398 15.9213 15.9213 k = 0.1014 0.4396 0.8456 ( 4506 PWs) bands (ev): -16.5809 -16.5809 -16.5340 -16.5340 -8.5802 -8.5802 -8.4350 -8.4350 -7.4708 -7.4708 -7.0936 -7.0936 -7.0127 -7.0127 -6.4698 -6.4698 -4.9003 -4.9003 -4.8505 -4.8505 -3.8858 -3.8858 -3.2181 -3.2181 -3.0329 -3.0329 -1.3937 -1.3937 -1.2557 -1.2557 -1.0990 -1.0990 -1.0021 -1.0021 1.8197 1.8197 6.0259 6.0259 6.5320 6.5320 7.1327 7.1327 7.2400 7.2400 7.5998 7.5998 7.8485 7.8485 7.9907 7.9907 8.1233 8.1233 8.2788 8.2788 8.6118 8.6118 8.9216 8.9216 13.7230 13.7230 13.8779 13.8779 14.1471 14.1471 15.1670 15.1670 15.5654 15.5654 15.8989 15.8989 k = 0.1081 0.4248 0.8619 ( 4514 PWs) bands (ev): -16.5796 -16.5796 -16.5330 -16.5330 -8.5586 -8.5586 -8.4190 -8.4190 -7.4721 -7.4721 -7.0977 -7.0977 -7.0094 -7.0094 -6.4765 -6.4765 -4.9064 -4.9064 -4.8545 -4.8545 -3.9237 -3.9237 -3.2252 -3.2252 -3.0401 -3.0401 -1.4039 -1.4039 -1.2716 -1.2716 -1.1057 -1.1057 -1.0070 -1.0070 1.7457 1.7457 6.0506 6.0506 6.6535 6.6535 7.1650 7.1650 7.2568 7.2568 7.6111 7.6111 7.8612 7.8612 8.0187 8.0187 8.1495 8.1495 8.2952 8.2952 8.6068 8.6068 8.9208 8.9208 13.7241 13.7241 13.8772 13.8772 14.1097 14.1097 15.1083 15.1083 15.5966 15.5966 15.8745 15.8745 k = 0.1149 0.4100 0.8781 ( 4510 PWs) bands (ev): -16.5783 -16.5783 -16.5319 -16.5319 -8.5405 -8.5405 -8.3973 -8.3973 -7.4733 -7.4733 -7.1023 -7.1023 -7.0060 -7.0060 -6.4837 -6.4837 -4.9132 -4.9132 -4.8586 -4.8586 -3.9626 -3.9626 -3.2323 -3.2323 -3.0473 -3.0473 -1.4141 -1.4141 -1.2876 -1.2876 -1.1127 -1.1127 -1.0120 -1.0120 1.6754 1.6754 6.0708 6.0708 6.7750 6.7750 7.1936 7.1936 7.2797 7.2797 7.6221 7.6221 7.8721 7.8721 8.0491 8.0491 8.1776 8.1776 8.3125 8.3125 8.6023 8.6023 8.9201 8.9201 13.7075 13.7075 13.8949 13.8949 14.0705 14.0705 15.0482 15.0482 15.6325 15.6325 15.8484 15.8484 k = 0.1216 0.3952 0.8944 ( 4506 PWs) bands (ev): -16.5770 -16.5770 -16.5308 -16.5308 -8.5266 -8.5266 -8.3697 -8.3697 -7.4747 -7.4747 -7.1075 -7.1075 -7.0025 -7.0025 -6.4913 -6.4913 -4.9207 -4.9207 -4.8629 -4.8629 -4.0022 -4.0022 -3.2394 -3.2394 -3.0543 -3.0543 -1.4242 -1.4242 -1.3036 -1.3036 -1.1202 -1.1202 -1.0170 -1.0170 1.6088 1.6088 6.0883 6.0883 6.8929 6.8929 7.2176 7.2176 7.3100 7.3100 7.6325 7.6325 7.8817 7.8817 8.0810 8.0810 8.2077 8.2077 8.3306 8.3306 8.5984 8.5984 8.9195 8.9195 13.6805 13.6805 13.9183 13.9183 14.0356 14.0356 14.9869 14.9869 15.6719 15.6719 15.8216 15.8216 k = 0.1284 0.3804 0.9107 ( 4512 PWs) bands (ev): -16.5756 -16.5756 -16.5296 -16.5296 -8.5162 -8.5162 -8.3369 -8.3369 -7.4761 -7.4761 -7.1134 -7.1134 -6.9990 -6.9990 -6.4995 -6.4995 -4.9291 -4.9291 -4.8671 -4.8671 -4.0420 -4.0420 -3.2463 -3.2463 -3.0613 -3.0613 -1.4340 -1.4340 -1.3194 -1.3194 -1.1280 -1.1280 -1.0221 -1.0221 1.5461 1.5461 6.1042 6.1042 7.0035 7.0035 7.2383 7.2383 7.3475 7.3475 7.6421 7.6421 7.8905 7.8905 8.1140 8.1140 8.2396 8.2396 8.3493 8.3493 8.5955 8.5955 8.9190 8.9190 13.6490 13.6490 13.9218 13.9218 14.0261 14.0261 14.9248 14.9248 15.7113 15.7113 15.7968 15.7968 k = 0.1351 0.3657 0.9269 ( 4514 PWs) bands (ev): -16.5743 -16.5743 -16.5285 -16.5285 -8.5084 -8.5084 -8.2998 -8.2998 -7.4775 -7.4775 -7.1201 -7.1201 -6.9954 -6.9954 -6.5081 -6.5081 -4.9383 -4.9383 -4.8714 -4.8714 -4.0816 -4.0816 -3.2531 -3.2531 -3.0680 -3.0680 -1.4437 -1.4437 -1.3349 -1.3349 -1.1359 -1.1359 -1.0271 -1.0271 1.4873 1.4873 6.1190 6.1190 7.1025 7.1025 7.2589 7.2589 7.3913 7.3913 7.6507 7.6507 7.8991 7.8991 8.1475 8.1475 8.2735 8.2735 8.3686 8.3686 8.5938 8.5938 8.9186 8.9186 13.6155 13.6155 13.8909 13.8909 14.0545 14.0545 14.8624 14.8624 15.7343 15.7343 15.7897 15.7897 k = 0.1419 0.3509 0.9432 ( 4520 PWs) bands (ev): -16.5730 -16.5730 -16.5274 -16.5274 -8.5025 -8.5025 -8.2594 -8.2594 -7.4789 -7.4789 -7.1276 -7.1276 -6.9919 -6.9919 -6.5171 -6.5171 -4.9485 -4.9485 -4.8757 -4.8757 -4.1206 -4.1206 -3.2597 -3.2597 -3.0746 -3.0746 -1.4530 -1.4530 -1.3501 -1.3501 -1.1441 -1.1441 -1.0321 -1.0321 1.4323 1.4323 6.1331 6.1331 7.1826 7.1826 7.2846 7.2846 7.4419 7.4419 7.6581 7.6581 7.9075 7.9075 8.1812 8.1812 8.3090 8.3090 8.3882 8.3882 8.5939 8.5939 8.9183 8.9183 13.5813 13.5813 13.8466 13.8466 14.0993 14.0993 14.8004 14.8004 15.7194 15.7194 15.8208 15.8208 k = 0.1486 0.3361 0.9594 ( 4520 PWs) bands (ev): -16.5717 -16.5717 -16.5264 -16.5264 -8.4978 -8.4978 -8.2163 -8.2163 -7.4803 -7.4803 -7.1362 -7.1362 -6.9884 -6.9884 -6.5266 -6.5266 -4.9596 -4.9596 -4.8799 -4.8799 -4.1585 -4.1585 -3.2660 -3.2660 -3.0810 -3.0810 -1.4619 -1.4619 -1.3649 -1.3649 -1.1522 -1.1522 -1.0370 -1.0370 1.3812 1.3812 6.1465 6.1465 7.2349 7.2349 7.3225 7.3225 7.4994 7.4994 7.6643 7.6643 7.9160 7.9160 8.2148 8.2148 8.3455 8.3455 8.4081 8.4081 8.5965 8.5965 8.9183 8.9183 13.5469 13.5469 13.7991 13.7991 14.1501 14.1501 14.7394 14.7394 15.6938 15.6938 15.8619 15.8619 k = 0.1554 0.3213 0.9757 ( 4520 PWs) bands (ev): -16.5704 -16.5704 -16.5253 -16.5253 -8.4941 -8.4941 -8.1712 -8.1712 -7.4817 -7.4817 -7.1459 -7.1459 -6.9849 -6.9849 -6.5364 -6.5364 -4.9717 -4.9717 -4.8841 -4.8841 -4.1950 -4.1950 -3.2720 -3.2720 -3.0872 -3.0872 -1.4705 -1.4705 -1.3791 -1.3791 -1.1604 -1.1604 -1.0417 -1.0417 1.3338 1.3338 6.1593 6.1593 7.2638 7.2638 7.3686 7.3686 7.5623 7.5623 7.6691 7.6691 7.9247 7.9247 8.2479 8.2479 8.3816 8.3816 8.4281 8.4281 8.6028 8.6028 8.9185 8.9185 13.5126 13.5126 13.7516 13.7516 14.2035 14.2035 14.6804 14.6804 15.6678 15.6678 15.9018 15.9018 k = 0.1622 0.3065 0.9920 ( 4522 PWs) bands (ev): -16.5692 -16.5692 -16.5243 -16.5243 -8.4909 -8.4909 -8.1244 -8.1244 -7.4831 -7.4831 -7.1570 -7.1570 -6.9816 -6.9816 -6.5464 -6.5464 -4.9846 -4.9846 -4.8882 -4.8882 -4.2296 -4.2296 -3.2778 -3.2778 -3.0931 -3.0931 -1.4786 -1.4786 -1.3927 -1.3927 -1.1684 -1.1684 -1.0463 -1.0463 1.2903 1.2903 6.1715 6.1715 7.2830 7.2830 7.4121 7.4121 7.6265 7.6265 7.6729 7.6729 7.9336 7.9336 8.2803 8.2803 8.4153 8.4153 8.4482 8.4482 8.6146 8.6146 8.9189 8.9189 13.4786 13.4786 13.7055 13.7055 14.2577 14.2577 14.6243 14.6243 15.6435 15.6435 15.9375 15.9375 k = 0.1689 0.2917 1.0082 ( 4522 PWs) bands (ev): -16.5680 -16.5680 -16.5233 -16.5233 -8.4883 -8.4883 -8.0763 -8.0763 -7.4845 -7.4845 -7.1695 -7.1695 -6.9783 -6.9783 -6.5567 -6.5567 -4.9983 -4.9983 -4.8921 -4.8921 -4.2621 -4.2621 -3.2832 -3.2832 -3.0986 -3.0986 -1.4862 -1.4862 -1.4056 -1.4056 -1.1763 -1.1763 -1.0507 -1.0507 1.2503 1.2503 6.1832 6.1832 7.2987 7.2987 7.4501 7.4501 7.6722 7.6722 7.6915 7.6915 7.9427 7.9427 8.3118 8.3118 8.4440 8.4440 8.4681 8.4681 8.6341 8.6341 8.9197 8.9197 13.4450 13.4450 13.6617 13.6617 14.3102 14.3102 14.5731 14.5731 15.6222 15.6222 15.9679 15.9679 k = 0.1757 0.2769 1.0245 ( 4528 PWs) bands (ev): -16.5669 -16.5669 -16.5224 -16.5224 -8.4861 -8.4861 -8.0272 -8.0272 -7.4858 -7.4858 -7.1836 -7.1836 -6.9752 -6.9752 -6.5670 -6.5670 -5.0126 -5.0126 -4.8958 -4.8958 -4.2921 -4.2921 -3.2883 -3.2883 -3.1039 -3.1039 -1.4933 -1.4933 -1.4178 -1.4178 -1.1839 -1.1839 -1.0548 -1.0548 1.2140 1.2140 6.1942 6.1942 7.3128 7.3128 7.4831 7.4831 7.6747 7.6747 7.7472 7.7472 7.9519 7.9519 8.3421 8.3421 8.4669 8.4669 8.4863 8.4863 8.6621 8.6621 8.9212 8.9212 13.4122 13.4122 13.6208 13.6208 14.3558 14.3558 14.5314 14.5314 15.6050 15.6050 15.9925 15.9925 k = 0.1824 0.2621 1.0407 ( 4528 PWs) bands (ev): -16.5659 -16.5659 -16.5215 -16.5215 -8.4841 -8.4841 -7.9773 -7.9773 -7.4871 -7.4871 -7.1996 -7.1996 -6.9722 -6.9722 -6.5773 -6.5773 -5.0274 -5.0274 -4.8994 -4.8994 -4.3195 -4.3195 -3.2929 -3.2929 -3.1088 -3.1088 -1.4998 -1.4998 -1.4292 -1.4292 -1.1911 -1.1911 -1.0587 -1.0587 1.1811 1.1811 6.2046 6.2046 7.3259 7.3259 7.5119 7.5119 7.6748 7.6748 7.7981 7.7981 7.9611 7.9611 8.3709 8.3709 8.4851 8.4851 8.5013 8.5013 8.6975 8.6975 8.9235 8.9235 13.3802 13.3802 13.5832 13.5832 14.3802 14.3802 14.5129 14.5129 15.5928 15.5928 16.0114 16.0114 k = 0.1892 0.2473 1.0570 ( 4522 PWs) bands (ev): -16.5649 -16.5649 -16.5207 -16.5207 -8.4824 -8.4824 -7.9269 -7.9269 -7.4883 -7.4883 -7.2176 -7.2176 -6.9694 -6.9694 -6.5873 -6.5873 -5.0423 -5.0423 -4.9027 -4.9027 -4.3441 -4.3441 -3.2972 -3.2972 -3.1133 -3.1133 -1.5057 -1.5057 -1.4396 -1.4396 -1.1979 -1.1979 -1.0623 -1.0623 1.1517 1.1517 6.2143 6.2143 7.3382 7.3382 7.5369 7.5369 7.6740 7.6740 7.8424 7.8424 7.9702 7.9702 8.3981 8.3981 8.4992 8.4992 8.5141 8.5141 8.7368 8.7368 8.9272 8.9272 13.3495 13.3495 13.5491 13.5491 14.3692 14.3692 14.5310 14.5310 15.5868 15.5868 16.0247 16.0247 k = 0.1959 0.2325 1.0733 ( 4528 PWs) bands (ev): -16.5640 -16.5640 -16.5200 -16.5200 -8.4810 -8.4810 -7.8763 -7.8763 -7.4894 -7.4894 -7.2378 -7.2378 -6.9669 -6.9669 -6.5970 -6.5970 -5.0570 -5.0570 -4.9057 -4.9057 -4.3659 -4.3659 -3.3011 -3.3011 -3.1174 -3.1174 -1.5110 -1.5110 -1.4491 -1.4491 -1.2043 -1.2043 -1.0656 -1.0656 1.1256 1.1256 6.2231 6.2231 7.3497 7.3497 7.5585 7.5585 7.6727 7.6727 7.8802 7.8802 7.9791 7.9791 8.4234 8.4234 8.5094 8.5094 8.5260 8.5260 8.7759 8.7759 8.9332 8.9332 13.3204 13.3204 13.5188 13.5188 14.3395 14.3395 14.5683 14.5683 15.5879 15.5879 16.0327 16.0327 k = 0.2027 0.2177 1.0895 ( 4522 PWs) bands (ev): -16.5632 -16.5632 -16.5193 -16.5193 -8.4797 -8.4797 -7.8257 -7.8257 -7.4904 -7.4904 -7.2603 -7.2603 -6.9645 -6.9645 -6.6061 -6.6061 -5.0711 -5.0711 -4.9084 -4.9084 -4.3849 -4.3849 -3.3045 -3.3045 -3.1210 -3.1210 -1.5158 -1.5158 -1.4577 -1.4577 -1.2100 -1.2100 -1.0686 -1.0686 1.1028 1.1028 6.2311 6.2311 7.3604 7.3604 7.5767 7.5767 7.6711 7.6711 7.9119 7.9119 7.9877 7.9877 8.4467 8.4467 8.5164 8.5164 8.5373 8.5373 8.8107 8.8107 8.9429 8.9429 13.2934 13.2934 13.4921 13.4921 14.3066 14.3066 14.6082 14.6082 15.5968 15.5968 16.0350 16.0350 k = 0.2095 0.2029 1.1058 ( 4524 PWs) bands (ev): -16.5625 -16.5625 -16.5187 -16.5187 -8.4786 -8.4786 -7.7756 -7.7756 -7.4913 -7.4913 -7.2853 -7.2853 -6.9625 -6.9625 -6.6144 -6.6144 -5.0843 -5.0843 -4.9108 -4.9108 -4.4010 -4.4010 -3.3075 -3.3075 -3.1243 -3.1243 -1.5199 -1.5199 -1.4652 -1.4652 -1.2151 -1.2151 -1.0712 -1.0712 1.0832 1.0832 6.2382 6.2382 7.3701 7.3701 7.5916 7.5916 7.6696 7.6696 7.9376 7.9376 7.9962 7.9962 8.4676 8.4676 8.5214 8.5214 8.5476 8.5476 8.8379 8.8379 8.9576 8.9576 13.2690 13.2690 13.4692 13.4692 14.2756 14.2756 14.6451 14.6451 15.6140 15.6140 16.0311 16.0311 k = 0.2162 0.1882 1.1221 ( 4522 PWs) bands (ev): -16.5619 -16.5619 -16.5182 -16.5182 -8.4777 -8.4777 -7.7261 -7.7261 -7.4920 -7.4920 -7.3128 -7.3128 -6.9607 -6.9607 -6.6218 -6.6218 -5.0962 -5.0962 -4.9129 -4.9129 -4.4145 -4.4145 -3.3101 -3.3101 -3.1270 -3.1270 -1.5233 -1.5233 -1.4716 -1.4716 -1.2196 -1.2196 -1.0734 -1.0734 1.0667 1.0667 6.2443 6.2443 7.3788 7.3788 7.6031 7.6031 7.6686 7.6686 7.9578 7.9578 8.0044 8.0044 8.4861 8.4861 8.5254 8.5254 8.5562 8.5562 8.8562 8.8562 8.9770 8.9770 13.2475 13.2475 13.4498 13.4498 14.2482 14.2482 14.6769 14.6769 15.6395 15.6395 16.0201 16.0201 k = 0.2230 0.1734 1.1383 ( 4522 PWs) bands (ev): -16.5614 -16.5614 -16.5178 -16.5178 -8.4770 -8.4770 -7.6776 -7.6776 -7.4927 -7.4927 -7.3428 -7.3428 -6.9592 -6.9592 -6.6281 -6.6281 -5.1065 -5.1065 -4.9146 -4.9146 -4.4253 -4.4253 -3.3122 -3.3122 -3.1293 -3.1293 -1.5262 -1.5262 -1.4769 -1.4769 -1.2233 -1.2233 -1.0753 -1.0753 1.0533 1.0533 6.2494 6.2494 7.3862 7.3862 7.6116 7.6116 7.6683 7.6683 7.9727 7.9727 8.0124 8.0124 8.5018 8.5018 8.5284 8.5284 8.5631 8.5631 8.8672 8.8672 8.9982 8.9982 13.2293 13.2293 13.4341 13.4341 14.2251 14.2251 14.7027 14.7027 15.6727 15.6727 16.0012 16.0012 k = 0.2297 0.1586 1.1546 ( 4522 PWs) bands (ev): -16.5610 -16.5610 -16.5175 -16.5175 -8.4764 -8.4764 -7.6305 -7.6305 -7.4932 -7.4932 -7.3752 -7.3752 -6.9580 -6.9580 -6.6332 -6.6332 -5.1149 -5.1149 -4.9160 -4.9160 -4.4337 -4.4337 -3.3139 -3.3139 -3.1311 -3.1311 -1.5284 -1.5284 -1.4810 -1.4810 -1.2262 -1.2262 -1.0767 -1.0767 1.0429 1.0429 6.2534 6.2534 7.3923 7.3923 7.6171 7.6171 7.6686 7.6686 7.9830 7.9830 8.0197 8.0197 8.5143 8.5143 8.5309 8.5309 8.5682 8.5682 8.8736 8.8736 9.0178 9.0178 13.2149 13.2149 13.4219 13.4219 14.2068 14.2068 14.7224 14.7224 15.7123 15.7123 15.9742 15.9742 k = 0.2365 0.1438 1.1708 ( 4524 PWs) bands (ev): -16.5607 -16.5607 -16.5173 -16.5173 -8.4761 -8.4761 -7.5857 -7.5857 -7.4935 -7.4935 -7.4094 -7.4094 -6.9572 -6.9572 -6.6369 -6.6369 -5.1210 -5.1210 -4.9170 -4.9170 -4.4395 -4.4395 -3.3151 -3.3151 -3.1324 -3.1324 -1.5300 -1.5300 -1.4840 -1.4840 -1.2283 -1.2283 -1.0778 -1.0778 1.0355 1.0355 6.2563 6.2563 7.3967 7.3967 7.6203 7.6203 7.6694 7.6694 7.9896 7.9896 8.0256 8.0256 8.5233 8.5233 8.5331 8.5331 8.5716 8.5716 8.8772 8.8772 9.0332 9.0332 13.2044 13.2044 13.4133 13.4133 14.1936 14.1936 14.7360 14.7360 15.7567 15.7567 15.9395 15.9395 k = 0.2432 0.1290 1.1871 ( 4518 PWs) bands (ev): -16.5605 -16.5605 -16.5171 -16.5171 -8.4758 -8.4758 -7.5452 -7.5452 -7.4936 -7.4936 -7.4435 -7.4435 -6.9567 -6.9567 -6.6391 -6.6391 -5.1248 -5.1248 -4.9176 -4.9176 -4.4430 -4.4430 -3.3158 -3.3158 -3.1331 -3.1331 -1.5309 -1.5309 -1.4858 -1.4858 -1.2296 -1.2296 -1.0784 -1.0784 1.0311 1.0311 6.2581 6.2581 7.3994 7.3994 7.6219 7.6219 7.6701 7.6701 7.9933 7.9933 8.0294 8.0294 8.5283 8.5283 8.5351 8.5351 8.5735 8.5735 8.8790 8.8790 9.0429 9.0429 13.1980 13.1980 13.4081 13.4081 14.1856 14.1856 14.7440 14.7440 15.8034 15.8034 15.8987 15.8987 k = 0.2500 0.1142 1.2034 ( 4520 PWs) bands (ev): -16.5605 -16.5605 -16.5171 -16.5171 -8.4757 -8.4757 -7.5226 -7.5226 -7.4933 -7.4933 -7.4644 -7.4644 -6.9565 -6.9565 -6.6399 -6.6399 -5.1260 -5.1260 -4.9177 -4.9177 -4.4442 -4.4442 -3.3160 -3.3160 -3.1334 -3.1334 -1.5312 -1.5312 -1.4864 -1.4864 -1.2300 -1.2300 -1.0786 -1.0786 1.0296 1.0296 6.2586 6.2586 7.4003 7.4003 7.6224 7.6224 7.6704 7.6704 7.9944 7.9944 8.0307 8.0307 8.5296 8.5296 8.5361 8.5361 8.5741 8.5741 8.8796 8.8796 9.0462 9.0462 13.1959 13.1959 13.4063 13.4063 14.1830 14.1830 14.7467 14.7467 15.8425 15.8425 15.8616 15.8616 k = 0.2500 0.1142 1.2034 ( 4520 PWs) bands (ev): -16.5605 -16.5605 -16.5171 -16.5171 -8.4757 -8.4757 -7.5226 -7.5226 -7.4933 -7.4933 -7.4644 -7.4644 -6.9565 -6.9565 -6.6399 -6.6399 -5.1260 -5.1260 -4.9177 -4.9177 -4.4442 -4.4442 -3.3160 -3.3160 -3.1334 -3.1334 -1.5312 -1.5312 -1.4864 -1.4864 -1.2300 -1.2300 -1.0786 -1.0786 1.0296 1.0296 6.2586 6.2586 7.4003 7.4003 7.6224 7.6224 7.6704 7.6704 7.9944 7.9944 8.0307 8.0307 8.5296 8.5296 8.5361 8.5361 8.5741 8.5741 8.8796 8.8796 9.0462 9.0462 13.1959 13.1959 13.4063 13.4063 14.1830 14.1830 14.7467 14.7467 15.8425 15.8425 15.8616 15.8616 k = 0.2692 0.1230 1.1937 ( 4514 PWs) bands (ev): -16.5605 -16.5605 -16.5171 -16.5171 -8.4758 -8.4758 -7.5275 -7.5275 -7.4935 -7.4935 -7.4596 -7.4596 -6.9565 -6.9565 -6.6398 -6.6398 -5.1258 -5.1258 -4.9178 -4.9178 -4.4440 -4.4440 -3.3158 -3.3158 -3.1334 -3.1334 -1.5333 -1.5333 -1.4839 -1.4839 -1.2313 -1.2313 -1.0773 -1.0773 1.0293 1.0293 6.2615 6.2615 7.3964 7.3964 7.6210 7.6210 7.6719 7.6719 7.9939 7.9939 8.0305 8.0305 8.5067 8.5067 8.5574 8.5574 8.5750 8.5750 8.8810 8.8810 9.0457 9.0457 13.1787 13.1787 13.4274 13.4274 14.1837 14.1837 14.7455 14.7455 15.8110 15.8110 15.8712 15.8712 k = 0.2885 0.1318 1.1840 ( 4516 PWs) bands (ev): -16.5605 -16.5605 -16.5171 -16.5171 -8.4758 -8.4758 -7.5392 -7.5392 -7.4944 -7.4944 -7.4481 -7.4481 -6.9564 -6.9564 -6.6394 -6.6394 -5.1252 -5.1252 -4.9178 -4.9178 -4.4434 -4.4434 -3.3154 -3.3154 -3.1334 -3.1334 -1.5382 -1.5382 -1.4775 -1.4775 -1.2348 -1.2348 -1.0734 -1.0734 1.0283 1.0283 6.2699 6.2699 7.3848 7.3848 7.6173 7.6173 7.6759 7.6759 7.9923 7.9923 8.0299 8.0299 8.4805 8.4805 8.5688 8.5688 8.5875 8.5875 8.8851 8.8851 9.0440 9.0440 13.1403 13.1403 13.4777 13.4777 14.1860 14.1860 14.7420 14.7420 15.7458 15.7458 15.8792 15.8792 k = 0.3077 0.1406 1.1744 ( 4519 PWs) bands (ev): -16.5605 -16.5605 -16.5172 -16.5172 -8.4759 -8.4759 -7.5539 -7.5539 -7.4960 -7.4960 -7.4337 -7.4337 -6.9563 -6.9563 -6.6388 -6.6388 -5.1241 -5.1241 -4.9179 -4.9179 -4.4425 -4.4425 -3.3146 -3.3146 -3.1335 -3.1335 -1.5444 -1.5444 -1.4690 -1.4690 -1.2402 -1.2402 -1.0676 -1.0676 1.0269 1.0269 6.2837 6.2837 7.3659 7.3659 7.6122 7.6122 7.6817 7.6817 7.9899 7.9899 8.0289 8.0289 8.4542 8.4542 8.5685 8.5685 8.6103 8.6103 8.8915 8.8915 9.0411 9.0411 13.0960 13.0960 13.5413 13.5413 14.1898 14.1898 14.7361 14.7361 15.6637 15.6637 15.8836 15.8836 k = 0.3269 0.1493 1.1647 ( 4518 PWs) bands (ev): -16.5606 -16.5606 -16.5173 -16.5173 -8.4761 -8.4761 -7.5698 -7.5698 -7.4984 -7.4984 -7.4180 -7.4180 -6.9562 -6.9562 -6.6379 -6.6379 -5.1227 -5.1227 -4.9180 -4.9180 -4.4411 -4.4411 -3.3136 -3.3136 -3.1336 -3.1336 -1.5507 -1.5507 -1.4593 -1.4593 -1.2471 -1.2471 -1.0603 -1.0603 1.0251 1.0251 6.3025 6.3025 7.3401 7.3401 7.6065 7.6065 7.6885 7.6885 7.9866 7.9866 8.0273 8.0273 8.4284 8.4284 8.5666 8.5666 8.6327 8.6327 8.8996 8.8996 9.0370 9.0370 13.0528 13.0528 13.6113 13.6113 14.1950 14.1950 14.7280 14.7280 15.5734 15.5734 15.8864 15.8864 k = 0.3462 0.1581 1.1551 ( 4523 PWs) bands (ev): -16.5606 -16.5606 -16.5174 -16.5174 -8.4763 -8.4763 -7.5864 -7.5864 -7.5015 -7.5015 -7.4017 -7.4017 -6.9560 -6.9560 -6.6368 -6.6368 -5.1208 -5.1208 -4.9181 -4.9181 -4.4393 -4.4393 -3.3123 -3.3123 -3.1337 -3.1337 -1.5566 -1.5566 -1.4490 -1.4490 -1.2548 -1.2548 -1.0523 -1.0523 1.0232 1.0232 6.3259 6.3259 7.3085 7.3085 7.6008 7.6008 7.6960 7.6960 7.9826 7.9826 8.0252 8.0252 8.4035 8.4035 8.5639 8.5639 8.6538 8.6538 8.9088 8.9088 9.0318 9.0318 13.0132 13.0132 13.6841 13.6841 14.2018 14.2018 14.7177 14.7177 15.4801 15.4801 15.8887 15.8887 k = 0.3654 0.1669 1.1454 ( 4522 PWs) bands (ev): -16.5607 -16.5607 -16.5175 -16.5175 -8.4765 -8.4765 -7.6033 -7.6033 -7.5053 -7.5053 -7.3851 -7.3851 -6.9559 -6.9559 -6.6353 -6.6353 -5.1184 -5.1184 -4.9182 -4.9182 -4.4370 -4.4370 -3.3108 -3.3108 -3.1339 -3.1339 -1.5618 -1.5618 -1.4385 -1.4385 -1.2632 -1.2632 -1.0441 -1.0441 1.0215 1.0215 6.3531 6.3531 7.2722 7.2722 7.5954 7.5954 7.7037 7.7037 7.9780 7.9780 8.0223 8.0223 8.3797 8.3797 8.5606 8.5606 8.6730 8.6730 8.9185 8.9185 9.0254 9.0254 12.9786 12.9786 13.7575 13.7575 14.2105 14.2105 14.7052 14.7052 15.3873 15.3873 15.8917 15.8917 k = 0.3846 0.1757 1.1358 ( 4520 PWs) bands (ev): -16.5607 -16.5607 -16.5177 -16.5177 -8.4768 -8.4768 -7.6204 -7.6204 -7.5098 -7.5098 -7.3684 -7.3684 -6.9559 -6.9559 -6.6336 -6.6336 -5.1157 -5.1157 -4.9182 -4.9182 -4.4343 -4.4343 -3.3091 -3.3091 -3.1341 -3.1341 -1.5661 -1.5661 -1.4279 -1.4279 -1.2717 -1.2717 -1.0361 -1.0361 1.0202 1.0202 6.3830 6.3830 7.2326 7.2326 7.5904 7.5904 7.7114 7.7114 7.9731 7.9731 8.0187 8.0187 8.3576 8.3576 8.5567 8.5567 8.6900 8.6900 8.9277 8.9277 9.0179 9.0179 12.9497 12.9497 13.8289 13.8289 14.2216 14.2216 14.6907 14.6907 15.2974 15.2974 15.8960 15.8960 k = 0.4038 0.1845 1.1261 ( 4524 PWs) bands (ev): -16.5607 -16.5607 -16.5180 -16.5180 -8.4770 -8.4770 -7.6376 -7.6376 -7.5150 -7.5150 -7.3517 -7.3517 -6.9560 -6.9560 -6.6315 -6.6315 -5.1124 -5.1124 -4.9180 -4.9180 -4.4312 -4.4312 -3.3072 -3.3072 -3.1344 -3.1344 -1.5693 -1.5693 -1.4175 -1.4175 -1.2800 -1.2800 -1.0289 -1.0289 1.0197 1.0197 6.4145 6.4145 7.1915 7.1915 7.5860 7.5860 7.7187 7.7187 7.9679 7.9679 8.0143 8.0143 8.3374 8.3374 8.5520 8.5520 8.7048 8.7048 8.9359 8.9359 9.0094 9.0094 12.9271 12.9271 13.8955 13.8955 14.2361 14.2361 14.6741 14.6741 15.2130 15.2130 15.9023 15.9023 k = 0.4231 0.1933 1.1164 ( 4527 PWs) bands (ev): -16.5608 -16.5608 -16.5183 -16.5183 -8.4773 -8.4773 -7.6549 -7.6549 -7.5209 -7.5209 -7.3349 -7.3349 -6.9562 -6.9562 -6.6292 -6.6292 -5.1087 -5.1087 -4.9178 -4.9178 -4.4275 -4.4275 -3.3053 -3.3053 -3.1346 -3.1346 -1.5715 -1.5715 -1.4075 -1.4075 -1.2880 -1.2880 -1.0226 -1.0226 1.0201 1.0201 6.4458 6.4458 7.1511 7.1511 7.5822 7.5822 7.7252 7.7252 7.9625 7.9625 8.0091 8.0091 8.3197 8.3197 8.5465 8.5465 8.7169 8.7169 8.9422 8.9422 9.0002 9.0002 12.9110 12.9110 13.9535 13.9535 14.2552 14.2552 14.6556 14.6556 15.1366 15.1366 15.9110 15.9110 k = 0.4423 0.2020 1.1068 ( 4526 PWs) bands (ev): -16.5608 -16.5608 -16.5186 -16.5186 -8.4776 -8.4776 -7.6722 -7.6722 -7.5274 -7.5274 -7.3181 -7.3181 -6.9565 -6.9565 -6.6266 -6.6266 -5.1046 -5.1046 -4.9174 -4.9174 -4.4234 -4.4234 -3.3033 -3.3033 -3.1348 -3.1348 -1.5725 -1.5725 -1.3982 -1.3982 -1.2951 -1.2951 -1.0176 -1.0176 1.0219 1.0219 6.4745 6.4745 7.1140 7.1140 7.5791 7.5791 7.7306 7.7306 7.9571 7.9571 8.0032 8.0032 8.3046 8.3046 8.5403 8.5403 8.7264 8.7264 8.9460 8.9460 8.9908 8.9908 12.9016 12.9016 13.9989 13.9989 14.2796 14.2796 14.6354 14.6354 15.0715 15.0715 15.9224 15.9224 k = 0.4615 0.2108 1.0971 ( 4533 PWs) bands (ev): -16.5608 -16.5608 -16.5189 -16.5189 -8.4779 -8.4779 -7.6896 -7.6896 -7.5345 -7.5345 -7.3014 -7.3014 -6.9569 -6.9569 -6.6237 -6.6237 -5.1000 -5.1000 -4.9169 -4.9169 -4.4188 -4.4188 -3.3014 -3.3014 -3.1350 -3.1350 -1.5723 -1.5723 -1.3901 -1.3901 -1.3009 -1.3009 -1.0140 -1.0140 1.0251 1.0251 6.4977 6.4977 7.0834 7.0834 7.5764 7.5764 7.7342 7.7342 7.9518 7.9518 7.9967 7.9967 8.2926 8.2926 8.5331 8.5331 8.7330 8.7330 8.9463 8.9463 8.9817 8.9817 12.8990 12.8990 14.0290 14.0290 14.3075 14.3075 14.6142 14.6142 15.0213 15.0213 15.9368 15.9368 k = 0.4808 0.2196 1.0875 ( 4536 PWs) bands (ev): -16.5609 -16.5609 -16.5193 -16.5193 -8.4782 -8.4782 -7.7069 -7.7069 -7.5421 -7.5421 -7.2847 -7.2847 -6.9575 -6.9575 -6.6207 -6.6207 -5.0949 -5.0949 -4.9162 -4.9162 -4.4138 -4.4138 -3.2996 -3.2996 -3.1350 -3.1350 -1.5709 -1.5709 -1.3841 -1.3841 -1.3046 -1.3046 -1.0119 -1.0119 1.0298 1.0298 6.5123 6.5123 7.0627 7.0627 7.5744 7.5744 7.7358 7.7358 7.9468 7.9468 7.9898 7.9898 8.2839 8.2839 8.5249 8.5249 8.7365 8.7365 8.9425 8.9425 8.9737 8.9737 12.9031 12.9031 14.0435 14.0435 14.3337 14.3337 14.5936 14.5936 14.9898 14.9898 15.9542 15.9542 k = 0.5000 0.2284 1.0778 ( 4534 PWs) bands (ev): -16.5609 -16.5609 -16.5197 -16.5197 -8.4785 -8.4785 -7.7243 -7.7243 -7.5503 -7.5503 -7.2682 -7.2682 -6.9583 -6.9583 -6.6174 -6.6174 -5.0893 -5.0893 -4.9153 -4.9153 -4.4084 -4.4084 -3.2980 -3.2980 -3.1348 -3.1348 -1.5683 -1.5683 -1.3808 -1.3808 -1.3053 -1.3053 -1.0113 -1.0113 1.0363 1.0363 6.5156 6.5156 7.0546 7.0546 7.5729 7.5729 7.7350 7.7350 7.9420 7.9420 7.9828 7.9828 8.2786 8.2786 8.5156 8.5156 8.7370 8.7370 8.9347 8.9347 8.9667 8.9667 12.9140 12.9140 14.0438 14.0438 14.3514 14.3514 14.5764 14.5764 14.9799 14.9799 15.9746 15.9746 k = 0.5000 0.2284 1.0778 ( 4534 PWs) bands (ev): -16.5609 -16.5609 -16.5197 -16.5197 -8.4785 -8.4785 -7.7243 -7.7243 -7.5503 -7.5503 -7.2682 -7.2682 -6.9583 -6.9583 -6.6174 -6.6174 -5.0893 -5.0893 -4.9153 -4.9153 -4.4084 -4.4084 -3.2980 -3.2980 -3.1348 -3.1348 -1.5683 -1.5683 -1.3808 -1.3808 -1.3053 -1.3053 -1.0113 -1.0113 1.0363 1.0363 6.5156 6.5156 7.0546 7.0546 7.5729 7.5729 7.7350 7.7350 7.9420 7.9420 7.9828 7.9828 8.2786 8.2786 8.5156 8.5156 8.7370 8.7370 8.9347 8.9347 8.9667 8.9667 12.9140 12.9140 14.0438 14.0438 14.3514 14.3514 14.5764 14.5764 14.9799 14.9799 15.9746 15.9746 k = 0.5000 0.2284 1.0549 ( 4538 PWs) bands (ev): -16.5611 -16.5611 -16.5208 -16.5208 -8.4793 -8.4793 -7.7653 -7.7653 -7.5717 -7.5717 -7.2293 -7.2293 -6.9603 -6.9603 -6.6090 -6.6090 -5.0743 -5.0743 -4.9128 -4.9128 -4.3940 -4.3940 -3.2940 -3.2940 -3.1341 -3.1341 -1.5600 -1.5600 -1.3766 -1.3766 -1.3026 -1.3026 -1.0118 -1.0118 1.0552 1.0552 6.5080 6.5080 7.0513 7.0513 7.5698 7.5698 7.7289 7.7289 7.9294 7.9294 7.9656 7.9656 8.2700 8.2700 8.4889 8.4889 8.7343 8.7343 8.9083 8.9083 8.9531 8.9531 12.9499 12.9499 14.0295 14.0295 14.3688 14.3688 14.5483 14.5483 14.9844 14.9844 16.0286 16.0286 k = 0.5000 0.2284 1.0319 ( 4526 PWs) bands (ev): -16.5613 -16.5613 -16.5220 -16.5220 -8.4803 -8.4803 -7.8062 -7.8062 -7.5957 -7.5957 -7.1911 -7.1911 -6.9624 -6.9624 -6.6000 -6.6000 -5.0567 -5.0567 -4.9100 -4.9100 -4.3775 -4.3775 -3.2893 -3.2893 -3.1332 -3.1332 -1.5505 -1.5505 -1.3716 -1.3716 -1.2997 -1.2997 -1.0124 -1.0124 1.0772 1.0772 6.4994 6.4994 7.0474 7.0474 7.5662 7.5662 7.7210 7.7210 7.9131 7.9131 7.9481 7.9481 8.2613 8.2613 8.4553 8.4553 8.7311 8.7311 8.8773 8.8773 8.9422 8.9422 12.9903 12.9903 14.0172 14.0172 14.3522 14.3522 14.5493 14.5493 14.9915 14.9915 16.0854 16.0854 k = 0.5000 0.2284 1.0090 ( 4532 PWs) bands (ev): -16.5615 -16.5615 -16.5234 -16.5234 -8.4813 -8.4813 -7.8467 -7.8467 -7.6220 -7.6220 -7.1537 -7.1537 -6.9646 -6.9646 -6.5905 -6.5905 -5.0368 -5.0368 -4.9067 -4.9067 -4.3590 -4.3590 -3.2842 -3.2842 -3.1323 -3.1323 -1.5398 -1.5398 -1.3660 -1.3660 -1.2965 -1.2965 -1.0130 -1.0130 1.1024 1.1024 6.4899 6.4899 7.0427 7.0427 7.5620 7.5620 7.7111 7.7111 7.8929 7.8929 7.9304 7.9304 8.2528 8.2528 8.4140 8.4140 8.7273 8.7273 8.8461 8.8461 8.9311 8.9311 13.0346 13.0346 14.0065 14.0065 14.3020 14.3020 14.5800 14.5800 15.0002 15.0002 16.1433 16.1433 k = 0.5000 0.2284 0.9861 ( 4536 PWs) bands (ev): -16.5618 -16.5618 -16.5249 -16.5249 -8.4825 -8.4825 -7.8868 -7.8868 -7.6502 -7.6502 -7.1172 -7.1172 -6.9669 -6.9669 -6.5807 -6.5807 -5.0144 -5.0144 -4.9031 -4.9031 -4.3388 -4.3388 -3.2785 -3.2785 -3.1314 -3.1314 -1.5281 -1.5281 -1.3596 -1.3596 -1.2931 -1.2931 -1.0136 -1.0136 1.1307 1.1307 6.4796 6.4796 7.0373 7.0373 7.5573 7.5573 7.6991 7.6991 7.8696 7.8696 7.9120 7.9120 8.2451 8.2451 8.3651 8.3651 8.7231 8.7231 8.8165 8.8165 8.9193 8.9193 13.0820 13.0820 13.9969 13.9969 14.2342 14.2342 14.6256 14.6256 15.0099 15.0099 16.2000 16.2000 k = 0.5000 0.2284 0.9631 ( 4528 PWs) bands (ev): -16.5621 -16.5621 -16.5266 -16.5266 -8.4837 -8.4837 -7.9264 -7.9264 -7.6801 -7.6801 -7.0820 -7.0820 -6.9689 -6.9689 -6.5708 -6.5708 -4.9897 -4.9897 -4.8990 -4.8990 -4.3170 -4.3170 -3.2723 -3.2723 -3.1303 -3.1303 -1.5153 -1.5153 -1.3525 -1.3525 -1.2896 -1.2896 -1.0143 -1.0143 1.1622 1.1622 6.4686 6.4686 7.0311 7.0311 7.5521 7.5521 7.6848 7.6848 7.8443 7.8443 7.8916 7.8916 8.2383 8.2383 8.3095 8.3095 8.7184 8.7184 8.7896 8.7896 8.9062 8.9062 13.1321 13.1321 13.9870 13.9870 14.1586 14.1586 14.6780 14.6780 15.0200 15.0200 16.2529 16.2529 k = 0.5000 0.2284 0.9402 ( 4528 PWs) bands (ev): -16.5624 -16.5624 -16.5285 -16.5285 -8.4851 -8.4851 -7.9656 -7.9656 -7.7114 -7.7114 -7.0483 -7.0483 -6.9703 -6.9703 -6.5610 -6.5610 -4.9629 -4.9629 -4.8943 -4.8943 -4.2938 -4.2938 -3.2658 -3.2658 -3.1292 -3.1292 -1.5017 -1.5017 -1.3447 -1.3447 -1.2859 -1.2859 -1.0151 -1.0151 1.1967 1.1967 6.4570 6.4570 7.0241 7.0241 7.5462 7.5462 7.6684 7.6684 7.8179 7.8179 7.8677 7.8677 8.2327 8.2327 8.2490 8.2490 8.7131 8.7131 8.7655 8.7655 8.8919 8.8919 13.1840 13.1840 13.9722 13.9722 14.0834 14.0834 14.7343 14.7343 15.0298 15.0298 16.2926 16.2926 k = 0.5000 0.2284 0.9173 ( 4532 PWs) bands (ev): -16.5628 -16.5628 -16.5304 -16.5304 -8.4866 -8.4866 -8.0042 -8.0042 -7.7437 -7.7437 -7.0176 -7.0176 -6.9697 -6.9697 -6.5513 -6.5513 -4.9349 -4.9349 -4.8883 -4.8883 -4.2693 -4.2693 -3.2588 -3.2588 -3.1281 -3.1281 -1.4873 -1.4873 -1.3362 -1.3362 -1.2823 -1.2823 -1.0158 -1.0158 1.2344 1.2344 6.4449 6.4449 7.0161 7.0161 7.5396 7.5396 7.6502 7.6502 7.7910 7.7910 7.8384 7.8384 8.1858 8.1858 8.2289 8.2289 8.7073 8.7073 8.7440 8.7440 8.8763 8.8763 13.2372 13.2372 13.9344 13.9344 14.0284 14.0284 14.7927 14.7927 15.0390 15.0390 16.2555 16.2555 k = 0.5000 0.2284 0.8944 ( 4536 PWs) bands (ev): -16.5632 -16.5632 -16.5326 -16.5326 -8.4882 -8.4882 -8.0422 -8.0422 -7.7769 -7.7769 -6.9957 -6.9957 -6.9614 -6.9614 -6.5418 -6.5418 -4.9089 -4.9089 -4.8777 -4.8777 -4.2438 -4.2438 -3.2516 -3.2516 -3.1270 -3.1270 -1.4722 -1.4722 -1.3269 -1.3269 -1.2786 -1.2786 -1.0167 -1.0167 1.2751 1.2751 6.4322 6.4322 7.0072 7.0072 7.5321 7.5321 7.6307 7.6307 7.7640 7.7640 7.8014 7.8014 8.1242 8.1242 8.2262 8.2262 8.7008 8.7008 8.7248 8.7248 8.8593 8.8593 13.2905 13.2905 13.8612 13.8612 14.0075 14.0075 14.8524 14.8524 15.0473 15.0473 16.1460 16.1460 k = 0.5000 0.2284 0.8714 ( 4536 PWs) bands (ev): -16.5636 -16.5636 -16.5348 -16.5348 -8.4899 -8.4899 -8.0795 -8.0795 -7.8106 -7.8106 -6.9889 -6.9889 -6.9390 -6.9390 -6.5327 -6.5327 -4.8929 -4.8929 -4.8546 -4.8546 -4.2175 -4.2175 -3.2441 -3.2441 -3.1258 -3.1258 -1.4567 -1.4567 -1.3171 -1.3171 -1.2750 -1.2750 -1.0176 -1.0176 1.3190 1.3190 6.4190 6.4190 6.9973 6.9973 7.5235 7.5235 7.6104 7.6104 7.7369 7.7369 7.7547 7.7547 8.0675 8.0675 8.2248 8.2248 8.6934 8.6934 8.7077 8.7077 8.8409 8.8409 13.3422 13.3422 13.7743 13.7743 14.0009 14.0009 14.9121 14.9121 15.0549 15.0549 16.0257 16.0257 k = 0.5000 0.2284 0.8485 ( 4548 PWs) bands (ev): -16.5641 -16.5641 -16.5372 -16.5372 -8.4917 -8.4917 -8.1162 -8.1162 -7.8447 -7.8447 -6.9885 -6.9885 -6.9112 -6.9112 -6.5239 -6.5239 -4.8849 -4.8849 -4.8211 -4.8211 -4.1904 -4.1904 -3.2364 -3.2364 -3.1246 -3.1246 -1.4408 -1.4408 -1.3067 -1.3067 -1.2713 -1.2713 -1.0186 -1.0186 1.3660 1.3660 6.4054 6.4054 6.9865 6.9865 7.5134 7.5134 7.5902 7.5902 7.6922 7.6922 7.7144 7.7144 8.0188 8.0188 8.2247 8.2247 8.6841 8.6841 8.6934 8.6934 8.8211 8.8211 13.3884 13.3884 13.6873 13.6873 13.9989 13.9989 14.9695 14.9695 15.0634 15.0634 15.9024 15.9024 k = 0.5000 0.2284 0.8256 ( 4544 PWs) bands (ev): -16.5646 -16.5646 -16.5397 -16.5397 -8.4937 -8.4937 -8.1521 -8.1521 -7.8790 -7.8790 -6.9895 -6.9895 -6.8829 -6.8829 -6.5155 -6.5155 -4.8791 -4.8791 -4.7832 -4.7832 -4.1629 -4.1629 -3.2286 -3.2286 -3.1233 -3.1233 -1.4246 -1.4246 -1.2960 -1.2960 -1.2675 -1.2675 -1.0197 -1.0197 1.4161 1.4161 6.3912 6.3912 6.9746 6.9746 7.5008 7.5008 7.5704 7.5704 7.6227 7.6227 7.6894 7.6894 7.9786 7.9786 8.2256 8.2256 8.6717 8.6717 8.6827 8.6827 8.8000 8.8000 13.4155 13.4155 13.6163 13.6163 13.9991 13.9991 15.0162 15.0162 15.0804 15.0804 15.7785 15.7785 k = 0.5000 0.2284 0.8026 ( 4540 PWs) bands (ev): -16.5651 -16.5651 -16.5423 -16.5423 -8.4958 -8.4958 -8.1873 -8.1873 -7.9132 -7.9132 -6.9909 -6.9909 -6.8553 -6.8553 -6.5074 -6.5074 -4.8739 -4.8739 -4.7425 -4.7425 -4.1350 -4.1350 -3.2208 -3.2208 -3.1220 -3.1220 -1.4084 -1.4084 -1.2854 -1.2854 -1.2629 -1.2629 -1.0210 -1.0210 1.4692 1.4692 6.3764 6.3764 6.9616 6.9616 7.4833 7.4833 7.5369 7.5369 7.5613 7.5613 7.6665 7.6665 7.9456 7.9456 8.2274 8.2274 8.6581 8.6581 8.6735 8.6735 8.7775 8.7775 13.3902 13.3902 13.5951 13.5951 14.0007 14.0007 15.0369 15.0369 15.1208 15.1208 15.6552 15.6552 k = 0.5000 0.2284 0.7797 ( 4532 PWs) bands (ev): -16.5657 -16.5657 -16.5449 -16.5449 -8.4981 -8.4981 -8.2217 -8.2217 -7.9472 -7.9472 -6.9922 -6.9922 -6.8286 -6.8286 -6.4998 -6.4998 -4.8689 -4.8689 -4.6995 -4.6995 -4.1069 -4.1069 -3.2131 -3.2131 -3.1206 -3.1206 -1.3923 -1.3923 -1.2764 -1.2764 -1.2564 -1.2564 -1.0224 -1.0224 1.5255 1.5255 6.3609 6.3609 6.9475 6.9475 7.4368 7.4368 7.4828 7.4828 7.5430 7.5430 7.6453 7.6453 7.9180 7.9180 8.2298 8.2298 8.6446 8.6446 8.6644 8.6644 8.7538 8.7538 13.3143 13.3143 13.6220 13.6220 14.0032 14.0032 15.0404 15.0404 15.1753 15.1753 15.5336 15.5336 k = 0.5000 0.2284 0.7568 ( 4524 PWs) bands (ev): -16.5663 -16.5663 -16.5477 -16.5477 -8.5006 -8.5006 -8.2553 -8.2553 -7.9807 -7.9807 -6.9934 -6.9934 -6.8030 -6.8030 -6.4926 -6.4926 -4.8641 -4.8641 -4.6545 -4.6545 -4.0788 -4.0788 -3.2057 -3.2057 -3.1190 -3.1190 -1.3766 -1.3766 -1.2701 -1.2701 -1.2467 -1.2467 -1.0241 -1.0241 1.5848 1.5848 6.3445 6.3445 6.9320 6.9320 7.3501 7.3501 7.4598 7.4598 7.5306 7.5306 7.6259 7.6259 7.8941 7.8941 8.2326 8.2326 8.6314 8.6314 8.6549 8.6549 8.7289 8.7289 13.2205 13.2205 13.6642 13.6642 14.0064 14.0064 15.0376 15.0376 15.2327 15.2327 15.4150 15.4150 k = 0.5000 0.2284 0.7338 ( 4522 PWs) bands (ev): -16.5669 -16.5669 -16.5505 -16.5505 -8.5033 -8.5033 -8.2880 -8.2880 -8.0137 -8.0137 -6.9944 -6.9944 -6.7785 -6.7785 -6.4857 -6.4857 -4.8593 -4.8593 -4.6076 -4.6076 -4.0507 -4.0507 -3.1986 -3.1986 -3.1172 -3.1172 -1.3612 -1.3612 -1.2661 -1.2661 -1.2342 -1.2342 -1.0261 -1.0261 1.6472 1.6472 6.3269 6.3269 6.9146 6.9146 7.2572 7.2572 7.4408 7.4408 7.5204 7.5204 7.6083 7.6083 7.8727 7.8727 8.2357 8.2357 8.6185 8.6185 8.6449 8.6449 8.7029 8.7029 13.1214 13.1214 13.7087 13.7087 14.0100 14.0100 15.0313 15.0313 15.2897 15.2897 15.3006 15.3006 k = 0.5000 0.2284 0.7109 ( 4530 PWs) bands (ev): -16.5675 -16.5675 -16.5534 -16.5534 -8.5064 -8.5064 -8.3199 -8.3199 -8.0459 -8.0459 -6.9951 -6.9951 -6.7551 -6.7551 -6.4792 -6.4792 -4.8547 -4.8547 -4.5589 -4.5589 -4.0229 -4.0229 -3.1920 -3.1920 -3.1150 -3.1150 -1.3466 -1.3466 -1.2632 -1.2632 -1.2202 -1.2202 -1.0284 -1.0284 1.7126 1.7126 6.3078 6.3078 6.8944 6.8944 7.1646 7.1646 7.4231 7.4231 7.5115 7.5115 7.5926 7.5926 7.8530 7.8530 8.2389 8.2389 8.6059 8.6059 8.6345 8.6345 8.6759 8.6759 13.0205 13.0205 13.7508 13.7508 14.0138 14.0138 15.0223 15.0223 15.1919 15.1919 15.3454 15.3454 k = 0.5000 0.2284 0.6880 ( 4522 PWs) bands (ev): -16.5682 -16.5682 -16.5564 -16.5564 -8.5098 -8.5098 -8.3509 -8.3509 -8.0772 -8.0772 -6.9955 -6.9955 -6.7327 -6.7327 -6.4731 -6.4731 -4.8501 -4.8501 -4.5088 -4.5088 -3.9954 -3.9954 -3.1861 -3.1861 -3.1123 -3.1123 -1.3330 -1.3330 -1.2607 -1.2607 -1.2052 -1.2052 -1.0311 -1.0311 1.7810 1.7810 6.2864 6.2864 6.8692 6.8692 7.0766 7.0766 7.4068 7.4068 7.5035 7.5035 7.5787 7.5787 7.8347 7.8347 8.2422 8.2422 8.5934 8.5934 8.6234 8.6234 8.6485 8.6485 12.9197 12.9197 13.7878 13.7878 14.0177 14.0177 15.0110 15.0110 15.0911 15.0911 15.3992 15.3992 k = 0.5000 0.2284 0.6650 ( 4522 PWs) bands (ev): -16.5689 -16.5689 -16.5594 -16.5594 -8.5136 -8.5136 -8.3810 -8.3810 -8.1074 -8.1074 -6.9956 -6.9956 -6.7115 -6.7115 -6.4674 -6.4674 -4.8456 -4.8456 -4.4572 -4.4572 -3.9684 -3.9684 -3.1812 -3.1812 -3.1091 -3.1091 -1.3206 -1.3206 -1.2581 -1.2581 -1.1896 -1.1896 -1.0340 -1.0340 1.8525 1.8525 6.2622 6.2622 6.8345 6.8345 6.9993 6.9993 7.3925 7.3925 7.4964 7.4964 7.5665 7.5665 7.8174 7.8174 8.2454 8.2454 8.5808 8.5808 8.6111 8.6111 8.6216 8.6216 12.8198 12.8198 13.8169 13.8169 14.0213 14.0213 14.9974 14.9974 15.0007 15.0007 15.4507 15.4507 k = 0.5000 0.2284 0.6421 ( 4522 PWs) bands (ev): -16.5697 -16.5697 -16.5624 -16.5624 -8.5180 -8.5180 -8.4102 -8.4102 -8.1363 -8.1363 -6.9953 -6.9953 -6.6914 -6.6914 -6.4620 -6.4620 -4.8413 -4.8413 -4.4044 -4.4044 -3.9418 -3.9418 -3.1772 -3.1772 -3.1051 -3.1051 -1.3101 -1.3101 -1.2549 -1.2549 -1.1737 -1.1737 -1.0373 -1.0373 1.9269 1.9269 6.2340 6.2340 6.7846 6.7846 6.9399 6.9399 7.3804 7.3804 7.4899 7.4899 7.5561 7.5561 7.8010 7.8010 8.2484 8.2484 8.5668 8.5668 8.5918 8.5918 8.6024 8.6024 12.7213 12.7213 13.8351 13.8351 14.0246 14.0246 14.9227 14.9227 14.9827 14.9827 15.4994 15.4994 k = 0.5000 0.2284 0.6192 ( 4530 PWs) bands (ev): -16.5704 -16.5704 -16.5655 -16.5655 -8.5230 -8.5230 -8.4385 -8.4385 -8.1637 -8.1637 -6.9947 -6.9947 -6.6722 -6.6722 -6.4569 -6.4569 -4.8370 -4.8370 -4.3506 -4.3506 -3.9159 -3.9159 -3.1744 -3.1744 -3.1004 -3.1004 -1.3018 -1.3018 -1.2506 -1.2506 -1.1577 -1.1577 -1.0408 -1.0408 2.0042 2.0042 6.2004 6.2004 6.7211 6.7211 6.8986 6.8986 7.3709 7.3709 7.4840 7.4840 7.5474 7.5474 7.7853 7.7853 8.2512 8.2512 8.5477 8.5477 8.5711 8.5711 8.5895 8.5895 12.6249 12.6249 13.8393 13.8393 14.0272 14.0272 14.8613 14.8613 14.9661 14.9661 15.5451 15.5451 k = 0.5000 0.2284 0.5962 ( 4528 PWs) bands (ev): -16.5712 -16.5712 -16.5686 -16.5686 -8.5287 -8.5287 -8.4658 -8.4658 -8.1894 -8.1894 -6.9937 -6.9937 -6.6541 -6.6541 -6.4521 -6.4521 -4.8329 -4.8329 -4.2958 -4.2958 -3.8906 -3.8906 -3.1727 -3.1727 -3.0950 -3.0950 -1.2962 -1.2962 -1.2451 -1.2451 -1.1416 -1.1416 -1.0445 -1.0445 2.0843 2.0843 6.1598 6.1598 6.6535 6.6535 6.8676 6.8676 7.3641 7.3641 7.4786 7.4786 7.5402 7.5402 7.7702 7.7702 8.2537 8.2537 8.5222 8.5222 8.5565 8.5565 8.5767 8.5767 12.5309 12.5309 13.8272 13.8272 14.0291 14.0291 14.8184 14.8184 14.9480 14.9480 15.5875 15.5875 k = 0.5000 0.2284 0.5733 ( 4524 PWs) bands (ev): -16.5720 -16.5720 -16.5717 -16.5717 -8.5354 -8.5354 -8.4921 -8.4921 -8.2134 -8.2134 -6.9923 -6.9923 -6.6369 -6.6369 -6.4476 -6.4476 -4.8289 -4.8289 -4.2403 -4.2403 -3.8660 -3.8660 -3.1720 -3.1720 -3.0890 -3.0890 -1.2930 -1.2930 -1.2385 -1.2385 -1.1257 -1.1257 -1.0481 -1.0481 2.1673 2.1673 6.1109 6.1109 6.5898 6.5898 6.8406 6.8406 7.3602 7.3602 7.4738 7.4738 7.5347 7.5347 7.7557 7.7557 8.2559 8.2559 8.4942 8.4942 8.5449 8.5449 8.5639 8.5639 12.4396 12.4396 13.7977 13.7977 14.0302 14.0302 14.7952 14.7952 14.9288 14.9288 15.6259 15.6259 k = 0.5000 0.2284 0.5504 ( 4508 PWs) bands (ev): -16.5747 -16.5747 -16.5728 -16.5728 -8.5430 -8.5430 -8.5174 -8.5174 -8.2353 -8.2353 -6.9907 -6.9907 -6.6207 -6.6207 -6.4433 -6.4433 -4.8251 -4.8251 -4.1843 -4.1843 -3.8422 -3.8422 -3.1723 -3.1723 -3.0824 -3.0824 -1.2917 -1.2917 -1.2318 -1.2318 -1.1101 -1.1101 -1.0515 -1.0515 2.2529 2.2529 6.0529 6.0529 6.5336 6.5336 6.8144 6.8144 7.3592 7.3592 7.4694 7.4694 7.5307 7.5307 7.7419 7.7419 8.2579 8.2579 8.4661 8.4661 8.5345 8.5345 8.5509 8.5509 12.3514 12.3514 13.7519 13.7519 14.0304 14.0304 14.7904 14.7904 14.9084 14.9084 15.6599 15.6599 k = 0.5000 0.2284 0.5274 ( 4514 PWs) bands (ev): -16.5778 -16.5778 -16.5736 -16.5736 -8.5521 -8.5521 -8.5413 -8.5413 -8.2552 -8.2552 -6.9887 -6.9887 -6.6054 -6.6054 -6.4393 -6.4393 -4.8214 -4.8214 -4.1280 -4.1280 -3.8192 -3.8192 -3.1735 -3.1735 -3.0756 -3.0756 -1.2919 -1.2919 -1.2255 -1.2255 -1.0949 -1.0949 -1.0542 -1.0542 2.3412 2.3412 5.9861 5.9861 6.4862 6.4862 6.7874 6.7874 7.3612 7.3612 7.4655 7.4655 7.5282 7.5282 7.7286 7.7286 8.2595 8.2595 8.4388 8.4388 8.5244 8.5244 8.5382 8.5382 12.2665 12.2665 13.6927 13.6927 14.0296 14.0296 14.8012 14.8012 14.8873 14.8873 15.6884 15.6884 k = 0.5000 0.2284 0.5045 ( 4518 PWs) bands (ev): -16.5808 -16.5808 -16.5744 -16.5744 -8.5670 -8.5670 -8.5594 -8.5594 -8.2728 -8.2728 -6.9864 -6.9864 -6.5910 -6.5910 -6.4356 -6.4356 -4.8179 -4.8179 -4.0715 -4.0715 -3.7969 -3.7969 -3.1754 -3.1754 -3.0685 -3.0685 -1.2930 -1.2930 -1.2205 -1.2205 -1.0801 -1.0801 -1.0561 -1.0561 2.4320 2.4320 5.9123 5.9123 6.4468 6.4468 6.7586 6.7586 7.3661 7.3661 7.4621 7.4621 7.5272 7.5272 7.7159 7.7159 8.2608 8.2608 8.4130 8.4130 8.5138 8.5138 8.5263 8.5263 12.1850 12.1850 13.6236 13.6236 14.0275 14.0275 14.8238 14.8238 14.8658 14.8658 15.7091 15.7091 k = 0.5000 0.2284 0.4816 ( 4518 PWs) bands (ev): -16.5838 -16.5838 -16.5752 -16.5752 -8.5885 -8.5885 -8.5710 -8.5710 -8.2883 -8.2883 -6.9837 -6.9837 -6.5774 -6.5774 -6.4320 -6.4320 -4.8146 -4.8146 -4.0151 -4.0151 -3.7755 -3.7755 -3.1779 -3.1779 -3.0613 -3.0613 -1.2949 -1.2949 -1.2174 -1.2174 -1.0659 -1.0659 -1.0567 -1.0567 2.5253 2.5253 5.8333 5.8333 6.4138 6.4138 6.7273 6.7273 7.3738 7.3738 7.4590 7.4590 7.5276 7.5276 7.7038 7.7038 8.2617 8.2617 8.3893 8.3893 8.5020 8.5020 8.5161 8.5161 12.1071 12.1071 13.5477 13.5477 14.0240 14.0240 14.8379 14.8379 14.8611 14.8611 15.7168 15.7169 k = 0.5000 0.2284 0.4586 ( 4526 PWs) bands (ev): -16.5867 -16.5867 -16.5760 -16.5760 -8.6098 -8.6098 -8.5828 -8.5828 -8.3016 -8.3016 -6.9809 -6.9809 -6.5646 -6.5646 -6.4287 -6.4287 -4.8114 -4.8114 -3.9591 -3.9591 -3.7550 -3.7550 -3.1809 -3.1809 -3.0541 -3.0541 -1.2973 -1.2973 -1.2163 -1.2163 -1.0558 -1.0558 -1.0524 -1.0524 2.6209 2.6209 5.7513 5.7513 6.3855 6.3855 6.6933 6.6933 7.3841 7.3841 7.4563 7.4563 7.5292 7.5292 7.6923 7.6923 8.2624 8.2624 8.3680 8.3680 8.4889 8.4889 8.5076 8.5076 12.0330 12.0330 13.4679 13.4679 14.0191 14.0191 14.8166 14.8166 14.8977 14.8977 15.7048 15.7048 k = 0.5000 0.2284 0.4357 ( 4506 PWs) bands (ev): -16.5895 -16.5895 -16.5769 -16.5769 -8.6301 -8.6301 -8.5953 -8.5953 -8.3129 -8.3129 -6.9778 -6.9778 -6.5526 -6.5526 -6.4256 -6.4256 -4.8084 -4.8084 -3.9035 -3.9035 -3.7352 -3.7352 -3.1844 -3.1844 -3.0470 -3.0470 -1.3002 -1.3002 -1.2177 -1.2177 -1.0532 -1.0532 -1.0396 -1.0396 2.7186 2.7186 5.6679 5.6679 6.3600 6.3600 6.6564 6.6564 7.3970 7.3970 7.4540 7.4540 7.5319 7.5319 7.6814 7.6814 8.2628 8.2628 8.3498 8.3498 8.4750 8.4750 8.5005 8.5005 11.9626 11.9626 13.3862 13.3862 14.0126 14.0126 14.7925 14.7925 14.9408 14.9408 15.6753 15.6753 k = 0.5000 0.2284 0.4128 ( 4502 PWs) bands (ev): -16.5923 -16.5923 -16.5777 -16.5777 -8.6495 -8.6495 -8.6084 -8.6084 -8.3223 -8.3223 -6.9745 -6.9745 -6.5413 -6.5413 -6.4227 -6.4227 -4.8055 -4.8055 -3.8488 -3.8488 -3.7162 -3.7162 -3.1884 -3.1884 -3.0400 -3.0400 -1.3035 -1.3035 -1.2213 -1.2213 -1.0490 -1.0490 -1.0275 -1.0275 2.8185 2.8185 5.5845 5.5845 6.3357 6.3357 6.6170 6.6170 7.4120 7.4120 7.4521 7.4521 7.5355 7.5355 7.6711 7.6711 8.2628 8.2628 8.3349 8.3349 8.4608 8.4608 8.4944 8.4944 11.8962 11.8962 13.3041 13.3041 14.0044 14.0044 14.7675 14.7675 14.9869 14.9869 15.6383 15.6383 k = 0.5000 0.2284 0.3898 ( 4510 PWs) bands (ev): -16.5950 -16.5950 -16.5785 -16.5785 -8.6678 -8.6678 -8.6220 -8.6220 -8.3300 -8.3300 -6.9710 -6.9710 -6.5308 -6.5308 -6.4199 -6.4199 -4.8029 -4.8029 -3.7952 -3.7952 -3.6980 -3.6980 -3.1926 -3.1926 -3.0331 -3.0331 -1.3070 -1.3070 -1.2269 -1.2269 -1.0435 -1.0435 -1.0162 -1.0162 2.9202 2.9202 5.5022 5.5022 6.3107 6.3107 6.5759 6.5759 7.4289 7.4289 7.4507 7.4507 7.5397 7.5397 7.6614 7.6614 8.2627 8.2627 8.3237 8.3237 8.4465 8.4465 8.4891 8.4891 11.8336 11.8336 13.2229 13.2229 13.9946 13.9946 14.7419 14.7419 15.0347 15.0347 15.5996 15.5996 k = 0.5000 0.2284 0.3669 ( 4508 PWs) bands (ev): -16.5976 -16.5976 -16.5792 -16.5792 -8.6852 -8.6852 -8.6358 -8.6358 -8.3362 -8.3362 -6.9674 -6.9674 -6.5210 -6.5210 -6.4174 -6.4174 -4.8004 -4.8004 -3.7432 -3.7432 -3.6802 -3.6802 -3.1971 -3.1971 -3.0265 -3.0265 -1.3107 -1.3107 -1.2342 -1.2342 -1.0369 -1.0369 -1.0057 -1.0057 3.0236 3.0236 5.4218 5.4218 6.2828 6.2828 6.5345 6.5345 7.4452 7.4452 7.4521 7.4521 7.5442 7.5442 7.6523 7.6523 8.2624 8.2624 8.3162 8.3162 8.4322 8.4322 8.4845 8.4845 11.7748 11.7748 13.1434 13.1434 13.9831 13.9831 14.7158 14.7158 15.0832 15.0832 15.5616 15.5616 k = 0.5000 0.2284 0.3440 ( 4510 PWs) bands (ev): -16.6001 -16.6001 -16.5800 -16.5800 -8.7015 -8.7015 -8.6496 -8.6496 -8.3412 -8.3412 -6.9637 -6.9637 -6.5119 -6.5119 -6.4150 -6.4150 -4.7981 -4.7981 -3.6946 -3.6946 -3.6613 -3.6613 -3.2019 -3.2019 -3.0201 -3.0201 -1.3146 -1.3146 -1.2428 -1.2428 -1.0295 -1.0295 -0.9959 -0.9959 3.1286 3.1286 5.3440 5.3440 6.2495 6.2495 6.4952 6.4952 7.4474 7.4474 7.4691 7.4691 7.5490 7.5490 7.6439 7.6439 8.2621 8.2621 8.3123 8.3123 8.4182 8.4182 8.4807 8.4807 11.7199 11.7199 13.0664 13.0664 13.9700 13.9700 14.6891 14.6891 15.1317 15.1317 15.5252 15.5252 k = 0.5000 0.2284 0.3210 ( 4514 PWs) bands (ev): -16.6025 -16.6025 -16.5807 -16.5807 -8.7168 -8.7168 -8.6632 -8.6632 -8.3451 -8.3451 -6.9600 -6.9600 -6.5034 -6.5034 -6.4128 -6.4128 -4.7960 -4.7960 -3.6587 -3.6587 -3.6323 -3.6323 -3.2067 -3.2067 -3.0141 -3.0141 -1.3187 -1.3187 -1.2523 -1.2523 -1.0217 -1.0217 -0.9870 -0.9870 3.2349 3.2349 5.2695 5.2695 6.2080 6.2080 6.4602 6.4602 7.4471 7.4471 7.4901 7.4901 7.5536 7.5536 7.6361 7.6361 8.2622 8.2622 8.3117 8.3117 8.4046 8.4046 8.4777 8.4777 11.6688 11.6688 12.9924 12.9924 13.9554 13.9554 14.6621 14.6621 15.1793 15.1793 15.4909 15.4909 k = 0.5000 0.2284 0.2981 ( 4510 PWs) bands (ev): -16.6047 -16.6047 -16.5814 -16.5814 -8.7310 -8.7310 -8.6764 -8.6764 -8.3482 -8.3482 -6.9563 -6.9563 -6.4956 -6.4956 -6.4107 -6.4107 -4.7940 -4.7940 -3.6398 -3.6398 -3.5892 -3.5892 -3.2116 -3.2116 -3.0083 -3.0083 -1.3228 -1.3228 -1.2624 -1.2624 -1.0137 -1.0137 -0.9788 -0.9788 3.3423 3.3423 5.1986 5.1986 6.1567 6.1567 6.4314 6.4314 7.4469 7.4469 7.5116 7.5116 7.5582 7.5582 7.6290 7.6290 8.2624 8.2624 8.3140 8.3140 8.3914 8.3914 8.4754 8.4754 11.6214 11.6214 12.9219 12.9219 13.9394 13.9394 14.6347 14.6347 15.2254 15.2254 15.4590 15.4590 k = 0.5000 0.2284 0.2752 ( 4510 PWs) bands (ev): -16.6069 -16.6069 -16.5821 -16.5821 -8.7442 -8.7442 -8.6891 -8.6891 -8.3505 -8.3505 -6.9526 -6.9526 -6.4885 -6.4885 -6.4088 -6.4088 -4.7923 -4.7923 -3.6252 -3.6252 -3.5449 -3.5449 -3.2165 -3.2165 -3.0029 -3.0029 -1.3270 -1.3270 -1.2727 -1.2727 -1.0058 -1.0058 -0.9713 -0.9713 3.4505 3.4505 5.1320 5.1320 6.0953 6.0953 6.4088 6.4088 7.4470 7.4470 7.5329 7.5329 7.5630 7.5630 7.6226 7.6226 8.2629 8.2629 8.3190 8.3190 8.3789 8.3789 8.4738 8.4738 11.5777 11.5777 12.8553 12.8553 13.9222 13.9222 14.6072 14.6072 15.2692 15.2692 15.4301 15.4301 k = 0.5000 0.2284 0.2523 ( 4506 PWs) bands (ev): -16.6088 -16.6088 -16.5827 -16.5827 -8.7563 -8.7563 -8.7012 -8.7012 -8.3522 -8.3522 -6.9490 -6.9490 -6.4819 -6.4819 -6.4071 -6.4071 -4.7906 -4.7906 -3.6122 -3.6122 -3.5026 -3.5026 -3.2212 -3.2212 -2.9978 -2.9978 -1.3312 -1.3312 -1.2831 -1.2831 -0.9980 -0.9980 -0.9646 -0.9646 3.5592 3.5592 5.0701 5.0701 6.0251 6.0251 6.3916 6.3916 7.4473 7.4473 7.5515 7.5515 7.5698 7.5698 7.6170 7.6170 8.2633 8.2633 8.3262 8.3262 8.3673 8.3673 8.4731 8.4731 11.5376 11.5376 12.7929 12.7929 13.9042 13.9042 14.5799 14.5799 15.3087 15.3087 15.4055 15.4055 k = 0.5000 0.2284 0.2293 ( 4508 PWs) bands (ev): -16.6107 -16.6107 -16.5833 -16.5833 -8.7674 -8.7674 -8.7125 -8.7125 -8.3534 -8.3534 -6.9455 -6.9455 -6.4760 -6.4760 -6.4055 -6.4055 -4.7892 -4.7892 -3.6002 -3.6002 -3.4629 -3.4629 -3.2257 -3.2257 -2.9931 -2.9931 -1.3353 -1.3353 -1.2932 -1.2932 -0.9905 -0.9905 -0.9587 -0.9587 3.6680 3.6680 5.0134 5.0134 5.9475 5.9475 6.3786 6.3786 7.4477 7.4477 7.5614 7.5614 7.5840 7.5840 7.6123 7.6123 8.2636 8.2636 8.3350 8.3350 8.3567 8.3567 8.4732 8.4732 11.5011 11.5011 12.7350 12.7350 13.8855 13.8855 14.5530 14.5530 15.3372 15.3372 15.3917 15.3917 k = 0.5000 0.2284 0.2064 ( 4504 PWs) bands (ev): -16.6124 -16.6124 -16.5839 -16.5839 -8.7775 -8.7775 -8.7229 -8.7229 -8.3543 -8.3543 -6.9422 -6.9422 -6.4706 -6.4706 -6.4041 -6.4041 -4.7879 -4.7879 -3.5893 -3.5893 -3.4263 -3.4263 -3.2298 -3.2298 -2.9888 -2.9888 -1.3394 -1.3394 -1.3029 -1.3029 -0.9835 -0.9835 -0.9533 -0.9533 3.7764 3.7764 4.9624 4.9624 5.8639 5.8639 6.3686 6.3686 7.4483 7.4483 7.5652 7.5652 7.6004 7.6004 7.6109 7.6109 8.2635 8.2635 8.3439 8.3439 8.3482 8.3482 8.4743 8.4743 11.4682 11.4682 12.6819 12.6819 13.8666 13.8666 14.5268 14.5268 15.3371 15.3371 15.4055 15.4055 k = 0.5000 0.2284 0.1835 ( 4508 PWs) bands (ev): -16.6139 -16.6139 -16.5844 -16.5844 -8.7865 -8.7865 -8.7324 -8.7324 -8.3549 -8.3549 -6.9392 -6.9392 -6.4659 -6.4659 -6.4028 -6.4028 -4.7867 -4.7867 -3.5795 -3.5795 -3.3932 -3.3932 -3.2332 -3.2332 -2.9849 -2.9849 -1.3433 -1.3433 -1.3119 -1.3119 -0.9770 -0.9770 -0.9487 -0.9487 3.8836 3.8836 4.9179 4.9179 5.7754 5.7754 6.3609 6.3609 7.4490 7.4490 7.5670 7.5670 7.6024 7.6024 7.6248 7.6248 8.2629 8.2629 8.3387 8.3387 8.3555 8.3555 8.4762 8.4762 11.4387 11.4387 12.6337 12.6337 13.8480 13.8480 14.5017 14.5017 15.3220 15.3220 15.4331 15.4331 k = 0.5000 0.2284 0.1605 ( 4492 PWs) bands (ev): -16.6153 -16.6153 -16.5848 -16.5848 -8.7944 -8.7944 -8.7409 -8.7409 -8.3552 -8.3552 -6.9364 -6.9364 -6.4617 -6.4617 -6.4017 -6.4017 -4.7857 -4.7857 -3.5706 -3.5706 -3.3642 -3.3642 -3.2356 -3.2356 -2.9814 -2.9814 -1.3471 -1.3471 -1.3202 -1.3202 -0.9711 -0.9711 -0.9446 -0.9446 3.9886 3.9886 4.8808 4.8808 5.6831 5.6831 6.3550 6.3550 7.4498 7.4498 7.5679 7.5679 7.6002 7.6002 7.6425 7.6425 8.2619 8.2619 8.3321 8.3321 8.3654 8.3654 8.4791 8.4791 11.4127 11.4127 12.5908 12.5908 13.8300 13.8300 14.4782 14.4782 15.3057 15.3057 15.4600 15.4600 k = 0.5000 0.2284 0.1376 ( 4488 PWs) bands (ev): -16.6164 -16.6164 -16.5852 -16.5852 -8.8013 -8.8013 -8.7484 -8.7484 -8.3554 -8.3554 -6.9339 -6.9339 -6.4581 -6.4581 -6.4007 -6.4007 -4.7849 -4.7849 -3.5628 -3.5628 -3.3397 -3.3397 -3.2368 -3.2368 -2.9784 -2.9784 -1.3508 -1.3508 -1.3274 -1.3274 -0.9659 -0.9659 -0.9411 -0.9411 4.0899 4.0899 4.8523 4.8523 5.5879 5.5879 6.3503 6.3503 7.4506 7.4506 7.5681 7.5681 7.5983 7.5983 7.6589 7.6589 8.2603 8.2603 8.3271 8.3271 8.3743 8.3743 8.4828 8.4828 11.3902 11.3902 12.5532 12.5532 13.8132 13.8132 14.4567 14.4567 15.2908 15.2908 15.4831 15.4831 k = 0.5000 0.2284 0.1147 ( 4490 PWs) bands (ev): -16.6175 -16.6175 -16.5856 -16.5856 -8.8071 -8.8071 -8.7548 -8.7548 -8.3555 -8.3555 -6.9317 -6.9317 -6.4551 -6.4551 -6.3999 -6.3999 -4.7842 -4.7842 -3.5561 -3.5561 -3.3205 -3.3205 -3.2361 -3.2361 -2.9758 -2.9758 -1.3541 -1.3541 -1.3336 -1.3336 -0.9615 -0.9615 -0.9382 -0.9382 4.1851 4.1851 4.8346 4.8346 5.4906 5.4906 6.3468 6.3468 7.4514 7.4514 7.5679 7.5679 7.5969 7.5969 7.6733 7.6733 8.2583 8.2583 8.3234 8.3234 8.3820 8.3820 8.4871 8.4871 11.3711 11.3711 12.5212 12.5212 13.7980 13.7980 14.4376 14.4376 15.2780 15.2780 15.5015 15.5015 k = 0.5000 0.2284 0.0917 ( 4490 PWs) bands (ev): -16.6183 -16.6183 -16.5858 -16.5858 -8.8119 -8.8119 -8.7600 -8.7600 -8.3555 -8.3555 -6.9298 -6.9298 -6.4526 -6.4526 -6.3993 -6.3993 -4.7836 -4.7836 -3.5506 -3.5506 -3.3067 -3.3067 -3.2334 -3.2334 -2.9737 -2.9737 -1.3571 -1.3571 -1.3386 -1.3386 -0.9578 -0.9578 -0.9359 -0.9359 4.2705 4.2705 4.8307 4.8307 5.3923 5.3923 6.3441 6.3441 7.4521 7.4521 7.5675 7.5675 7.5959 7.5959 7.6855 7.6855 8.2562 8.2562 8.3209 8.3209 8.3881 8.3881 8.4916 8.4916 11.3554 11.3554 12.4948 12.4948 13.7848 13.7848 14.4213 14.4213 15.2673 15.2673 15.5147 15.5147 k = 0.5000 0.2284 0.0688 ( 4490 PWs) bands (ev): -16.6189 -16.6189 -16.5861 -16.5861 -8.8156 -8.8156 -8.7641 -8.7641 -8.3555 -8.3555 -6.9284 -6.9284 -6.4507 -6.4507 -6.3987 -6.3987 -4.7831 -4.7831 -3.5462 -3.5462 -3.2980 -3.2980 -3.2292 -3.2292 -2.9720 -2.9720 -1.3597 -1.3597 -1.3424 -1.3424 -0.9549 -0.9549 -0.9340 -0.9340 4.3414 4.3414 4.8446 4.8446 5.2942 5.2942 6.3421 6.3421 7.4527 7.4527 7.5670 7.5670 7.5952 7.5952 7.6952 7.6952 8.2542 8.2542 8.3193 8.3193 8.3927 8.3927 8.4958 8.4958 11.3432 11.3432 12.4741 12.4741 13.7741 13.7741 14.4082 14.4082 15.2590 15.2590 15.5226 15.5232 k = 0.5000 0.2284 0.0459 ( 4480 PWs) bands (ev): -16.6194 -16.6194 -16.5862 -16.5862 -8.8182 -8.8182 -8.7671 -8.7671 -8.3555 -8.3555 -6.9274 -6.9274 -6.4493 -6.4493 -6.3984 -6.3984 -4.7828 -4.7828 -3.5430 -3.5430 -3.2932 -3.2932 -3.2248 -3.2248 -2.9708 -2.9708 -1.3617 -1.3617 -1.3450 -1.3450 -0.9528 -0.9528 -0.9327 -0.9327 4.3930 4.3930 4.8795 4.8795 5.1981 5.1981 6.3407 6.3407 7.4531 7.4531 7.5665 7.5665 7.5948 7.5948 7.7023 7.7023 8.2525 8.2525 8.3184 8.3184 8.3959 8.3959 8.4992 8.4992 11.3345 11.3345 12.4593 12.4593 13.7663 13.7663 14.3987 14.3987 15.2531 15.2531 15.5190 15.5195 k = 0.5000 0.2284 0.0229 ( 4476 PWs) bands (ev): -16.6197 -16.6197 -16.5863 -16.5863 -8.8198 -8.8198 -8.7689 -8.7689 -8.3555 -8.3555 -6.9267 -6.9267 -6.4485 -6.4485 -6.3981 -6.3981 -4.7826 -4.7826 -3.5411 -3.5411 -3.2909 -3.2909 -3.2215 -3.2215 -2.9701 -2.9701 -1.3630 -1.3630 -1.3466 -1.3466 -0.9516 -0.9516 -0.9320 -0.9320 4.4232 4.4232 4.9339 4.9339 5.1076 5.1076 6.3400 6.3400 7.4534 7.4534 7.5662 7.5662 7.5946 7.5946 7.7066 7.7066 8.2515 8.2515 8.3180 8.3180 8.3977 8.3977 8.5015 8.5015 11.3293 11.3293 12.4504 12.4504 13.7614 13.7614 14.3928 14.3928 15.2495 15.2495 15.5140 15.5149 k = 0.5000 0.2284-0.0000 ( 4476 PWs) bands (ev): -16.6198 -16.6198 -16.5863 -16.5863 -8.8204 -8.8204 -8.7695 -8.7695 -8.3555 -8.3555 -6.9265 -6.9265 -6.4482 -6.4482 -6.3981 -6.3981 -4.7826 -4.7826 -3.5404 -3.5404 -3.2902 -3.2902 -3.2203 -3.2203 -2.9698 -2.9698 -1.3634 -1.3634 -1.3471 -1.3471 -0.9512 -0.9512 -0.9317 -0.9317 4.4330 4.4330 4.9825 4.9825 5.0472 5.0472 6.3397 6.3397 7.4535 7.4535 7.5661 7.5661 7.5945 7.5945 7.7080 7.7080 8.2511 8.2511 8.3179 8.3179 8.3983 8.3983 8.5022 8.5022 11.3275 11.3275 12.4475 12.4475 13.7598 13.7598 14.3909 14.3909 15.2483 15.2483 15.5122 15.5122 k = 0.0000 0.0000 1.2034 ( 4516 PWs) bands (ev): -16.5605 -16.5605 -16.5170 -16.5170 -8.4765 -8.4765 -7.5225 -7.5225 -7.4929 -7.4929 -7.4646 -7.4646 -6.9525 -6.9525 -6.6415 -6.6415 -5.1271 -5.1271 -4.9217 -4.9217 -4.4459 -4.4459 -3.3083 -3.3083 -3.1367 -3.1367 -1.5895 -1.5895 -1.3914 -1.3914 -1.3123 -1.3123 -1.0100 -1.0100 0.9888 0.9888 6.5357 6.5357 7.0624 7.0624 7.5808 7.5808 7.7469 7.7469 7.9689 7.9689 8.0343 8.0343 8.3049 8.3049 8.5729 8.5729 8.7439 8.7439 8.9690 8.9690 9.0507 9.0507 12.8176 12.8176 14.1523 14.1523 14.1789 14.1789 14.6986 14.6986 14.9904 14.9904 15.8091 15.8091 k = 0.0208 0.0095 1.2034 ( 4532 PWs) bands (ev): -16.5605 -16.5605 -16.5170 -16.5170 -8.4765 -8.4765 -7.5225 -7.5225 -7.4929 -7.4929 -7.4646 -7.4646 -6.9526 -6.9526 -6.6415 -6.6415 -5.1271 -5.1271 -4.9217 -4.9217 -4.4458 -4.4458 -3.3085 -3.3085 -3.1367 -3.1367 -1.5889 -1.5889 -1.3933 -1.3933 -1.3104 -1.3104 -1.0110 -1.0110 0.9895 0.9895 6.5282 6.5282 7.0708 7.0708 7.5812 7.5812 7.7457 7.7457 7.9694 7.9694 8.0343 8.0343 8.3070 8.3070 8.5729 8.5729 8.7421 8.7421 8.9677 8.9677 9.0505 9.0505 12.8211 12.8211 14.1301 14.1301 14.1872 14.1872 14.6994 14.6994 15.0057 15.0057 15.8097 15.8097 k = 0.0417 0.0190 1.2034 ( 4526 PWs) bands (ev): -16.5605 -16.5605 -16.5170 -16.5170 -8.4764 -8.4764 -7.5225 -7.5225 -7.4929 -7.4929 -7.4646 -7.4646 -6.9528 -6.9528 -6.6414 -6.6414 -5.1270 -5.1270 -4.9215 -4.9215 -4.4458 -4.4458 -3.3089 -3.3089 -3.1365 -3.1365 -1.5872 -1.5872 -1.3985 -1.3985 -1.3053 -1.3053 -1.0138 -1.0138 0.9916 0.9916 6.5077 6.5077 7.0944 7.0944 7.5823 7.5823 7.7420 7.7420 7.9707 7.9707 8.0343 8.0343 8.3133 8.3133 8.5729 8.5729 8.7368 8.7368 8.9639 8.9639 9.0502 9.0502 12.8316 12.8316 14.0837 14.0837 14.1942 14.1942 14.7017 14.7017 15.0487 15.0487 15.8117 15.8117 k = 0.0625 0.0286 1.2034 ( 4528 PWs) bands (ev): -16.5605 -16.5605 -16.5170 -16.5170 -8.4764 -8.4764 -7.5225 -7.5225 -7.4929 -7.4929 -7.4646 -7.4646 -6.9531 -6.9531 -6.6413 -6.6413 -5.1269 -5.1269 -4.9211 -4.9211 -4.4456 -4.4456 -3.3095 -3.3095 -3.1362 -3.1362 -1.5842 -1.5842 -1.4060 -1.4060 -1.2979 -1.2979 -1.0185 -1.0185 0.9948 0.9948 6.4780 6.4780 7.1289 7.1289 7.5843 7.5843 7.7363 7.7363 7.9729 7.9729 8.0342 8.0342 8.3237 8.3237 8.5729 8.5729 8.7280 8.7280 8.9576 8.9576 9.0496 9.0496 12.8491 12.8491 14.0225 14.0225 14.1969 14.1969 14.7055 14.7055 15.1132 15.1132 15.8150 15.8150 k = 0.0833 0.0381 1.2034 ( 4510 PWs) bands (ev): -16.5605 -16.5605 -16.5170 -16.5170 -8.4763 -8.4763 -7.5225 -7.5225 -7.4930 -7.4930 -7.4645 -7.4645 -6.9535 -6.9535 -6.6411 -6.6411 -5.1268 -5.1268 -4.9207 -4.9207 -4.4455 -4.4455 -3.3103 -3.3103 -3.1359 -3.1359 -1.5802 -1.5802 -1.4151 -1.4151 -1.2891 -1.2891 -1.0247 -1.0247 0.9991 0.9991 6.4433 6.4433 7.1700 7.1700 7.5871 7.5871 7.7289 7.7289 7.9756 7.9756 8.0340 8.0340 8.3377 8.3377 8.5729 8.5729 8.7160 8.7160 8.9492 8.9492 9.0490 9.0490 12.8732 12.8732 13.9513 13.9513 14.1969 14.1969 14.7105 14.7105 15.1929 15.1929 15.8195 15.8195 k = 0.1042 0.0476 1.2034 ( 4514 PWs) bands (ev): -16.5605 -16.5605 -16.5171 -16.5171 -8.4762 -8.4762 -7.5225 -7.5225 -7.4930 -7.4930 -7.4645 -7.4645 -6.9540 -6.9540 -6.6409 -6.6409 -5.1267 -5.1267 -4.9203 -4.9203 -4.4452 -4.4452 -3.3112 -3.3112 -3.1355 -3.1355 -1.5751 -1.5751 -1.4251 -1.4251 -1.2796 -1.2796 -1.0322 -1.0322 1.0040 1.0040 6.4070 6.4070 7.2136 7.2136 7.5907 7.5907 7.7203 7.7203 7.9787 7.9787 8.0336 8.0336 8.3551 8.3551 8.5729 8.5729 8.7008 8.7008 8.9390 8.9390 9.0483 9.0483 12.9038 12.9038 13.8741 13.8741 14.1954 14.1954 14.7163 14.7163 15.2826 15.2826 15.8251 15.8251 k = 0.1250 0.0571 1.2034 ( 4522 PWs) bands (ev): -16.5605 -16.5605 -16.5171 -16.5171 -8.4761 -8.4761 -7.5225 -7.5225 -7.4931 -7.4931 -7.4645 -7.4645 -6.9545 -6.9545 -6.6407 -6.6407 -5.1265 -5.1265 -4.9197 -4.9197 -4.4450 -4.4450 -3.3122 -3.3122 -3.1350 -3.1350 -1.5690 -1.5690 -1.4356 -1.4356 -1.2697 -1.2697 -1.0405 -1.0405 1.0093 1.0093 6.3718 6.3718 7.2568 7.2568 7.5951 7.5951 7.7111 7.7111 7.9820 7.9820 8.0331 8.0331 8.3755 8.3755 8.5729 8.5729 8.6828 8.6828 8.9276 8.9276 9.0478 9.0478 12.9405 12.9405 13.7938 13.7938 14.1932 14.1932 14.7226 14.7226 15.3783 15.3783 15.8315 15.8315 k = 0.1458 0.0666 1.2034 ( 4520 PWs) bands (ev): -16.5605 -16.5605 -16.5171 -16.5171 -8.4760 -8.4760 -7.5226 -7.5226 -7.4931 -7.4931 -7.4645 -7.4645 -6.9550 -6.9550 -6.6405 -6.6405 -5.1264 -5.1264 -4.9192 -4.9192 -4.4448 -4.4448 -3.3132 -3.3132 -3.1346 -3.1346 -1.5622 -1.5622 -1.4464 -1.4464 -1.2599 -1.2599 -1.0494 -1.0494 1.0146 1.0146 6.3396 6.3396 7.2971 7.2971 7.6001 7.6001 7.7016 7.7016 7.9853 7.9853 8.0325 8.0325 8.3984 8.3984 8.5728 8.5728 8.6623 8.6623 8.9159 8.9159 9.0473 9.0473 12.9826 12.9826 13.7128 13.7128 14.1906 14.1906 14.7288 14.7288 15.4770 15.4770 15.8385 15.8385 k = 0.1667 0.0761 1.2034 ( 4516 PWs) bands (ev): -16.5605 -16.5605 -16.5171 -16.5171 -8.4759 -8.4759 -7.5226 -7.5226 -7.4932 -7.4932 -7.4644 -7.4644 -6.9555 -6.9555 -6.6403 -6.6403 -5.1263 -5.1263 -4.9187 -4.9187 -4.4446 -4.4446 -3.3141 -3.3141 -3.1342 -3.1342 -1.5548 -1.5548 -1.4571 -1.4571 -1.2507 -1.2507 -1.0581 -1.0581 1.0195 1.0195 6.3116 6.3116 7.3325 7.3325 7.6057 7.6057 7.6925 7.6925 7.9883 7.9883 8.0319 8.0319 8.4232 8.4232 8.5728 8.5728 8.6397 8.6397 8.9045 8.9045 9.0469 9.0469 13.0295 13.0295 13.6330 13.6330 14.1882 14.1882 14.7346 14.7346 15.5755 15.5755 15.8455 15.8455 k = 0.1875 0.0857 1.2034 ( 4500 PWs) bands (ev): -16.5605 -16.5605 -16.5171 -16.5171 -8.4758 -8.4758 -7.5226 -7.5226 -7.4932 -7.4932 -7.4644 -7.4644 -6.9559 -6.9559 -6.6401 -6.6401 -5.1262 -5.1262 -4.9183 -4.9183 -4.4444 -4.4444 -3.3149 -3.3149 -3.1339 -3.1339 -1.5470 -1.5470 -1.4673 -1.4673 -1.2425 -1.2425 -1.0662 -1.0662 1.0237 1.0237 6.2890 6.2890 7.3614 7.3614 7.6115 7.6115 7.6841 7.6841 7.9909 7.9909 8.0314 8.0314 8.4495 8.4495 8.5726 8.5726 8.6153 8.6153 8.8944 8.8944 9.0466 9.0466 13.0798 13.0798 13.5566 13.5566 14.1860 14.1860 14.7396 14.7396 15.6702 15.6702 15.8520 15.8520 k = 0.2083 0.0952 1.2034 ( 4500 PWs) bands (ev): -16.5605 -16.5605 -16.5171 -16.5171 -8.4758 -8.4758 -7.5226 -7.5226 -7.4932 -7.4932 -7.4644 -7.4644 -6.9562 -6.9562 -6.6400 -6.6400 -5.1261 -5.1261 -4.9180 -4.9180 -4.4443 -4.4443 -3.3155 -3.3155 -3.1336 -3.1336 -1.5396 -1.5396 -1.4766 -1.4766 -1.2359 -1.2359 -1.0727 -1.0727 1.0269 1.0269 6.2723 6.2723 7.3828 7.3828 7.6168 7.6168 7.6771 7.6771 7.9928 7.9928 8.0310 8.0310 8.4769 8.4769 8.5718 8.5718 8.5900 8.5900 8.8865 8.8865 9.0464 9.0464 13.1308 13.1308 13.4866 13.4866 14.1844 14.1844 14.7435 14.7435 15.7547 15.7547 15.8573 15.8573 k = 0.2292 0.1047 1.2034 ( 4516 PWs) bands (ev): -16.5605 -16.5605 -16.5171 -16.5171 -8.4757 -8.4757 -7.5226 -7.5226 -7.4933 -7.4933 -7.4644 -7.4644 -6.9564 -6.9564 -6.6399 -6.6399 -5.1260 -5.1260 -4.9178 -4.9178 -4.4442 -4.4442 -3.3159 -3.3159 -3.1335 -3.1335 -1.5337 -1.5337 -1.4836 -1.4836 -1.2316 -1.2316 -1.0771 -1.0771 1.0289 1.0289 6.2621 6.2621 7.3959 7.3959 7.6208 7.6208 7.6722 7.6722 7.9940 7.9940 8.0308 8.0308 8.5047 8.5047 8.5598 8.5598 8.5750 8.5750 8.8814 8.8814 9.0463 9.0463 13.1755 13.1755 13.4305 13.4305 14.1833 14.1833 14.7458 14.7458 15.8178 15.8178 15.8607 15.8607 k = 0.2500 0.1142 1.2034 ( 4520 PWs) bands (ev): -16.5605 -16.5605 -16.5171 -16.5171 -8.4757 -8.4757 -7.5226 -7.5226 -7.4933 -7.4933 -7.4644 -7.4644 -6.9565 -6.9565 -6.6399 -6.6399 -5.1260 -5.1260 -4.9177 -4.9177 -4.4442 -4.4442 -3.3160 -3.3160 -3.1334 -3.1334 -1.5312 -1.5312 -1.4864 -1.4864 -1.2300 -1.2300 -1.0786 -1.0786 1.0296 1.0296 6.2586 6.2586 7.4003 7.4003 7.6224 7.6224 7.6704 7.6704 7.9944 7.9944 8.0307 8.0307 8.5296 8.5296 8.5361 8.5361 8.5741 8.5741 8.8796 8.8796 9.0462 9.0462 13.1959 13.1959 13.4063 13.4063 14.1830 14.1830 14.7467 14.7467 15.8425 15.8425 15.8616 15.8616 Writing output data file Ba2PbO4.save init_run : 0.42s CPU 0.57s WALL ( 1 calls) electrons : 566.15s CPU 571.94s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.05s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 566.14s CPU 571.92s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.08s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.08s WALL ( 322 calls) cegterg : 539.64s CPU 544.57s WALL ( 956 calls) Called by sum_band: Called by *egterg: h_psi : 341.42s CPU 344.59s WALL ( 17324 calls) s_psi : 15.60s CPU 15.54s WALL ( 17324 calls) g_psi : 0.45s CPU 0.49s WALL ( 16046 calls) cdiaghg : 161.15s CPU 163.15s WALL ( 16368 calls) cegterg:over : 15.39s CPU 15.47s WALL ( 16046 calls) cegterg:upda : 15.66s CPU 15.60s WALL ( 16046 calls) cegterg:last : 6.34s CPU 6.38s WALL ( 1922 calls) cdiaghg:chol : 9.15s CPU 9.39s WALL ( 16368 calls) cdiaghg:inve : 6.45s CPU 6.50s WALL ( 16368 calls) cdiaghg:para : 11.12s CPU 10.94s WALL ( 32736 calls) Called by h_psi: h_psi:vloc : 315.60s CPU 318.57s WALL ( 17324 calls) h_psi:vnl : 25.26s CPU 25.46s WALL ( 17324 calls) add_vuspsi : 13.09s CPU 13.09s WALL ( 17324 calls) General routines calbec : 12.12s CPU 12.32s WALL ( 17324 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 291.03s CPU 293.81s WALL ( 1492524 calls) interpolate : 0.01s CPU 0.00s WALL ( 4 calls) davcio : 0.23s CPU 0.56s WALL ( 644 calls) Parallel routines fft_scatter : 82.02s CPU 83.14s WALL ( 1492547 calls) PWSCF : 9m48.47s CPU 10m 9.92s WALL This run was terminated on: 14:37:12 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=