Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 19:37:47 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: ./BaxZnAsx2.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized file Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D 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 86 56 16 1670 872 140 Max 87 57 17 1671 887 142 Sum 3099 2021 597 60155 31667 5077 bravais-lattice index = 14 lattice parameter (alat) = 13.9607 a.u. unit-cell volume = 777.6725 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 45.0000 Ry charge density cutoff = 276.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.960679 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.844493 celldm(5)= -0.844493 celldm(6)= 0.688987 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.688987 0.724774 0.000000 ) a(3) = ( -0.844493 -0.362387 0.394343 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.950623 1.267931 ) b(2) = ( 0.000000 1.379740 1.267931 ) b(3) = ( 0.000000 0.000000 2.535861 ) 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 As read from file: /users/gautes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1209 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 Zn read from file: /users/gautes/Pseudo/Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 8d14e5a70806ad8c3d477ea097862760 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1201 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) As 5.00 74.92160 As( 1.00) Zn 12.00 65.40900 Zn( 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= 332 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 2) = ( 0.0000000 0.0000000 0.0234802), wk = 0.0030120 k( 3) = ( 0.0000000 0.0000000 0.0469604), wk = 0.0030120 k( 4) = ( 0.0000000 0.0000000 0.0704406), wk = 0.0030120 k( 5) = ( 0.0000000 0.0000000 0.0939208), wk = 0.0030120 k( 6) = ( 0.0000000 0.0000000 0.1174010), wk = 0.0030120 k( 7) = ( 0.0000000 0.0000000 0.1408812), wk = 0.0030120 k( 8) = ( 0.0000000 0.0000000 0.1643614), wk = 0.0030120 k( 9) = ( 0.0000000 0.0000000 0.1878416), wk = 0.0030120 k( 10) = ( 0.0000000 0.0000000 0.2113218), wk = 0.0030120 k( 11) = ( 0.0000000 0.0000000 0.2348020), wk = 0.0030120 k( 12) = ( 0.0000000 0.0000000 0.2582822), wk = 0.0030120 k( 13) = ( 0.0000000 0.0000000 0.2817624), wk = 0.0030120 k( 14) = ( 0.0000000 0.0000000 0.3052426), wk = 0.0030120 k( 15) = ( 0.0000000 0.0000000 0.3287228), wk = 0.0030120 k( 16) = ( 0.0000000 0.0000000 0.3522029), wk = 0.0030120 k( 17) = ( 0.0000000 0.0000000 0.3756831), wk = 0.0030120 k( 18) = ( 0.0000000 0.0000000 0.3991633), wk = 0.0030120 k( 19) = ( 0.0000000 0.0000000 0.4226435), wk = 0.0030120 k( 20) = ( 0.0000000 0.0000000 0.4461237), wk = 0.0030120 k( 21) = ( 0.0000000 0.0000000 0.4696039), wk = 0.0030120 k( 22) = ( 0.0000000 0.0000000 0.4930841), wk = 0.0030120 k( 23) = ( 0.0000000 0.0000000 0.5165643), wk = 0.0030120 k( 24) = ( 0.0000000 0.0000000 0.5400445), wk = 0.0030120 k( 25) = ( 0.0000000 0.0000000 0.5635247), wk = 0.0030120 k( 26) = ( 0.0000000 0.0000000 0.5870049), wk = 0.0030120 k( 27) = ( 0.0000000 0.0000000 0.6104851), wk = 0.0030120 k( 28) = ( 0.0000000 0.0000000 0.6339653), wk = 0.0030120 k( 29) = ( 0.0000000 0.0000000 0.6574455), wk = 0.0030120 k( 30) = ( 0.0000000 0.0000000 0.6809257), wk = 0.0030120 k( 31) = ( 0.0000000 0.0000000 0.7044059), wk = 0.0030120 k( 32) = ( 0.0000000 0.0000000 0.7278861), wk = 0.0030120 k( 33) = ( 0.0000000 0.0000000 0.7513663), wk = 0.0030120 k( 34) = ( 0.0000000 0.0000000 0.7748465), wk = 0.0030120 k( 35) = ( 0.0000000 0.0000000 0.7983267), wk = 0.0030120 k( 36) = ( 0.0000000 0.0000000 0.8218069), wk = 0.0030120 k( 37) = ( 0.0000000 0.0000000 0.8452871), wk = 0.0030120 k( 38) = ( 0.0000000 0.0000000 0.8687673), wk = 0.0030120 k( 39) = ( 0.0000000 0.0000000 0.8922475), wk = 0.0030120 k( 40) = ( 0.0000000 0.0000000 0.9157277), wk = 0.0030120 k( 41) = ( 0.0000000 0.0000000 0.9392079), wk = 0.0030120 k( 42) = ( 0.0000000 0.0000000 0.9626881), wk = 0.0030120 k( 43) = ( 0.0000000 0.0000000 0.9861683), wk = 0.0030120 k( 44) = ( 0.0000000 0.0000000 1.0096484), wk = 0.0030120 k( 45) = ( 0.0000000 0.0000000 1.0331286), wk = 0.0030120 k( 46) = ( 0.0000000 0.0000000 1.0566088), wk = 0.0030120 k( 47) = ( 0.0000000 0.0000000 1.0800890), wk = 0.0030120 k( 48) = ( 0.0000000 0.0000000 1.1035692), wk = 0.0030120 k( 49) = ( 0.0000000 0.0000000 1.1270494), wk = 0.0030120 k( 50) = ( 0.0000000 0.0000000 1.1505296), wk = 0.0030120 k( 51) = ( 0.0000000 0.0000000 1.1740098), wk = 0.0030120 k( 52) = ( 0.0000000 0.0000000 1.1974900), wk = 0.0030120 k( 53) = ( 0.0000000 0.0000000 1.2209702), wk = 0.0030120 k( 54) = ( 0.0000000 0.0000000 1.2444504), wk = 0.0030120 k( 55) = ( 0.0000000 0.0000000 1.2679306), wk = 0.0030120 k( 56) = ( 0.0000000 0.0000000 1.2679306), wk = 0.0030120 k( 57) = ( -0.0092071 0.0214559 1.2679306), wk = 0.0030120 k( 58) = ( -0.0184142 0.0429118 1.2679306), wk = 0.0030120 k( 59) = ( -0.0276213 0.0643677 1.2679306), wk = 0.0030120 k( 60) = ( -0.0368284 0.0858235 1.2679306), wk = 0.0030120 k( 61) = ( -0.0460355 0.1072794 1.2679306), wk = 0.0030120 k( 62) = ( -0.0460355 0.1072794 1.2679306), wk = 0.0030120 k( 63) = ( -0.0525207 0.1223923 1.2514850), wk = 0.0030120 k( 64) = ( -0.0590059 0.1375052 1.2350394), wk = 0.0030120 k( 65) = ( -0.0654911 0.1526181 1.2185939), wk = 0.0030120 k( 66) = ( -0.0719763 0.1677310 1.2021483), wk = 0.0030120 k( 67) = ( -0.0784615 0.1828439 1.1857027), wk = 0.0030120 k( 68) = ( -0.0849467 0.1979567 1.1692571), wk = 0.0030120 k( 69) = ( -0.0914319 0.2130696 1.1528115), wk = 0.0030120 k( 70) = ( -0.0979171 0.2281825 1.1363659), wk = 0.0030120 k( 71) = ( -0.1044024 0.2432954 1.1199203), wk = 0.0030120 k( 72) = ( -0.1108876 0.2584083 1.1034748), wk = 0.0030120 k( 73) = ( -0.1173728 0.2735212 1.0870292), wk = 0.0030120 k( 74) = ( -0.1238580 0.2886341 1.0705836), wk = 0.0030120 k( 75) = ( -0.1303432 0.3037470 1.0541380), wk = 0.0030120 k( 76) = ( -0.1368284 0.3188599 1.0376924), wk = 0.0030120 k( 77) = ( -0.1433136 0.3339727 1.0212468), wk = 0.0030120 k( 78) = ( -0.1497988 0.3490856 1.0048012), wk = 0.0030120 k( 79) = ( -0.1562840 0.3641985 0.9883557), wk = 0.0030120 k( 80) = ( -0.1627692 0.3793114 0.9719101), wk = 0.0030120 k( 81) = ( -0.1692544 0.3944243 0.9554645), wk = 0.0030120 k( 82) = ( -0.1757396 0.4095372 0.9390189), wk = 0.0030120 k( 83) = ( -0.1822248 0.4246501 0.9225733), wk = 0.0030120 k( 84) = ( -0.1887100 0.4397629 0.9061277), wk = 0.0030120 k( 85) = ( -0.1951953 0.4548758 0.8896821), wk = 0.0030120 k( 86) = ( -0.2016805 0.4699887 0.8732366), wk = 0.0030120 k( 87) = ( -0.2081657 0.4851016 0.8567910), wk = 0.0030120 k( 88) = ( -0.2146509 0.5002145 0.8403454), wk = 0.0030120 k( 89) = ( -0.2211361 0.5153274 0.8238998), wk = 0.0030120 k( 90) = ( -0.2276213 0.5304403 0.8074542), wk = 0.0030120 k( 91) = ( -0.2341065 0.5455531 0.7910086), wk = 0.0030120 k( 92) = ( -0.2405917 0.5606660 0.7745630), wk = 0.0030120 k( 93) = ( -0.2470769 0.5757789 0.7581175), wk = 0.0030120 k( 94) = ( -0.2535621 0.5908918 0.7416719), wk = 0.0030120 k( 95) = ( -0.2600473 0.6060047 0.7252263), wk = 0.0030120 k( 96) = ( -0.2665325 0.6211176 0.7087807), wk = 0.0030120 k( 97) = ( -0.2730178 0.6362305 0.6923351), wk = 0.0030120 k( 98) = ( -0.2730178 0.6362305 0.6923351), wk = 0.0030120 k( 99) = ( -0.2665173 0.6210821 0.6758510), wk = 0.0030120 k( 100) = ( -0.2600169 0.6059338 0.6593668), wk = 0.0030120 k( 101) = ( -0.2535165 0.5907854 0.6428826), wk = 0.0030120 k( 102) = ( -0.2470161 0.5756371 0.6263984), wk = 0.0030120 k( 103) = ( -0.2405156 0.5604888 0.6099143), wk = 0.0030120 k( 104) = ( -0.2340152 0.5453404 0.5934301), wk = 0.0030120 k( 105) = ( -0.2275148 0.5301921 0.5769459), wk = 0.0030120 k( 106) = ( -0.2210144 0.5150437 0.5604618), wk = 0.0030120 k( 107) = ( -0.2145139 0.4998954 0.5439776), wk = 0.0030120 k( 108) = ( -0.2080135 0.4847470 0.5274934), wk = 0.0030120 k( 109) = ( -0.2015131 0.4695987 0.5110093), wk = 0.0030120 k( 110) = ( -0.1950127 0.4544503 0.4945251), wk = 0.0030120 k( 111) = ( -0.1885122 0.4393020 0.4780409), wk = 0.0030120 k( 112) = ( -0.1820118 0.4241536 0.4615567), wk = 0.0030120 k( 113) = ( -0.1755114 0.4090053 0.4450726), wk = 0.0030120 k( 114) = ( -0.1690110 0.3938570 0.4285884), wk = 0.0030120 k( 115) = ( -0.1625106 0.3787086 0.4121042), wk = 0.0030120 k( 116) = ( -0.1560101 0.3635603 0.3956201), wk = 0.0030120 k( 117) = ( -0.1495097 0.3484119 0.3791359), wk = 0.0030120 k( 118) = ( -0.1430093 0.3332636 0.3626517), wk = 0.0030120 k( 119) = ( -0.1365089 0.3181152 0.3461675), wk = 0.0030120 k( 120) = ( -0.1300084 0.3029669 0.3296834), wk = 0.0030120 k( 121) = ( -0.1235080 0.2878186 0.3131992), wk = 0.0030120 k( 122) = ( -0.1170076 0.2726702 0.2967151), wk = 0.0030120 k( 123) = ( -0.1105072 0.2575219 0.2802309), wk = 0.0030120 k( 124) = ( -0.1040068 0.2423735 0.2637467), wk = 0.0030120 k( 125) = ( -0.0975063 0.2272252 0.2472625), wk = 0.0030120 k( 126) = ( -0.0910059 0.2120768 0.2307784), wk = 0.0030120 k( 127) = ( -0.0845055 0.1969285 0.2142942), wk = 0.0030120 k( 128) = ( -0.0780051 0.1817801 0.1978100), wk = 0.0030120 k( 129) = ( -0.0715047 0.1666318 0.1813259), wk = 0.0030120 k( 130) = ( -0.0650042 0.1514835 0.1648417), wk = 0.0030120 k( 131) = ( -0.0585038 0.1363351 0.1483575), wk = 0.0030120 k( 132) = ( -0.0520034 0.1211868 0.1318734), wk = 0.0030120 k( 133) = ( -0.0455030 0.1060384 0.1153892), wk = 0.0030120 k( 134) = ( -0.0390025 0.0908901 0.0989050), wk = 0.0030120 k( 135) = ( -0.0325021 0.0757417 0.0824208), wk = 0.0030120 k( 136) = ( -0.0260017 0.0605934 0.0659367), wk = 0.0030120 k( 137) = ( -0.0195013 0.0454450 0.0494525), wk = 0.0030120 k( 138) = ( -0.0130008 0.0302967 0.0329684), wk = 0.0030120 k( 139) = ( -0.0065004 0.0151483 0.0164842), wk = 0.0030120 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 142) = ( 0.0208333 0.0089400 -0.0000000), wk = 0.0030120 k( 143) = ( 0.0416667 0.0178799 -0.0000000), wk = 0.0030120 k( 144) = ( 0.0625000 0.0268199 -0.0000000), wk = 0.0030120 k( 145) = ( 0.0833333 0.0357598 -0.0000000), wk = 0.0030120 k( 146) = ( 0.1041667 0.0446998 -0.0000000), wk = 0.0030120 k( 147) = ( 0.1250000 0.0536397 -0.0000000), wk = 0.0030120 k( 148) = ( 0.1458333 0.0625797 -0.0000000), wk = 0.0030120 k( 149) = ( 0.1666667 0.0715196 -0.0000000), wk = 0.0030120 k( 150) = ( 0.1875000 0.0804596 -0.0000000), wk = 0.0030120 k( 151) = ( 0.2083333 0.0893995 -0.0000000), wk = 0.0030120 k( 152) = ( 0.2291667 0.0983395 -0.0000000), wk = 0.0030120 k( 153) = ( 0.2500000 0.1072794 -0.0000000), wk = 0.0030120 k( 154) = ( 0.2708333 0.1162194 -0.0000000), wk = 0.0030120 k( 155) = ( 0.2916667 0.1251593 -0.0000000), wk = 0.0030120 k( 156) = ( 0.3125000 0.1340993 -0.0000000), wk = 0.0030120 k( 157) = ( 0.3333333 0.1430392 -0.0000000), wk = 0.0030120 k( 158) = ( 0.3541667 0.1519792 -0.0000000), wk = 0.0030120 k( 159) = ( 0.3750000 0.1609191 -0.0000000), wk = 0.0030120 k( 160) = ( 0.3958333 0.1698591 -0.0000000), wk = 0.0030120 k( 161) = ( 0.4166667 0.1787990 -0.0000000), wk = 0.0030120 k( 162) = ( 0.4375000 0.1877390 -0.0000000), wk = 0.0030120 k( 163) = ( 0.4583333 0.1966789 -0.0000000), wk = 0.0030120 k( 164) = ( 0.4791667 0.2056189 -0.0000000), wk = 0.0030120 k( 165) = ( 0.5000000 0.2145588 -0.0000000), wk = 0.0030120 k( 166) = ( 0.5000000 0.2145588 -0.0000000), wk = 0.0030120 k( 167) = ( 0.4935148 0.2296717 0.0164456), wk = 0.0030120 k( 168) = ( 0.4870296 0.2447846 0.0328912), wk = 0.0030120 k( 169) = ( 0.4805444 0.2598975 0.0493368), wk = 0.0030120 k( 170) = ( 0.4740592 0.2750104 0.0657823), wk = 0.0030120 k( 171) = ( 0.4675740 0.2901233 0.0822279), wk = 0.0030120 k( 172) = ( 0.4610888 0.3052362 0.0986735), wk = 0.0030120 k( 173) = ( 0.4546036 0.3203491 0.1151191), wk = 0.0030120 k( 174) = ( 0.4481183 0.3354619 0.1315647), wk = 0.0030120 k( 175) = ( 0.4416331 0.3505748 0.1480103), wk = 0.0030120 k( 176) = ( 0.4351479 0.3656877 0.1644558), wk = 0.0030120 k( 177) = ( 0.4286627 0.3808006 0.1809014), wk = 0.0030120 k( 178) = ( 0.4221775 0.3959135 0.1973470), wk = 0.0030120 k( 179) = ( 0.4156923 0.4110264 0.2137926), wk = 0.0030120 k( 180) = ( 0.4092071 0.4261393 0.2302382), wk = 0.0030120 k( 181) = ( 0.4027219 0.4412522 0.2466838), wk = 0.0030120 k( 182) = ( 0.3962367 0.4563651 0.2631294), wk = 0.0030120 k( 183) = ( 0.3897515 0.4714779 0.2795749), wk = 0.0030120 k( 184) = ( 0.3832663 0.4865908 0.2960205), wk = 0.0030120 k( 185) = ( 0.3767811 0.5017037 0.3124661), wk = 0.0030120 k( 186) = ( 0.3702959 0.5168166 0.3289117), wk = 0.0030120 k( 187) = ( 0.3638107 0.5319295 0.3453573), wk = 0.0030120 k( 188) = ( 0.3573254 0.5470424 0.3618029), wk = 0.0030120 k( 189) = ( 0.3508402 0.5621553 0.3782485), wk = 0.0030120 k( 190) = ( 0.3443550 0.5772681 0.3946940), wk = 0.0030120 k( 191) = ( 0.3378698 0.5923810 0.4111396), wk = 0.0030120 k( 192) = ( 0.3313846 0.6074939 0.4275852), wk = 0.0030120 k( 193) = ( 0.3248994 0.6226068 0.4440308), wk = 0.0030120 k( 194) = ( 0.3184142 0.6377197 0.4604764), wk = 0.0030120 k( 195) = ( 0.3119290 0.6528326 0.4769220), wk = 0.0030120 k( 196) = ( 0.3054438 0.6679455 0.4933676), wk = 0.0030120 k( 197) = ( 0.2989586 0.6830583 0.5098131), wk = 0.0030120 k( 198) = ( 0.2924734 0.6981712 0.5262587), wk = 0.0030120 k( 199) = ( 0.2859882 0.7132841 0.5427043), wk = 0.0030120 k( 200) = ( 0.2795030 0.7283970 0.5591499), wk = 0.0030120 k( 201) = ( 0.2730178 0.7435099 0.5755955), wk = 0.0030120 k( 202) = ( 0.2730178 0.7435099 0.5755955), wk = 0.0030120 k( 203) = ( 0.2520164 0.7393838 0.5800855), wk = 0.0030120 k( 204) = ( 0.2310150 0.7352576 0.5845755), wk = 0.0030120 k( 205) = ( 0.2100136 0.7311315 0.5890654), wk = 0.0030120 k( 206) = ( 0.1890123 0.7270054 0.5935554), wk = 0.0030120 k( 207) = ( 0.1680109 0.7228792 0.5980454), wk = 0.0030120 k( 208) = ( 0.1470096 0.7187531 0.6025354), wk = 0.0030120 k( 209) = ( 0.1260082 0.7146270 0.6070254), wk = 0.0030120 k( 210) = ( 0.1050068 0.7105008 0.6115154), wk = 0.0030120 k( 211) = ( 0.0840055 0.7063747 0.6160054), wk = 0.0030120 k( 212) = ( 0.0630041 0.7022486 0.6204953), wk = 0.0030120 k( 213) = ( 0.0420027 0.6981225 0.6249853), wk = 0.0030120 k( 214) = ( 0.0210014 0.6939963 0.6294753), wk = 0.0030120 k( 215) = ( 0.0000000 0.6898702 0.6339653), wk = 0.0030120 k( 216) = ( 0.0000000 0.6898702 0.6339653), wk = 0.0030120 k( 217) = ( 0.0064103 0.6749320 0.6502208), wk = 0.0030120 k( 218) = ( 0.0128205 0.6599937 0.6664763), wk = 0.0030120 k( 219) = ( 0.0192308 0.6450555 0.6827319), wk = 0.0030120 k( 220) = ( 0.0256410 0.6301173 0.6989874), wk = 0.0030120 k( 221) = ( 0.0320513 0.6151791 0.7152429), wk = 0.0030120 k( 222) = ( 0.0384615 0.6002408 0.7314984), wk = 0.0030120 k( 223) = ( 0.0448718 0.5853026 0.7477539), wk = 0.0030120 k( 224) = ( 0.0512821 0.5703644 0.7640095), wk = 0.0030120 k( 225) = ( 0.0576923 0.5554262 0.7802650), wk = 0.0030120 k( 226) = ( 0.0641026 0.5404880 0.7965205), wk = 0.0030120 k( 227) = ( 0.0705128 0.5255497 0.8127760), wk = 0.0030120 k( 228) = ( 0.0769231 0.5106115 0.8290316), wk = 0.0030120 k( 229) = ( 0.0833333 0.4956733 0.8452871), wk = 0.0030120 k( 230) = ( 0.0897436 0.4807350 0.8615426), wk = 0.0030120 k( 231) = ( 0.0961538 0.4657968 0.8777981), wk = 0.0030120 k( 232) = ( 0.1025641 0.4508586 0.8940536), wk = 0.0030120 k( 233) = ( 0.1089744 0.4359204 0.9103092), wk = 0.0030120 k( 234) = ( 0.1153846 0.4209821 0.9265647), wk = 0.0030120 k( 235) = ( 0.1217949 0.4060439 0.9428202), wk = 0.0030120 k( 236) = ( 0.1282051 0.3911057 0.9590757), wk = 0.0030120 k( 237) = ( 0.1346154 0.3761675 0.9753312), wk = 0.0030120 k( 238) = ( 0.1410256 0.3612292 0.9915868), wk = 0.0030120 k( 239) = ( 0.1474359 0.3462910 1.0078423), wk = 0.0030120 k( 240) = ( 0.1538461 0.3313528 1.0240978), wk = 0.0030120 k( 241) = ( 0.1602564 0.3164146 1.0403533), wk = 0.0030120 k( 242) = ( 0.1666667 0.3014763 1.0566088), wk = 0.0030120 k( 243) = ( 0.1730769 0.2865381 1.0728643), wk = 0.0030120 k( 244) = ( 0.1794872 0.2715999 1.0891199), wk = 0.0030120 k( 245) = ( 0.1858974 0.2566617 1.1053754), wk = 0.0030120 k( 246) = ( 0.1923077 0.2417234 1.1216309), wk = 0.0030120 k( 247) = ( 0.1987180 0.2267852 1.1378864), wk = 0.0030120 k( 248) = ( 0.2051282 0.2118470 1.1541420), wk = 0.0030120 k( 249) = ( 0.2115385 0.1969088 1.1703975), wk = 0.0030120 k( 250) = ( 0.2179487 0.1819705 1.1866530), wk = 0.0030120 k( 251) = ( 0.2243590 0.1670323 1.2029085), wk = 0.0030120 k( 252) = ( 0.2307692 0.1520941 1.2191640), wk = 0.0030120 k( 253) = ( 0.2371795 0.1371559 1.2354196), wk = 0.0030120 k( 254) = ( 0.2435897 0.1222177 1.2516751), wk = 0.0030120 k( 255) = ( 0.2500000 0.1072794 1.2679306), wk = 0.0030120 k( 256) = ( 0.2500000 0.1072794 1.2679306), wk = 0.0030120 k( 257) = ( 0.2692308 0.1155317 1.2589506), wk = 0.0030120 k( 258) = ( 0.2884615 0.1237839 1.2499707), wk = 0.0030120 k( 259) = ( 0.3076923 0.1320362 1.2409907), wk = 0.0030120 k( 260) = ( 0.3269231 0.1402885 1.2320107), wk = 0.0030120 k( 261) = ( 0.3461538 0.1485407 1.2230307), wk = 0.0030120 k( 262) = ( 0.3653846 0.1567930 1.2140508), wk = 0.0030120 k( 263) = ( 0.3846154 0.1650453 1.2050708), wk = 0.0030120 k( 264) = ( 0.4038462 0.1732975 1.1960908), wk = 0.0030120 k( 265) = ( 0.4230769 0.1815498 1.1871109), wk = 0.0030120 k( 266) = ( 0.4423077 0.1898021 1.1781309), wk = 0.0030120 k( 267) = ( 0.4615385 0.1980543 1.1691509), wk = 0.0030120 k( 268) = ( 0.4807692 0.2063066 1.1601710), wk = 0.0030120 k( 269) = ( 0.5000000 0.2145588 1.1511910), wk = 0.0030120 k( 270) = ( 0.5000000 0.2145588 1.1511910), wk = 0.0030120 k( 271) = ( 0.5000000 0.2145588 1.1276973), wk = 0.0030120 k( 272) = ( 0.5000000 0.2145588 1.1042036), wk = 0.0030120 k( 273) = ( 0.5000000 0.2145588 1.0807099), wk = 0.0030120 k( 274) = ( 0.5000000 0.2145588 1.0572162), wk = 0.0030120 k( 275) = ( 0.5000000 0.2145588 1.0337225), wk = 0.0030120 k( 276) = ( 0.5000000 0.2145588 1.0102288), wk = 0.0030120 k( 277) = ( 0.5000000 0.2145588 0.9867351), wk = 0.0030120 k( 278) = ( 0.5000000 0.2145588 0.9632414), wk = 0.0030120 k( 279) = ( 0.5000000 0.2145588 0.9397477), wk = 0.0030120 k( 280) = ( 0.5000000 0.2145588 0.9162540), wk = 0.0030120 k( 281) = ( 0.5000000 0.2145588 0.8927604), wk = 0.0030120 k( 282) = ( 0.5000000 0.2145588 0.8692666), wk = 0.0030120 k( 283) = ( 0.5000000 0.2145588 0.8457730), wk = 0.0030120 k( 284) = ( 0.5000000 0.2145588 0.8222793), wk = 0.0030120 k( 285) = ( 0.5000000 0.2145588 0.7987856), wk = 0.0030120 k( 286) = ( 0.5000000 0.2145588 0.7752919), wk = 0.0030120 k( 287) = ( 0.5000000 0.2145588 0.7517982), wk = 0.0030120 k( 288) = ( 0.5000000 0.2145588 0.7283045), wk = 0.0030120 k( 289) = ( 0.5000000 0.2145588 0.7048108), wk = 0.0030120 k( 290) = ( 0.5000000 0.2145588 0.6813171), wk = 0.0030120 k( 291) = ( 0.5000000 0.2145588 0.6578234), wk = 0.0030120 k( 292) = ( 0.5000000 0.2145588 0.6343297), wk = 0.0030120 k( 293) = ( 0.5000000 0.2145588 0.6108360), wk = 0.0030120 k( 294) = ( 0.5000000 0.2145588 0.5873423), wk = 0.0030120 k( 295) = ( 0.5000000 0.2145588 0.5638486), wk = 0.0030120 k( 296) = ( 0.5000000 0.2145588 0.5403549), wk = 0.0030120 k( 297) = ( 0.5000000 0.2145588 0.5168613), wk = 0.0030120 k( 298) = ( 0.5000000 0.2145588 0.4933676), wk = 0.0030120 k( 299) = ( 0.5000000 0.2145588 0.4698739), wk = 0.0030120 k( 300) = ( 0.5000000 0.2145588 0.4463802), wk = 0.0030120 k( 301) = ( 0.5000000 0.2145588 0.4228865), wk = 0.0030120 k( 302) = ( 0.5000000 0.2145588 0.3993928), wk = 0.0030120 k( 303) = ( 0.5000000 0.2145588 0.3758991), wk = 0.0030120 k( 304) = ( 0.5000000 0.2145588 0.3524054), wk = 0.0030120 k( 305) = ( 0.5000000 0.2145588 0.3289117), wk = 0.0030120 k( 306) = ( 0.5000000 0.2145588 0.3054180), wk = 0.0030120 k( 307) = ( 0.5000000 0.2145588 0.2819243), wk = 0.0030120 k( 308) = ( 0.5000000 0.2145588 0.2584306), wk = 0.0030120 k( 309) = ( 0.5000000 0.2145588 0.2349369), wk = 0.0030120 k( 310) = ( 0.5000000 0.2145588 0.2114433), wk = 0.0030120 k( 311) = ( 0.5000000 0.2145588 0.1879495), wk = 0.0030120 k( 312) = ( 0.5000000 0.2145588 0.1644558), wk = 0.0030120 k( 313) = ( 0.5000000 0.2145588 0.1409622), wk = 0.0030120 k( 314) = ( 0.5000000 0.2145588 0.1174685), wk = 0.0030120 k( 315) = ( 0.5000000 0.2145588 0.0939748), wk = 0.0030120 k( 316) = ( 0.5000000 0.2145588 0.0704811), wk = 0.0030120 k( 317) = ( 0.5000000 0.2145588 0.0469874), wk = 0.0030120 k( 318) = ( 0.5000000 0.2145588 0.0234937), wk = 0.0030120 k( 319) = ( 0.5000000 0.2145588 -0.0000000), wk = 0.0030120 k( 320) = ( 0.0000000 0.0000000 1.2679306), wk = 0.0030120 k( 321) = ( 0.0208333 0.0089400 1.2679306), wk = 0.0030120 k( 322) = ( 0.0416667 0.0178799 1.2679306), wk = 0.0030120 k( 323) = ( 0.0625000 0.0268199 1.2679306), wk = 0.0030120 k( 324) = ( 0.0833333 0.0357598 1.2679306), wk = 0.0030120 k( 325) = ( 0.1041667 0.0446998 1.2679306), wk = 0.0030120 k( 326) = ( 0.1250000 0.0536397 1.2679306), wk = 0.0030120 k( 327) = ( 0.1458333 0.0625797 1.2679306), wk = 0.0030120 k( 328) = ( 0.1666667 0.0715196 1.2679306), wk = 0.0030120 k( 329) = ( 0.1875000 0.0804596 1.2679306), wk = 0.0030120 k( 330) = ( 0.2083333 0.0893995 1.2679306), wk = 0.0030120 k( 331) = ( 0.2291667 0.0983395 1.2679306), wk = 0.0030120 k( 332) = ( 0.2500000 0.1072794 1.2679306), wk = 0.0030120 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 2) = ( 0.0000000 0.0000000 0.0092593), wk = 0.0030120 k( 3) = ( 0.0000000 0.0000000 0.0185185), wk = 0.0030120 k( 4) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0030120 k( 5) = ( 0.0000000 0.0000000 0.0370370), wk = 0.0030120 k( 6) = ( 0.0000000 0.0000000 0.0462963), wk = 0.0030120 k( 7) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0030120 k( 8) = ( 0.0000000 0.0000000 0.0648148), wk = 0.0030120 k( 9) = ( 0.0000000 0.0000000 0.0740741), wk = 0.0030120 k( 10) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0030120 k( 11) = ( 0.0000000 0.0000000 0.0925926), wk = 0.0030120 k( 12) = ( 0.0000000 0.0000000 0.1018518), wk = 0.0030120 k( 13) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0030120 k( 14) = ( 0.0000000 0.0000000 0.1203704), wk = 0.0030120 k( 15) = ( 0.0000000 0.0000000 0.1296296), wk = 0.0030120 k( 16) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0030120 k( 17) = ( 0.0000000 0.0000000 0.1481482), wk = 0.0030120 k( 18) = ( 0.0000000 0.0000000 0.1574074), wk = 0.0030120 k( 19) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0030120 k( 20) = ( 0.0000000 0.0000000 0.1759259), wk = 0.0030120 k( 21) = ( 0.0000000 0.0000000 0.1851852), wk = 0.0030120 k( 22) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0030120 k( 23) = ( 0.0000000 0.0000000 0.2037037), wk = 0.0030120 k( 24) = ( 0.0000000 0.0000000 0.2129630), wk = 0.0030120 k( 25) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0030120 k( 26) = ( 0.0000000 0.0000000 0.2314815), wk = 0.0030120 k( 27) = ( 0.0000000 0.0000000 0.2407407), wk = 0.0030120 k( 28) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0030120 k( 29) = ( 0.0000000 0.0000000 0.2592593), wk = 0.0030120 k( 30) = ( 0.0000000 0.0000000 0.2685185), wk = 0.0030120 k( 31) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0030120 k( 32) = ( 0.0000000 0.0000000 0.2870370), wk = 0.0030120 k( 33) = ( 0.0000000 0.0000000 0.2962963), wk = 0.0030120 k( 34) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0030120 k( 35) = ( 0.0000000 0.0000000 0.3148148), wk = 0.0030120 k( 36) = ( 0.0000000 0.0000000 0.3240741), wk = 0.0030120 k( 37) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0030120 k( 38) = ( 0.0000000 0.0000000 0.3425926), wk = 0.0030120 k( 39) = ( 0.0000000 0.0000000 0.3518519), wk = 0.0030120 k( 40) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0030120 k( 41) = ( 0.0000000 0.0000000 0.3703704), wk = 0.0030120 k( 42) = ( 0.0000000 0.0000000 0.3796296), wk = 0.0030120 k( 43) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0030120 k( 44) = ( 0.0000000 0.0000000 0.3981481), wk = 0.0030120 k( 45) = ( 0.0000000 0.0000000 0.4074074), wk = 0.0030120 k( 46) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0030120 k( 47) = ( 0.0000000 0.0000000 0.4259259), wk = 0.0030120 k( 48) = ( 0.0000000 0.0000000 0.4351852), wk = 0.0030120 k( 49) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0030120 k( 50) = ( 0.0000000 0.0000000 0.4537037), wk = 0.0030120 k( 51) = ( 0.0000000 0.0000000 0.4629630), wk = 0.0030120 k( 52) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0030120 k( 53) = ( 0.0000000 0.0000000 0.4814815), wk = 0.0030120 k( 54) = ( 0.0000000 0.0000000 0.4907407), wk = 0.0030120 k( 55) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030120 k( 56) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030120 k( 57) = ( -0.0092071 0.0092071 0.5000000), wk = 0.0030120 k( 58) = ( -0.0184142 0.0184142 0.5000000), wk = 0.0030120 k( 59) = ( -0.0276213 0.0276213 0.5000000), wk = 0.0030120 k( 60) = ( -0.0368284 0.0368284 0.5000000), wk = 0.0030120 k( 61) = ( -0.0460355 0.0460355 0.5000000), wk = 0.0030120 k( 62) = ( -0.0460355 0.0460355 0.5000000), wk = 0.0030120 k( 63) = ( -0.0525207 0.0525207 0.4935148), wk = 0.0030120 k( 64) = ( -0.0590059 0.0590059 0.4870296), wk = 0.0030120 k( 65) = ( -0.0654911 0.0654911 0.4805444), wk = 0.0030120 k( 66) = ( -0.0719763 0.0719763 0.4740592), wk = 0.0030120 k( 67) = ( -0.0784615 0.0784615 0.4675740), wk = 0.0030120 k( 68) = ( -0.0849467 0.0849467 0.4610888), wk = 0.0030120 k( 69) = ( -0.0914319 0.0914320 0.4546036), wk = 0.0030120 k( 70) = ( -0.0979171 0.0979171 0.4481183), wk = 0.0030120 k( 71) = ( -0.1044024 0.1044024 0.4416331), wk = 0.0030120 k( 72) = ( -0.1108876 0.1108876 0.4351479), wk = 0.0030120 k( 73) = ( -0.1173728 0.1173728 0.4286627), wk = 0.0030120 k( 74) = ( -0.1238580 0.1238580 0.4221775), wk = 0.0030120 k( 75) = ( -0.1303432 0.1303432 0.4156923), wk = 0.0030120 k( 76) = ( -0.1368284 0.1368284 0.4092071), wk = 0.0030120 k( 77) = ( -0.1433136 0.1433136 0.4027219), wk = 0.0030120 k( 78) = ( -0.1497988 0.1497988 0.3962367), wk = 0.0030120 k( 79) = ( -0.1562840 0.1562840 0.3897515), wk = 0.0030120 k( 80) = ( -0.1627692 0.1627692 0.3832663), wk = 0.0030120 k( 81) = ( -0.1692544 0.1692544 0.3767811), wk = 0.0030120 k( 82) = ( -0.1757396 0.1757396 0.3702959), wk = 0.0030120 k( 83) = ( -0.1822248 0.1822249 0.3638107), wk = 0.0030120 k( 84) = ( -0.1887100 0.1887100 0.3573254), wk = 0.0030120 k( 85) = ( -0.1951953 0.1951953 0.3508402), wk = 0.0030120 k( 86) = ( -0.2016805 0.2016805 0.3443550), wk = 0.0030120 k( 87) = ( -0.2081657 0.2081657 0.3378698), wk = 0.0030120 k( 88) = ( -0.2146509 0.2146509 0.3313846), wk = 0.0030120 k( 89) = ( -0.2211361 0.2211361 0.3248994), wk = 0.0030120 k( 90) = ( -0.2276213 0.2276213 0.3184142), wk = 0.0030120 k( 91) = ( -0.2341065 0.2341065 0.3119290), wk = 0.0030120 k( 92) = ( -0.2405917 0.2405917 0.3054438), wk = 0.0030120 k( 93) = ( -0.2470769 0.2470769 0.2989586), wk = 0.0030120 k( 94) = ( -0.2535621 0.2535621 0.2924734), wk = 0.0030120 k( 95) = ( -0.2600473 0.2600473 0.2859882), wk = 0.0030120 k( 96) = ( -0.2665325 0.2665325 0.2795030), wk = 0.0030120 k( 97) = ( -0.2730178 0.2730178 0.2730178), wk = 0.0030120 k( 98) = ( -0.2730178 0.2730178 0.2730178), wk = 0.0030120 k( 99) = ( -0.2665173 0.2665173 0.2665173), wk = 0.0030120 k( 100) = ( -0.2600169 0.2600169 0.2600169), wk = 0.0030120 k( 101) = ( -0.2535165 0.2535165 0.2535165), wk = 0.0030120 k( 102) = ( -0.2470161 0.2470161 0.2470161), wk = 0.0030120 k( 103) = ( -0.2405156 0.2405156 0.2405156), wk = 0.0030120 k( 104) = ( -0.2340152 0.2340152 0.2340152), wk = 0.0030120 k( 105) = ( -0.2275148 0.2275148 0.2275148), wk = 0.0030120 k( 106) = ( -0.2210144 0.2210144 0.2210144), wk = 0.0030120 k( 107) = ( -0.2145139 0.2145139 0.2145139), wk = 0.0030120 k( 108) = ( -0.2080135 0.2080135 0.2080135), wk = 0.0030120 k( 109) = ( -0.2015131 0.2015131 0.2015131), wk = 0.0030120 k( 110) = ( -0.1950127 0.1950127 0.1950127), wk = 0.0030120 k( 111) = ( -0.1885122 0.1885122 0.1885122), wk = 0.0030120 k( 112) = ( -0.1820118 0.1820118 0.1820118), wk = 0.0030120 k( 113) = ( -0.1755114 0.1755114 0.1755114), wk = 0.0030120 k( 114) = ( -0.1690110 0.1690110 0.1690110), wk = 0.0030120 k( 115) = ( -0.1625106 0.1625106 0.1625106), wk = 0.0030120 k( 116) = ( -0.1560101 0.1560101 0.1560101), wk = 0.0030120 k( 117) = ( -0.1495097 0.1495097 0.1495097), wk = 0.0030120 k( 118) = ( -0.1430093 0.1430093 0.1430093), wk = 0.0030120 k( 119) = ( -0.1365089 0.1365089 0.1365089), wk = 0.0030120 k( 120) = ( -0.1300084 0.1300085 0.1300084), wk = 0.0030120 k( 121) = ( -0.1235080 0.1235080 0.1235080), wk = 0.0030120 k( 122) = ( -0.1170076 0.1170076 0.1170076), wk = 0.0030120 k( 123) = ( -0.1105072 0.1105072 0.1105072), wk = 0.0030120 k( 124) = ( -0.1040068 0.1040068 0.1040068), wk = 0.0030120 k( 125) = ( -0.0975063 0.0975063 0.0975063), wk = 0.0030120 k( 126) = ( -0.0910059 0.0910059 0.0910059), wk = 0.0030120 k( 127) = ( -0.0845055 0.0845055 0.0845055), wk = 0.0030120 k( 128) = ( -0.0780051 0.0780051 0.0780051), wk = 0.0030120 k( 129) = ( -0.0715047 0.0715047 0.0715047), wk = 0.0030120 k( 130) = ( -0.0650042 0.0650042 0.0650042), wk = 0.0030120 k( 131) = ( -0.0585038 0.0585038 0.0585038), wk = 0.0030120 k( 132) = ( -0.0520034 0.0520034 0.0520034), wk = 0.0030120 k( 133) = ( -0.0455030 0.0455030 0.0455030), wk = 0.0030120 k( 134) = ( -0.0390025 0.0390025 0.0390025), wk = 0.0030120 k( 135) = ( -0.0325021 0.0325021 0.0325021), wk = 0.0030120 k( 136) = ( -0.0260017 0.0260017 0.0260017), wk = 0.0030120 k( 137) = ( -0.0195013 0.0195013 0.0195013), wk = 0.0030120 k( 138) = ( -0.0130008 0.0130008 0.0130008), wk = 0.0030120 k( 139) = ( -0.0065004 0.0065004 0.0065004), wk = 0.0030120 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 142) = ( 0.0208333 0.0208333 -0.0208333), wk = 0.0030120 k( 143) = ( 0.0416667 0.0416667 -0.0416667), wk = 0.0030120 k( 144) = ( 0.0625000 0.0625000 -0.0625000), wk = 0.0030120 k( 145) = ( 0.0833333 0.0833333 -0.0833333), wk = 0.0030120 k( 146) = ( 0.1041667 0.1041667 -0.1041667), wk = 0.0030120 k( 147) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0030120 k( 148) = ( 0.1458333 0.1458333 -0.1458333), wk = 0.0030120 k( 149) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0030120 k( 150) = ( 0.1875000 0.1875000 -0.1875000), wk = 0.0030120 k( 151) = ( 0.2083333 0.2083333 -0.2083333), wk = 0.0030120 k( 152) = ( 0.2291667 0.2291667 -0.2291667), wk = 0.0030120 k( 153) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0030120 k( 154) = ( 0.2708333 0.2708333 -0.2708333), wk = 0.0030120 k( 155) = ( 0.2916667 0.2916667 -0.2916667), wk = 0.0030120 k( 156) = ( 0.3125000 0.3125000 -0.3125000), wk = 0.0030120 k( 157) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0030120 k( 158) = ( 0.3541667 0.3541667 -0.3541667), wk = 0.0030120 k( 159) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0030120 k( 160) = ( 0.3958333 0.3958333 -0.3958333), wk = 0.0030120 k( 161) = ( 0.4166667 0.4166667 -0.4166667), wk = 0.0030120 k( 162) = ( 0.4375000 0.4375000 -0.4375000), wk = 0.0030120 k( 163) = ( 0.4583333 0.4583333 -0.4583333), wk = 0.0030120 k( 164) = ( 0.4791667 0.4791667 -0.4791667), wk = 0.0030120 k( 165) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0030120 k( 166) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0030120 k( 167) = ( 0.4935148 0.5064852 -0.4935148), wk = 0.0030120 k( 168) = ( 0.4870296 0.5129704 -0.4870296), wk = 0.0030120 k( 169) = ( 0.4805444 0.5194556 -0.4805444), wk = 0.0030120 k( 170) = ( 0.4740592 0.5259408 -0.4740592), wk = 0.0030120 k( 171) = ( 0.4675740 0.5324260 -0.4675740), wk = 0.0030120 k( 172) = ( 0.4610888 0.5389112 -0.4610888), wk = 0.0030120 k( 173) = ( 0.4546036 0.5453964 -0.4546035), wk = 0.0030120 k( 174) = ( 0.4481183 0.5518817 -0.4481183), wk = 0.0030120 k( 175) = ( 0.4416331 0.5583669 -0.4416331), wk = 0.0030120 k( 176) = ( 0.4351479 0.5648521 -0.4351479), wk = 0.0030120 k( 177) = ( 0.4286627 0.5713373 -0.4286627), wk = 0.0030120 k( 178) = ( 0.4221775 0.5778225 -0.4221775), wk = 0.0030120 k( 179) = ( 0.4156923 0.5843077 -0.4156923), wk = 0.0030120 k( 180) = ( 0.4092071 0.5907929 -0.4092071), wk = 0.0030120 k( 181) = ( 0.4027219 0.5972781 -0.4027219), wk = 0.0030120 k( 182) = ( 0.3962367 0.6037633 -0.3962367), wk = 0.0030120 k( 183) = ( 0.3897515 0.6102485 -0.3897515), wk = 0.0030120 k( 184) = ( 0.3832663 0.6167337 -0.3832663), wk = 0.0030120 k( 185) = ( 0.3767811 0.6232189 -0.3767811), wk = 0.0030120 k( 186) = ( 0.3702959 0.6297041 -0.3702959), wk = 0.0030120 k( 187) = ( 0.3638107 0.6361893 -0.3638107), wk = 0.0030120 k( 188) = ( 0.3573254 0.6426746 -0.3573254), wk = 0.0030120 k( 189) = ( 0.3508402 0.6491598 -0.3508402), wk = 0.0030120 k( 190) = ( 0.3443550 0.6556450 -0.3443550), wk = 0.0030120 k( 191) = ( 0.3378698 0.6621302 -0.3378698), wk = 0.0030120 k( 192) = ( 0.3313846 0.6686154 -0.3313846), wk = 0.0030120 k( 193) = ( 0.3248994 0.6751006 -0.3248994), wk = 0.0030120 k( 194) = ( 0.3184142 0.6815858 -0.3184142), wk = 0.0030120 k( 195) = ( 0.3119290 0.6880710 -0.3119290), wk = 0.0030120 k( 196) = ( 0.3054438 0.6945562 -0.3054438), wk = 0.0030120 k( 197) = ( 0.2989586 0.7010414 -0.2989586), wk = 0.0030120 k( 198) = ( 0.2924734 0.7075266 -0.2924734), wk = 0.0030120 k( 199) = ( 0.2859882 0.7140118 -0.2859882), wk = 0.0030120 k( 200) = ( 0.2795030 0.7204970 -0.2795030), wk = 0.0030120 k( 201) = ( 0.2730178 0.7269823 -0.2730178), wk = 0.0030120 k( 202) = ( 0.2730178 0.7269823 -0.2730178), wk = 0.0030120 k( 203) = ( 0.2520164 0.7095221 -0.2520164), wk = 0.0030120 k( 204) = ( 0.2310150 0.6920619 -0.2310150), wk = 0.0030120 k( 205) = ( 0.2100136 0.6746017 -0.2100136), wk = 0.0030120 k( 206) = ( 0.1890123 0.6571416 -0.1890123), wk = 0.0030120 k( 207) = ( 0.1680109 0.6396814 -0.1680109), wk = 0.0030120 k( 208) = ( 0.1470096 0.6222212 -0.1470096), wk = 0.0030120 k( 209) = ( 0.1260082 0.6047610 -0.1260082), wk = 0.0030120 k( 210) = ( 0.1050068 0.5873009 -0.1050068), wk = 0.0030120 k( 211) = ( 0.0840055 0.5698407 -0.0840055), wk = 0.0030120 k( 212) = ( 0.0630041 0.5523805 -0.0630041), wk = 0.0030120 k( 213) = ( 0.0420027 0.5349204 -0.0420027), wk = 0.0030120 k( 214) = ( 0.0210014 0.5174602 -0.0210014), wk = 0.0030120 k( 215) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0030120 k( 216) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0030120 k( 217) = ( 0.0064103 0.4935897 0.0064103), wk = 0.0030120 k( 218) = ( 0.0128205 0.4871795 0.0128205), wk = 0.0030120 k( 219) = ( 0.0192308 0.4807692 0.0192308), wk = 0.0030120 k( 220) = ( 0.0256410 0.4743590 0.0256410), wk = 0.0030120 k( 221) = ( 0.0320513 0.4679487 0.0320513), wk = 0.0030120 k( 222) = ( 0.0384615 0.4615385 0.0384615), wk = 0.0030120 k( 223) = ( 0.0448718 0.4551282 0.0448718), wk = 0.0030120 k( 224) = ( 0.0512821 0.4487179 0.0512821), wk = 0.0030120 k( 225) = ( 0.0576923 0.4423077 0.0576923), wk = 0.0030120 k( 226) = ( 0.0641026 0.4358974 0.0641026), wk = 0.0030120 k( 227) = ( 0.0705128 0.4294872 0.0705128), wk = 0.0030120 k( 228) = ( 0.0769231 0.4230769 0.0769231), wk = 0.0030120 k( 229) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0030120 k( 230) = ( 0.0897436 0.4102564 0.0897436), wk = 0.0030120 k( 231) = ( 0.0961538 0.4038462 0.0961538), wk = 0.0030120 k( 232) = ( 0.1025641 0.3974359 0.1025641), wk = 0.0030120 k( 233) = ( 0.1089744 0.3910256 0.1089744), wk = 0.0030120 k( 234) = ( 0.1153846 0.3846154 0.1153846), wk = 0.0030120 k( 235) = ( 0.1217949 0.3782051 0.1217949), wk = 0.0030120 k( 236) = ( 0.1282051 0.3717949 0.1282051), wk = 0.0030120 k( 237) = ( 0.1346154 0.3653846 0.1346154), wk = 0.0030120 k( 238) = ( 0.1410256 0.3589744 0.1410256), wk = 0.0030120 k( 239) = ( 0.1474359 0.3525641 0.1474359), wk = 0.0030120 k( 240) = ( 0.1538461 0.3461538 0.1538462), wk = 0.0030120 k( 241) = ( 0.1602564 0.3397436 0.1602564), wk = 0.0030120 k( 242) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0030120 k( 243) = ( 0.1730769 0.3269231 0.1730769), wk = 0.0030120 k( 244) = ( 0.1794872 0.3205128 0.1794872), wk = 0.0030120 k( 245) = ( 0.1858974 0.3141026 0.1858974), wk = 0.0030120 k( 246) = ( 0.1923077 0.3076923 0.1923077), wk = 0.0030120 k( 247) = ( 0.1987180 0.3012821 0.1987180), wk = 0.0030120 k( 248) = ( 0.2051282 0.2948718 0.2051282), wk = 0.0030120 k( 249) = ( 0.2115385 0.2884615 0.2115385), wk = 0.0030120 k( 250) = ( 0.2179487 0.2820513 0.2179487), wk = 0.0030120 k( 251) = ( 0.2243590 0.2756410 0.2243590), wk = 0.0030120 k( 252) = ( 0.2307692 0.2692308 0.2307692), wk = 0.0030120 k( 253) = ( 0.2371795 0.2628205 0.2371795), wk = 0.0030120 k( 254) = ( 0.2435897 0.2564103 0.2435897), wk = 0.0030120 k( 255) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030120 k( 256) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030120 k( 257) = ( 0.2692308 0.2692308 0.2272280), wk = 0.0030120 k( 258) = ( 0.2884615 0.2884615 0.2044561), wk = 0.0030120 k( 259) = ( 0.3076923 0.3076923 0.1816841), wk = 0.0030120 k( 260) = ( 0.3269231 0.3269231 0.1589122), wk = 0.0030120 k( 261) = ( 0.3461538 0.3461538 0.1361402), wk = 0.0030120 k( 262) = ( 0.3653846 0.3653846 0.1133682), wk = 0.0030120 k( 263) = ( 0.3846154 0.3846154 0.0905963), wk = 0.0030120 k( 264) = ( 0.4038462 0.4038462 0.0678243), wk = 0.0030120 k( 265) = ( 0.4230769 0.4230769 0.0450523), wk = 0.0030120 k( 266) = ( 0.4423077 0.4423077 0.0222804), wk = 0.0030120 k( 267) = ( 0.4615385 0.4615385 -0.0004916), wk = 0.0030120 k( 268) = ( 0.4807692 0.4807692 -0.0232635), wk = 0.0030120 k( 269) = ( 0.5000000 0.5000000 -0.0460355), wk = 0.0030120 k( 270) = ( 0.5000000 0.5000000 -0.0460355), wk = 0.0030120 k( 271) = ( 0.5000000 0.5000000 -0.0553001), wk = 0.0030120 k( 272) = ( 0.5000000 0.5000000 -0.0645647), wk = 0.0030120 k( 273) = ( 0.5000000 0.5000000 -0.0738292), wk = 0.0030120 k( 274) = ( 0.5000000 0.5000000 -0.0830938), wk = 0.0030120 k( 275) = ( 0.5000000 0.5000000 -0.0923584), wk = 0.0030120 k( 276) = ( 0.5000000 0.5000000 -0.1016230), wk = 0.0030120 k( 277) = ( 0.5000000 0.5000000 -0.1108876), wk = 0.0030120 k( 278) = ( 0.5000000 0.5000000 -0.1201521), wk = 0.0030120 k( 279) = ( 0.5000000 0.5000000 -0.1294167), wk = 0.0030120 k( 280) = ( 0.5000000 0.5000000 -0.1386813), wk = 0.0030120 k( 281) = ( 0.5000000 0.5000000 -0.1479459), wk = 0.0030120 k( 282) = ( 0.5000000 0.5000000 -0.1572105), wk = 0.0030120 k( 283) = ( 0.5000000 0.5000000 -0.1664751), wk = 0.0030120 k( 284) = ( 0.5000000 0.5000000 -0.1757396), wk = 0.0030120 k( 285) = ( 0.5000000 0.5000000 -0.1850042), wk = 0.0030120 k( 286) = ( 0.5000000 0.5000000 -0.1942688), wk = 0.0030120 k( 287) = ( 0.5000000 0.5000000 -0.2035334), wk = 0.0030120 k( 288) = ( 0.5000000 0.5000000 -0.2127980), wk = 0.0030120 k( 289) = ( 0.5000000 0.5000000 -0.2220625), wk = 0.0030120 k( 290) = ( 0.5000000 0.5000000 -0.2313271), wk = 0.0030120 k( 291) = ( 0.5000000 0.5000000 -0.2405917), wk = 0.0030120 k( 292) = ( 0.5000000 0.5000000 -0.2498563), wk = 0.0030120 k( 293) = ( 0.5000000 0.5000000 -0.2591209), wk = 0.0030120 k( 294) = ( 0.5000000 0.5000000 -0.2683855), wk = 0.0030120 k( 295) = ( 0.5000000 0.5000000 -0.2776500), wk = 0.0030120 k( 296) = ( 0.5000000 0.5000000 -0.2869146), wk = 0.0030120 k( 297) = ( 0.5000000 0.5000000 -0.2961792), wk = 0.0030120 k( 298) = ( 0.5000000 0.5000000 -0.3054438), wk = 0.0030120 k( 299) = ( 0.5000000 0.5000000 -0.3147084), wk = 0.0030120 k( 300) = ( 0.5000000 0.5000000 -0.3239729), wk = 0.0030120 k( 301) = ( 0.5000000 0.5000000 -0.3332375), wk = 0.0030120 k( 302) = ( 0.5000000 0.5000000 -0.3425021), wk = 0.0030120 k( 303) = ( 0.5000000 0.5000000 -0.3517667), wk = 0.0030120 k( 304) = ( 0.5000000 0.5000000 -0.3610313), wk = 0.0030120 k( 305) = ( 0.5000000 0.5000000 -0.3702959), wk = 0.0030120 k( 306) = ( 0.5000000 0.5000000 -0.3795604), wk = 0.0030120 k( 307) = ( 0.5000000 0.5000000 -0.3888250), wk = 0.0030120 k( 308) = ( 0.5000000 0.5000000 -0.3980896), wk = 0.0030120 k( 309) = ( 0.5000000 0.5000000 -0.4073542), wk = 0.0030120 k( 310) = ( 0.5000000 0.5000000 -0.4166188), wk = 0.0030120 k( 311) = ( 0.5000000 0.5000000 -0.4258833), wk = 0.0030120 k( 312) = ( 0.5000000 0.5000000 -0.4351479), wk = 0.0030120 k( 313) = ( 0.5000000 0.5000000 -0.4444125), wk = 0.0030120 k( 314) = ( 0.5000000 0.5000000 -0.4536771), wk = 0.0030120 k( 315) = ( 0.5000000 0.5000000 -0.4629417), wk = 0.0030120 k( 316) = ( 0.5000000 0.5000000 -0.4722062), wk = 0.0030120 k( 317) = ( 0.5000000 0.5000000 -0.4814708), wk = 0.0030120 k( 318) = ( 0.5000000 0.5000000 -0.4907354), wk = 0.0030120 k( 319) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0030120 k( 320) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030120 k( 321) = ( 0.0208333 0.0208333 0.4791667), wk = 0.0030120 k( 322) = ( 0.0416667 0.0416667 0.4583333), wk = 0.0030120 k( 323) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0030120 k( 324) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0030120 k( 325) = ( 0.1041667 0.1041667 0.3958333), wk = 0.0030120 k( 326) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0030120 k( 327) = ( 0.1458333 0.1458333 0.3541667), wk = 0.0030120 k( 328) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0030120 k( 329) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0030120 k( 330) = ( 0.2083333 0.2083333 0.2916667), wk = 0.0030120 k( 331) = ( 0.2291667 0.2291667 0.2708333), wk = 0.0030120 k( 332) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030120 Dense grid: 60155 G-vectors FFT dimensions: ( 75, 75, 75) Smooth grid: 31667 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.19 Mb ( 240, 52) NL pseudopotentials 0.24 Mb ( 120, 131) Each V/rho on FFT grid 0.26 Mb ( 16875) Each G-vector array 0.01 Mb ( 1671) G-vector shells 0.01 Mb ( 773) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.76 Mb ( 240, 208) Each subspace H/S matrix 0.04 Mb ( 52, 52) Each matrix 0.21 Mb ( 131, 2, 52) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./BaxZnAsx2.save/charge-density.dat Starting wfc are 62 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.3 secs Computing kpt #: 2 total cpu time spent up to now is 4.0 secs Computing kpt #: 3 total cpu time spent up to now is 4.6 secs Computing kpt #: 4 total cpu time spent up to now is 5.2 secs Computing kpt #: 5 total cpu time spent up to now is 5.8 secs Computing kpt #: 6 total cpu time spent up to now is 6.4 secs Computing kpt #: 7 total cpu time spent up to now is 7.0 secs Computing kpt #: 8 total cpu time spent up to now is 7.6 secs Computing kpt #: 9 total cpu time spent up to now is 8.2 secs Computing kpt #: 10 total cpu time spent up to now is 8.8 secs Computing kpt #: 11 total cpu time spent up to now is 9.4 secs Computing kpt #: 12 total cpu time spent up to now is 10.1 secs Computing kpt #: 13 total cpu time spent up to now is 10.7 secs Computing kpt #: 14 total cpu time spent up to now is 11.3 secs Computing kpt #: 15 total cpu time spent up to now is 12.0 secs Computing kpt #: 16 total cpu time spent up to now is 12.7 secs Computing kpt #: 17 total cpu time spent up to now is 13.3 secs Computing kpt #: 18 total cpu time spent up to now is 14.0 secs Computing kpt #: 19 total cpu time spent up to now is 14.7 secs Computing kpt #: 20 total cpu time spent up to now is 16.9 secs Computing kpt #: 21 total cpu time spent up to now is 17.6 secs Computing kpt #: 22 total cpu time spent up to now is 18.3 secs Computing kpt #: 23 total cpu time spent up to now is 18.9 secs Computing kpt #: 24 total cpu time spent up to now is 19.6 secs Computing kpt #: 25 total cpu time spent up to now is 20.2 secs Computing kpt #: 26 total cpu time spent up to now is 20.9 secs Computing kpt #: 27 total cpu time spent up to now is 21.6 secs Computing kpt #: 28 total cpu time spent up to now is 22.2 secs Computing kpt #: 29 total cpu time spent up to now is 22.8 secs Computing kpt #: 30 total cpu time spent up to now is 23.4 secs Computing kpt #: 31 total cpu time spent up to now is 24.0 secs Computing kpt #: 32 total cpu time spent up to now is 24.6 secs Computing kpt #: 33 total cpu time spent up to now is 25.2 secs Computing kpt #: 34 total cpu time spent up to now is 25.8 secs Computing kpt #: 35 total cpu time spent up to now is 26.4 secs Computing kpt #: 36 total cpu time spent up to now is 27.0 secs Computing kpt #: 37 total cpu time spent up to now is 27.6 secs Computing kpt #: 38 total cpu time spent up to now is 28.1 secs Computing kpt #: 39 total cpu time spent up to now is 28.7 secs Computing kpt #: 40 total cpu time spent up to now is 29.3 secs Computing kpt #: 41 total cpu time spent up to now is 29.9 secs Computing kpt #: 42 total cpu time spent up to now is 30.5 secs Computing kpt #: 43 total cpu time spent up to now is 31.0 secs Computing kpt #: 44 total cpu time spent up to now is 31.6 secs Computing kpt #: 45 total cpu time spent up to now is 32.2 secs Computing kpt #: 46 total cpu time spent up to now is 32.8 secs Computing kpt #: 47 total cpu time spent up to now is 33.3 secs Computing kpt #: 48 total cpu time spent up to now is 33.9 secs Computing kpt #: 49 total cpu time spent up to now is 34.5 secs Computing kpt #: 50 total cpu time spent up to now is 35.0 secs Computing kpt #: 51 total cpu time spent up to now is 35.6 secs Computing kpt #: 52 total cpu time spent up to now is 36.2 secs Computing kpt #: 53 total cpu time spent up to now is 36.7 secs Computing kpt #: 54 total cpu time spent up to now is 37.3 secs Computing kpt #: 55 total cpu time spent up to now is 37.8 secs Computing kpt #: 56 total cpu time spent up to now is 38.4 secs Computing kpt #: 57 total cpu time spent up to now is 38.9 secs Computing kpt #: 58 total cpu time spent up to now is 39.5 secs Computing kpt #: 59 total cpu time spent up to now is 40.1 secs Computing kpt #: 60 total cpu time spent up to now is 40.7 secs Computing kpt #: 61 total cpu time spent up to now is 41.2 secs Computing kpt #: 62 total cpu time spent up to now is 41.8 secs Computing kpt #: 63 total cpu time spent up to now is 42.4 secs Computing kpt #: 64 total cpu time spent up to now is 43.0 secs Computing kpt #: 65 total cpu time spent up to now is 43.6 secs Computing kpt #: 66 total cpu time spent up to now is 44.1 secs Computing kpt #: 67 total cpu time spent up to now is 44.7 secs Computing kpt #: 68 total cpu time spent up to now is 45.3 secs Computing kpt #: 69 total cpu time spent up to now is 45.9 secs Computing kpt #: 70 total cpu time spent up to now is 46.5 secs Computing kpt #: 71 total cpu time spent up to now is 47.2 secs Computing kpt #: 72 total cpu time spent up to now is 47.8 secs Computing kpt #: 73 total cpu time spent up to now is 48.4 secs Computing kpt #: 74 total cpu time spent up to now is 49.0 secs Computing kpt #: 75 total cpu time spent up to now is 49.6 secs Computing kpt #: 76 total cpu time spent up to now is 50.2 secs Computing kpt #: 77 total cpu time spent up to now is 50.8 secs Computing kpt #: 78 total cpu time spent up to now is 51.4 secs Computing kpt #: 79 total cpu time spent up to now is 52.0 secs Computing kpt #: 80 total cpu time spent up to now is 52.7 secs Computing kpt #: 81 total cpu time spent up to now is 53.3 secs Computing kpt #: 82 total cpu time spent up to now is 54.0 secs Computing kpt #: 83 total cpu time spent up to now is 54.6 secs Computing kpt #: 84 total cpu time spent up to now is 55.3 secs Computing kpt #: 85 total cpu time spent up to now is 55.9 secs Computing kpt #: 86 total cpu time spent up to now is 56.5 secs Computing kpt #: 87 total cpu time spent up to now is 57.2 secs Computing kpt #: 88 total cpu time spent up to now is 57.8 secs Computing kpt #: 89 total cpu time spent up to now is 58.5 secs Computing kpt #: 90 total cpu time spent up to now is 59.2 secs Computing kpt #: 91 total cpu time spent up to now is 59.8 secs Computing kpt #: 92 total cpu time spent up to now is 60.5 secs Computing kpt #: 93 total cpu time spent up to now is 61.2 secs Computing kpt #: 94 total cpu time spent up to now is 61.9 secs Computing kpt #: 95 total cpu time spent up to now is 62.5 secs Computing kpt #: 96 total cpu time spent up to now is 63.2 secs Computing kpt #: 97 total cpu time spent up to now is 63.8 secs Computing kpt #: 98 total cpu time spent up to now is 64.5 secs Computing kpt #: 99 total cpu time spent up to now is 65.1 secs Computing kpt #: 100 total cpu time spent up to now is 65.8 secs Computing kpt #: 101 total cpu time spent up to now is 66.5 secs Computing kpt #: 102 total cpu time spent up to now is 67.1 secs Computing kpt #: 103 total cpu time spent up to now is 67.8 secs Computing kpt #: 104 total cpu time spent up to now is 68.6 secs Computing kpt #: 105 total cpu time spent up to now is 69.4 secs Computing kpt #: 106 total cpu time spent up to now is 70.1 secs Computing kpt #: 107 total cpu time spent up to now is 70.9 secs Computing kpt #: 108 total cpu time spent up to now is 71.7 secs Computing kpt #: 109 total cpu time spent up to now is 72.5 secs Computing kpt #: 110 total cpu time spent up to now is 73.3 secs Computing kpt #: 111 total cpu time spent up to now is 74.1 secs Computing kpt #: 112 total cpu time spent up to now is 74.9 secs Computing kpt #: 113 total cpu time spent up to now is 75.8 secs Computing kpt #: 114 total cpu time spent up to now is 76.6 secs Computing kpt #: 115 total cpu time spent up to now is 77.4 secs Computing kpt #: 116 total cpu time spent up to now is 78.1 secs Computing kpt #: 117 total cpu time spent up to now is 78.8 secs Computing kpt #: 118 total cpu time spent up to now is 79.6 secs Computing kpt #: 119 total cpu time spent up to now is 80.5 secs Computing kpt #: 120 total cpu time spent up to now is 81.1 secs Computing kpt #: 121 total cpu time spent up to now is 81.8 secs Computing kpt #: 122 total cpu time spent up to now is 82.5 secs Computing kpt #: 123 total cpu time spent up to now is 83.2 secs Computing kpt #: 124 total cpu time spent up to now is 83.9 secs Computing kpt #: 125 total cpu time spent up to now is 84.5 secs Computing kpt #: 126 total cpu time spent up to now is 85.2 secs Computing kpt #: 127 total cpu time spent up to now is 85.8 secs Computing kpt #: 128 total cpu time spent up to now is 86.4 secs Computing kpt #: 129 total cpu time spent up to now is 87.1 secs Computing kpt #: 130 total cpu time spent up to now is 87.7 secs Computing kpt #: 131 total cpu time spent up to now is 88.3 secs Computing kpt #: 132 total cpu time spent up to now is 88.9 secs Computing kpt #: 133 total cpu time spent up to now is 89.5 secs Computing kpt #: 134 total cpu time spent up to now is 90.1 secs Computing kpt #: 135 total cpu time spent up to now is 90.7 secs Computing kpt #: 136 total cpu time spent up to now is 91.3 secs Computing kpt #: 137 total cpu time spent up to now is 91.9 secs Computing kpt #: 138 total cpu time spent up to now is 92.5 secs Computing kpt #: 139 total cpu time spent up to now is 93.1 secs Computing kpt #: 140 total cpu time spent up to now is 93.6 secs Computing kpt #: 141 total cpu time spent up to now is 94.2 secs Computing kpt #: 142 total cpu time spent up to now is 94.8 secs Computing kpt #: 143 total cpu time spent up to now is 95.4 secs Computing kpt #: 144 total cpu time spent up to now is 96.0 secs Computing kpt #: 145 total cpu time spent up to now is 96.6 secs Computing kpt #: 146 total cpu time spent up to now is 97.2 secs Computing kpt #: 147 total cpu time spent up to now is 97.8 secs Computing kpt #: 148 total cpu time spent up to now is 98.4 secs Computing kpt #: 149 total cpu time spent up to now is 98.9 secs Computing kpt #: 150 total cpu time spent up to now is 99.5 secs Computing kpt #: 151 total cpu time spent up to now is 100.1 secs Computing kpt #: 152 total cpu time spent up to now is 100.7 secs Computing kpt #: 153 total cpu time spent up to now is 101.4 secs Computing kpt #: 154 total cpu time spent up to now is 102.0 secs Computing kpt #: 155 total cpu time spent up to now is 102.6 secs Computing kpt #: 156 total cpu time spent up to now is 103.2 secs Computing kpt #: 157 total cpu time spent up to now is 103.8 secs Computing kpt #: 158 total cpu time spent up to now is 104.4 secs Computing kpt #: 159 total cpu time spent up to now is 105.0 secs Computing kpt #: 160 total cpu time spent up to now is 105.7 secs Computing kpt #: 161 total cpu time spent up to now is 106.3 secs Computing kpt #: 162 total cpu time spent up to now is 106.9 secs Computing kpt #: 163 total cpu time spent up to now is 107.6 secs Computing kpt #: 164 total cpu time spent up to now is 108.2 secs Computing kpt #: 165 total cpu time spent up to now is 109.0 secs Computing kpt #: 166 total cpu time spent up to now is 109.7 secs Computing kpt #: 167 total cpu time spent up to now is 110.4 secs Computing kpt #: 168 total cpu time spent up to now is 111.1 secs Computing kpt #: 169 total cpu time spent up to now is 111.7 secs Computing kpt #: 170 total cpu time spent up to now is 112.4 secs Computing kpt #: 171 total cpu time spent up to now is 113.0 secs Computing kpt #: 172 total cpu time spent up to now is 113.6 secs Computing kpt #: 173 total cpu time spent up to now is 114.3 secs Computing kpt #: 174 total cpu time spent up to now is 114.9 secs Computing kpt #: 175 total cpu time spent up to now is 115.6 secs Computing kpt #: 176 total cpu time spent up to now is 116.2 secs Computing kpt #: 177 total cpu time spent up to now is 116.8 secs Computing kpt #: 178 total cpu time spent up to now is 117.4 secs Computing kpt #: 179 total cpu time spent up to now is 118.1 secs Computing kpt #: 180 total cpu time spent up to now is 118.7 secs Computing kpt #: 181 total cpu time spent up to now is 119.3 secs Computing kpt #: 182 total cpu time spent up to now is 120.0 secs Computing kpt #: 183 total cpu time spent up to now is 120.6 secs Computing kpt #: 184 total cpu time spent up to now is 121.2 secs Computing kpt #: 185 total cpu time spent up to now is 121.8 secs Computing kpt #: 186 total cpu time spent up to now is 122.5 secs Computing kpt #: 187 total cpu time spent up to now is 123.2 secs Computing kpt #: 188 total cpu time spent up to now is 123.8 secs Computing kpt #: 189 total cpu time spent up to now is 124.4 secs Computing kpt #: 190 total cpu time spent up to now is 125.0 secs Computing kpt #: 191 total cpu time spent up to now is 125.6 secs Computing kpt #: 192 total cpu time spent up to now is 126.2 secs Computing kpt #: 193 total cpu time spent up to now is 126.8 secs Computing kpt #: 194 total cpu time spent up to now is 127.4 secs Computing kpt #: 195 total cpu time spent up to now is 128.1 secs Computing kpt #: 196 total cpu time spent up to now is 128.7 secs Computing kpt #: 197 total cpu time spent up to now is 129.3 secs Computing kpt #: 198 total cpu time spent up to now is 129.9 secs Computing kpt #: 199 total cpu time spent up to now is 130.6 secs Computing kpt #: 200 total cpu time spent up to now is 131.2 secs Computing kpt #: 201 total cpu time spent up to now is 131.9 secs Computing kpt #: 202 total cpu time spent up to now is 132.5 secs Computing kpt #: 203 total cpu time spent up to now is 133.2 secs Computing kpt #: 204 total cpu time spent up to now is 133.9 secs Computing kpt #: 205 total cpu time spent up to now is 134.5 secs Computing kpt #: 206 total cpu time spent up to now is 135.2 secs Computing kpt #: 207 total cpu time spent up to now is 135.9 secs Computing kpt #: 208 total cpu time spent up to now is 136.6 secs Computing kpt #: 209 total cpu time spent up to now is 137.2 secs Computing kpt #: 210 total cpu time spent up to now is 137.9 secs Computing kpt #: 211 total cpu time spent up to now is 138.6 secs Computing kpt #: 212 total cpu time spent up to now is 139.2 secs Computing kpt #: 213 total cpu time spent up to now is 139.9 secs Computing kpt #: 214 total cpu time spent up to now is 140.6 secs Computing kpt #: 215 total cpu time spent up to now is 141.3 secs Computing kpt #: 216 total cpu time spent up to now is 141.9 secs Computing kpt #: 217 total cpu time spent up to now is 142.6 secs Computing kpt #: 218 total cpu time spent up to now is 143.2 secs Computing kpt #: 219 total cpu time spent up to now is 143.9 secs Computing kpt #: 220 total cpu time spent up to now is 144.5 secs Computing kpt #: 221 total cpu time spent up to now is 145.2 secs Computing kpt #: 222 total cpu time spent up to now is 145.8 secs Computing kpt #: 223 total cpu time spent up to now is 146.5 secs Computing kpt #: 224 total cpu time spent up to now is 147.1 secs Computing kpt #: 225 total cpu time spent up to now is 147.8 secs Computing kpt #: 226 total cpu time spent up to now is 148.5 secs Computing kpt #: 227 total cpu time spent up to now is 149.2 secs Computing kpt #: 228 total cpu time spent up to now is 149.8 secs Computing kpt #: 229 total cpu time spent up to now is 153.4 secs Computing kpt #: 230 total cpu time spent up to now is 154.0 secs Computing kpt #: 231 total cpu time spent up to now is 154.6 secs Computing kpt #: 232 total cpu time spent up to now is 155.2 secs Computing kpt #: 233 total cpu time spent up to now is 155.8 secs Computing kpt #: 234 total cpu time spent up to now is 156.4 secs Computing kpt #: 235 total cpu time spent up to now is 157.0 secs Computing kpt #: 236 total cpu time spent up to now is 157.6 secs Computing kpt #: 237 total cpu time spent up to now is 158.2 secs Computing kpt #: 238 total cpu time spent up to now is 158.8 secs Computing kpt #: 239 total cpu time spent up to now is 159.4 secs Computing kpt #: 240 total cpu time spent up to now is 160.0 secs Computing kpt #: 241 total cpu time spent up to now is 160.6 secs Computing kpt #: 242 total cpu time spent up to now is 161.2 secs Computing kpt #: 243 total cpu time spent up to now is 161.8 secs Computing kpt #: 244 total cpu time spent up to now is 162.4 secs Computing kpt #: 245 total cpu time spent up to now is 163.0 secs Computing kpt #: 246 total cpu time spent up to now is 163.6 secs Computing kpt #: 247 total cpu time spent up to now is 164.2 secs Computing kpt #: 248 total cpu time spent up to now is 164.8 secs Computing kpt #: 249 total cpu time spent up to now is 165.3 secs Computing kpt #: 250 total cpu time spent up to now is 165.9 secs Computing kpt #: 251 total cpu time spent up to now is 166.5 secs Computing kpt #: 252 total cpu time spent up to now is 167.1 secs Computing kpt #: 253 total cpu time spent up to now is 167.6 secs Computing kpt #: 254 total cpu time spent up to now is 168.2 secs Computing kpt #: 255 total cpu time spent up to now is 168.7 secs Computing kpt #: 256 total cpu time spent up to now is 169.3 secs Computing kpt #: 257 total cpu time spent up to now is 169.8 secs Computing kpt #: 258 total cpu time spent up to now is 170.4 secs Computing kpt #: 259 total cpu time spent up to now is 171.0 secs Computing kpt #: 260 total cpu time spent up to now is 171.5 secs Computing kpt #: 261 total cpu time spent up to now is 172.1 secs Computing kpt #: 262 total cpu time spent up to now is 172.6 secs Computing kpt #: 263 total cpu time spent up to now is 173.2 secs Computing kpt #: 264 total cpu time spent up to now is 173.8 secs Computing kpt #: 265 total cpu time spent up to now is 174.4 secs Computing kpt #: 266 total cpu time spent up to now is 175.0 secs Computing kpt #: 267 total cpu time spent up to now is 175.5 secs Computing kpt #: 268 total cpu time spent up to now is 176.1 secs Computing kpt #: 269 total cpu time spent up to now is 176.7 secs Computing kpt #: 270 total cpu time spent up to now is 177.3 secs Computing kpt #: 271 total cpu time spent up to now is 177.9 secs Computing kpt #: 272 total cpu time spent up to now is 178.5 secs Computing kpt #: 273 total cpu time spent up to now is 179.1 secs Computing kpt #: 274 total cpu time spent up to now is 179.6 secs Computing kpt #: 275 total cpu time spent up to now is 180.2 secs Computing kpt #: 276 total cpu time spent up to now is 180.8 secs Computing kpt #: 277 total cpu time spent up to now is 181.4 secs Computing kpt #: 278 total cpu time spent up to now is 182.0 secs Computing kpt #: 279 total cpu time spent up to now is 182.6 secs Computing kpt #: 280 total cpu time spent up to now is 183.3 secs Computing kpt #: 281 total cpu time spent up to now is 183.9 secs Computing kpt #: 282 total cpu time spent up to now is 184.5 secs Computing kpt #: 283 total cpu time spent up to now is 185.1 secs Computing kpt #: 284 total cpu time spent up to now is 185.8 secs Computing kpt #: 285 total cpu time spent up to now is 186.4 secs Computing kpt #: 286 total cpu time spent up to now is 187.0 secs Computing kpt #: 287 total cpu time spent up to now is 187.7 secs Computing kpt #: 288 total cpu time spent up to now is 188.4 secs Computing kpt #: 289 total cpu time spent up to now is 189.1 secs Computing kpt #: 290 total cpu time spent up to now is 189.7 secs Computing kpt #: 291 total cpu time spent up to now is 190.4 secs Computing kpt #: 292 total cpu time spent up to now is 191.0 secs Computing kpt #: 293 total cpu time spent up to now is 191.7 secs Computing kpt #: 294 total cpu time spent up to now is 192.3 secs Computing kpt #: 295 total cpu time spent up to now is 193.0 secs Computing kpt #: 296 total cpu time spent up to now is 193.6 secs Computing kpt #: 297 total cpu time spent up to now is 194.2 secs Computing kpt #: 298 total cpu time spent up to now is 194.9 secs Computing kpt #: 299 total cpu time spent up to now is 195.5 secs Computing kpt #: 300 total cpu time spent up to now is 196.1 secs Computing kpt #: 301 total cpu time spent up to now is 196.7 secs Computing kpt #: 302 total cpu time spent up to now is 197.4 secs Computing kpt #: 303 total cpu time spent up to now is 198.0 secs Computing kpt #: 304 total cpu time spent up to now is 198.7 secs Computing kpt #: 305 total cpu time spent up to now is 199.4 secs Computing kpt #: 306 total cpu time spent up to now is 200.1 secs Computing kpt #: 307 total cpu time spent up to now is 200.8 secs Computing kpt #: 308 total cpu time spent up to now is 201.4 secs Computing kpt #: 309 total cpu time spent up to now is 202.1 secs Computing kpt #: 310 total cpu time spent up to now is 202.7 secs Computing kpt #: 311 total cpu time spent up to now is 203.4 secs Computing kpt #: 312 total cpu time spent up to now is 204.0 secs Computing kpt #: 313 total cpu time spent up to now is 204.7 secs Computing kpt #: 314 total cpu time spent up to now is 205.3 secs Computing kpt #: 315 total cpu time spent up to now is 205.9 secs Computing kpt #: 316 total cpu time spent up to now is 206.6 secs Computing kpt #: 317 total cpu time spent up to now is 207.2 secs Computing kpt #: 318 total cpu time spent up to now is 207.9 secs Computing kpt #: 319 total cpu time spent up to now is 208.6 secs Computing kpt #: 320 total cpu time spent up to now is 209.1 secs Computing kpt #: 321 total cpu time spent up to now is 209.7 secs Computing kpt #: 322 total cpu time spent up to now is 210.3 secs Computing kpt #: 323 total cpu time spent up to now is 210.9 secs Computing kpt #: 324 total cpu time spent up to now is 211.4 secs Computing kpt #: 325 total cpu time spent up to now is 212.0 secs Computing kpt #: 326 total cpu time spent up to now is 212.6 secs Computing kpt #: 327 total cpu time spent up to now is 213.1 secs Computing kpt #: 328 total cpu time spent up to now is 213.7 secs Computing kpt #: 329 total cpu time spent up to now is 214.3 secs Computing kpt #: 330 total cpu time spent up to now is 214.8 secs Computing kpt #: 331 total cpu time spent up to now is 215.4 secs Computing kpt #: 332 total cpu time spent up to now is 215.9 secs ethr = 2.27E-08, avg # of iterations = 16.3 total cpu time spent up to now is 215.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3951 PWs) bands (ev): -19.3247 -19.3247 -5.9019 -5.9019 -4.0646 -4.0646 -3.7217 -3.7217 -3.0109 -3.0109 -1.3920 -1.3920 1.3186 1.3186 1.3469 1.3469 1.3801 1.3801 1.4823 1.4823 1.6966 1.6966 1.8369 1.8369 1.9044 1.9044 1.9723 1.9723 2.0869 2.0869 2.2572 2.2572 3.8481 3.8481 6.5208 6.5208 6.6005 6.6005 8.6612 8.6612 8.9406 8.9406 9.1878 9.1878 9.2864 9.2864 9.6864 9.6864 10.2471 10.2471 11.1695 11.1695 k = 0.0000 0.0000 0.0235 ( 3947 PWs) bands (ev): -19.3246 -19.3246 -5.9020 -5.9020 -4.0648 -4.0648 -3.7229 -3.7229 -3.0088 -3.0088 -1.3924 -1.3924 1.3188 1.3188 1.3473 1.3473 1.3803 1.3803 1.4823 1.4823 1.6963 1.6963 1.8373 1.8373 1.9046 1.9046 1.9722 1.9722 2.0868 2.0868 2.2567 2.2567 3.8491 3.8491 6.5169 6.5169 6.5967 6.5967 8.6507 8.6507 8.9235 8.9235 9.1820 9.1820 9.3057 9.3057 9.6955 9.6955 10.2606 10.2606 11.1727 11.1727 k = 0.0000 0.0000 0.0470 ( 3945 PWs) bands (ev): -19.3244 -19.3244 -5.9025 -5.9025 -4.0651 -4.0651 -3.7266 -3.7266 -3.0026 -3.0026 -1.3935 -1.3935 1.3192 1.3192 1.3483 1.3483 1.3807 1.3807 1.4823 1.4823 1.6955 1.6955 1.8385 1.8385 1.9051 1.9051 1.9719 1.9719 2.0865 2.0865 2.2551 2.2551 3.8522 3.8522 6.5041 6.5041 6.5861 6.5861 8.6207 8.6207 8.8779 8.8779 9.1688 9.1688 9.3537 9.3537 9.7227 9.7227 10.2995 10.2995 11.1824 11.1824 k = 0.0000 0.0000 0.0704 ( 3957 PWs) bands (ev): -19.3240 -19.3240 -5.9034 -5.9034 -4.0656 -4.0656 -3.7327 -3.7327 -2.9924 -2.9924 -1.3953 -1.3953 1.3198 1.3198 1.3501 1.3501 1.3815 1.3815 1.4823 1.4823 1.6943 1.6943 1.8404 1.8404 1.9060 1.9060 1.9714 1.9714 2.0860 2.0860 2.2525 2.2525 3.8573 3.8573 6.4806 6.4806 6.5718 6.5718 8.5743 8.5743 8.8138 8.8138 9.1516 9.1516 9.4182 9.4182 9.7671 9.7671 10.3595 10.3595 11.1985 11.1985 k = 0.0000 0.0000 0.0939 ( 3957 PWs) bands (ev): -19.3236 -19.3236 -5.9045 -5.9045 -4.0664 -4.0664 -3.7408 -3.7408 -2.9784 -2.9784 -1.3979 -1.3979 1.3205 1.3205 1.3527 1.3527 1.3826 1.3826 1.4824 1.4824 1.6927 1.6927 1.8429 1.8429 1.9073 1.9073 1.9707 1.9707 2.0854 2.0854 2.2489 2.2489 3.8642 3.8642 6.4447 6.4447 6.5561 6.5561 8.5153 8.5153 8.7384 8.7384 9.1316 9.1316 9.4923 9.4923 9.8276 9.8276 10.4352 10.4352 11.2211 11.2211 k = 0.0000 0.0000 0.1174 ( 3965 PWs) bands (ev): -19.3230 -19.3230 -5.9060 -5.9060 -4.0673 -4.0673 -3.7507 -3.7507 -2.9609 -2.9609 -1.4011 -1.4011 1.3212 1.3212 1.3561 1.3561 1.3840 1.3840 1.4825 1.4825 1.6909 1.6909 1.8457 1.8457 1.9090 1.9090 1.9698 1.9698 2.0846 2.0846 2.2443 2.2443 3.8730 3.8730 6.3970 6.3970 6.5400 6.5400 8.4467 8.4467 8.6564 8.6564 9.1094 9.1094 9.5729 9.5729 9.9028 9.9028 10.5217 10.5217 11.2502 11.2502 k = 0.0000 0.0000 0.1409 ( 3965 PWs) bands (ev): -19.3222 -19.3222 -5.9078 -5.9078 -4.0684 -4.0684 -3.7622 -3.7622 -2.9402 -2.9402 -1.4050 -1.4050 1.3219 1.3219 1.3603 1.3603 1.3857 1.3857 1.4827 1.4827 1.6891 1.6891 1.8489 1.8489 1.9110 1.9110 1.9688 1.9688 2.0837 2.0837 2.2387 2.2387 3.8835 3.8835 6.3395 6.3395 6.5230 6.5230 8.3705 8.3705 8.5715 8.5715 9.0853 9.0853 9.6581 9.6581 9.9909 9.9909 10.6147 10.6147 11.2859 11.2859 k = 0.0000 0.0000 0.1644 ( 3961 PWs) bands (ev): -19.3214 -19.3214 -5.9099 -5.9099 -4.0696 -4.0696 -3.7750 -3.7750 -2.9166 -2.9166 -1.4095 -1.4095 1.3226 1.3226 1.3653 1.3653 1.3877 1.3877 1.4831 1.4831 1.6872 1.6872 1.8522 1.8522 1.9134 1.9134 1.9675 1.9675 2.0827 2.0827 2.2322 2.2322 3.8955 3.8955 6.2740 6.2740 6.5046 6.5046 8.2882 8.2882 8.4863 8.4863 9.0596 9.0596 9.7469 9.7469 10.0903 10.0903 10.7107 10.7107 11.3280 11.3280 k = 0.0000 0.0000 0.1878 ( 3961 PWs) bands (ev): -19.3204 -19.3204 -5.9124 -5.9124 -4.0710 -4.0710 -3.7888 -3.7888 -2.8905 -2.8905 -1.4145 -1.4145 1.3230 1.3230 1.3711 1.3711 1.3899 1.3899 1.4837 1.4837 1.6856 1.6856 1.8555 1.8555 1.9162 1.9162 1.9661 1.9661 2.0816 2.0816 2.2246 2.2246 3.9088 3.9088 6.2024 6.2024 6.4844 6.4844 8.2011 8.2011 8.4026 8.4026 9.0326 9.0326 9.8386 9.8386 10.1993 10.1993 10.8068 10.8068 11.3765 11.3765 k = 0.0000 0.0000 0.2113 ( 3957 PWs) bands (ev): -19.3193 -19.3193 -5.9151 -5.9151 -4.0725 -4.0725 -3.8033 -3.8033 -2.8621 -2.8621 -1.4201 -1.4201 1.3233 1.3233 1.3776 1.3776 1.3925 1.3925 1.4846 1.4846 1.6842 1.6842 1.8586 1.8586 1.9192 1.9192 1.9645 1.9645 2.0805 2.0805 2.2162 2.2162 3.9231 3.9231 6.1262 6.1262 6.4623 6.4623 8.1105 8.1105 8.3212 8.3212 9.0048 9.0048 9.9328 9.9328 10.3161 10.3161 10.9006 10.9006 11.4311 11.4311 k = 0.0000 0.0000 0.2348 ( 3955 PWs) bands (ev): -19.3181 -19.3181 -5.9182 -5.9182 -4.0741 -4.0741 -3.8183 -3.8183 -2.8317 -2.8317 -1.4261 -1.4261 1.3234 1.3234 1.3846 1.3846 1.3953 1.3953 1.4858 1.4858 1.6831 1.6831 1.8616 1.8616 1.9224 1.9224 1.9628 1.9628 2.0794 2.0794 2.2069 2.2069 3.9383 3.9383 6.0465 6.0465 6.4382 6.4382 8.0179 8.0179 8.2424 8.2424 8.9765 8.9765 10.0291 10.0291 10.4390 10.4390 10.9899 10.9899 11.4915 11.4915 k = 0.0000 0.0000 0.2583 ( 3951 PWs) bands (ev): -19.3167 -19.3167 -5.9215 -5.9215 -4.0758 -4.0758 -3.8336 -3.8336 -2.7995 -2.7995 -1.4325 -1.4325 1.3232 1.3232 1.3921 1.3921 1.3984 1.3984 1.4874 1.4874 1.6825 1.6825 1.8643 1.8643 1.9256 1.9256 1.9610 1.9610 2.0784 2.0784 2.1968 2.1968 3.9540 3.9540 5.9644 5.9644 6.4121 6.4121 7.9250 7.9250 8.1659 8.1659 8.9480 8.9480 10.1273 10.1273 10.5660 10.5660 11.0725 11.0725 11.5572 11.5572 k = 0.0000 0.0000 0.2818 ( 3955 PWs) bands (ev): -19.3153 -19.3153 -5.9251 -5.9251 -4.0775 -4.0775 -3.8490 -3.8490 -2.7658 -2.7658 -1.4392 -1.4392 1.3228 1.3228 1.3999 1.3999 1.4017 1.4017 1.4894 1.4894 1.6824 1.6824 1.8668 1.8668 1.9286 1.9286 1.9591 1.9591 2.0775 2.0775 2.1859 2.1859 3.9698 3.9698 5.8808 5.8808 6.3841 6.3841 7.8330 7.8330 8.0915 8.0915 8.9197 8.9197 10.2272 10.2272 10.6952 10.6952 11.1463 11.1463 11.6275 11.6275 k = 0.0000 0.0000 0.3052 ( 3963 PWs) bands (ev): -19.3137 -19.3137 -5.9289 -5.9289 -4.0793 -4.0793 -3.8644 -3.8644 -2.7307 -2.7307 -1.4462 -1.4462 1.3222 1.3222 1.4052 1.4052 1.4080 1.4080 1.4920 1.4920 1.6828 1.6828 1.8690 1.8690 1.9314 1.9314 1.9572 1.9572 2.0767 2.0767 2.1744 2.1744 3.9855 3.9855 5.7964 5.7964 6.3542 6.3542 7.7432 7.7432 8.0189 8.0189 8.8919 8.8919 10.3287 10.3287 10.8240 10.8240 11.2091 11.2091 11.7011 11.7011 k = 0.0000 0.0000 0.3287 ( 3964 PWs) bands (ev): -19.3121 -19.3121 -5.9331 -5.9331 -4.0812 -4.0812 -3.8795 -3.8795 -2.6945 -2.6945 -1.4533 -1.4533 1.3213 1.3213 1.4090 1.4090 1.4160 1.4160 1.4953 1.4953 1.6839 1.6839 1.8709 1.8709 1.9335 1.9335 1.9554 1.9554 2.0761 2.0761 2.1622 2.1622 4.0007 4.0007 5.7118 5.7118 6.3225 6.3225 7.6564 7.6564 7.9479 7.9479 8.8648 8.8648 10.4316 10.4316 10.9495 10.9495 11.2584 11.2584 11.7760 11.7760 k = 0.0000 0.0000 0.3522 ( 3966 PWs) bands (ev): -19.3104 -19.3104 -5.9374 -5.9374 -4.0831 -4.0831 -3.8944 -3.8944 -2.6573 -2.6573 -1.4606 -1.4606 1.3202 1.3202 1.4131 1.4131 1.4238 1.4238 1.4994 1.4994 1.6856 1.6856 1.8727 1.8727 1.9348 1.9348 1.9539 1.9539 2.0758 2.0758 2.1496 2.1496 4.0148 4.0148 5.6277 5.6277 6.2892 6.2892 7.5734 7.5734 7.8783 7.8783 8.8385 8.8385 10.5358 10.5358 11.0679 11.0679 11.2920 11.2920 11.8457 11.8457 k = 0.0000 0.0000 0.3757 ( 3970 PWs) bands (ev): -19.3085 -19.3085 -5.9420 -5.9420 -4.0852 -4.0852 -3.9087 -3.9087 -2.6193 -2.6193 -1.4680 -1.4680 1.3188 1.3188 1.4174 1.4174 1.4313 1.4313 1.5042 1.5042 1.6880 1.6880 1.8742 1.8742 1.9349 1.9349 1.9528 1.9528 2.0758 2.0758 2.1366 2.1366 4.0277 4.0277 5.5443 5.5443 6.2544 6.2544 7.4950 7.4950 7.8100 7.8100 8.8131 8.8131 10.6411 10.6411 11.1745 11.1745 11.3087 11.3087 11.8950 11.8950 k = 0.0000 0.0000 0.3992 ( 3980 PWs) bands (ev): -19.3067 -19.3067 -5.9467 -5.9467 -4.0875 -4.0875 -3.9225 -3.9225 -2.5807 -2.5807 -1.4753 -1.4753 1.3173 1.3173 1.4219 1.4219 1.4384 1.4384 1.5098 1.5098 1.6910 1.6910 1.8754 1.8754 1.9337 1.9337 1.9521 1.9521 2.0759 2.0759 2.1236 2.1236 4.0388 4.0388 5.4621 5.4621 6.2183 6.2183 7.4215 7.4215 7.7430 7.7430 8.7886 8.7886 10.7474 10.7474 11.2618 11.2618 11.3108 11.3108 11.9305 11.9305 k = 0.0000 0.0000 0.4226 ( 3978 PWs) bands (ev): -19.3047 -19.3047 -5.9516 -5.9516 -4.0900 -4.0900 -3.9355 -3.9355 -2.5415 -2.5415 -1.4825 -1.4825 1.3155 1.3155 1.4266 1.4266 1.4448 1.4448 1.5164 1.5164 1.6948 1.6948 1.8765 1.8765 1.9314 1.9314 1.9517 1.9517 2.0761 2.0761 2.1110 2.1110 4.0478 4.0478 5.3813 5.3813 6.1811 6.1811 7.3535 7.3535 7.6771 7.6771 8.7647 8.7647 10.8544 10.8544 11.2825 11.2825 11.3433 11.3433 11.9665 11.9665 k = 0.0000 0.0000 0.4461 ( 3978 PWs) bands (ev): -19.3027 -19.3027 -5.9567 -5.9567 -4.0928 -4.0928 -3.9477 -3.9477 -2.5019 -2.5019 -1.4895 -1.4895 1.3136 1.3136 1.4315 1.4315 1.4507 1.4507 1.5237 1.5237 1.6993 1.6993 1.8773 1.8773 1.9280 1.9280 1.9512 1.9512 2.0755 2.0755 2.0995 2.0995 4.0545 4.0545 5.3023 5.3023 6.1430 6.1430 7.2910 7.2910 7.6124 7.6124 8.7414 8.7414 10.9615 10.9615 11.2538 11.2538 11.3896 11.3896 12.0044 12.0044 k = 0.0000 0.0000 0.4696 ( 3970 PWs) bands (ev): -19.3006 -19.3006 -5.9619 -5.9619 -4.0960 -4.0960 -3.9589 -3.9589 -2.4621 -2.4621 -1.4962 -1.4962 1.3116 1.3116 1.4367 1.4367 1.4560 1.4560 1.5316 1.5316 1.7044 1.7044 1.8779 1.8779 1.9237 1.9237 1.9505 1.9505 2.0722 2.0722 2.0917 2.0917 4.0584 4.0584 5.2253 5.2253 6.1041 6.1041 7.2343 7.2343 7.5489 7.5489 8.7181 8.7181 11.0661 11.0661 11.2154 11.2154 11.4162 11.4162 12.0407 12.0407 k = 0.0000 0.0000 0.4931 ( 3980 PWs) bands (ev): -19.2984 -19.2984 -5.9672 -5.9672 -4.0997 -4.0997 -3.9689 -3.9689 -2.4223 -2.4223 -1.5027 -1.5027 1.3095 1.3095 1.4421 1.4421 1.4607 1.4607 1.5399 1.5399 1.7102 1.7102 1.8781 1.8781 1.9186 1.9186 1.9493 1.9493 2.0644 2.0644 2.0892 2.0892 4.0595 4.0595 5.1503 5.1503 6.0648 6.0648 7.1833 7.1833 7.4865 7.4865 8.6946 8.6946 11.1306 11.1306 11.2087 11.2087 11.4245 11.4245 12.0627 12.0627 k = 0.0000 0.0000 0.5166 ( 3980 PWs) bands (ev): -19.2962 -19.2962 -5.9726 -5.9726 -4.1039 -4.1039 -3.9778 -3.9778 -2.3825 -2.3825 -1.5087 -1.5087 1.3074 1.3074 1.4476 1.4476 1.4649 1.4649 1.5485 1.5485 1.7166 1.7166 1.8781 1.8781 1.9127 1.9127 1.9478 1.9478 2.0547 2.0547 2.0899 2.0899 4.0576 4.0576 5.0776 5.0776 6.0252 6.0252 7.1377 7.1377 7.4252 7.4252 8.6701 8.6701 11.0899 11.0899 11.3009 11.3009 11.4187 11.4187 12.0325 12.0325 k = 0.0000 0.0000 0.5400 ( 3982 PWs) bands (ev): -19.2940 -19.2940 -5.9781 -5.9781 -4.1088 -4.1088 -3.9853 -3.9853 -2.3428 -2.3428 -1.5144 -1.5144 1.3052 1.3052 1.4533 1.4533 1.4686 1.4686 1.5571 1.5571 1.7235 1.7235 1.8775 1.8775 1.9060 1.9060 1.9461 1.9461 2.0452 2.0452 2.0917 2.0917 4.0527 4.0527 5.0073 5.0073 5.9857 5.9857 7.0972 7.0972 7.3651 7.3651 8.6443 8.6443 11.0307 11.0307 11.3853 11.3853 11.4244 11.4244 11.9625 11.9625 k = 0.0000 0.0000 0.5635 ( 3978 PWs) bands (ev): -19.2918 -19.2918 -5.9836 -5.9836 -4.1144 -4.1144 -3.9914 -3.9914 -2.3036 -2.3036 -1.5195 -1.5195 1.3031 1.3031 1.4592 1.4592 1.4720 1.4720 1.5655 1.5655 1.7310 1.7310 1.8761 1.8761 1.8990 1.8990 1.9441 1.9441 2.0367 2.0367 2.0941 2.0941 4.0449 4.0449 4.9395 4.9395 5.9464 5.9464 7.0611 7.0611 7.3061 7.3061 8.6163 8.6163 10.9676 10.9676 11.3688 11.3688 11.5249 11.5249 11.8790 11.8790 k = 0.0000 0.0000 0.5870 ( 3976 PWs) bands (ev): -19.2895 -19.2895 -5.9891 -5.9891 -4.1206 -4.1206 -3.9963 -3.9963 -2.2648 -2.2648 -1.5241 -1.5241 1.3011 1.3011 1.4652 1.4652 1.4751 1.4751 1.5736 1.5736 1.7388 1.7388 1.8729 1.8729 1.8926 1.8926 1.9422 1.9422 2.0295 2.0295 2.0967 2.0967 4.0345 4.0345 4.8741 4.8741 5.9077 5.9077 7.0288 7.0288 7.2484 7.2484 8.5855 8.5855 10.9034 10.9034 11.3375 11.3375 11.6338 11.6338 11.7934 11.7934 k = 0.0000 0.0000 0.6105 ( 3976 PWs) bands (ev): -19.2872 -19.2872 -5.9945 -5.9945 -4.1272 -4.1272 -4.0000 -4.0000 -2.2266 -2.2266 -1.5281 -1.5281 1.2993 1.2993 1.4710 1.4710 1.4779 1.4779 1.5812 1.5812 1.7468 1.7468 1.8669 1.8669 1.8883 1.8883 1.9402 1.9402 2.0235 2.0235 2.0994 2.0994 4.0217 4.0217 4.8114 4.8114 5.8697 5.8697 6.9992 6.9992 7.1919 7.1919 8.5511 8.5511 10.8399 10.8399 11.3017 11.3017 11.6927 11.6927 11.7613 11.7613 k = 0.0000 0.0000 0.6340 ( 3980 PWs) bands (ev): -19.2849 -19.2849 -6.0000 -6.0000 -4.1343 -4.1343 -4.0026 -4.0026 -2.1892 -2.1892 -1.5315 -1.5315 1.2976 1.2976 1.4760 1.4760 1.4813 1.4813 1.5881 1.5881 1.7549 1.7549 1.8583 1.8583 1.8860 1.8860 1.9385 1.9385 2.0189 2.0189 2.1021 2.1021 4.0070 4.0070 4.7512 4.7512 5.8328 5.8328 6.9713 6.9713 7.1367 7.1367 8.5125 8.5125 10.7786 10.7786 11.2631 11.2631 11.6210 11.6210 11.7387 11.7387 k = 0.0000 0.0000 0.6574 ( 3968 PWs) bands (ev): -19.2827 -19.2827 -6.0054 -6.0054 -4.1417 -4.1417 -4.0042 -4.0042 -2.1527 -2.1527 -1.5343 -1.5343 1.2961 1.2961 1.4787 1.4787 1.4866 1.4866 1.5942 1.5942 1.7629 1.7629 1.8486 1.8486 1.8850 1.8850 1.9371 1.9371 2.0154 2.0154 2.1047 2.1047 3.9907 3.9907 4.6937 4.6937 5.7971 5.7971 6.9439 6.9439 7.0827 7.0827 8.4692 8.4692 10.7209 10.7209 11.2230 11.2230 11.5495 11.5495 11.6154 11.6154 k = 0.0000 0.0000 0.6809 ( 3970 PWs) bands (ev): -19.2804 -19.2804 -6.0107 -6.0107 -4.1492 -4.1492 -4.0050 -4.0050 -2.1172 -2.1172 -1.5364 -1.5364 1.2948 1.2948 1.4798 1.4798 1.4929 1.4929 1.5994 1.5994 1.7706 1.7706 1.8385 1.8385 1.8848 1.8848 1.9360 1.9360 2.0130 2.0130 2.1070 2.1070 3.9735 3.9735 4.6388 4.6388 5.7630 5.7630 6.9157 6.9157 7.0301 7.0301 8.4205 8.4205 10.6681 10.6681 11.1819 11.1819 11.4762 11.4762 11.5062 11.5062 k = 0.0000 0.0000 0.7044 ( 3970 PWs) bands (ev): -19.2781 -19.2781 -6.0159 -6.0159 -4.1568 -4.1568 -4.0052 -4.0052 -2.0829 -2.0829 -1.5378 -1.5378 1.2938 1.2938 1.4798 1.4798 1.4997 1.4997 1.6037 1.6037 1.7776 1.7776 1.8290 1.8290 1.8852 1.8852 1.9354 1.9354 2.0115 2.0115 2.1092 2.1092 3.9559 3.9559 4.5865 4.5865 5.7306 5.7306 6.8856 6.8856 6.9789 6.9789 8.3664 8.3664 10.6213 10.6213 11.1406 11.1406 11.3699 11.3699 11.4461 11.4461 k = 0.0000 0.0000 0.7279 ( 3964 PWs) bands (ev): -19.2759 -19.2759 -6.0209 -6.0209 -4.1642 -4.1642 -4.0048 -4.0048 -2.0498 -2.0498 -1.5386 -1.5386 1.2931 1.2931 1.4786 1.4786 1.5068 1.5068 1.6072 1.6072 1.7838 1.7838 1.8204 1.8204 1.8864 1.8864 1.9353 1.9353 2.0107 2.0107 2.1110 2.1110 3.9384 3.9384 4.5369 4.5369 5.7002 5.7002 6.8522 6.8522 6.9292 6.9292 8.3065 8.3065 10.5816 10.5816 11.0992 11.0992 11.2608 11.2608 11.4068 11.4068 k = 0.0000 0.0000 0.7514 ( 3980 PWs) bands (ev): -19.2737 -19.2737 -6.0259 -6.0259 -4.1715 -4.1715 -4.0040 -4.0040 -2.0182 -2.0182 -1.5388 -1.5388 1.2927 1.2927 1.4762 1.4762 1.5140 1.5140 1.6099 1.6099 1.7884 1.7884 1.8134 1.8134 1.8882 1.8882 1.9357 1.9357 2.0106 2.0106 2.1125 2.1125 3.9217 3.9217 4.4898 4.4898 5.6720 5.6720 6.8145 6.8145 6.8811 6.8811 8.2411 8.2411 10.5500 10.5500 11.0580 11.0580 11.1583 11.1583 11.3806 11.3806 k = 0.0000 0.0000 0.7748 ( 3980 PWs) bands (ev): -19.2716 -19.2716 -6.0307 -6.0307 -4.1786 -4.1786 -4.0029 -4.0029 -1.9881 -1.9881 -1.5382 -1.5382 1.2926 1.2926 1.4725 1.4725 1.5213 1.5213 1.6121 1.6121 1.7910 1.7910 1.8086 1.8086 1.8908 1.8908 1.9367 1.9367 2.0111 2.0111 2.1135 2.1135 3.9064 3.9064 4.4452 4.4452 5.6462 5.6462 6.7714 6.7714 6.8346 6.8346 8.1705 8.1705 10.5267 10.5267 11.0155 11.0155 11.0652 11.0652 11.3667 11.3667 k = 0.0000 0.0000 0.7983 ( 3974 PWs) bands (ev): -19.2695 -19.2695 -6.0353 -6.0353 -4.1854 -4.1854 -4.0015 -4.0015 -1.9595 -1.9595 -1.5371 -1.5371 1.2928 1.2928 1.4673 1.4673 1.5288 1.5288 1.6140 1.6140 1.7909 1.7909 1.8066 1.8066 1.8940 1.8940 1.9384 1.9384 2.0120 2.0120 2.1142 2.1142 3.8930 3.8930 4.4032 4.4032 5.6230 5.6230 6.7224 6.7224 6.7898 6.7898 8.0952 8.0952 10.5119 10.5119 10.9603 10.9603 10.9941 10.9941 11.3648 11.3648 k = 0.0000 0.0000 0.8218 ( 3962 PWs) bands (ev): -19.2674 -19.2674 -6.0397 -6.0397 -4.1918 -4.1918 -3.9999 -3.9999 -1.9326 -1.9326 -1.5354 -1.5354 1.2934 1.2934 1.4607 1.4607 1.5364 1.5364 1.6159 1.6159 1.7890 1.7890 1.8065 1.8065 1.8979 1.8979 1.9408 1.9408 2.0133 2.0133 2.1143 2.1143 3.8821 3.8821 4.3636 4.3636 5.6025 5.6025 6.6670 6.6670 6.7467 6.7467 8.0156 8.0156 10.5043 10.5043 10.8888 10.8888 10.9504 10.9504 11.3743 11.3743 k = 0.0000 0.0000 0.8453 ( 3962 PWs) bands (ev): -19.2654 -19.2654 -6.0440 -6.0440 -4.1980 -4.1980 -3.9981 -3.9981 -1.9075 -1.9075 -1.5332 -1.5332 1.2942 1.2942 1.4526 1.4526 1.5441 1.5441 1.6180 1.6180 1.7867 1.7867 1.8066 1.8066 1.9021 1.9021 1.9438 1.9438 2.0150 2.0150 2.1140 2.1140 3.8742 3.8742 4.3265 4.3265 5.5849 5.5849 6.6052 6.6052 6.7053 6.7053 7.9327 7.9327 10.5013 10.5013 10.8246 10.8246 10.9132 10.9132 11.3947 11.3947 k = 0.0000 0.0000 0.8688 ( 3966 PWs) bands (ev): -19.2635 -19.2635 -6.0480 -6.0480 -4.2037 -4.2037 -3.9963 -3.9963 -1.8841 -1.8841 -1.5305 -1.5305 1.2952 1.2952 1.4433 1.4433 1.5518 1.5518 1.6204 1.6204 1.7847 1.7847 1.8065 1.8065 1.9065 1.9065 1.9475 1.9475 2.0168 2.0168 2.1130 2.1130 3.8697 3.8697 4.2917 4.2917 5.5704 5.5704 6.5371 6.5371 6.6657 6.6657 7.8471 7.8471 10.4973 10.4973 10.7771 10.7771 10.8786 10.8786 11.4252 11.4252 k = 0.0000 0.0000 0.8922 ( 3974 PWs) bands (ev): -19.2617 -19.2617 -6.0519 -6.0519 -4.2091 -4.2091 -3.9943 -3.9943 -1.8625 -1.8625 -1.5274 -1.5274 1.2965 1.2965 1.4329 1.4329 1.5594 1.5594 1.6233 1.6233 1.7830 1.7830 1.8059 1.8059 1.9110 1.9110 1.9516 1.9516 2.0187 2.0187 2.1116 2.1116 3.8690 3.8690 4.2593 4.2593 5.5588 5.5588 6.4630 6.4630 6.6278 6.6278 7.7597 7.7597 10.4843 10.4843 10.7543 10.7543 10.8460 10.8460 11.4651 11.4651 k = 0.0000 0.0000 0.9157 ( 3970 PWs) bands (ev): -19.2599 -19.2599 -6.0555 -6.0555 -4.2141 -4.2141 -3.9924 -3.9924 -1.8426 -1.8426 -1.5239 -1.5239 1.2979 1.2979 1.4218 1.4218 1.5671 1.5671 1.6267 1.6267 1.7817 1.7817 1.8048 1.8048 1.9154 1.9154 1.9563 1.9563 2.0206 2.0206 2.1096 2.1096 3.8725 3.8725 4.2292 4.2292 5.5504 5.5504 6.3836 6.3836 6.5919 6.5919 7.6712 7.6712 10.4576 10.4576 10.7598 10.7598 10.8159 10.8159 11.5138 11.5138 k = 0.0000 0.0000 0.9392 ( 3966 PWs) bands (ev): -19.2582 -19.2582 -6.0590 -6.0590 -4.2186 -4.2186 -3.9904 -3.9904 -1.8246 -1.8246 -1.5201 -1.5201 1.2996 1.2996 1.4102 1.4102 1.5747 1.5747 1.6305 1.6305 1.7807 1.7807 1.8035 1.8035 1.9197 1.9197 1.9613 1.9613 2.0223 2.0223 2.1072 2.1072 3.8803 3.8803 4.2013 4.2013 5.5452 5.5452 6.2995 6.2995 6.5578 6.5578 7.5825 7.5825 10.4203 10.4203 10.7777 10.7777 10.7999 10.7999 11.5705 11.5705 k = 0.0000 0.0000 0.9627 ( 3956 PWs) bands (ev): -19.2566 -19.2566 -6.0622 -6.0622 -4.2229 -4.2229 -3.9885 -3.9885 -1.8083 -1.8083 -1.5161 -1.5161 1.3013 1.3013 1.3983 1.3983 1.5822 1.5822 1.6347 1.6347 1.7799 1.7799 1.8019 1.8019 1.9239 1.9239 1.9665 1.9665 2.0239 2.0239 2.1042 2.1042 3.8927 3.8927 4.1756 4.1756 5.5430 5.5430 6.2116 6.2116 6.5258 6.5258 7.4943 7.4943 10.3784 10.3784 10.7563 10.7563 10.8429 10.8429 11.6344 11.6344 k = 0.0000 0.0000 0.9862 ( 3952 PWs) bands (ev): -19.2552 -19.2552 -6.0651 -6.0651 -4.2267 -4.2267 -3.9866 -3.9866 -1.7937 -1.7937 -1.5120 -1.5120 1.3031 1.3031 1.3865 1.3865 1.5895 1.5895 1.6393 1.6393 1.7792 1.7792 1.8001 1.8001 1.9279 1.9279 1.9719 1.9719 2.0251 2.0251 2.1009 2.1009 3.9097 3.9097 4.1521 4.1521 5.5438 5.5438 6.1208 6.1208 6.4957 6.4957 7.4075 7.4075 10.3361 10.3361 10.7315 10.7315 10.9034 10.9034 11.7048 11.7048 k = 0.0000 0.0000 1.0096 ( 3952 PWs) bands (ev): -19.2538 -19.2538 -6.0679 -6.0679 -4.2301 -4.2301 -3.9848 -3.9848 -1.7807 -1.7807 -1.5078 -1.5078 1.3050 1.3050 1.3750 1.3750 1.5966 1.5966 1.6440 1.6440 1.7787 1.7787 1.7982 1.7982 1.9318 1.9318 1.9772 1.9772 2.0259 2.0259 2.0971 2.0971 3.9312 3.9312 4.1308 4.1308 5.5474 5.5474 6.0282 6.0282 6.4678 6.4678 7.3227 7.3227 10.2952 10.2952 10.7082 10.7082 10.9732 10.9732 11.7810 11.7810 k = 0.0000 0.0000 1.0331 ( 3956 PWs) bands (ev): -19.2525 -19.2525 -6.0704 -6.0704 -4.2332 -4.2332 -3.9831 -3.9831 -1.7692 -1.7692 -1.5037 -1.5037 1.3068 1.3068 1.3639 1.3639 1.6034 1.6034 1.6489 1.6489 1.7782 1.7782 1.7962 1.7962 1.9355 1.9355 1.9825 1.9825 2.0261 2.0261 2.0930 2.0930 3.9568 3.9568 4.1118 4.1118 5.5535 5.5535 5.9348 5.9348 6.4420 6.4420 7.2408 7.2408 10.2571 10.2571 10.6867 10.6867 11.0494 11.0494 11.8622 11.8622 k = 0.0000 0.0000 1.0566 ( 3960 PWs) bands (ev): -19.2513 -19.2513 -6.0726 -6.0726 -4.2360 -4.2360 -3.9815 -3.9815 -1.7593 -1.7593 -1.4997 -1.4997 1.3086 1.3086 1.3534 1.3534 1.6098 1.6098 1.6538 1.6538 1.7778 1.7778 1.7943 1.7943 1.9392 1.9392 1.9875 1.9875 2.0259 2.0259 2.0887 2.0887 3.9860 3.9860 4.0953 4.0953 5.5617 5.5617 5.8421 5.8421 6.4184 6.4184 7.1625 7.1625 10.2221 10.2221 10.6672 10.6672 11.1298 11.1298 11.9476 11.9476 k = 0.0000 0.0000 1.0801 ( 3964 PWs) bands (ev): -19.2502 -19.2502 -6.0747 -6.0747 -4.2384 -4.2384 -3.9800 -3.9800 -1.7507 -1.7507 -1.4958 -1.4958 1.3103 1.3103 1.3436 1.3436 1.6158 1.6158 1.6587 1.6587 1.7774 1.7774 1.7924 1.7924 1.9428 1.9428 1.9924 1.9924 2.0252 2.0252 2.0844 2.0844 4.0170 4.0170 4.0824 4.0824 5.5710 5.5710 5.7517 5.7517 6.3971 6.3971 7.0887 7.0887 10.1905 10.1905 10.6497 10.6497 11.2123 11.2123 12.0363 12.0363 k = 0.0000 0.0000 1.1036 ( 3966 PWs) bands (ev): -19.2493 -19.2493 -6.0765 -6.0765 -4.2405 -4.2405 -3.9787 -3.9787 -1.7434 -1.7434 -1.4922 -1.4922 1.3118 1.3118 1.3348 1.3348 1.6212 1.6212 1.6634 1.6634 1.7770 1.7770 1.7906 1.7906 1.9463 1.9463 1.9970 1.9970 2.0240 2.0240 2.0800 2.0800 4.0416 4.0416 4.0806 4.0806 5.5782 5.5782 5.6678 5.6678 6.3779 6.3779 7.0201 7.0201 10.1626 10.1626 10.6341 10.6341 11.2948 11.2948 12.1272 12.1272 k = 0.0000 0.0000 1.1270 ( 3974 PWs) bands (ev): -19.2485 -19.2485 -6.0780 -6.0780 -4.2423 -4.2423 -3.9775 -3.9775 -1.7372 -1.7372 -1.4890 -1.4890 1.3132 1.3132 1.3269 1.3269 1.6260 1.6260 1.6679 1.6679 1.7765 1.7765 1.7889 1.7889 1.9496 1.9496 2.0013 2.0013 2.0224 2.0224 2.0758 2.0758 4.0435 4.0435 4.1052 4.1052 5.5561 5.5561 5.6185 5.6185 6.3611 6.3611 6.9577 6.9577 10.1384 10.1384 10.6207 10.6207 11.3752 11.3752 12.2187 12.2187 k = 0.0000 0.0000 1.1505 ( 3966 PWs) bands (ev): -19.2478 -19.2478 -6.0793 -6.0793 -4.2438 -4.2438 -3.9765 -3.9765 -1.7322 -1.7322 -1.4861 -1.4861 1.3145 1.3145 1.3201 1.3201 1.6302 1.6302 1.6720 1.6720 1.7760 1.7760 1.7876 1.7876 1.9529 1.9529 2.0051 2.0051 2.0206 2.0206 2.0718 2.0718 4.0367 4.0367 4.1407 4.1407 5.4885 5.4885 5.6210 5.6210 6.3467 6.3467 6.9024 6.9024 10.1178 10.1178 10.6092 10.6092 11.4507 11.4507 12.3090 12.3090 k = 0.0000 0.0000 1.1740 ( 3950 PWs) bands (ev): -19.2472 -19.2472 -6.0804 -6.0804 -4.2450 -4.2450 -3.9756 -3.9756 -1.7282 -1.7282 -1.4837 -1.4837 1.3145 1.3145 1.3156 1.3156 1.6338 1.6338 1.6757 1.6757 1.7756 1.7756 1.7865 1.7865 1.9559 1.9559 2.0082 2.0082 2.0189 2.0189 2.0683 2.0683 4.0297 4.0297 4.1767 4.1767 5.4207 5.4207 5.6315 5.6315 6.3346 6.3346 6.8553 6.8553 10.1010 10.1010 10.5998 10.5998 11.5187 11.5187 12.3951 12.3951 k = 0.0000 0.0000 1.1975 ( 3948 PWs) bands (ev): -19.2467 -19.2467 -6.0812 -6.0812 -4.2460 -4.2460 -3.9749 -3.9749 -1.7252 -1.7252 -1.4818 -1.4818 1.3101 1.3101 1.3164 1.3164 1.6365 1.6365 1.6787 1.6787 1.7750 1.7750 1.7856 1.7856 1.9586 1.9586 2.0102 2.0102 2.0178 2.0178 2.0652 2.0652 4.0239 4.0239 4.2094 4.2094 5.3624 5.3624 5.6419 5.6419 6.3251 6.3251 6.8173 6.8173 10.0880 10.0880 10.5925 10.5925 11.5762 11.5762 12.4732 12.4732 k = 0.0000 0.0000 1.2210 ( 3950 PWs) bands (ev): -19.2464 -19.2464 -6.0818 -6.0818 -4.2466 -4.2466 -3.9745 -3.9745 -1.7231 -1.7231 -1.4804 -1.4804 1.3069 1.3069 1.3169 1.3169 1.6385 1.6385 1.6810 1.6810 1.7746 1.7746 1.7850 1.7850 1.9608 1.9608 2.0107 2.0107 2.0178 2.0178 2.0629 2.0629 4.0197 4.0197 4.2358 4.2358 5.3175 5.3175 5.6503 5.6503 6.3182 6.3182 6.7894 6.7894 10.0786 10.0786 10.5873 10.5873 11.6202 11.6202 12.5374 12.5374 k = 0.0000 0.0000 1.2445 ( 3942 PWs) bands (ev): -19.2462 -19.2462 -6.0822 -6.0822 -4.2470 -4.2470 -3.9742 -3.9742 -1.7219 -1.7219 -1.4795 -1.4795 1.3050 1.3050 1.3173 1.3173 1.6397 1.6397 1.6824 1.6824 1.7743 1.7743 1.7847 1.7847 1.9622 1.9622 2.0104 2.0104 2.0184 2.0184 2.0614 2.0614 4.0172 4.0172 4.2531 4.2531 5.2889 5.2889 5.6558 5.6558 6.3140 6.3140 6.7723 6.7723 10.0730 10.0730 10.5842 10.5842 11.6478 11.6478 12.5806 12.5806 k = 0.0000 0.0000 1.2679 ( 3936 PWs) bands (ev): -19.2462 -19.2462 -6.0823 -6.0823 -4.2472 -4.2472 -3.9741 -3.9741 -1.7214 -1.7214 -1.4792 -1.4792 1.3043 1.3043 1.3174 1.3174 1.6402 1.6402 1.6829 1.6829 1.7742 1.7742 1.7846 1.7846 1.9627 1.9627 2.0101 2.0101 2.0187 2.0187 2.0609 2.0609 4.0164 4.0164 4.2592 4.2592 5.2791 5.2791 5.6577 5.6577 6.3126 6.3126 6.7666 6.7666 10.0712 10.0712 10.5831 10.5831 11.6573 11.6573 12.5959 12.5959 k = 0.0000 0.0000 1.2679 ( 3936 PWs) bands (ev): -19.2462 -19.2462 -6.0823 -6.0823 -4.2472 -4.2472 -3.9741 -3.9741 -1.7214 -1.7214 -1.4792 -1.4792 1.3043 1.3043 1.3174 1.3174 1.6402 1.6402 1.6829 1.6829 1.7742 1.7742 1.7846 1.7846 1.9627 1.9627 2.0101 2.0101 2.0187 2.0187 2.0609 2.0609 4.0164 4.0164 4.2592 4.2592 5.2791 5.2791 5.6577 5.6577 6.3126 6.3126 6.7666 6.7666 10.0712 10.0712 10.5831 10.5831 11.6573 11.6573 12.5959 12.5959 k =-0.0092 0.0215 1.2679 ( 3948 PWs) bands (ev): -19.2462 -19.2462 -6.0822 -6.0822 -4.2470 -4.2470 -3.9742 -3.9742 -1.7209 -1.7209 -1.4808 -1.4808 1.3043 1.3043 1.3180 1.3180 1.6398 1.6398 1.6825 1.6825 1.7742 1.7742 1.7847 1.7847 1.9627 1.9627 2.0101 2.0101 2.0185 2.0185 2.0607 2.0607 4.0190 4.0190 4.2600 4.2600 5.2801 5.2801 5.6593 5.6593 6.3105 6.3105 6.7659 6.7659 10.0765 10.0765 10.5892 10.5892 11.6561 11.6561 12.5970 12.5970 k =-0.0184 0.0429 1.2679 ( 3960 PWs) bands (ev): -19.2464 -19.2464 -6.0819 -6.0819 -4.2466 -4.2466 -3.9746 -3.9746 -1.7193 -1.7193 -1.4854 -1.4854 1.3043 1.3043 1.3198 1.3198 1.6388 1.6388 1.6814 1.6814 1.7744 1.7744 1.7849 1.7849 1.9626 1.9626 2.0099 2.0099 2.0180 2.0180 2.0601 2.0601 4.0268 4.0268 4.2625 4.2625 5.2829 5.2829 5.6641 5.6641 6.3043 6.3043 6.7640 6.7640 10.0922 10.0922 10.6072 10.6072 11.6525 11.6525 12.6003 12.6003 k =-0.0276 0.0644 1.2679 ( 3952 PWs) bands (ev): -19.2467 -19.2467 -6.0813 -6.0813 -4.2458 -4.2458 -3.9752 -3.9752 -1.7166 -1.7166 -1.4930 -1.4930 1.3043 1.3043 1.3228 1.3228 1.6372 1.6372 1.6796 1.6796 1.7747 1.7747 1.7854 1.7854 1.9625 1.9625 2.0096 2.0096 2.0174 2.0174 2.0592 2.0592 4.0396 4.0396 4.2667 4.2667 5.2874 5.2874 5.6721 5.6721 6.2945 6.2945 6.7611 6.7611 10.1180 10.1180 10.6370 10.6370 11.6465 11.6465 12.6058 12.6058 k =-0.0368 0.0858 1.2679 ( 3952 PWs) bands (ev): -19.2472 -19.2472 -6.0804 -6.0804 -4.2447 -4.2447 -3.9761 -3.9761 -1.7129 -1.7129 -1.5035 -1.5035 1.3043 1.3043 1.3270 1.3270 1.6350 1.6350 1.6772 1.6772 1.7752 1.7752 1.7860 1.7860 1.9622 1.9622 2.0088 2.0088 2.0171 2.0171 2.0578 2.0578 4.0573 4.0573 4.2726 4.2726 5.2933 5.2933 5.6832 5.6832 6.2816 6.2816 6.7576 6.7576 10.1532 10.1532 10.6784 10.6784 11.6381 11.6381 12.6135 12.6135 k =-0.0460 0.1073 1.2679 ( 3960 PWs) bands (ev): -19.2478 -19.2478 -6.0794 -6.0794 -4.2433 -4.2433 -3.9773 -3.9773 -1.7082 -1.7082 -1.5168 -1.5168 1.3043 1.3043 1.3322 1.3322 1.6323 1.6323 1.6741 1.6741 1.7757 1.7757 1.7868 1.7868 1.9617 1.9617 2.0072 2.0072 2.0174 2.0174 2.0561 2.0561 4.0795 4.0795 4.2802 4.2802 5.3004 5.3004 5.6975 5.6975 6.2665 6.2665 6.7539 6.7539 10.1969 10.1969 10.7311 10.7311 11.6274 11.6274 12.6233 12.6233 k =-0.0460 0.1073 1.2679 ( 3960 PWs) bands (ev): -19.2478 -19.2478 -6.0794 -6.0794 -4.2433 -4.2433 -3.9773 -3.9773 -1.7082 -1.7082 -1.5168 -1.5168 1.3043 1.3043 1.3322 1.3322 1.6323 1.6323 1.6741 1.6741 1.7757 1.7757 1.7868 1.7868 1.9617 1.9617 2.0072 2.0072 2.0174 2.0174 2.0561 2.0561 4.0795 4.0795 4.2802 4.2802 5.3004 5.3004 5.6975 5.6975 6.2665 6.2665 6.7539 6.7539 10.1969 10.1969 10.7311 10.7311 11.6274 11.6274 12.6233 12.6233 k =-0.0525 0.1224 1.2515 ( 3956 PWs) bands (ev): -19.2483 -19.2483 -6.0784 -6.0784 -4.2421 -4.2421 -3.9782 -3.9782 -1.7046 -1.7046 -1.5279 -1.5279 1.3047 1.3047 1.3365 1.3365 1.6299 1.6299 1.6714 1.6714 1.7762 1.7762 1.7876 1.7876 1.9609 1.9609 2.0054 2.0054 2.0182 2.0182 2.0549 2.0549 4.0978 4.0978 4.2834 4.2834 5.3109 5.3109 5.7088 5.7088 6.2556 6.2556 6.7543 6.7543 10.2331 10.2331 10.7753 10.7753 11.6140 11.6140 12.6239 12.6239 k =-0.0590 0.1375 1.2350 ( 3955 PWs) bands (ev): -19.2489 -19.2489 -6.0773 -6.0773 -4.2406 -4.2406 -3.9792 -3.9792 -1.7010 -1.7010 -1.5405 -1.5405 1.3056 1.3056 1.3411 1.3411 1.6270 1.6270 1.6681 1.6681 1.7768 1.7768 1.7884 1.7884 1.9596 1.9596 2.0031 2.0031 2.0196 2.0196 2.0538 2.0538 4.1180 4.1180 4.2810 4.2810 5.3317 5.3317 5.7207 5.7207 6.2458 6.2458 6.7603 6.7603 10.2742 10.2742 10.8257 10.8257 11.5906 11.5906 12.6109 12.6109 k =-0.0655 0.1526 1.2186 ( 3957 PWs) bands (ev): -19.2496 -19.2496 -6.0760 -6.0760 -4.2391 -4.2391 -3.9802 -3.9802 -1.6974 -1.6974 -1.5544 -1.5544 1.3071 1.3071 1.3461 1.3461 1.6237 1.6237 1.6643 1.6643 1.7774 1.7774 1.7892 1.7892 1.9576 1.9576 2.0001 2.0001 2.0217 2.0217 2.0528 2.0528 4.1396 4.1396 4.2733 4.2733 5.3623 5.3623 5.7339 5.7339 6.2372 6.2372 6.7719 6.7719 10.3195 10.3195 10.8823 10.8823 11.5580 11.5580 12.5865 12.5865 k =-0.0720 0.1677 1.2021 ( 3955 PWs) bands (ev): -19.2505 -19.2505 -6.0745 -6.0745 -4.2375 -4.2375 -3.9811 -3.9811 -1.6937 -1.6937 -1.5696 -1.5696 1.3093 1.3093 1.3515 1.3515 1.6199 1.6199 1.6602 1.6602 1.7781 1.7781 1.7901 1.7901 1.9552 1.9552 1.9967 1.9967 2.0242 2.0242 2.0518 2.0518 4.1619 4.1619 4.2608 4.2608 5.4022 5.4022 5.7493 5.7493 6.2303 6.2303 6.7887 6.7887 10.3682 10.3682 10.9448 10.9448 11.5171 11.5171 12.5532 12.5532 k =-0.0785 0.1828 1.1857 ( 3953 PWs) bands (ev): -19.2514 -19.2514 -6.0729 -6.0729 -4.2359 -4.2359 -3.9818 -3.9818 -1.6902 -1.6902 -1.5860 -1.5860 1.3120 1.3120 1.3571 1.3571 1.6159 1.6159 1.6559 1.6559 1.7788 1.7788 1.7910 1.7910 1.9524 1.9524 1.9928 1.9928 2.0271 2.0271 2.0506 2.0506 4.1837 4.1837 4.2446 4.2446 5.4503 5.4503 5.7677 5.7677 6.2253 6.2253 6.8106 6.8106 10.4193 10.4193 11.0132 11.0132 11.4692 11.4692 12.5134 12.5134 k =-0.0849 0.1980 1.1693 ( 3953 PWs) bands (ev): -19.2525 -19.2525 -6.0712 -6.0712 -4.2344 -4.2344 -3.9820 -3.9820 -1.6867 -1.6867 -1.6033 -1.6033 1.3152 1.3152 1.3631 1.3631 1.6117 1.6117 1.6514 1.6514 1.7795 1.7795 1.7919 1.7919 1.9493 1.9493 1.9887 1.9887 2.0302 2.0302 2.0494 2.0494 4.2015 4.2015 4.2281 4.2281 5.5058 5.5058 5.7903 5.7903 6.2226 6.2226 6.8369 6.8369 10.4715 10.4715 11.0871 11.0871 11.4158 11.4158 12.4695 12.4695 k =-0.0914 0.2131 1.1528 ( 3947 PWs) bands (ev): -19.2536 -19.2536 -6.0694 -6.0694 -4.2332 -4.2332 -3.9818 -3.9818 -1.6834 -1.6834 -1.6214 -1.6214 1.3190 1.3190 1.3693 1.3693 1.6072 1.6072 1.6470 1.6470 1.7802 1.7802 1.7927 1.7927 1.9459 1.9459 1.9843 1.9843 2.0335 2.0335 2.0479 2.0479 4.1942 4.1942 4.2324 4.2324 5.5676 5.5676 5.8180 5.8180 6.2226 6.2226 6.8673 6.8673 10.5232 10.5232 11.1661 11.1661 11.3590 11.3590 12.4232 12.4232 k =-0.0979 0.2282 1.1364 ( 3951 PWs) bands (ev): -19.2548 -19.2548 -6.0675 -6.0675 -4.2323 -4.2323 -3.9808 -3.9808 -1.6804 -1.6804 -1.6401 -1.6401 1.3232 1.3232 1.3757 1.3757 1.6026 1.6026 1.6426 1.6426 1.7808 1.7808 1.7936 1.7936 1.9423 1.9423 1.9798 1.9798 2.0366 2.0366 2.0463 2.0463 4.1703 4.1703 4.2489 4.2489 5.6348 5.6348 5.8518 5.8518 6.2256 6.2256 6.9014 6.9014 10.5720 10.5720 11.2475 11.2475 11.3039 11.3039 12.3758 12.3758 k =-0.1044 0.2433 1.1199 ( 3947 PWs) bands (ev): -19.2561 -19.2561 -6.0656 -6.0656 -4.2318 -4.2318 -3.9792 -3.9792 -1.6783 -1.6783 -1.6586 -1.6586 1.3280 1.3280 1.3823 1.3823 1.5980 1.5980 1.6383 1.6383 1.7813 1.7813 1.7944 1.7944 1.9386 1.9386 1.9751 1.9751 2.0393 2.0393 2.0447 2.0447 4.1430 4.1430 4.2645 4.2645 5.7065 5.7065 5.8923 5.8923 6.2319 6.2319 6.9386 6.9386 10.6144 10.6144 11.2402 11.2402 11.3445 11.3445 12.3285 12.3285 k =-0.1109 0.2584 1.1035 ( 3947 PWs) bands (ev): -19.2575 -19.2575 -6.0637 -6.0637 -4.2318 -4.2318 -3.9766 -3.9766 -1.6844 -1.6844 -1.6697 -1.6697 1.3331 1.3331 1.3891 1.3891 1.5933 1.5933 1.6343 1.6343 1.7819 1.7819 1.7952 1.7952 1.9346 1.9346 1.9703 1.9703 2.0401 2.0401 2.0446 2.0446 4.1139 4.1139 4.2774 4.2774 5.7820 5.7820 5.9401 5.9401 6.2421 6.2421 6.9786 6.9786 10.6454 10.6454 11.1917 11.1917 11.4376 11.4376 12.2821 12.2821 k =-0.1174 0.2735 1.0870 ( 3948 PWs) bands (ev): -19.2589 -19.2589 -6.0618 -6.0618 -4.2324 -4.2324 -3.9730 -3.9730 -1.7026 -1.7026 -1.6689 -1.6689 1.3386 1.3386 1.3960 1.3960 1.5886 1.5886 1.6305 1.6305 1.7824 1.7824 1.7961 1.7961 1.9306 1.9306 1.9654 1.9654 2.0382 2.0382 2.0467 2.0467 4.0836 4.0836 4.2872 4.2872 5.8603 5.8603 5.9954 5.9954 6.2566 6.2566 7.0208 7.0208 10.6587 10.6587 11.1546 11.1546 11.5359 11.5359 12.2374 12.2374 k =-0.1239 0.2886 1.0706 ( 3948 PWs) bands (ev): -19.2604 -19.2604 -6.0600 -6.0600 -4.2336 -4.2336 -3.9685 -3.9685 -1.7229 -1.7229 -1.6667 -1.6667 1.3444 1.3444 1.4030 1.4030 1.5839 1.5839 1.6271 1.6271 1.7830 1.7830 1.7969 1.7969 1.9264 1.9264 1.9605 1.9605 2.0355 2.0355 2.0490 2.0490 4.0524 4.0524 4.2938 4.2938 5.9406 5.9406 6.0581 6.0581 6.2762 6.2762 7.0650 7.0650 10.6490 10.6490 11.1345 11.1345 11.6380 11.6380 12.1954 12.1954 k =-0.1303 0.3037 1.0541 ( 3953 PWs) bands (ev): -19.2618 -19.2618 -6.0582 -6.0582 -4.2355 -4.2355 -3.9629 -3.9629 -1.7434 -1.7434 -1.6643 -1.6643 1.3506 1.3506 1.4100 1.4100 1.5794 1.5794 1.6239 1.6239 1.7836 1.7836 1.7978 1.7978 1.9222 1.9222 1.9555 1.9555 2.0323 2.0323 2.0512 2.0512 4.0207 4.0207 4.2973 4.2973 6.0217 6.0217 6.1275 6.1275 6.3021 6.3021 7.1107 7.1107 10.6157 10.6157 11.1312 11.1312 11.7422 11.7422 12.1575 12.1575 k =-0.1368 0.3189 1.0377 ( 3950 PWs) bands (ev): -19.2634 -19.2634 -6.0565 -6.0565 -4.2380 -4.2380 -3.9562 -3.9562 -1.7640 -1.7640 -1.6621 -1.6621 1.3570 1.3570 1.4171 1.4171 1.5749 1.5749 1.6211 1.6211 1.7843 1.7843 1.7988 1.7988 1.9179 1.9179 1.9506 1.9506 2.0288 2.0288 2.0531 2.0531 3.9886 3.9886 4.2978 4.2978 6.1017 6.1017 6.2028 6.2028 6.3367 6.3367 7.1575 7.1575 10.5636 10.5636 11.1390 11.1390 11.8444 11.8444 12.1277 12.1277 k =-0.1433 0.3340 1.0212 ( 3956 PWs) bands (ev): -19.2649 -19.2649 -6.0549 -6.0549 -4.2410 -4.2410 -3.9486 -3.9486 -1.7845 -1.7845 -1.6600 -1.6600 1.3636 1.3636 1.4241 1.4241 1.5705 1.5705 1.6187 1.6187 1.7851 1.7851 1.7998 1.7998 1.9136 1.9136 1.9456 1.9456 2.0249 2.0249 2.0545 2.0545 3.9563 3.9563 4.2955 4.2955 6.1771 6.1771 6.2828 6.2828 6.3835 6.3835 7.2051 7.2051 10.4992 10.4992 11.1509 11.1509 11.9295 11.9295 12.1207 12.1207 k =-0.1498 0.3491 1.0048 ( 3968 PWs) bands (ev): -19.2665 -19.2665 -6.0534 -6.0534 -4.2445 -4.2445 -3.9402 -3.9402 -1.8047 -1.8047 -1.6581 -1.6581 1.3704 1.3704 1.4311 1.4311 1.5662 1.5662 1.6165 1.6165 1.7860 1.7860 1.8009 1.8009 1.9092 1.9092 1.9407 1.9407 2.0208 2.0208 2.0556 2.0556 3.9241 3.9241 4.2909 4.2909 6.2435 6.2435 6.3670 6.3670 6.4464 6.4464 7.2533 7.2533 10.4278 10.4278 11.1611 11.1611 11.9627 11.9627 12.1708 12.1708 k =-0.1563 0.3642 0.9884 ( 3975 PWs) bands (ev): -19.2680 -19.2680 -6.0520 -6.0520 -4.2485 -4.2485 -3.9309 -3.9309 -1.8246 -1.8246 -1.6565 -1.6565 1.3773 1.3773 1.4380 1.4380 1.5621 1.5621 1.6146 1.6146 1.7870 1.7870 1.8022 1.8022 1.9048 1.9048 1.9359 1.9359 2.0164 2.0164 2.0562 2.0562 3.8921 3.8921 4.2844 4.2844 6.2995 6.2995 6.4553 6.4553 6.5258 6.5258 7.3015 7.3015 10.3529 10.3529 11.1664 11.1664 11.9507 11.9507 12.2703 12.2703 k =-0.1628 0.3793 0.9719 ( 3975 PWs) bands (ev): -19.2695 -19.2695 -6.0507 -6.0507 -4.2528 -4.2528 -3.9210 -3.9210 -1.8439 -1.8439 -1.6550 -1.6550 1.3843 1.3843 1.4449 1.4449 1.5581 1.5581 1.6130 1.6130 1.7882 1.7882 1.8036 1.8036 1.9005 1.9005 1.9311 1.9311 2.0118 2.0118 2.0565 2.0565 3.8606 3.8606 4.2762 4.2762 6.3479 6.3479 6.5467 6.5467 6.6187 6.6187 7.3496 7.3496 10.2770 10.2770 11.1651 11.1651 11.9239 11.9239 12.3868 12.3868 k =-0.1693 0.3944 0.9555 ( 3965 PWs) bands (ev): -19.2710 -19.2710 -6.0496 -6.0496 -4.2574 -4.2574 -3.9106 -3.9106 -1.8626 -1.8626 -1.6537 -1.6537 1.3913 1.3913 1.4518 1.4518 1.5543 1.5543 1.6117 1.6117 1.7896 1.7896 1.8053 1.8053 1.8963 1.8963 1.9265 1.9265 2.0070 2.0070 2.0562 2.0562 3.8296 3.8296 4.2668 4.2668 6.3924 6.3924 6.6393 6.6393 6.7217 6.7217 7.3973 7.3973 10.2018 10.2018 11.1571 11.1571 11.8920 11.8920 12.5069 12.5069 k =-0.1757 0.4095 0.9390 ( 3961 PWs) bands (ev): -19.2725 -19.2725 -6.0486 -6.0486 -4.2622 -4.2622 -3.8999 -3.8999 -1.8806 -1.8806 -1.6525 -1.6525 1.3983 1.3983 1.4585 1.4585 1.5506 1.5506 1.6105 1.6105 1.7911 1.7911 1.8072 1.8072 1.8922 1.8922 1.9220 1.9220 2.0020 2.0020 2.0556 2.0556 3.7994 3.7994 4.2566 4.2566 6.4355 6.4355 6.7315 6.7315 6.8327 6.8327 7.4442 7.4442 10.1286 10.1286 11.1432 11.1432 11.8562 11.8562 12.6167 12.6167 k =-0.1822 0.4247 0.9226 ( 3960 PWs) bands (ev): -19.2739 -19.2739 -6.0477 -6.0477 -4.2670 -4.2670 -3.8890 -3.8890 -1.8979 -1.8979 -1.6516 -1.6516 1.4052 1.4052 1.4650 1.4650 1.5471 1.5471 1.6094 1.6094 1.7927 1.7927 1.8092 1.8092 1.8883 1.8883 1.9177 1.9177 1.9969 1.9969 2.0545 2.0545 3.7701 3.7701 4.2458 4.2458 6.4780 6.4780 6.8224 6.8224 6.9499 6.9499 7.4902 7.4902 10.0582 10.0582 11.1247 11.1247 11.8153 11.8153 12.6622 12.6622 k =-0.1887 0.4398 0.9061 ( 3966 PWs) bands (ev): -19.2753 -19.2753 -6.0470 -6.0470 -4.2718 -4.2718 -3.8780 -3.8780 -1.9143 -1.9143 -1.6508 -1.6508 1.4120 1.4120 1.4715 1.4715 1.5438 1.5438 1.6083 1.6083 1.7945 1.7945 1.8114 1.8114 1.8846 1.8846 1.9136 1.9136 1.9917 1.9917 2.0529 2.0529 3.7419 3.7419 4.2347 4.2347 6.5204 6.5204 6.9112 6.9112 7.0719 7.0719 7.5350 7.5350 9.9915 9.9915 11.1031 11.1031 11.7662 11.7662 12.5840 12.5840 k =-0.1952 0.4549 0.8897 ( 3976 PWs) bands (ev): -19.2766 -19.2766 -6.0463 -6.0463 -4.2766 -4.2766 -3.8671 -3.8671 -1.9297 -1.9297 -1.6502 -1.6502 1.4186 1.4186 1.4777 1.4777 1.5408 1.5408 1.6072 1.6072 1.7963 1.7963 1.8138 1.8138 1.8812 1.8812 1.9097 1.9097 1.9864 1.9864 2.0510 2.0510 3.7150 3.7150 4.2236 4.2236 6.5625 6.5625 6.9974 6.9974 7.1972 7.1972 7.5785 7.5785 9.9290 9.9290 11.0800 11.0800 11.7048 11.7048 12.4690 12.4690 k =-0.2017 0.4700 0.8732 ( 3978 PWs) bands (ev): -19.2779 -19.2779 -6.0458 -6.0458 -4.2812 -4.2812 -3.8564 -3.8564 -1.9442 -1.9442 -1.6497 -1.6497 1.4251 1.4251 1.4836 1.4836 1.5380 1.5380 1.6061 1.6061 1.7983 1.7983 1.8162 1.8162 1.8781 1.8781 1.9062 1.9062 1.9811 1.9811 2.0486 2.0486 3.6895 3.6895 4.2127 4.2127 6.6040 6.6040 7.0803 7.0803 7.3246 7.3246 7.6208 7.6208 9.8711 9.8711 11.0569 11.0569 11.6265 11.6265 12.3632 12.3632 k =-0.2082 0.4851 0.8568 ( 3980 PWs) bands (ev): -19.2790 -19.2790 -6.0453 -6.0453 -4.2856 -4.2856 -3.8461 -3.8461 -1.9576 -1.9576 -1.6493 -1.6493 1.4313 1.4313 1.4890 1.4890 1.5357 1.5357 1.6048 1.6048 1.8003 1.8003 1.8185 1.8185 1.8753 1.8753 1.9030 1.9030 1.9758 1.9758 2.0460 2.0460 3.6656 3.6656 4.2021 4.2021 6.6447 6.6447 7.1591 7.1591 7.4518 7.4518 7.6628 7.6628 9.8181 9.8181 11.0351 11.0351 11.5289 11.5289 12.2782 12.2782 k =-0.2147 0.5002 0.8403 ( 3982 PWs) bands (ev): -19.2801 -19.2801 -6.0450 -6.0450 -4.2897 -4.2897 -3.8364 -3.8364 -1.9698 -1.9698 -1.6490 -1.6490 1.4373 1.4373 1.4939 1.4939 1.5340 1.5340 1.6033 1.6033 1.8025 1.8025 1.8207 1.8207 1.8731 1.8731 1.9004 1.9004 1.9707 1.9707 2.0431 2.0431 3.6435 3.6435 4.1922 4.1922 6.6838 6.6838 7.2330 7.2330 7.5736 7.5736 7.7084 7.7084 9.7704 9.7704 11.0159 11.0159 11.4136 11.4136 12.2154 12.2154 k =-0.2211 0.5153 0.8239 ( 3978 PWs) bands (ev): -19.2811 -19.2811 -6.0447 -6.0447 -4.2936 -4.2936 -3.8273 -3.8273 -1.9809 -1.9809 -1.6487 -1.6487 1.4430 1.4430 1.4977 1.4977 1.5332 1.5332 1.6016 1.6016 1.8046 1.8046 1.8226 1.8226 1.8712 1.8712 1.8983 1.8983 1.9657 1.9657 2.0401 2.0401 3.6233 3.6233 4.1830 4.1830 6.7210 6.7210 7.3014 7.3014 7.6718 7.6718 7.7742 7.7742 9.7279 9.7279 11.0002 11.0002 11.2857 11.2857 12.1718 12.1718 k =-0.2276 0.5304 0.8075 ( 3982 PWs) bands (ev): -19.2820 -19.2820 -6.0445 -6.0445 -4.2970 -4.2970 -3.8190 -3.8190 -1.9908 -1.9908 -1.6486 -1.6486 1.4484 1.4484 1.5001 1.5001 1.5337 1.5337 1.5996 1.5996 1.8068 1.8068 1.8241 1.8241 1.8697 1.8697 1.8969 1.8969 1.9609 1.9609 2.0369 2.0369 3.6051 3.6051 4.1746 4.1746 6.7556 6.7556 7.3636 7.3636 7.7274 7.7274 7.8770 7.8770 9.6907 9.6907 10.9886 10.9886 11.1517 11.1517 12.1426 12.1426 k =-0.2341 0.5456 0.7910 ( 3975 PWs) bands (ev): -19.2827 -19.2827 -6.0443 -6.0443 -4.3001 -4.3001 -3.8115 -3.8115 -1.9995 -1.9995 -1.6485 -1.6485 1.4535 1.4535 1.5011 1.5011 1.5355 1.5355 1.5975 1.5975 1.8089 1.8089 1.8251 1.8251 1.8684 1.8684 1.8963 1.8963 1.9565 1.9565 2.0338 2.0338 3.5891 3.5891 4.1671 4.1671 6.7870 6.7870 7.4188 7.4188 7.7620 7.7620 7.9931 7.9931 9.6588 9.6588 10.9795 10.9795 11.0198 11.0198 12.1233 12.1233 k =-0.2406 0.5607 0.7746 ( 3973 PWs) bands (ev): -19.2834 -19.2834 -6.0442 -6.0442 -4.3028 -4.3028 -3.8050 -3.8050 -2.0069 -2.0069 -1.6484 -1.6484 1.4583 1.4583 1.5007 1.5007 1.5384 1.5384 1.5951 1.5951 1.8109 1.8109 1.8258 1.8258 1.8673 1.8673 1.8964 1.8964 1.9524 1.9524 2.0307 2.0307 3.5753 3.5753 4.1606 4.1606 6.8146 6.8146 7.4665 7.4665 7.7883 7.7883 8.1068 8.1068 9.6321 9.6321 10.8863 10.8863 10.9820 10.9820 12.1099 12.1099 k =-0.2471 0.5758 0.7581 ( 3973 PWs) bands (ev): -19.2840 -19.2840 -6.0441 -6.0441 -4.3050 -4.3050 -3.7996 -3.7996 -2.0129 -2.0129 -1.6484 -1.6484 1.4627 1.4627 1.4994 1.4994 1.5418 1.5418 1.5927 1.5927 1.8127 1.8127 1.8261 1.8261 1.8663 1.8663 1.8971 1.8971 1.9488 1.9488 2.0280 2.0280 3.5639 3.5639 4.1553 4.1553 6.8381 6.8381 7.5061 7.5061 7.8093 7.8093 8.2112 8.2112 9.6105 9.6105 10.7691 10.7691 10.9831 10.9831 12.0937 12.0937 k =-0.2536 0.5909 0.7417 ( 3975 PWs) bands (ev): -19.2844 -19.2844 -6.0440 -6.0440 -4.3068 -4.3068 -3.7953 -3.7953 -2.0177 -2.0177 -1.6484 -1.6484 1.4666 1.4666 1.4977 1.4977 1.5453 1.5453 1.5903 1.5903 1.8143 1.8143 1.8262 1.8262 1.8655 1.8655 1.8981 1.8981 1.9457 1.9457 2.0256 2.0256 3.5549 3.5549 4.1510 4.1510 6.8568 6.8568 7.5373 7.5373 7.8255 7.8255 8.3012 8.3012 9.5939 9.5939 10.6682 10.6682 10.9875 10.9875 12.0433 12.0433 k =-0.2600 0.6060 0.7252 ( 3971 PWs) bands (ev): -19.2847 -19.2847 -6.0440 -6.0440 -4.3080 -4.3080 -3.7922 -3.7922 -2.0211 -2.0211 -1.6484 -1.6484 1.4699 1.4699 1.4958 1.4958 1.5484 1.5484 1.5882 1.5882 1.8155 1.8155 1.8262 1.8262 1.8647 1.8647 1.8993 1.8993 1.9434 1.9434 2.0238 2.0238 3.5485 3.5485 4.1480 4.1480 6.8705 6.8705 7.5598 7.5598 7.8371 7.8371 8.3713 8.3713 9.5821 9.5821 10.5899 10.5899 10.9929 10.9929 11.9887 11.9887 k =-0.2665 0.6211 0.7088 ( 3970 PWs) bands (ev): -19.2849 -19.2849 -6.0440 -6.0440 -4.3088 -4.3088 -3.7903 -3.7903 -2.0231 -2.0231 -1.6484 -1.6484 1.4722 1.4722 1.4943 1.4943 1.5505 1.5505 1.5867 1.5867 1.8162 1.8162 1.8261 1.8261 1.8643 1.8643 1.9001 1.9001 1.9419 1.9419 2.0227 2.0227 3.5446 3.5446 4.1461 4.1461 6.8788 6.8788 7.5734 7.5734 7.8441 7.8441 8.4162 8.4162 9.5751 9.5751 10.5399 10.5399 10.9973 10.9973 11.9532 11.9532 k =-0.2730 0.6362 0.6923 ( 3976 PWs) bands (ev): -19.2849 -19.2849 -6.0440 -6.0440 -4.3090 -4.3090 -3.7897 -3.7897 -2.0238 -2.0238 -1.6484 -1.6484 1.4730 1.4730 1.4938 1.4938 1.5513 1.5513 1.5861 1.5861 1.8165 1.8165 1.8261 1.8261 1.8641 1.8641 1.9004 1.9004 1.9414 1.9414 2.0223 2.0223 3.5433 3.5433 4.1455 4.1455 6.8816 6.8816 7.5779 7.5779 7.8465 7.8465 8.4316 8.4316 9.5728 9.5728 10.5227 10.5227 10.9989 10.9989 11.9410 11.9410 k =-0.2730 0.6362 0.6923 ( 3976 PWs) bands (ev): -19.2849 -19.2849 -6.0440 -6.0440 -4.3090 -4.3090 -3.7897 -3.7897 -2.0238 -2.0238 -1.6484 -1.6484 1.4730 1.4730 1.4938 1.4938 1.5513 1.5513 1.5861 1.5861 1.8165 1.8165 1.8261 1.8261 1.8641 1.8641 1.9004 1.9004 1.9414 1.9414 2.0223 2.0223 3.5433 3.5433 4.1455 4.1455 6.8816 6.8816 7.5779 7.5779 7.8465 7.8465 8.4316 8.4316 9.5728 9.5728 10.5227 10.5227 10.9989 10.9989 11.9410 11.9410 k =-0.2665 0.6211 0.6759 ( 3972 PWs) bands (ev): -19.2845 -19.2845 -6.0458 -6.0458 -4.3113 -4.3113 -3.7869 -3.7869 -2.0018 -2.0018 -1.6670 -1.6670 1.4776 1.4776 1.4923 1.4923 1.5579 1.5579 1.5850 1.5850 1.8180 1.8180 1.8256 1.8256 1.8660 1.8660 1.8950 1.8950 1.9481 1.9481 2.0061 2.0061 3.5552 3.5552 4.1231 4.1231 6.8268 6.8268 7.6084 7.6084 7.8601 7.8601 8.3866 8.3866 9.6233 9.6233 10.5221 10.5221 11.0742 11.0742 11.9885 11.9885 k =-0.2600 0.6059 0.6594 ( 3962 PWs) bands (ev): -19.2843 -19.2843 -6.0470 -6.0470 -4.3129 -4.3129 -3.7847 -3.7847 -1.9794 -1.9794 -1.6884 -1.6884 1.4816 1.4816 1.4901 1.4901 1.5635 1.5635 1.5828 1.5828 1.8190 1.8190 1.8238 1.8238 1.8695 1.8695 1.8891 1.8891 1.9576 1.9576 1.9904 1.9904 3.5738 3.5738 4.1042 4.1042 6.7708 6.7708 7.6390 7.6390 7.8753 7.8753 8.3386 8.3386 9.6789 9.6789 10.5247 10.5247 11.1493 11.1493 12.0404 12.0404 k =-0.2535 0.5908 0.6429 ( 3960 PWs) bands (ev): -19.2841 -19.2841 -6.0477 -6.0477 -4.3138 -4.3138 -3.7832 -3.7832 -1.9566 -1.9566 -1.7123 -1.7123 1.4844 1.4844 1.4878 1.4878 1.5678 1.5678 1.5796 1.5796 1.8197 1.8197 1.8214 1.8214 1.8737 1.8737 1.8834 1.8834 1.9661 1.9661 1.9788 1.9788 3.5981 3.5981 4.0892 4.0892 6.7146 6.7146 7.6699 7.6699 7.8921 7.8921 8.2877 8.2877 9.7388 9.7388 10.5303 10.5303 11.2239 11.2239 12.0962 12.0962 k =-0.2470 0.5756 0.6264 ( 3964 PWs) bands (ev): -19.2841 -19.2841 -6.0476 -6.0476 -4.3140 -4.3140 -3.7823 -3.7823 -1.9335 -1.9335 -1.7386 -1.7386 1.4826 1.4826 1.4890 1.4890 1.5697 1.5697 1.5764 1.5764 1.8179 1.8179 1.8210 1.8210 1.8748 1.8748 1.8814 1.8814 1.9591 1.9591 1.9859 1.9859 3.6274 3.6274 4.0783 4.0783 6.6591 6.6591 7.7010 7.7010 7.9104 7.9104 8.2346 8.2346 9.8019 9.8019 10.5384 10.5384 11.2975 11.2975 12.1552 12.1552 k =-0.2405 0.5605 0.6099 ( 3960 PWs) bands (ev): -19.2843 -19.2843 -6.0470 -6.0470 -4.3134 -4.3134 -3.7821 -3.7821 -1.9103 -1.9103 -1.7673 -1.7673 1.4785 1.4785 1.4912 1.4912 1.5667 1.5667 1.5758 1.5758 1.8155 1.8155 1.8207 1.8207 1.8708 1.8708 1.8853 1.8853 1.9488 1.9488 1.9995 1.9995 3.6607 3.6607 4.0719 4.0719 6.6052 6.6052 7.7323 7.7323 7.9299 7.9299 8.1798 8.1798 9.8674 9.8674 10.5487 10.5487 11.3697 11.3697 12.2161 12.2161 k =-0.2340 0.5453 0.5934 ( 3956 PWs) bands (ev): -19.2845 -19.2845 -6.0458 -6.0458 -4.3121 -4.3121 -3.7826 -3.7826 -1.8869 -1.8869 -1.7981 -1.7981 1.4737 1.4737 1.4930 1.4930 1.5609 1.5609 1.5759 1.5759 1.8137 1.8137 1.8190 1.8190 1.8674 1.8674 1.8895 1.8895 1.9413 1.9413 2.0140 2.0140 3.6973 3.6973 4.0702 4.0702 6.5536 6.5536 7.7640 7.7640 7.9497 7.9497 8.1245 8.1245 9.9345 9.9345 10.5606 10.5606 11.4397 11.4397 12.2775 12.2775 k =-0.2275 0.5302 0.5769 ( 3960 PWs) bands (ev): -19.2849 -19.2849 -6.0439 -6.0439 -4.3100 -4.3100 -3.7836 -3.7836 -1.8638 -1.8638 -1.8306 -1.8306 1.4684 1.4684 1.4941 1.4941 1.5539 1.5539 1.5749 1.5749 1.8122 1.8122 1.8156 1.8156 1.8658 1.8658 1.8929 1.8929 1.9376 1.9376 2.0285 2.0285 3.7363 3.7363 4.0736 4.0736 6.5052 6.5052 7.7959 7.7959 7.9666 7.9666 8.0724 8.0724 10.0022 10.0022 10.5739 10.5739 11.5070 11.5070 12.3386 12.3386 k =-0.2210 0.5150 0.5605 ( 3956 PWs) bands (ev): -19.2855 -19.2855 -6.0414 -6.0414 -4.3072 -4.3072 -3.7853 -3.7853 -1.8673 -1.8673 -1.8384 -1.8384 1.4626 1.4626 1.4946 1.4946 1.5464 1.5464 1.5727 1.5727 1.8077 1.8077 1.8140 1.8140 1.8661 1.8661 1.8951 1.8951 1.9379 1.9379 2.0425 2.0425 3.7768 3.7768 4.0823 4.0823 6.4609 6.4609 7.8280 7.8280 7.9634 7.9634 8.0414 8.0414 10.0696 10.0696 10.5880 10.5880 11.5707 11.5707 12.4006 12.4006 k =-0.2145 0.4999 0.5440 ( 3964 PWs) bands (ev): -19.2861 -19.2861 -6.0384 -6.0384 -4.3035 -4.3035 -3.7875 -3.7875 -1.9033 -1.9033 -1.8155 -1.8155 1.4563 1.4563 1.4944 1.4944 1.5385 1.5385 1.5695 1.5695 1.8002 1.8002 1.8147 1.8147 1.8681 1.8681 1.8964 1.8964 1.9416 1.9416 2.0558 2.0558 3.8181 3.8181 4.0965 4.0965 6.4214 6.4214 7.8587 7.8587 7.9227 7.9227 8.0503 8.0503 10.1356 10.1356 10.6024 10.6024 11.6300 11.6300 12.4647 12.4647 k =-0.2080 0.4847 0.5275 ( 3964 PWs) bands (ev): -19.2869 -19.2869 -6.0348 -6.0348 -4.2991 -4.2991 -3.7902 -3.7902 -1.9414 -1.9414 -1.7922 -1.7922 1.4498 1.4498 1.4935 1.4935 1.5304 1.5304 1.5654 1.5654 1.7916 1.7916 1.8162 1.8162 1.8711 1.8711 1.8976 1.8976 1.9478 1.9478 2.0680 2.0680 3.8591 3.8591 4.1165 4.1165 6.3876 6.3876 7.8549 7.8549 7.9025 7.9025 8.0748 8.0748 10.1992 10.1992 10.6166 10.6166 11.6841 11.6841 12.5314 12.5314 k =-0.2015 0.4696 0.5110 ( 3978 PWs) bands (ev): -19.2878 -19.2878 -6.0307 -6.0307 -4.2939 -4.2939 -3.7934 -3.7934 -1.9808 -1.9808 -1.7690 -1.7690 1.4430 1.4430 1.4918 1.4918 1.5222 1.5222 1.5606 1.5606 1.7824 1.7824 1.8182 1.8182 1.8749 1.8749 1.8991 1.8991 1.9558 1.9558 2.0790 2.0790 3.8992 3.8992 4.1424 4.1424 6.3602 6.3602 7.7979 7.7979 7.9326 7.9326 8.1042 8.1042 10.2591 10.2591 10.6303 10.6303 11.7321 11.7321 12.6004 12.6004 k =-0.1950 0.4545 0.4945 ( 3972 PWs) bands (ev): -19.2888 -19.2888 -6.0262 -6.0262 -4.2879 -4.2879 -3.7969 -3.7969 -2.0215 -2.0215 -1.7462 -1.7462 1.4361 1.4361 1.4895 1.4895 1.5141 1.5141 1.5555 1.5555 1.7732 1.7732 1.8205 1.8205 1.8794 1.8794 1.9013 1.9013 1.9649 1.9649 2.0886 2.0886 3.9375 3.9375 4.1743 4.1743 6.3402 6.3402 7.7363 7.7363 7.9666 7.9666 8.1364 8.1364 10.3141 10.3141 10.6429 10.6429 11.7733 11.7733 12.6712 12.6712 k =-0.1885 0.4393 0.4780 ( 3968 PWs) bands (ev): -19.2899 -19.2899 -6.0213 -6.0213 -4.2811 -4.2811 -3.8008 -3.8008 -2.0632 -2.0632 -1.7237 -1.7237 1.4291 1.4291 1.4864 1.4864 1.5061 1.5061 1.5501 1.5501 1.7642 1.7642 1.8228 1.8228 1.8843 1.8843 1.9041 1.9041 1.9749 1.9749 2.0967 2.0967 3.9731 3.9731 4.2123 4.2123 6.3282 6.3282 7.6738 7.6738 8.0016 8.0016 8.1707 8.1707 10.3629 10.3629 10.6540 10.6540 11.8070 11.8070 12.7430 12.7430 k =-0.1820 0.4242 0.4616 ( 3964 PWs) bands (ev): -19.2911 -19.2911 -6.0160 -6.0160 -4.2735 -4.2735 -3.8050 -3.8050 -2.1056 -2.1056 -1.7016 -1.7016 1.4222 1.4222 1.4827 1.4827 1.4983 1.4983 1.5446 1.5446 1.7554 1.7554 1.8251 1.8251 1.8897 1.8897 1.9074 1.9074 1.9856 1.9856 2.1032 2.1032 4.0053 4.0053 4.2565 4.2565 6.3250 6.3250 7.6112 7.6112 8.0374 8.0374 8.2069 8.2069 10.4042 10.4042 10.6633 10.6633 11.8329 11.8329 12.8150 12.8150 k =-0.1755 0.4090 0.4451 ( 3966 PWs) bands (ev): -19.2924 -19.2924 -6.0104 -6.0104 -4.2651 -4.2651 -3.8093 -3.8093 -2.1487 -2.1487 -1.6801 -1.6801 1.4152 1.4152 1.4782 1.4782 1.4910 1.4910 1.5392 1.5392 1.7470 1.7470 1.8273 1.8273 1.8952 1.8952 1.9112 1.9112 1.9968 1.9968 2.1082 2.1082 4.0334 4.0334 4.3067 4.3067 6.3312 6.3312 7.5489 7.5489 8.0737 8.0737 8.2446 8.2446 10.4365 10.4365 10.6703 10.6703 11.8510 11.8510 12.8857 12.8857 k =-0.1690 0.3939 0.4286 ( 3966 PWs) bands (ev): -19.2938 -19.2938 -6.0046 -6.0046 -4.2559 -4.2559 -3.8138 -3.8138 -2.1922 -2.1922 -1.6591 -1.6591 1.4084 1.4084 1.4729 1.4729 1.4842 1.4842 1.5338 1.5338 1.7390 1.7390 1.8294 1.8294 1.9009 1.9009 1.9154 1.9154 2.0083 2.0083 2.1118 2.1118 4.0569 4.0569 4.3630 4.3630 6.3471 6.3471 7.4872 7.4872 8.1105 8.1105 8.2840 8.2840 10.4588 10.4588 10.6749 10.6749 11.8616 11.8616 12.9533 12.9533 k =-0.1625 0.3787 0.4121 ( 3964 PWs) bands (ev): -19.2953 -19.2953 -5.9985 -5.9985 -4.2461 -4.2461 -3.8182 -3.8182 -2.2360 -2.2360 -1.6388 -1.6388 1.4017 1.4017 1.4669 1.4669 1.4779 1.4779 1.5284 1.5284 1.7315 1.7315 1.8315 1.8315 1.9066 1.9066 1.9198 1.9198 2.0202 2.0202 2.1140 2.1140 4.0755 4.0755 4.4252 4.4252 6.3732 6.3732 7.4263 7.4263 8.1478 8.1478 8.3246 8.3246 10.4702 10.4702 10.6766 10.6766 11.8651 11.8651 12.9791 12.9791 k =-0.1560 0.3636 0.3956 ( 3961 PWs) bands (ev): -19.2968 -19.2968 -5.9924 -5.9924 -4.2355 -4.2355 -3.8225 -3.8225 -2.2799 -2.2799 -1.6191 -1.6191 1.3953 1.3953 1.4604 1.4604 1.4722 1.4722 1.5232 1.5232 1.7244 1.7244 1.8335 1.8335 1.9121 1.9121 1.9244 1.9244 2.0322 2.0322 2.1150 2.1150 4.0890 4.0890 4.4931 4.4931 6.4096 6.4096 7.3665 7.3665 8.1854 8.1854 8.3666 8.3666 10.4703 10.4703 10.6754 10.6754 11.8623 11.8623 12.9066 12.9066 k =-0.1495 0.3484 0.3791 ( 3953 PWs) bands (ev): -19.2983 -19.2983 -5.9861 -5.9861 -4.2243 -4.2243 -3.8267 -3.8267 -2.3238 -2.3238 -1.6002 -1.6002 1.3890 1.3890 1.4536 1.4536 1.4667 1.4667 1.5183 1.5183 1.7179 1.7179 1.8356 1.8356 1.9172 1.9172 1.9290 1.9290 2.0442 2.0442 2.1151 2.1151 4.0974 4.0974 4.5666 4.5666 6.4560 6.4560 7.3079 7.3079 8.2232 8.2232 8.4096 8.4096 10.4590 10.4590 10.6711 10.6711 11.8538 11.8538 12.8259 12.8259 k =-0.1430 0.3333 0.3627 ( 3959 PWs) bands (ev): -19.2999 -19.2999 -5.9799 -5.9799 -4.2126 -4.2126 -3.8305 -3.8305 -2.3675 -2.3675 -1.5820 -1.5820 1.3830 1.3830 1.4468 1.4468 1.4612 1.4612 1.5135 1.5135 1.7119 1.7119 1.8376 1.8376 1.9220 1.9220 1.9335 1.9335 2.0559 2.0559 2.1147 2.1147 4.1010 4.1010 4.6453 4.6453 6.5123 6.5123 7.2506 7.2506 8.2610 8.2610 8.4537 8.4537 10.4368 10.4368 10.6636 10.6636 11.8401 11.8401 12.7387 12.7387 k =-0.1365 0.3181 0.3462 ( 3963 PWs) bands (ev): -19.3016 -19.3016 -5.9737 -5.9737 -4.2005 -4.2005 -3.8339 -3.8339 -2.4110 -2.4110 -1.5646 -1.5646 1.3774 1.3774 1.4401 1.4401 1.4556 1.4556 1.5090 1.5090 1.7065 1.7065 1.8395 1.8395 1.9264 1.9264 1.9378 1.9378 2.0667 2.0667 2.1145 2.1145 4.1001 4.1001 4.7290 4.7290 6.5779 6.5779 7.1949 7.1949 8.2989 8.2989 8.4985 8.4985 10.4044 10.4044 10.6528 10.6528 11.8213 11.8213 12.6423 12.6423 k =-0.1300 0.3030 0.3297 ( 3963 PWs) bands (ev): -19.3032 -19.3032 -5.9675 -5.9675 -4.1880 -4.1880 -3.8367 -3.8367 -2.4539 -2.4539 -1.5480 -1.5480 1.3719 1.3719 1.4336 1.4336 1.4500 1.4500 1.5048 1.5048 1.7016 1.7016 1.8415 1.8415 1.9305 1.9305 1.9416 1.9416 2.0758 2.0758 2.1155 2.1155 4.0951 4.0951 4.8174 4.8174 6.6524 6.6524 7.1410 7.1410 8.3365 8.3365 8.5439 8.5439 10.3632 10.3632 10.6387 10.6387 11.7976 11.7976 12.5411 12.5411 k =-0.1235 0.2878 0.3132 ( 3955 PWs) bands (ev): -19.3049 -19.3049 -5.9615 -5.9615 -4.1754 -4.1754 -3.8388 -3.8388 -2.4963 -2.4963 -1.5323 -1.5323 1.3668 1.3668 1.4273 1.4273 1.4442 1.4442 1.5010 1.5010 1.6973 1.6973 1.8434 1.8434 1.9343 1.9343 1.9448 1.9448 2.0819 2.0819 2.1192 2.1192 4.0867 4.0867 4.9100 4.9100 6.7350 6.7350 7.0889 7.0889 8.3737 8.3737 8.5897 8.5897 10.3145 10.3145 10.6211 10.6211 11.7683 11.7683 12.4399 12.4399 k =-0.1170 0.2727 0.2967 ( 3951 PWs) bands (ev): -19.3065 -19.3065 -5.9557 -5.9557 -4.1627 -4.1627 -3.8400 -3.8400 -2.5381 -2.5381 -1.5174 -1.5174 1.3619 1.3619 1.4212 1.4212 1.4383 1.4383 1.4977 1.4977 1.6936 1.6936 1.8452 1.8452 1.9377 1.9377 1.9473 1.9473 2.0845 2.0845 2.1263 2.1263 4.0753 4.0753 5.0066 5.0066 6.8247 6.8247 7.0392 7.0392 8.4105 8.4105 8.6357 8.6357 10.2598 10.2598 10.6000 10.6000 11.7327 11.7327 12.3407 12.3407 k =-0.1105 0.2575 0.2802 ( 3957 PWs) bands (ev): -19.3081 -19.3081 -5.9500 -5.9500 -4.1503 -4.1503 -3.8402 -3.8402 -2.5790 -2.5790 -1.5034 -1.5034 1.3573 1.3573 1.4153 1.4153 1.4323 1.4323 1.4947 1.4947 1.6904 1.6904 1.8470 1.8470 1.9405 1.9405 1.9492 1.9492 2.0845 2.0845 2.1357 2.1357 4.0616 4.0616 5.1068 5.1068 6.9183 6.9183 6.9947 6.9947 8.4466 8.4466 8.6816 8.6816 10.2007 10.2007 10.5750 10.5750 11.6893 11.6893 12.2440 12.2440 k =-0.1040 0.2424 0.2637 ( 3953 PWs) bands (ev): -19.3098 -19.3098 -5.9446 -5.9446 -4.1382 -4.1382 -3.8393 -3.8393 -2.6191 -2.6191 -1.4902 -1.4902 1.3529 1.3529 1.4096 1.4096 1.4264 1.4264 1.4922 1.4922 1.6878 1.6878 1.8486 1.8486 1.9424 1.9424 1.9506 1.9506 2.0835 2.0835 2.1464 2.1464 4.0460 4.0460 5.2100 5.2100 6.9381 6.9381 7.0323 7.0323 8.4818 8.4818 8.7272 8.7272 10.1386 10.1386 10.5459 10.5459 11.6366 11.6366 12.1487 12.1487 k =-0.0975 0.2272 0.2473 ( 3957 PWs) bands (ev): -19.3113 -19.3113 -5.9395 -5.9395 -4.1268 -4.1268 -3.8369 -3.8369 -2.6581 -2.6581 -1.4780 -1.4780 1.3488 1.3488 1.4040 1.4040 1.4206 1.4206 1.4900 1.4900 1.6858 1.6858 1.8500 1.8500 1.9428 1.9428 1.9522 1.9522 2.0823 2.0823 2.1574 2.1574 4.0292 4.0292 5.3159 5.3159 6.8969 6.8969 7.1386 7.1386 8.5161 8.5161 8.7721 8.7721 10.0747 10.0747 10.5121 10.5121 11.5728 11.5728 12.0512 12.0512 k =-0.0910 0.2121 0.2308 ( 3953 PWs) bands (ev): -19.3129 -19.3129 -5.9347 -5.9347 -4.1162 -4.1162 -3.8332 -3.8332 -2.6961 -2.6961 -1.4665 -1.4665 1.3450 1.3450 1.3985 1.3985 1.4151 1.4151 1.4882 1.4882 1.6843 1.6843 1.8513 1.8513 1.9417 1.9417 1.9542 1.9542 2.0812 2.0812 2.1685 2.1685 4.0115 4.0115 5.4238 5.4238 6.8560 6.8560 7.2520 7.2520 8.5492 8.5492 8.8162 8.8162 10.0101 10.0101 10.4732 10.4732 11.4971 11.4971 11.9494 11.9494 k =-0.0845 0.1969 0.2143 ( 3957 PWs) bands (ev): -19.3143 -19.3143 -5.9301 -5.9301 -4.1065 -4.1065 -3.8279 -3.8279 -2.7327 -2.7327 -1.4560 -1.4560 1.3414 1.3414 1.3930 1.3930 1.4098 1.4098 1.4867 1.4867 1.6834 1.6834 1.8523 1.8523 1.9392 1.9392 1.9564 1.9564 2.0805 2.0805 2.1794 2.1794 3.9935 3.9935 5.5331 5.5331 6.8171 6.8171 7.3700 7.3700 8.5811 8.5811 8.8591 8.8591 9.9459 9.9459 10.4285 10.4285 11.4098 11.4098 11.8458 11.8458 k =-0.0780 0.1818 0.1978 ( 3953 PWs) bands (ev): -19.3157 -19.3157 -5.9259 -5.9259 -4.0980 -4.0980 -3.8211 -3.8211 -2.7680 -2.7680 -1.4463 -1.4463 1.3381 1.3381 1.3876 1.3876 1.4050 1.4050 1.4855 1.4855 1.6831 1.6831 1.8529 1.8529 1.9358 1.9358 1.9586 1.9586 2.0802 2.0802 2.1898 2.1898 3.9754 3.9754 5.6432 5.6432 6.7806 6.7806 7.4916 7.4916 8.6116 8.6116 8.9005 8.9005 9.8828 9.8828 10.3776 10.3776 11.3125 11.3125 11.7438 11.7438 k =-0.0715 0.1666 0.1813 ( 3953 PWs) bands (ev): -19.3171 -19.3171 -5.9221 -5.9221 -4.0906 -4.0906 -3.8129 -3.8129 -2.8018 -2.8018 -1.4374 -1.4374 1.3350 1.3350 1.3822 1.3822 1.4006 1.4006 1.4846 1.4846 1.6832 1.6832 1.8532 1.8532 1.9318 1.9318 1.9607 1.9607 2.0803 2.0803 2.1998 2.1998 3.9577 3.9577 5.7531 5.7531 6.7468 6.7468 7.6160 7.6160 8.6405 8.6405 8.9400 8.9400 9.8213 9.8213 10.3201 10.3201 11.2072 11.2072 11.6465 11.6465 k =-0.0650 0.1515 0.1648 ( 3949 PWs) bands (ev): -19.3183 -19.3183 -5.9185 -5.9185 -4.0845 -4.0845 -3.8035 -3.8035 -2.8338 -2.8338 -1.4294 -1.4294 1.3322 1.3322 1.3770 1.3770 1.3968 1.3968 1.4839 1.4839 1.6838 1.6838 1.8530 1.8530 1.9274 1.9274 1.9627 1.9627 2.0807 2.0807 2.2091 2.2091 3.9406 3.9406 5.8620 5.8620 6.7156 6.7156 7.7425 7.7425 8.6680 8.6680 8.9774 8.9774 9.7619 9.7619 10.2561 10.2561 11.0964 11.0964 11.5565 11.5565 k =-0.0585 0.1363 0.1484 ( 3953 PWs) bands (ev): -19.3195 -19.3195 -5.9153 -5.9153 -4.0794 -4.0794 -3.7931 -3.7931 -2.8640 -2.8640 -1.4222 -1.4222 1.3297 1.3297 1.3719 1.3719 1.3934 1.3934 1.4833 1.4833 1.6847 1.6847 1.8523 1.8523 1.9231 1.9231 1.9644 1.9644 2.0814 2.0814 2.2178 2.2178 3.9244 3.9244 5.9686 5.9686 6.6873 6.6873 7.8702 7.8702 8.6939 8.6939 9.0124 9.0124 9.7047 9.7047 10.1862 10.1862 10.9821 10.9821 11.4756 11.4756 k =-0.0520 0.1212 0.1319 ( 3959 PWs) bands (ev): -19.3205 -19.3205 -5.9125 -5.9125 -4.0753 -4.0753 -3.7821 -3.7821 -2.8921 -2.8921 -1.4158 -1.4158 1.3274 1.3274 1.3671 1.3671 1.3905 1.3905 1.4829 1.4829 1.6860 1.6860 1.8511 1.8511 1.9189 1.9189 1.9661 1.9661 2.0821 2.0821 2.2257 2.2257 3.9094 3.9094 6.0717 6.0717 6.6619 6.6619 7.9978 7.9978 8.7184 8.7184 9.0446 9.0446 9.6499 9.6499 10.1117 10.1117 10.8666 10.8666 11.4049 11.4049 k =-0.0455 0.1060 0.1154 ( 3955 PWs) bands (ev): -19.3215 -19.3215 -5.9100 -5.9100 -4.0722 -4.0722 -3.7708 -3.7708 -2.9179 -2.9179 -1.4102 -1.4102 1.3253 1.3253 1.3627 1.3627 1.3880 1.3880 1.4827 1.4827 1.6876 1.6876 1.8494 1.8494 1.9152 1.9152 1.9675 1.9675 2.0830 2.0830 2.2329 2.2329 3.8957 3.8957 6.1696 6.1696 6.6397 6.6397 8.1240 8.1240 8.7418 8.7418 9.0739 9.0739 9.5972 9.5972 10.0349 10.0349 10.7521 10.7521 11.3446 11.3446 k =-0.0390 0.0909 0.0989 ( 3951 PWs) bands (ev): -19.3223 -19.3223 -5.9078 -5.9078 -4.0697 -4.0697 -3.7598 -3.7598 -2.9412 -2.9412 -1.4053 -1.4053 1.3236 1.3236 1.3587 1.3587 1.3858 1.3858 1.4825 1.4825 1.6893 1.6893 1.8473 1.8473 1.9121 1.9121 1.9688 1.9688 2.0839 2.0839 2.2392 2.2392 3.8835 3.8835 6.2605 6.2605 6.6207 6.6207 8.2467 8.2467 8.7647 8.7647 9.1000 9.1000 9.5461 9.5461 9.9584 9.9584 10.6411 10.6411 11.2945 11.2945 k =-0.0325 0.0757 0.0824 ( 3957 PWs) bands (ev): -19.3230 -19.3230 -5.9060 -5.9060 -4.0679 -4.0679 -3.7494 -3.7494 -2.9616 -2.9616 -1.4012 -1.4012 1.3221 1.3221 1.3552 1.3552 1.3840 1.3840 1.4824 1.4824 1.6911 1.6911 1.8449 1.8449 1.9095 1.9095 1.9699 1.9699 2.0847 2.0847 2.2446 2.2446 3.8729 3.8729 6.3420 6.3420 6.6054 6.6054 8.3629 8.3629 8.7883 8.7883 9.1228 9.1228 9.4959 9.4959 9.8855 9.8855 10.5365 10.5365 11.2540 11.2540 k =-0.0260 0.0606 0.0659 ( 3957 PWs) bands (ev): -19.3236 -19.3236 -5.9045 -5.9045 -4.0666 -4.0666 -3.7401 -3.7401 -2.9788 -2.9788 -1.3979 -1.3979 1.3208 1.3208 1.3523 1.3523 1.3826 1.3826 1.4823 1.4823 1.6928 1.6928 1.8425 1.8425 1.9075 1.9075 1.9707 1.9707 2.0855 2.0855 2.2491 2.2491 3.8641 3.8641 6.4115 6.4115 6.5944 6.5944 8.4679 8.4679 8.8149 8.8149 9.1421 9.1421 9.4459 9.4459 9.8196 9.8196 10.4419 10.4419 11.2224 11.2224 k =-0.0195 0.0454 0.0495 ( 3953 PWs) bands (ev): -19.3241 -19.3241 -5.9033 -5.9033 -4.0657 -4.0657 -3.7324 -3.7324 -2.9926 -2.9926 -1.3953 -1.3953 1.3199 1.3199 1.3499 1.3499 1.3815 1.3815 1.4823 1.4823 1.6943 1.6943 1.8403 1.8403 1.9061 1.9061 1.9714 1.9714 2.0861 2.0861 2.2526 2.2526 3.8572 3.8572 6.4655 6.4655 6.5889 6.5889 8.5547 8.5547 8.8474 8.8474 9.1582 9.1582 9.3955 9.3955 9.7640 9.7640 10.3615 10.3615 11.1987 11.1987 k =-0.0130 0.0303 0.0330 ( 3953 PWs) bands (ev): -19.3244 -19.3244 -5.9025 -5.9025 -4.0651 -4.0651 -3.7265 -3.7265 -3.0027 -3.0027 -1.3935 -1.3935 1.3192 1.3192 1.3482 1.3482 1.3807 1.3807 1.4823 1.4823 1.6955 1.6955 1.8384 1.8384 1.9051 1.9051 1.9720 1.9720 2.0865 2.0865 2.2551 2.2551 3.8521 3.8521 6.5004 6.5004 6.5905 6.5905 8.6162 8.6162 8.8869 8.8869 9.1715 9.1715 9.3464 9.3464 9.7218 9.7218 10.2996 10.2996 11.1823 11.1823 k =-0.0065 0.0151 0.0165 ( 3949 PWs) bands (ev): -19.3246 -19.3246 -5.9020 -5.9020 -4.0648 -4.0648 -3.7229 -3.7229 -3.0089 -3.0089 -1.3924 -1.3924 1.3188 1.3188 1.3472 1.3472 1.3803 1.3803 1.4823 1.4823 1.6963 1.6963 1.8373 1.8373 1.9046 1.9046 1.9722 1.9722 2.0868 2.0868 2.2567 2.2567 3.8491 3.8491 6.5167 6.5167 6.5970 6.5970 8.6505 8.6505 8.9243 8.9243 9.1824 9.1824 9.3048 9.3048 9.6954 9.6954 10.2605 10.2605 11.1727 11.1727 k = 0.0000 0.0000 0.0000 ( 3951 PWs) bands (ev): -19.3247 -19.3247 -5.9019 -5.9019 -4.0646 -4.0646 -3.7217 -3.7217 -3.0109 -3.0109 -1.3920 -1.3920 1.3186 1.3186 1.3469 1.3469 1.3801 1.3801 1.4823 1.4823 1.6966 1.6966 1.8369 1.8369 1.9044 1.9044 1.9723 1.9723 2.0869 2.0869 2.2572 2.2572 3.8481 3.8481 6.5208 6.5208 6.6005 6.6005 8.6612 8.6612 8.9406 8.9406 9.1878 9.1878 9.2864 9.2864 9.6864 9.6864 10.2471 10.2471 11.1695 11.1695 k = 0.0000 0.0000 0.0000 ( 3951 PWs) bands (ev): -19.3247 -19.3247 -5.9019 -5.9019 -4.0646 -4.0646 -3.7217 -3.7217 -3.0109 -3.0109 -1.3920 -1.3920 1.3186 1.3186 1.3469 1.3469 1.3801 1.3801 1.4823 1.4823 1.6966 1.6966 1.8369 1.8369 1.9044 1.9044 1.9723 1.9723 2.0869 2.0869 2.2572 2.2572 3.8481 3.8481 6.5208 6.5208 6.6005 6.6005 8.6612 8.6612 8.9406 8.9406 9.1878 9.1878 9.2864 9.2864 9.6864 9.6864 10.2471 10.2471 11.1695 11.1695 k = 0.0208 0.0089-0.0000 ( 3947 PWs) bands (ev): -19.3247 -19.3247 -5.9020 -5.9020 -4.0654 -4.0654 -3.7217 -3.7217 -3.0089 -3.0089 -1.3936 -1.3936 1.3186 1.3186 1.3470 1.3470 1.3801 1.3801 1.4821 1.4821 1.6959 1.6959 1.8371 1.8371 1.9044 1.9044 1.9723 1.9723 2.0869 2.0869 2.2571 2.2571 3.8518 3.8518 6.5215 6.5215 6.6013 6.6013 8.6589 8.6589 8.9392 8.9392 9.1678 9.1678 9.2794 9.2794 9.6958 9.6958 10.2667 10.2667 11.1429 11.1429 k = 0.0417 0.0179-0.0000 ( 3943 PWs) bands (ev): -19.3246 -19.3246 -5.9022 -5.9022 -4.0674 -4.0674 -3.7217 -3.7217 -3.0030 -3.0030 -1.3985 -1.3985 1.3187 1.3187 1.3472 1.3472 1.3799 1.3799 1.4816 1.4816 1.6939 1.6939 1.8376 1.8376 1.9044 1.9044 1.9723 1.9723 2.0869 2.0869 2.2570 2.2570 3.8630 3.8630 6.5236 6.5236 6.6037 6.6037 8.6514 8.6514 8.9351 8.9351 9.1121 9.1121 9.2601 9.2601 9.7222 9.7222 10.3211 10.3211 11.0760 11.0760 k = 0.0625 0.0268-0.0000 ( 3943 PWs) bands (ev): -19.3246 -19.3246 -5.9026 -5.9026 -4.0708 -4.0708 -3.7217 -3.7217 -2.9931 -2.9931 -1.4066 -1.4066 1.3187 1.3187 1.3477 1.3477 1.3797 1.3797 1.4807 1.4807 1.6907 1.6907 1.8383 1.8383 1.9044 1.9044 1.9722 1.9722 2.0869 2.0869 2.2568 2.2568 3.8814 3.8814 6.5270 6.5270 6.6076 6.6076 8.6376 8.6376 8.9284 8.9284 9.0315 9.0315 9.2322 9.2322 9.7619 9.7619 10.4012 10.4012 10.9896 10.9896 k = 0.0833 0.0358-0.0000 ( 3951 PWs) bands (ev): -19.3246 -19.3246 -5.9031 -5.9031 -4.0754 -4.0754 -3.7217 -3.7217 -2.9796 -2.9796 -1.4177 -1.4177 1.3187 1.3187 1.3482 1.3482 1.3794 1.3794 1.4794 1.4794 1.6865 1.6865 1.8393 1.8393 1.9044 1.9044 1.9721 1.9721 2.0869 2.0869 2.2565 2.2565 3.9071 3.9071 6.5318 6.5318 6.6130 6.6130 8.6139 8.6139 8.9190 8.9190 8.9382 8.9382 9.1995 9.1995 9.8112 9.8112 10.4969 10.4969 10.8975 10.8975 k = 0.1042 0.0447-0.0000 ( 3947 PWs) bands (ev): -19.3246 -19.3246 -5.9038 -5.9038 -4.0811 -4.0811 -3.7217 -3.7217 -2.9625 -2.9625 -1.4320 -1.4320 1.3187 1.3187 1.3490 1.3490 1.3790 1.3790 1.4777 1.4777 1.6813 1.6813 1.8405 1.8405 1.9044 1.9044 1.9720 1.9720 2.0869 2.0869 2.2561 2.2561 3.9397 3.9397 6.5378 6.5378 6.6199 6.6199 8.5734 8.5734 8.8464 8.8464 8.9073 8.9073 9.1644 9.1644 9.8674 9.8674 10.5968 10.5968 10.8108 10.8108 k = 0.1250 0.0536-0.0000 ( 3955 PWs) bands (ev): -19.3246 -19.3246 -5.9046 -5.9046 -4.0876 -4.0876 -3.7217 -3.7217 -2.9420 -2.9420 -1.4492 -1.4492 1.3186 1.3186 1.3498 1.3498 1.3786 1.3786 1.4758 1.4758 1.6755 1.6755 1.8416 1.8416 1.9043 1.9043 1.9719 1.9719 2.0869 2.0869 2.2558 2.2558 3.9790 3.9790 6.5450 6.5450 6.6281 6.6281 8.5051 8.5051 8.7714 8.7714 8.8933 8.8933 9.1286 9.1286 9.9290 9.9290 10.6497 10.6497 10.7795 10.7795 k = 0.1458 0.0626-0.0000 ( 3955 PWs) bands (ev): -19.3246 -19.3246 -5.9055 -5.9055 -4.0949 -4.0949 -3.7216 -3.7216 -2.9184 -2.9184 -1.4692 -1.4692 1.3186 1.3186 1.3508 1.3508 1.3782 1.3782 1.4735 1.4735 1.6691 1.6691 1.8429 1.8429 1.9043 1.9043 1.9717 1.9717 2.0869 2.0869 2.2553 2.2553 4.0247 4.0247 6.5533 6.5533 6.6375 6.6375 8.4057 8.4057 8.7198 8.7198 8.8772 8.8772 9.0932 9.0932 9.9947 9.9947 10.5896 10.5896 10.8684 10.8684 k = 0.1667 0.0715-0.0000 ( 3987 PWs) bands (ev): -19.3246 -19.3246 -5.9066 -5.9066 -4.1028 -4.1028 -3.7216 -3.7216 -2.8920 -2.8920 -1.4919 -1.4919 1.3187 1.3187 1.3520 1.3520 1.3775 1.3775 1.4707 1.4707 1.6623 1.6623 1.8441 1.8441 1.9043 1.9043 1.9714 1.9714 2.0869 2.0869 2.2548 2.2548 4.0765 4.0765 6.5625 6.5625 6.6481 6.6481 8.2846 8.2846 8.6844 8.6844 8.8594 8.8594 9.0586 9.0586 10.0640 10.0640 10.5086 10.5086 10.9847 10.9847 k = 0.1875 0.0805-0.0000 ( 4003 PWs) bands (ev): -19.3246 -19.3246 -5.9077 -5.9077 -4.1109 -4.1109 -3.7216 -3.7216 -2.8629 -2.8629 -1.5172 -1.5172 1.3186 1.3186 1.3533 1.3533 1.3769 1.3769 1.4677 1.4677 1.6554 1.6554 1.8452 1.8452 1.9042 1.9042 1.9712 1.9712 2.0868 2.0868 2.2543 2.2543 4.1341 4.1341 6.5726 6.5726 6.6597 6.6597 8.1519 8.1519 8.6570 8.6570 8.8400 8.8400 9.0255 9.0255 10.1362 10.1362 10.4285 10.4285 11.1056 11.1056 k = 0.2083 0.0894-0.0000 ( 3983 PWs) bands (ev): -19.3246 -19.3246 -5.9088 -5.9088 -4.1193 -4.1193 -3.7216 -3.7216 -2.8316 -2.8316 -1.5447 -1.5447 1.3186 1.3186 1.3547 1.3547 1.3763 1.3763 1.4644 1.4644 1.6486 1.6486 1.8464 1.8464 1.9043 1.9043 1.9710 1.9710 2.0869 2.0869 2.2539 2.2539 4.1969 4.1969 6.5835 6.5835 6.6721 6.6721 8.0132 8.0132 8.6333 8.6333 8.8194 8.8194 8.9940 8.9940 10.2109 10.2109 10.3522 10.3522 11.2275 11.2275 k = 0.2292 0.0983-0.0000 ( 3987 PWs) bands (ev): -19.3246 -19.3246 -5.9100 -5.9100 -4.1277 -4.1277 -3.7216 -3.7216 -2.7982 -2.7982 -1.5744 -1.5744 1.3186 1.3186 1.3563 1.3563 1.3757 1.3757 1.4608 1.4608 1.6419 1.6419 1.8474 1.8474 1.9042 1.9042 1.9707 1.9707 2.0869 2.0869 2.2535 2.2535 4.2647 4.2647 6.5949 6.5949 6.6852 6.6852 7.8717 7.8717 8.6114 8.6114 8.7979 8.7979 8.9643 8.9643 10.2808 10.2808 10.2878 10.2878 11.3490 11.3490 k = 0.2500 0.1073-0.0000 ( 3987 PWs) bands (ev): -19.3246 -19.3246 -5.9113 -5.9113 -4.1360 -4.1360 -3.7216 -3.7216 -2.7630 -2.7630 -1.6060 -1.6060 1.3186 1.3186 1.3580 1.3580 1.3751 1.3751 1.4570 1.4570 1.6355 1.6355 1.8484 1.8484 1.9042 1.9042 1.9705 1.9705 2.0868 2.0868 2.2531 2.2531 4.3368 4.3368 6.6066 6.6066 6.6987 6.6987 7.7293 7.7293 8.5905 8.5905 8.7758 8.7758 8.9365 8.9365 10.2144 10.2144 10.3664 10.3664 11.4691 11.4691 k = 0.2708 0.1162-0.0000 ( 3987 PWs) bands (ev): -19.3246 -19.3246 -5.9125 -5.9125 -4.1440 -4.1440 -3.7216 -3.7216 -2.7264 -2.7264 -1.6392 -1.6392 1.3186 1.3186 1.3598 1.3598 1.3745 1.3745 1.4530 1.4530 1.6294 1.6294 1.8492 1.8492 1.9042 1.9042 1.9703 1.9703 2.0868 2.0868 2.2527 2.2527 4.4128 4.4128 6.6185 6.6185 6.7125 6.7125 7.5874 7.5874 8.5704 8.5704 8.7536 8.7536 8.9108 8.9108 10.1533 10.1533 10.4465 10.4465 11.5871 11.5871 k = 0.2917 0.1252-0.0000 ( 3995 PWs) bands (ev): -19.3246 -19.3246 -5.9137 -5.9137 -4.1517 -4.1517 -3.7216 -3.7216 -2.6887 -2.6887 -1.6739 -1.6739 1.3186 1.3186 1.3616 1.3616 1.3739 1.3739 1.4488 1.4488 1.6238 1.6238 1.8500 1.8500 1.9041 1.9041 1.9701 1.9701 2.0867 2.0867 2.2523 2.2523 4.4921 4.4921 6.6305 6.6305 6.7263 6.7263 7.4471 7.4471 8.5510 8.5510 8.7315 8.7315 8.8873 8.8873 10.0975 10.0975 10.5275 10.5275 11.7020 11.7020 k = 0.3125 0.1341-0.0000 ( 4000 PWs) bands (ev): -19.3246 -19.3246 -5.9148 -5.9148 -4.1589 -4.1589 -3.7216 -3.7216 -2.6502 -2.6502 -1.7095 -1.7095 1.3186 1.3186 1.3637 1.3637 1.3733 1.3733 1.4445 1.4445 1.6186 1.6186 1.8507 1.8507 1.9041 1.9041 1.9698 1.9698 2.0867 2.0867 2.2520 2.2520 4.5738 4.5738 6.6421 6.6421 6.7399 6.7399 7.3096 7.3096 8.5324 8.5324 8.7100 8.7100 8.8659 8.8659 10.0471 10.0471 10.6088 10.6088 11.8130 11.8130 k = 0.3333 0.1430-0.0000 ( 4008 PWs) bands (ev): -19.3246 -19.3246 -5.9159 -5.9159 -4.1656 -4.1656 -3.7215 -3.7215 -2.6113 -2.6113 -1.7459 -1.7459 1.3186 1.3186 1.3657 1.3657 1.3727 1.3727 1.4401 1.4401 1.6139 1.6139 1.8513 1.8513 1.9041 1.9041 1.9696 1.9696 2.0867 2.0867 2.2516 2.2516 4.6572 4.6572 6.6534 6.6534 6.7530 6.7530 7.1760 7.1760 8.5148 8.5148 8.6894 8.6894 8.8466 8.8466 10.0020 10.0020 10.6899 10.6899 11.9192 11.9192 k = 0.3542 0.1520-0.0000 ( 4008 PWs) bands (ev): -19.3246 -19.3246 -5.9170 -5.9170 -4.1716 -4.1716 -3.7215 -3.7215 -2.5726 -2.5726 -1.7824 -1.7824 1.3186 1.3186 1.3679 1.3679 1.3722 1.3722 1.4359 1.4359 1.6098 1.6098 1.8518 1.8518 1.9041 1.9041 1.9694 1.9694 2.0867 2.0867 2.2514 2.2514 4.7409 4.7409 6.6639 6.6639 6.7654 6.7654 7.0477 7.0477 8.4986 8.4986 8.6701 8.6701 8.8296 8.8296 9.9623 9.9623 10.7696 10.7696 12.0193 12.0193 k = 0.3750 0.1609-0.0000 ( 4008 PWs) bands (ev): -19.3246 -19.3246 -5.9179 -5.9179 -4.1770 -4.1770 -3.7215 -3.7215 -2.5345 -2.5345 -1.8185 -1.8185 1.3186 1.3186 1.3701 1.3701 1.3717 1.3717 1.4317 1.4317 1.6063 1.6063 1.8523 1.8523 1.9040 1.9040 1.9692 1.9692 2.0867 2.0867 2.2511 2.2511 4.8236 4.8236 6.6734 6.6734 6.7767 6.7767 6.9264 6.9264 8.4838 8.4838 8.6525 8.6525 8.8149 8.8149 9.9280 9.9280 10.8468 10.8468 12.1121 12.1121 k = 0.3958 0.1699-0.0000 ( 4000 PWs) bands (ev): -19.3246 -19.3246 -5.9187 -5.9187 -4.1816 -4.1816 -3.7215 -3.7215 -2.4980 -2.4980 -1.8533 -1.8533 1.3186 1.3186 1.3713 1.3713 1.3722 1.3722 1.4278 1.4278 1.6033 1.6033 1.8526 1.8526 1.9040 1.9040 1.9691 1.9691 2.0867 2.0867 2.2509 2.2509 4.9032 4.9032 6.6813 6.6813 6.7869 6.7869 6.8144 6.8144 8.4709 8.4709 8.6369 8.6369 8.8024 8.8024 9.8989 9.8989 10.9198 10.9198 12.1958 12.1958 k = 0.4167 0.1788-0.0000 ( 4008 PWs) bands (ev): -19.3246 -19.3246 -5.9194 -5.9194 -4.1854 -4.1854 -3.7215 -3.7215 -2.4641 -2.4641 -1.8859 -1.8859 1.3186 1.3186 1.3709 1.3709 1.3743 1.3743 1.4242 1.4242 1.6008 1.6008 1.8529 1.8529 1.9040 1.9040 1.9690 1.9690 2.0867 2.0867 2.2507 2.2507 4.9771 4.9771 6.6835 6.6835 6.7187 6.7187 6.7955 6.7955 8.4599 8.4599 8.6237 8.6237 8.7921 8.7921 9.8752 9.8752 10.9863 10.9863 12.2688 12.2688 k = 0.4375 0.1877-0.0000 ( 4008 PWs) bands (ev): -19.3246 -19.3246 -5.9199 -5.9199 -4.1884 -4.1884 -3.7215 -3.7215 -2.4343 -2.4343 -1.9147 -1.9147 1.3186 1.3186 1.3706 1.3706 1.3761 1.3761 1.4211 1.4211 1.5989 1.5989 1.8532 1.8532 1.9040 1.9040 1.9689 1.9689 2.0867 2.0867 2.2506 2.2506 5.0417 5.0417 6.6235 6.6235 6.6988 6.6988 6.8025 6.8025 8.4511 8.4511 8.6131 8.6131 8.7841 8.7841 9.8568 9.8568 11.0437 11.0437 12.3289 12.3289 k = 0.4583 0.1967-0.0000 ( 4004 PWs) bands (ev): -19.3246 -19.3246 -5.9203 -5.9203 -4.1906 -4.1906 -3.7215 -3.7215 -2.4104 -2.4104 -1.9378 -1.9378 1.3186 1.3186 1.3705 1.3705 1.3777 1.3777 1.4186 1.4186 1.5976 1.5976 1.8533 1.8533 1.9040 1.9040 1.9689 1.9689 2.0867 2.0867 2.2505 2.2505 5.0930 5.0930 6.5584 6.5584 6.7018 6.7018 6.8076 6.8076 8.4448 8.4448 8.6054 8.6054 8.7784 8.7784 9.8436 9.8436 11.0884 11.0884 12.3739 12.3739 k = 0.4792 0.2056-0.0000 ( 4004 PWs) bands (ev): -19.3246 -19.3246 -5.9205 -5.9205 -4.1919 -4.1919 -3.7215 -3.7215 -2.3948 -2.3948 -1.9530 -1.9530 1.3186 1.3186 1.3704 1.3704 1.3787 1.3787 1.4170 1.4170 1.5968 1.5968 1.8534 1.8534 1.9040 1.9040 1.9688 1.9688 2.0867 2.0867 2.2504 2.2504 5.1263 5.1263 6.5163 6.5163 6.7042 6.7042 6.8107 6.8107 8.4409 8.4409 8.6007 8.6007 8.7750 8.7750 9.8357 9.8357 11.1172 11.1172 12.4018 12.4018 k = 0.5000 0.2146-0.0000 ( 3988 PWs) bands (ev): -19.3246 -19.3246 -5.9206 -5.9206 -4.1923 -4.1923 -3.7215 -3.7215 -2.3893 -2.3893 -1.9583 -1.9583 1.3186 1.3186 1.3704 1.3704 1.3791 1.3791 1.4166 1.4166 1.5966 1.5966 1.8535 1.8535 1.9040 1.9040 1.9688 1.9688 2.0867 2.0867 2.2504 2.2504 5.1378 5.1378 6.5018 6.5018 6.7050 6.7050 6.8118 6.8118 8.4396 8.4396 8.5991 8.5991 8.7739 8.7739 9.8331 9.8331 11.1271 11.1271 12.4113 12.4113 k = 0.5000 0.2146-0.0000 ( 3988 PWs) bands (ev): -19.3246 -19.3246 -5.9206 -5.9206 -4.1923 -4.1923 -3.7215 -3.7215 -2.3893 -2.3893 -1.9583 -1.9583 1.3186 1.3186 1.3704 1.3704 1.3791 1.3791 1.4166 1.4166 1.5966 1.5966 1.8535 1.8535 1.9040 1.9040 1.9688 1.9688 2.0867 2.0867 2.2504 2.2504 5.1378 5.1378 6.5018 6.5018 6.7050 6.7050 6.8118 6.8118 8.4396 8.4396 8.5991 8.5991 8.7739 8.7739 9.8331 9.8331 11.1271 11.1271 12.4113 12.4113 k = 0.4935 0.2297 0.0164 ( 4002 PWs) bands (ev): -19.3245 -19.3245 -5.9207 -5.9207 -4.1922 -4.1922 -3.7224 -3.7224 -2.3891 -2.3891 -1.9571 -1.9571 1.3187 1.3187 1.3705 1.3705 1.3792 1.3792 1.4169 1.4169 1.5968 1.5968 1.8535 1.8535 1.9040 1.9040 1.9687 1.9687 2.0865 2.0865 2.2499 2.2499 5.1368 5.1368 6.4977 6.4977 6.7017 6.7017 6.8078 6.8078 8.4380 8.4380 8.5975 8.5975 8.7831 8.7831 9.8402 9.8402 11.1278 11.1278 12.4033 12.4033 k = 0.4870 0.2448 0.0329 ( 3998 PWs) bands (ev): -19.3243 -19.3243 -5.9211 -5.9211 -4.1918 -4.1918 -3.7250 -3.7250 -2.3885 -2.3885 -1.9536 -1.9536 1.3191 1.3191 1.3707 1.3707 1.3797 1.3797 1.4181 1.4181 1.5975 1.5975 1.8538 1.8538 1.9040 1.9040 1.9685 1.9685 2.0861 2.0861 2.2484 2.2484 5.1335 5.1335 6.4830 6.4830 6.6917 6.6917 6.7995 6.7995 8.4331 8.4331 8.5930 8.5930 8.8098 8.8098 9.8615 9.8615 11.1296 11.1296 12.3780 12.3780 k = 0.4805 0.2599 0.0493 ( 3996 PWs) bands (ev): -19.3240 -19.3240 -5.9217 -5.9217 -4.1911 -4.1911 -3.7293 -3.7293 -2.3874 -2.3874 -1.9477 -1.9477 1.3198 1.3198 1.3712 1.3712 1.3806 1.3806 1.4202 1.4202 1.5987 1.5987 1.8542 1.8542 1.9040 1.9040 1.9681 1.9681 2.0854 2.0854 2.2458 2.2458 5.1281 5.1281 6.4510 6.4510 6.6780 6.6780 6.7937 6.7937 8.4241 8.4241 8.5867 8.5867 8.8506 8.8506 9.8971 9.8971 11.1320 11.1320 12.3371 12.3371 k = 0.4741 0.2750 0.0658 ( 3986 PWs) bands (ev): -19.3235 -19.3235 -5.9225 -5.9225 -4.1902 -4.1902 -3.7351 -3.7351 -2.3858 -2.3858 -1.9397 -1.9397 1.3207 1.3207 1.3718 1.3718 1.3819 1.3819 1.4229 1.4229 1.6004 1.6004 1.8548 1.8548 1.9041 1.9041 1.9675 1.9675 2.0844 2.0844 2.2423 2.2423 5.1205 5.1205 6.3944 6.3944 6.6682 6.6682 6.7934 6.7934 8.4100 8.4100 8.5804 8.5804 8.9016 8.9016 9.9467 9.9467 11.1337 11.1337 12.2833 12.2833 k = 0.4676 0.2901 0.0822 ( 3982 PWs) bands (ev): -19.3229 -19.3229 -5.9236 -5.9236 -4.1892 -4.1892 -3.7423 -3.7423 -2.3838 -2.3838 -1.9296 -1.9296 1.3218 1.3218 1.3726 1.3726 1.3837 1.3837 1.4264 1.4264 1.6025 1.6025 1.8554 1.8554 1.9043 1.9043 1.9668 1.9668 2.0832 2.0832 2.2379 2.2379 5.1106 5.1106 6.3128 6.3128 6.6673 6.6673 6.7983 6.7983 8.3900 8.3900 8.5754 8.5754 8.9587 8.9587 10.0098 10.0098 11.1334 11.1334 12.2195 12.2195 k = 0.4611 0.3052 0.0987 ( 3982 PWs) bands (ev): -19.3222 -19.3222 -5.9249 -5.9249 -4.1880 -4.1880 -3.7508 -3.7508 -2.3813 -2.3813 -1.9176 -1.9176 1.3232 1.3232 1.3736 1.3736 1.3858 1.3858 1.4304 1.4304 1.6051 1.6051 1.8562 1.8562 1.9045 1.9045 1.9659 1.9659 2.0817 2.0817 2.2324 2.2324 5.0986 5.0986 6.2115 6.2115 6.6749 6.6749 6.8070 6.8070 8.3641 8.3641 8.5728 8.5728 9.0184 9.0184 10.0852 10.0852 11.1289 11.1289 12.1481 12.1481 k = 0.4546 0.3203 0.1151 ( 3982 PWs) bands (ev): -19.3214 -19.3214 -5.9265 -5.9265 -4.1868 -4.1868 -3.7602 -3.7602 -2.3781 -2.3781 -1.9039 -1.9039 1.3249 1.3249 1.3749 1.3749 1.3883 1.3883 1.4351 1.4351 1.6081 1.6081 1.8569 1.8569 1.9050 1.9050 1.9649 1.9649 2.0799 2.0799 2.2261 2.2261 5.0842 5.0842 6.0964 6.0964 6.6887 6.6887 6.8188 6.8188 8.3328 8.3328 8.5728 8.5728 9.0784 9.0784 10.1710 10.1710 11.1182 11.1182 12.0712 12.0712 k = 0.4481 0.3355 0.1316 ( 3978 PWs) bands (ev): -19.3204 -19.3204 -5.9283 -5.9283 -4.1857 -4.1857 -3.7704 -3.7704 -2.3745 -2.3745 -1.8887 -1.8887 1.3269 1.3269 1.3765 1.3765 1.3913 1.3913 1.4402 1.4402 1.6115 1.6115 1.8577 1.8577 1.9058 1.9058 1.9636 1.9636 2.0780 2.0780 2.2189 2.2189 5.0676 5.0676 5.9719 5.9719 6.7074 6.7074 6.8331 6.8331 8.2974 8.2974 8.5752 8.5752 9.1375 9.1375 10.2646 10.2646 11.0997 11.0997 11.9904 11.9904 k = 0.4416 0.3506 0.1480 ( 3986 PWs) bands (ev): -19.3194 -19.3194 -5.9305 -5.9305 -4.1847 -4.1847 -3.7811 -3.7811 -2.3702 -2.3702 -1.8723 -1.8723 1.3292 1.3292 1.3784 1.3784 1.3945 1.3945 1.4458 1.4458 1.6154 1.6154 1.8583 1.8583 1.9069 1.9069 1.9623 1.9623 2.0759 2.0759 2.2108 2.2108 5.0486 5.0486 5.8412 5.8412 6.7297 6.7297 6.8497 6.8497 8.2590 8.2590 8.5796 8.5796 9.1949 9.1949 10.3621 10.3621 11.0730 11.0730 11.9070 11.9070 k = 0.4351 0.3657 0.1645 ( 3994 PWs) bands (ev): -19.3182 -19.3182 -5.9329 -5.9329 -4.1839 -4.1839 -3.7919 -3.7919 -2.3653 -2.3653 -1.8548 -1.8548 1.3317 1.3317 1.3806 1.3806 1.3980 1.3980 1.4518 1.4518 1.6196 1.6196 1.8587 1.8587 1.9083 1.9083 1.9607 1.9607 2.0736 2.0736 2.2020 2.2020 5.0274 5.0274 5.7067 5.7067 6.7551 6.7551 6.8684 6.8684 8.2188 8.2188 8.5856 8.5856 9.2507 9.2507 10.4580 10.4580 11.0409 11.0409 11.8223 11.8223 k = 0.4287 0.3808 0.1809 ( 3998 PWs) bands (ev): -19.3170 -19.3170 -5.9356 -5.9356 -4.1835 -4.1835 -3.8026 -3.8026 -2.3597 -2.3597 -1.8364 -1.8364 1.3346 1.3346 1.3833 1.3833 1.4018 1.4018 1.4582 1.4582 1.6243 1.6243 1.8588 1.8588 1.9102 1.9102 1.9590 1.9590 2.0713 2.0713 2.1924 2.1924 5.0038 5.0038 5.5701 5.5701 6.7828 6.7828 6.8890 6.8890 8.1779 8.1779 8.5929 8.5929 9.3051 9.3051 10.5426 10.5426 11.0118 11.0118 11.7370 11.7370 k = 0.4222 0.3959 0.1973 ( 3998 PWs) bands (ev): -19.3157 -19.3157 -5.9387 -5.9387 -4.1837 -4.1837 -3.8129 -3.8129 -2.3535 -2.3535 -1.8174 -1.8174 1.3377 1.3377 1.3865 1.3865 1.4058 1.4058 1.4648 1.4648 1.6294 1.6294 1.8586 1.8586 1.9125 1.9125 1.9571 1.9571 2.0691 2.0691 2.1823 2.1823 4.9779 4.9779 5.4327 5.4327 6.8124 6.8124 6.9113 6.9113 8.1372 8.1372 8.6010 8.6010 9.3581 9.3581 10.5979 10.5979 11.0036 11.0036 11.6521 11.6521 k = 0.4157 0.4110 0.2138 ( 3998 PWs) bands (ev): -19.3143 -19.3143 -5.9420 -5.9420 -4.1844 -4.1844 -3.8225 -3.8225 -2.3466 -2.3466 -1.7980 -1.7980 1.3412 1.3412 1.3901 1.3901 1.4100 1.4100 1.4716 1.4716 1.6349 1.6349 1.8581 1.8581 1.9152 1.9152 1.9551 1.9551 2.0669 2.0669 2.1715 2.1715 4.9497 4.9497 5.2957 5.2957 6.8434 6.8434 6.9354 6.9354 8.0974 8.0974 8.6099 8.6099 9.4099 9.4099 10.6046 10.6046 11.0371 11.0371 11.5685 11.5685 k = 0.4092 0.4261 0.2302 ( 3996 PWs) bands (ev): -19.3128 -19.3128 -5.9457 -5.9457 -4.1860 -4.1860 -3.8311 -3.8311 -2.3391 -2.3391 -1.7784 -1.7784 1.3450 1.3450 1.3942 1.3942 1.4145 1.4145 1.4787 1.4787 1.6408 1.6408 1.8573 1.8573 1.9182 1.9182 1.9529 1.9529 2.0651 2.0651 2.1602 2.1602 4.9189 4.9189 5.1602 5.1602 6.8753 6.8753 6.9611 6.9611 8.0592 8.0592 8.6192 8.6192 9.4603 9.4603 10.5664 10.5664 11.1101 11.1101 11.4874 11.4874 k = 0.4027 0.4413 0.2467 ( 3980 PWs) bands (ev): -19.3113 -19.3113 -5.9496 -5.9496 -4.1884 -4.1884 -3.8386 -3.8386 -2.3309 -2.3309 -1.7588 -1.7588 1.3493 1.3493 1.3987 1.3987 1.4190 1.4190 1.4858 1.4858 1.6470 1.6470 1.8563 1.8563 1.9212 1.9212 1.9505 1.9505 2.0636 2.0636 2.1485 2.1485 4.8851 4.8851 5.0276 5.0276 6.9078 6.9078 6.9882 6.9882 8.0228 8.0228 8.6286 8.6286 9.5091 9.5091 10.5032 10.5032 11.2024 11.2024 11.4123 11.4123 k = 0.3962 0.4564 0.2631 ( 3972 PWs) bands (ev): -19.3097 -19.3097 -5.9539 -5.9539 -4.1917 -4.1917 -3.8447 -3.8447 -2.3220 -2.3220 -1.7395 -1.7395 1.3539 1.3539 1.4037 1.4037 1.4238 1.4238 1.4930 1.4930 1.6536 1.6536 1.8550 1.8550 1.9241 1.9241 1.9480 1.9480 2.0627 2.0627 2.1363 2.1363 4.8432 4.8432 4.9037 4.9037 6.9403 6.9403 7.0167 7.0167 7.9889 7.9889 8.6380 8.6380 9.5552 9.5552 10.4298 10.4298 11.2710 11.2710 11.3750 11.3750 k = 0.3898 0.4715 0.2796 ( 3972 PWs) bands (ev): -19.3081 -19.3081 -5.9584 -5.9584 -4.1959 -4.1959 -3.8493 -3.8493 -2.3124 -2.3124 -1.7205 -1.7205 1.3588 1.3588 1.4091 1.4091 1.4286 1.4286 1.5001 1.5001 1.6606 1.6606 1.8534 1.8534 1.9265 1.9265 1.9454 1.9454 2.0625 2.0625 2.1239 2.1239 4.7534 4.7534 4.8290 4.8290 6.9724 6.9724 7.0462 7.0462 7.9575 7.9575 8.6471 8.6471 9.5971 9.5971 10.3553 10.3553 11.2301 11.2301 11.4563 11.4563 k = 0.3833 0.4866 0.2960 ( 3976 PWs) bands (ev): -19.3065 -19.3065 -5.9632 -5.9632 -4.2010 -4.2010 -3.8524 -3.8524 -2.3021 -2.3021 -1.7022 -1.7022 1.3640 1.3640 1.4150 1.4150 1.4335 1.4335 1.5072 1.5072 1.6679 1.6679 1.8517 1.8517 1.9282 1.9282 1.9427 1.9427 2.0631 2.0631 2.1112 2.1112 4.6332 4.6332 4.7868 4.7868 7.0039 7.0039 7.0765 7.0765 7.9290 7.9290 8.6556 8.6556 9.6323 9.6323 10.2865 10.2865 11.1621 11.1621 11.5715 11.5715 k = 0.3768 0.5017 0.3125 ( 3968 PWs) bands (ev): -19.3049 -19.3049 -5.9682 -5.9682 -4.2070 -4.2070 -3.8540 -3.8540 -2.2912 -2.2912 -1.6847 -1.6847 1.3697 1.3697 1.4213 1.4213 1.4386 1.4386 1.5141 1.5141 1.6755 1.6755 1.8499 1.8499 1.9289 1.9289 1.9399 1.9399 2.0646 2.0646 2.0985 2.0985 4.5135 4.5135 4.7468 4.7468 7.0343 7.0343 7.1070 7.1070 7.9034 7.9034 8.6632 8.6632 9.6567 9.6567 10.2301 10.2301 11.0937 11.0937 11.6927 11.6927 k = 0.3703 0.5168 0.3289 ( 3962 PWs) bands (ev): -19.3032 -19.3032 -5.9734 -5.9734 -4.2137 -4.2137 -3.8542 -3.8542 -2.2796 -2.2796 -1.6682 -1.6682 1.3756 1.3756 1.4280 1.4280 1.4437 1.4437 1.5209 1.5209 1.6835 1.6835 1.8480 1.8480 1.9284 1.9284 1.9373 1.9373 2.0667 2.0667 2.0862 2.0862 4.3978 4.3978 4.7065 4.7065 7.0633 7.0633 7.1374 7.1374 7.8808 7.8808 8.6696 8.6696 9.6656 9.6656 10.1930 10.1930 11.0276 11.0276 11.8099 11.8099 k = 0.3638 0.5319 0.3454 ( 3960 PWs) bands (ev): -19.3016 -19.3016 -5.9788 -5.9788 -4.2209 -4.2209 -3.8530 -3.8530 -2.2673 -2.2673 -1.6529 -1.6529 1.3819 1.3819 1.4351 1.4351 1.4489 1.4489 1.5275 1.5275 1.6918 1.6918 1.8461 1.8461 1.9265 1.9265 1.9347 1.9347 2.0662 2.0662 2.0772 2.0772 4.2869 4.2869 4.6654 4.6654 7.0904 7.0904 7.1674 7.1674 7.8611 7.8611 8.6746 8.6746 9.6560 9.6560 10.1798 10.1798 10.9647 10.9647 11.8393 11.8393 k = 0.3573 0.5470 0.3618 ( 3960 PWs) bands (ev): -19.3000 -19.3000 -5.9843 -5.9843 -4.2286 -4.2286 -3.8508 -3.8508 -2.2543 -2.2543 -1.6389 -1.6389 1.3885 1.3885 1.4425 1.4425 1.4541 1.4541 1.5339 1.5339 1.7005 1.7005 1.8441 1.8441 1.9234 1.9234 1.9320 1.9320 2.0567 2.0567 2.0779 2.0779 4.1816 4.1816 4.6239 4.6239 7.1150 7.1150 7.1967 7.1967 7.8444 7.8444 8.6778 8.6778 9.6296 9.6296 10.1902 10.1902 10.9055 10.9055 11.8138 11.8138 k = 0.3508 0.5622 0.3782 ( 3954 PWs) bands (ev): -19.2984 -19.2984 -5.9899 -5.9899 -4.2365 -4.2365 -3.8475 -3.8475 -2.2406 -2.2406 -1.6265 -1.6265 1.3953 1.3953 1.4503 1.4503 1.4593 1.4593 1.5401 1.5401 1.7095 1.7095 1.8422 1.8422 1.9195 1.9195 1.9292 1.9292 2.0445 2.0445 2.0819 2.0819 4.0825 4.0825 4.5819 4.5819 7.1359 7.1359 7.2253 7.2253 7.8306 7.8306 8.6789 8.6789 9.5927 9.5927 10.2193 10.2193 10.8502 10.8502 11.7900 11.7900 k = 0.3444 0.5773 0.3947 ( 3956 PWs) bands (ev): -19.2968 -19.2968 -5.9956 -5.9956 -4.2445 -4.2445 -3.8434 -3.8434 -2.2262 -2.2262 -1.6158 -1.6158 1.4022 1.4022 1.4582 1.4582 1.4646 1.4646 1.5460 1.5460 1.7188 1.7188 1.8403 1.8403 1.9148 1.9148 1.9260 1.9260 2.0319 2.0319 2.0861 2.0861 3.9902 3.9902 4.5399 4.5399 7.1522 7.1522 7.2536 7.2536 7.8195 7.8195 8.6776 8.6776 9.5519 9.5519 10.2615 10.2615 10.7989 10.7989 11.7713 11.7713 k = 0.3379 0.5924 0.4111 ( 3952 PWs) bands (ev): -19.2953 -19.2953 -6.0012 -6.0012 -4.2524 -4.2524 -3.8387 -3.8387 -2.2111 -2.2111 -1.6070 -1.6070 1.4093 1.4093 1.4662 1.4662 1.4700 1.4700 1.5517 1.5517 1.7285 1.7285 1.8384 1.8384 1.9097 1.9097 1.9228 1.9228 2.0196 2.0196 2.0899 2.0899 3.9051 3.9051 4.4979 4.4979 7.1625 7.1625 7.2818 7.2818 7.8111 7.8111 8.6734 8.6734 9.5126 9.5126 10.3125 10.3125 10.7520 10.7520 11.7582 11.7582 k = 0.3314 0.6075 0.4276 ( 3960 PWs) bands (ev): -19.2938 -19.2938 -6.0067 -6.0067 -4.2602 -4.2602 -3.8336 -3.8336 -2.1953 -2.1953 -1.6001 -1.6001 1.4164 1.4164 1.4730 1.4730 1.4765 1.4765 1.5571 1.5571 1.7385 1.7385 1.8365 1.8365 1.9041 1.9041 1.9195 1.9195 2.0074 2.0074 2.0926 2.0926 3.8280 3.8280 4.4564 4.4564 7.1659 7.1659 7.3103 7.3103 7.8052 7.8052 8.6662 8.6662 9.4785 9.4785 10.3697 10.3697 10.7093 10.7093 11.7508 11.7508 k = 0.3249 0.6226 0.4440 ( 3960 PWs) bands (ev): -19.2925 -19.2925 -6.0121 -6.0121 -4.2677 -4.2677 -3.8281 -3.8281 -2.1789 -2.1789 -1.5955 -1.5955 1.4235 1.4235 1.4781 1.4781 1.4847 1.4847 1.5623 1.5623 1.7488 1.7488 1.8347 1.8347 1.8982 1.8982 1.9163 1.9163 1.9956 1.9956 2.0939 2.0939 3.7593 3.7593 4.4155 4.4155 7.1618 7.1618 7.3391 7.3391 7.8017 7.8017 8.6556 8.6556 9.4518 9.4518 10.4311 10.4311 10.6711 10.6711 11.7493 11.7493 k = 0.3184 0.6377 0.4605 ( 3964 PWs) bands (ev): -19.2912 -19.2912 -6.0174 -6.0174 -4.2748 -4.2748 -3.8226 -3.8226 -2.1617 -2.1617 -1.5931 -1.5931 1.4306 1.4306 1.4824 1.4824 1.4933 1.4933 1.5672 1.5672 1.7592 1.7592 1.8328 1.8328 1.8923 1.8923 1.9135 1.9135 1.9842 1.9842 2.0931 2.0931 3.6995 3.6995 4.3756 4.3756 7.1499 7.1499 7.3684 7.3684 7.8004 7.8004 8.6413 8.6413 9.4341 9.4341 10.4958 10.4958 10.6375 10.6375 11.7536 11.7536 k = 0.3119 0.6528 0.4769 ( 3968 PWs) bands (ev): -19.2900 -19.2900 -6.0223 -6.0223 -4.2814 -4.2814 -3.8170 -3.8170 -2.1439 -2.1439 -1.5931 -1.5931 1.4374 1.4374 1.4862 1.4862 1.5021 1.5021 1.5717 1.5717 1.7698 1.7698 1.8310 1.8310 1.8864 1.8864 1.9110 1.9110 1.9734 1.9734 2.0901 2.0901 3.6490 3.6490 4.3368 4.3368 7.1302 7.1302 7.3979 7.3979 7.8013 7.8013 8.6232 8.6232 9.4262 9.4262 10.5628 10.5628 10.6086 10.6086 11.7637 11.7637 k = 0.3054 0.6679 0.4934 ( 3968 PWs) bands (ev): -19.2888 -19.2888 -6.0270 -6.0270 -4.2875 -4.2875 -3.8116 -3.8116 -2.1254 -2.1254 -1.5957 -1.5957 1.4442 1.4442 1.4893 1.4893 1.5108 1.5108 1.5759 1.5759 1.7803 1.7803 1.8293 1.8293 1.8807 1.8807 1.9090 1.9090 1.9632 1.9632 2.0845 2.0845 3.6080 3.6080 4.2996 4.2996 7.1030 7.1030 7.4276 7.4276 7.8042 7.8042 8.6012 8.6012 9.4282 9.4282 10.5827 10.5827 10.6333 10.6333 11.7796 11.7796 k = 0.2990 0.6831 0.5098 ( 3968 PWs) bands (ev): -19.2878 -19.2878 -6.0313 -6.0313 -4.2931 -4.2931 -3.8064 -3.8064 -2.1063 -2.1063 -1.6009 -1.6009 1.4506 1.4506 1.4918 1.4918 1.5195 1.5195 1.5796 1.5796 1.7905 1.7905 1.8276 1.8276 1.8755 1.8755 1.9077 1.9077 1.9540 1.9540 2.0764 2.0764 3.5768 3.5768 4.2641 4.2641 7.0690 7.0690 7.4574 7.4574 7.8091 7.8091 8.5751 8.5751 9.4400 9.4400 10.5627 10.5627 10.7040 10.7040 11.8011 11.8011 k = 0.2925 0.6982 0.5263 ( 3976 PWs) bands (ev): -19.2869 -19.2869 -6.0352 -6.0352 -4.2980 -4.2980 -3.8015 -3.8015 -2.0865 -2.0865 -1.6087 -1.6087 1.4568 1.4568 1.4935 1.4935 1.5280 1.5280 1.5826 1.5826 1.8000 1.8000 1.8263 1.8263 1.8708 1.8708 1.9070 1.9070 1.9462 1.9462 2.0657 2.0657 3.5550 3.5550 4.2307 4.2307 7.0288 7.0288 7.4874 7.4874 7.8158 7.8158 8.5450 8.5450 9.4611 9.4611 10.5467 10.5467 10.7764 10.7764 11.8282 11.8282 k = 0.2860 0.7133 0.5427 ( 3976 PWs) bands (ev): -19.2861 -19.2861 -6.0386 -6.0386 -4.3024 -4.3024 -3.7971 -3.7971 -2.0662 -2.0662 -1.6192 -1.6192 1.4626 1.4626 1.4944 1.4944 1.5362 1.5362 1.5848 1.5848 1.8080 1.8080 1.8255 1.8255 1.8669 1.8669 1.9062 1.9062 1.9406 1.9406 2.0528 2.0528 3.5425 3.5425 4.1996 4.1996 6.9836 6.9836 7.5175 7.5175 7.8243 7.8243 8.5110 8.5110 9.4908 9.4908 10.5348 10.5348 10.8498 10.8498 11.8607 11.8607 k = 0.2795 0.7284 0.5591 ( 3972 PWs) bands (ev): -19.2855 -19.2855 -6.0416 -6.0416 -4.3060 -4.3060 -3.7931 -3.7931 -2.0453 -2.0453 -1.6324 -1.6324 1.4680 1.4680 1.4945 1.4945 1.5440 1.5440 1.5860 1.5860 1.8136 1.8136 1.8256 1.8256 1.8645 1.8645 1.9042 1.9042 1.9387 1.9387 2.0381 2.0381 3.5388 3.5388 4.1711 4.1711 6.9342 6.9342 7.5476 7.5476 7.8346 7.8346 8.4731 8.4731 9.5284 9.5284 10.5269 10.5269 10.9241 10.9241 11.8983 11.8983 k = 0.2730 0.7435 0.5756 ( 3976 PWs) bands (ev): -19.2849 -19.2849 -6.0440 -6.0440 -4.3090 -4.3090 -3.7897 -3.7897 -2.0238 -2.0238 -1.6484 -1.6484 1.4730 1.4730 1.4938 1.4938 1.5513 1.5513 1.5861 1.5861 1.8165 1.8165 1.8261 1.8261 1.8641 1.8641 1.9004 1.9004 1.9414 1.9414 2.0223 2.0223 3.5433 3.5433 4.1455 4.1455 6.8816 6.8816 7.5779 7.5779 7.8465 7.8465 8.4316 8.4316 9.5728 9.5728 10.5227 10.5227 10.9989 10.9989 11.9410 11.9410 k = 0.2730 0.7435 0.5756 ( 3976 PWs) bands (ev): -19.2849 -19.2849 -6.0440 -6.0440 -4.3090 -4.3090 -3.7897 -3.7897 -2.0238 -2.0238 -1.6484 -1.6484 1.4730 1.4730 1.4938 1.4938 1.5513 1.5513 1.5861 1.5861 1.8165 1.8165 1.8261 1.8261 1.8641 1.8641 1.9004 1.9004 1.9414 1.9414 2.0223 2.0223 3.5433 3.5433 4.1455 4.1455 6.8816 6.8816 7.5779 7.5779 7.8465 7.8465 8.4316 8.4316 9.5728 9.5728 10.5227 10.5227 10.9989 10.9989 11.9410 11.9410 k = 0.2520 0.7394 0.5801 ( 3972 PWs) bands (ev): -19.2848 -19.2848 -6.0445 -6.0445 -4.3097 -4.3097 -3.7889 -3.7889 -2.0176 -2.0176 -1.6535 -1.6535 1.4743 1.4743 1.4934 1.4934 1.5532 1.5532 1.5859 1.5859 1.8169 1.8169 1.8261 1.8261 1.8644 1.8644 1.8990 1.8990 1.9428 1.9428 2.0179 2.0179 3.5473 3.5473 4.1374 4.1374 6.8704 6.8704 7.5863 7.5863 7.8437 7.8437 8.4188 8.4188 9.5912 9.5912 10.5230 10.5230 11.0217 11.0217 11.9402 11.9402 k = 0.2310 0.7353 0.5846 ( 3977 PWs) bands (ev): -19.2847 -19.2847 -6.0450 -6.0450 -4.3104 -4.3104 -3.7880 -3.7880 -2.0109 -2.0109 -1.6595 -1.6595 1.4754 1.4754 1.4931 1.4931 1.5550 1.5550 1.5855 1.5855 1.8172 1.8172 1.8260 1.8260 1.8649 1.8649 1.8975 1.8975 1.9445 1.9445 2.0136 2.0136 3.5547 3.5547 4.1261 4.1261 6.8661 6.8661 7.5946 7.5946 7.8293 7.8293 8.4041 8.4041 9.6193 9.6193 10.5258 10.5258 11.0486 11.0486 11.9205 11.9205 k = 0.2100 0.7311 0.5891 ( 3974 PWs) bands (ev): -19.2846 -19.2846 -6.0455 -6.0455 -4.3110 -4.3110 -3.7872 -3.7872 -2.0039 -2.0039 -1.6660 -1.6660 1.4766 1.4766 1.4927 1.4927 1.5568 1.5568 1.5850 1.5850 1.8172 1.8172 1.8259 1.8259 1.8655 1.8655 1.8959 1.8959 1.9463 1.9463 2.0094 2.0094 3.5653 3.5653 4.1117 4.1117 6.8687 6.8687 7.6023 7.6023 7.8050 7.8050 8.3881 8.3881 9.6545 9.6545 10.5321 10.5321 11.0787 11.0787 11.8942 11.8942 k = 0.1890 0.7270 0.5936 ( 3972 PWs) bands (ev): -19.2845 -19.2845 -6.0459 -6.0459 -4.3116 -4.3116 -3.7864 -3.7864 -1.9965 -1.9965 -1.6731 -1.6731 1.4776 1.4776 1.4922 1.4922 1.5585 1.5585 1.5844 1.5844 1.8169 1.8169 1.8259 1.8259 1.8663 1.8663 1.8942 1.8942 1.9483 1.9483 2.0053 2.0053 3.5788 3.5788 4.0943 4.0943 6.8782 6.8782 7.6081 7.6081 7.7736 7.7736 8.3712 8.3712 9.6942 9.6942 10.5427 10.5427 11.1110 11.1110 11.8671 11.8671 k = 0.1680 0.7229 0.5980 ( 3969 PWs) bands (ev): -19.2844 -19.2844 -6.0463 -6.0463 -4.3121 -4.3121 -3.7856 -3.7856 -1.9890 -1.9890 -1.6805 -1.6805 1.4785 1.4785 1.4918 1.4918 1.5602 1.5602 1.5837 1.5837 1.8165 1.8165 1.8260 1.8260 1.8672 1.8672 1.8925 1.8925 1.9503 1.9503 2.0014 2.0014 3.5951 3.5951 4.0743 4.0743 6.8943 6.8943 7.6090 7.6090 7.7397 7.7397 8.3540 8.3540 9.7352 9.7352 10.5584 10.5584 11.1444 11.1444 11.8412 11.8412 k = 0.1470 0.7188 0.6025 ( 3966 PWs) bands (ev): -19.2844 -19.2844 -6.0466 -6.0466 -4.3125 -4.3125 -3.7849 -3.7849 -1.9815 -1.9815 -1.6881 -1.6881 1.4794 1.4794 1.4914 1.4914 1.5618 1.5618 1.5829 1.5829 1.8158 1.8158 1.8262 1.8262 1.8682 1.8682 1.8908 1.8908 1.9524 1.9524 1.9976 1.9976 3.6137 3.6137 4.0520 4.0520 6.9167 6.9167 7.5984 7.5984 7.7113 7.7113 8.3371 8.3371 9.7750 9.7750 10.5794 10.5794 11.1778 11.1778 11.8176 11.8176 k = 0.1260 0.7146 0.6070 ( 3972 PWs) bands (ev): -19.2843 -19.2843 -6.0469 -6.0469 -4.3129 -4.3129 -3.7843 -3.7843 -1.9743 -1.9743 -1.6955 -1.6955 1.4802 1.4802 1.4909 1.4909 1.5633 1.5633 1.5821 1.5821 1.8151 1.8151 1.8264 1.8264 1.8692 1.8692 1.8891 1.8891 1.9545 1.9545 1.9940 1.9940 3.6344 3.6344 4.0279 4.0279 6.9450 6.9450 7.5694 7.5694 7.6969 7.6969 8.3209 8.3209 9.8111 9.8111 10.6053 10.6053 11.2100 11.2100 11.7967 11.7967 k = 0.1050 0.7105 0.6115 ( 3962 PWs) bands (ev): -19.2842 -19.2842 -6.0472 -6.0472 -4.3133 -4.3133 -3.7837 -3.7837 -1.9674 -1.9674 -1.7025 -1.7025 1.4809 1.4809 1.4905 1.4905 1.5647 1.5647 1.5812 1.5812 1.8144 1.8144 1.8267 1.8267 1.8704 1.8704 1.8875 1.8875 1.9566 1.9566 1.9907 1.9907 3.6565 3.6565 4.0025 4.0025 6.9784 6.9784 7.5251 7.5251 7.6943 7.6943 8.3059 8.3059 9.8421 9.8421 10.6347 10.6347 11.2397 11.2397 11.7788 11.7788 k = 0.0840 0.7064 0.6160 ( 3964 PWs) bands (ev): -19.2842 -19.2842 -6.0474 -6.0474 -4.3135 -4.3135 -3.7832 -3.7832 -1.9613 -1.9613 -1.7088 -1.7088 1.4815 1.4815 1.4901 1.4901 1.5660 1.5660 1.5803 1.5803 1.8138 1.8138 1.8269 1.8269 1.8715 1.8715 1.8859 1.8859 1.9586 1.9586 1.9877 1.9877 3.6794 3.6794 3.9768 3.9768 7.0164 7.0164 7.4735 7.4735 7.6969 7.6969 8.2928 8.2928 9.8672 9.8672 10.6655 10.6655 11.2657 11.2657 11.7639 11.7639 k = 0.0630 0.7022 0.6205 ( 3967 PWs) bands (ev): -19.2842 -19.2842 -6.0475 -6.0475 -4.3138 -4.3138 -3.7828 -3.7828 -1.9561 -1.9561 -1.7142 -1.7142 1.4820 1.4820 1.4898 1.4898 1.5671 1.5671 1.5795 1.5795 1.8132 1.8132 1.8271 1.8271 1.8725 1.8725 1.8845 1.8845 1.9605 1.9605 1.9850 1.9850 3.7019 3.7019 3.9519 3.9519 7.0576 7.0576 7.4197 7.4197 7.7010 7.7010 8.2819 8.2819 9.8863 9.8863 10.6946 10.6946 11.2870 11.2870 11.7524 11.7524 k = 0.0420 0.6981 0.6250 ( 3967 PWs) bands (ev): -19.2841 -19.2841 -6.0477 -6.0477 -4.3139 -4.3139 -3.7825 -3.7825 -1.9522 -1.9522 -1.7183 -1.7183 1.4824 1.4824 1.4895 1.4895 1.5681 1.5681 1.5788 1.5788 1.8127 1.8127 1.8273 1.8273 1.8735 1.8735 1.8832 1.8832 1.9621 1.9621 1.9828 1.9828 3.7223 3.7223 3.9297 3.9297 7.0998 7.0998 7.3677 7.3677 7.7046 7.7046 8.2738 8.2738 9.8995 9.8995 10.7186 10.7186 11.3027 11.3027 11.7441 11.7441 k = 0.0210 0.6940 0.6295 ( 3969 PWs) bands (ev): -19.2841 -19.2841 -6.0477 -6.0477 -4.3140 -4.3140 -3.7824 -3.7824 -1.9497 -1.9497 -1.7209 -1.7209 1.4826 1.4826 1.4893 1.4893 1.5687 1.5687 1.5783 1.5783 1.8125 1.8125 1.8274 1.8274 1.8743 1.8743 1.8823 1.8823 1.9633 1.9633 1.9813 1.9813 3.7375 3.7375 3.9135 3.9135 7.1376 7.1376 7.3238 7.3238 7.7071 7.7071 8.2688 8.2688 9.9073 9.9073 10.7346 10.7346 11.3123 11.3123 11.7391 11.7391 k = 0.0000 0.6899 0.6340 ( 3964 PWs) bands (ev): -19.2841 -19.2841 -6.0477 -6.0477 -4.3140 -4.3140 -3.7823 -3.7823 -1.9488 -1.9488 -1.7218 -1.7218 1.4827 1.4827 1.4893 1.4893 1.5689 1.5689 1.5781 1.5781 1.8124 1.8124 1.8274 1.8274 1.8746 1.8746 1.8820 1.8820 1.9637 1.9637 1.9808 1.9808 3.7433 3.7433 3.9073 3.9073 7.1554 7.1554 7.3039 7.3039 7.7080 7.7080 8.2671 8.2671 9.9098 9.9098 10.7402 10.7402 11.3155 11.3155 11.7374 11.7374 k = 0.0000 0.6899 0.6340 ( 3964 PWs) bands (ev): -19.2841 -19.2841 -6.0477 -6.0477 -4.3140 -4.3140 -3.7823 -3.7823 -1.9488 -1.9488 -1.7218 -1.7218 1.4827 1.4827 1.4893 1.4893 1.5689 1.5689 1.5781 1.5781 1.8124 1.8124 1.8274 1.8274 1.8746 1.8746 1.8820 1.8820 1.9637 1.9637 1.9808 1.9808 3.7433 3.7433 3.9073 3.9073 7.1554 7.1554 7.3039 7.3039 7.7080 7.7080 8.2671 8.2671 9.9098 9.9098 10.7402 10.7402 11.3155 11.3155 11.7374 11.7374 k = 0.0064 0.6749 0.6502 ( 3970 PWs) bands (ev): -19.2840 -19.2840 -6.0477 -6.0477 -4.3138 -4.3138 -3.7829 -3.7829 -1.9482 -1.9482 -1.7217 -1.7217 1.4812 1.4812 1.4905 1.4905 1.5665 1.5665 1.5802 1.5802 1.8123 1.8123 1.8273 1.8273 1.8738 1.8738 1.8826 1.8826 1.9643 1.9643 1.9812 1.9812 3.7447 3.7447 3.9073 3.9073 7.1518 7.1518 7.3049 7.3049 7.7041 7.7041 8.2513 8.2513 9.9191 9.9191 10.7520 10.7520 11.3101 11.3101 11.7418 11.7418 k = 0.0128 0.6600 0.6665 ( 3972 PWs) bands (ev): -19.2839 -19.2839 -6.0478 -6.0478 -4.3131 -4.3131 -3.7848 -3.7848 -1.9462 -1.9462 -1.7216 -1.7216 1.4781 1.4781 1.4929 1.4929 1.5617 1.5617 1.5840 1.5840 1.8120 1.8120 1.8267 1.8267 1.8721 1.8721 1.8841 1.8841 1.9659 1.9659 1.9825 1.9825 3.7487 3.7487 3.9073 3.9073 7.1409 7.1409 7.3078 7.3078 7.6925 7.6925 8.2054 8.2054 9.9451 9.9451 10.7875 10.7875 11.2953 11.2953 11.7527 11.7527 k = 0.0192 0.6451 0.6827 ( 3970 PWs) bands (ev): -19.2836 -19.2836 -6.0478 -6.0478 -4.3119 -4.3119 -3.7878 -3.7878 -1.9429 -1.9429 -1.7213 -1.7213 1.4745 1.4745 1.4953 1.4953 1.5563 1.5563 1.5879 1.5879 1.8116 1.8116 1.8259 1.8259 1.8702 1.8702 1.8858 1.8858 1.9685 1.9685 1.9847 1.9847 3.7553 3.7553 3.9072 3.9072 7.1233 7.1233 7.3124 7.3124 7.6732 7.6732 8.1338 8.1338 9.9838 9.9838 10.8464 10.8464 11.2743 11.2743 11.7647 11.7647 k = 0.0256 0.6301 0.6990 ( 3972 PWs) bands (ev): -19.2831 -19.2831 -6.0478 -6.0478 -4.3103 -4.3103 -3.7920 -3.7920 -1.9383 -1.9383 -1.7209 -1.7209 1.4707 1.4707 1.4973 1.4973 1.5508 1.5508 1.5915 1.5915 1.8109 1.8109 1.8246 1.8246 1.8685 1.8685 1.8877 1.8877 1.9719 1.9719 1.9875 1.9875 3.7646 3.7646 3.9071 3.9071 7.0992 7.0992 7.3186 7.3186 7.6464 7.6464 8.0420 8.0420 10.0307 10.0307 10.9278 10.9278 11.2504 11.2504 11.7723 11.7723 k = 0.0321 0.6152 0.7152 ( 3972 PWs) bands (ev): -19.2826 -19.2826 -6.0479 -6.0479 -4.3082 -4.3082 -3.7973 -3.7973 -1.9324 -1.9324 -1.7205 -1.7205 1.4666 1.4666 1.4987 1.4987 1.5456 1.5456 1.5947 1.5947 1.8100 1.8100 1.8230 1.8230 1.8672 1.8672 1.8896 1.8896 1.9758 1.9758 1.9910 1.9910 3.7765 3.7765 3.9071 3.9071 7.0694 7.0694 7.3259 7.3259 7.6122 7.6122 7.9352 7.9352 10.0821 10.0821 11.0298 11.0298 11.2258 11.2258 11.7723 11.7723 k = 0.0385 0.6002 0.7315 ( 3974 PWs) bands (ev): -19.2820 -19.2820 -6.0479 -6.0479 -4.3056 -4.3056 -3.8036 -3.8036 -1.9252 -1.9252 -1.7200 -1.7200 1.4623 1.4623 1.4991 1.4991 1.5410 1.5410 1.5975 1.5975 1.8089 1.8089 1.8210 1.8210 1.8666 1.8666 1.8918 1.8918 1.9802 1.9802 1.9951 1.9951 3.7908 3.7908 3.9071 3.9071 7.0346 7.0346 7.3339 7.3339 7.5713 7.5713 7.8180 7.8180 10.1358 10.1358 11.1479 11.1479 11.2031 11.2031 11.7648 11.7648 k = 0.0449 0.5853 0.7478 ( 3972 PWs) bands (ev): -19.2812 -19.2812 -6.0481 -6.0481 -4.3027 -4.3027 -3.8109 -3.8109 -1.9169 -1.9169 -1.7194 -1.7194 1.4579 1.4579 1.4979 1.4979 1.5376 1.5376 1.5999 1.5999 1.8076 1.8076 1.8186 1.8186 1.8668 1.8668 1.8942 1.8942 1.9849 1.9849 1.9995 1.9995 3.8074 3.8074 3.9072 3.9072 6.9953 6.9953 7.3414 7.3414 7.5244 7.5244 7.6941 7.6941 10.1913 10.1913 11.1732 11.1732 11.2884 11.2884 11.7527 11.7527 k = 0.0513 0.5704 0.7640 ( 3976 PWs) bands (ev): -19.2803 -19.2803 -6.0482 -6.0482 -4.2994 -4.2994 -3.8190 -3.8190 -1.9073 -1.9073 -1.7187 -1.7187 1.4533 1.4533 1.4950 1.4950 1.5357 1.5357 1.6020 1.6020 1.8060 1.8060 1.8160 1.8160 1.8677 1.8677 1.8968 1.8968 1.9897 1.9897 2.0042 2.0042 3.8263 3.8263 3.9074 3.9074 6.9523 6.9523 7.3453 7.3453 7.4739 7.4739 7.5673 7.5673 10.2484 10.2484 11.1479 11.1479 11.4353 11.4353 11.7398 11.7398 k = 0.0577 0.5554 0.7803 ( 3982 PWs) bands (ev): -19.2794 -19.2794 -6.0484 -6.0484 -4.2958 -4.2958 -3.8279 -3.8279 -1.8966 -1.8966 -1.7180 -1.7180 1.4484 1.4484 1.4903 1.4903 1.5354 1.5354 1.6037 1.6037 1.8043 1.8043 1.8134 1.8134 1.8693 1.8693 1.8997 1.8997 1.9945 1.9945 2.0090 2.0090 3.8473 3.8473 3.9078 3.9078 6.9063 6.9063 7.3338 7.3338 7.4211 7.4211 7.4505 7.4505 10.3075 10.3075 11.1200 11.1200 11.5908 11.5908 11.7307 11.7307 k = 0.0641 0.5405 0.7965 ( 3974 PWs) bands (ev): -19.2783 -19.2783 -6.0487 -6.0487 -4.2918 -4.2918 -3.8375 -3.8375 -1.8848 -1.8848 -1.7173 -1.7173 1.4434 1.4434 1.4842 1.4842 1.5363 1.5363 1.6052 1.6052 1.8025 1.8025 1.8107 1.8107 1.8716 1.8716 1.9029 1.9029 1.9993 1.9993 2.0140 2.0140 3.8699 3.8699 3.9087 3.9087 6.8579 6.8579 7.2721 7.2721 7.3278 7.3278 7.4183 7.4183 10.3690 10.3690 11.0894 11.0894 11.7130 11.7130 11.7641 11.7641 k = 0.0705 0.5255 0.8128 ( 3972 PWs) bands (ev): -19.2772 -19.2772 -6.0491 -6.0491 -4.2877 -4.2877 -3.8476 -3.8476 -1.8720 -1.8720 -1.7166 -1.7166 1.4382 1.4382 1.4772 1.4772 1.5381 1.5381 1.6065 1.6065 1.8007 1.8007 1.8083 1.8083 1.8743 1.8743 1.9063 1.9063 2.0039 2.0039 2.0189 2.0189 3.8925 3.8925 3.9117 3.9117 6.8075 6.8075 7.1554 7.1554 7.2522 7.2522 7.4190 7.4190 10.4333 10.4333 11.0558 11.0558 11.7217 11.7217 11.8775 11.8775 k = 0.0769 0.5106 0.8290 ( 3974 PWs) bands (ev): -19.2760 -19.2760 -6.0495 -6.0495 -4.2832 -4.2832 -3.8580 -3.8580 -1.8582 -1.8582 -1.7158 -1.7158 1.4329 1.4329 1.4695 1.4695 1.5404 1.5404 1.6076 1.6076 1.7987 1.7987 1.8060 1.8060 1.8775 1.8775 1.9100 1.9100 2.0084 2.0084 2.0237 2.0237 3.9049 3.9049 3.9267 3.9267 6.7554 6.7554 7.0288 7.0288 7.1772 7.1772 7.4261 7.4261 10.5006 10.5006 11.0197 11.0197 11.7302 11.7302 11.7902 11.7902 k = 0.0833 0.4957 0.8453 ( 3968 PWs) bands (ev): -19.2747 -19.2747 -6.0501 -6.0501 -4.2787 -4.2787 -3.8688 -3.8688 -1.8434 -1.8434 -1.7151 -1.7151 1.4274 1.4274 1.4614 1.4614 1.5432 1.5432 1.6087 1.6087 1.7967 1.7967 1.8039 1.8039 1.8810 1.8810 1.9139 1.9139 2.0127 2.0127 2.0283 2.0283 3.9079 3.9079 3.9529 3.9529 6.7018 6.7018 6.9033 6.9033 7.0986 7.0986 7.4345 7.4345 10.5707 10.5707 10.9817 10.9817 11.6642 11.6642 11.7479 11.7479 k = 0.0897 0.4807 0.8615 ( 3960 PWs) bands (ev): -19.2733 -19.2733 -6.0507 -6.0507 -4.2740 -4.2740 -3.8797 -3.8797 -1.8278 -1.8278 -1.7145 -1.7145 1.4217 1.4217 1.4531 1.4531 1.5463 1.5463 1.6098 1.6098 1.7949 1.7949 1.8021 1.8021 1.8849 1.8849 1.9181 1.9181 2.0167 2.0167 2.0327 2.0327 3.9099 3.9099 3.9816 3.9816 6.6458 6.6458 6.7822 6.7822 7.0170 7.0170 7.4422 7.4422 10.6434 10.6434 10.9431 10.9431 11.5432 11.5432 11.7679 11.7679 k = 0.0962 0.4658 0.8778 ( 3958 PWs) bands (ev): -19.2719 -19.2719 -6.0515 -6.0515 -4.2694 -4.2694 -3.8905 -3.8905 -1.8115 -1.8115 -1.7138 -1.7138 1.4158 1.4158 1.4445 1.4445 1.5496 1.5496 1.6109 1.6109 1.7930 1.7930 1.8006 1.8006 1.8889 1.8889 1.9224 1.9224 2.0203 2.0203 2.0368 2.0368 3.9120 3.9120 4.0114 4.0114 6.5835 6.5835 6.6707 6.6707 6.9333 6.9333 7.4484 7.4484 10.7177 10.7177 10.9057 10.9057 11.4272 11.4272 11.7922 11.7922 k = 0.1026 0.4509 0.8941 ( 3958 PWs) bands (ev): -19.2705 -19.2705 -6.0524 -6.0524 -4.2648 -4.2648 -3.9012 -3.9012 -1.7945 -1.7945 -1.7133 -1.7133 1.4098 1.4098 1.4359 1.4359 1.5532 1.5532 1.6121 1.6121 1.7914 1.7914 1.7992 1.7992 1.8931 1.8931 1.9269 1.9269 2.0237 2.0237 2.0406 2.0406 3.9146 3.9146 4.0418 4.0418 6.5036 6.5036 6.5812 6.5812 6.8485 6.8485 7.4522 7.4522 10.7879 10.7879 10.8755 10.8755 11.3176 11.3176 11.8186 11.8186 k = 0.1090 0.4359 0.9103 ( 3958 PWs) bands (ev): -19.2690 -19.2690 -6.0534 -6.0534 -4.2603 -4.2603 -3.9116 -3.9116 -1.7769 -1.7769 -1.7128 -1.7128 1.4038 1.4038 1.4273 1.4273 1.5570 1.5570 1.6135 1.6135 1.7898 1.7898 1.7981 1.7981 1.8975 1.8975 1.9315 1.9315 2.0266 2.0266 2.0441 2.0441 3.9176 3.9176 4.0723 4.0723 6.4053 6.4053 6.5151 6.5151 6.7634 6.7634 7.4530 7.4530 10.8094 10.8094 10.8974 10.8974 11.2155 11.2155 11.8453 11.8453 k = 0.1154 0.4210 0.9266 ( 3956 PWs) bands (ev): -19.2675 -19.2675 -6.0545 -6.0545 -4.2560 -4.2560 -3.9215 -3.9215 -1.7588 -1.7588 -1.7125 -1.7125 1.3976 1.3976 1.4187 1.4187 1.5609 1.5609 1.6151 1.6151 1.7884 1.7884 1.7971 1.7971 1.9019 1.9019 1.9363 1.9363 2.0291 2.0291 2.0473 2.0473 3.9213 3.9213 4.1024 4.1024 6.3041 6.3041 6.4574 6.4574 6.6791 6.6791 7.4503 7.4503 10.7830 10.7830 10.9694 10.9694 11.1224 11.1224 11.8704 11.8704 k = 0.1218 0.4060 0.9428 ( 3956 PWs) bands (ev): -19.2660 -19.2660 -6.0557 -6.0557 -4.2520 -4.2520 -3.9309 -3.9309 -1.7404 -1.7404 -1.7122 -1.7122 1.3914 1.3914 1.4103 1.4103 1.5651 1.5651 1.6170 1.6170 1.7871 1.7871 1.7962 1.7962 1.9063 1.9063 1.9411 1.9411 2.0312 2.0312 2.0502 2.0502 3.9257 3.9257 4.1316 4.1316 6.2069 6.2069 6.4014 6.4014 6.5972 6.5972 7.4435 7.4435 10.7530 10.7530 11.0183 11.0183 11.0672 11.0672 11.8919 11.8919 k = 0.1282 0.3911 0.9591 ( 3960 PWs) bands (ev): -19.2645 -19.2645 -6.0571 -6.0571 -4.2483 -4.2483 -3.9396 -3.9396 -1.7219 -1.7219 -1.7119 -1.7119 1.3851 1.3851 1.4019 1.4019 1.5694 1.5694 1.6191 1.6191 1.7860 1.7860 1.7954 1.7954 1.9107 1.9107 1.9460 1.9460 2.0328 2.0328 2.0527 2.0527 3.9309 3.9309 4.1592 4.1592 6.1159 6.1159 6.3441 6.3441 6.5193 6.5193 7.4322 7.4322 10.7251 10.7251 10.9520 10.9520 11.1364 11.1364 11.9078 11.9078 k = 0.1346 0.3762 0.9753 ( 3952 PWs) bands (ev): -19.2629 -19.2629 -6.0586 -6.0586 -4.2451 -4.2451 -3.9475 -3.9475 -1.7125 -1.7125 -1.7023 -1.7023 1.3789 1.3789 1.3938 1.3938 1.5740 1.5740 1.6216 1.6216 1.7850 1.7850 1.7948 1.7948 1.9152 1.9152 1.9509 1.9509 2.0340 2.0340 2.0549 2.0549 3.9369 3.9369 4.1846 4.1846 6.0327 6.0327 6.2835 6.2835 6.4479 6.4479 7.4161 7.4161 10.7003 10.7003 10.8846 10.8846 11.2138 11.2138 11.9163 11.9163 k = 0.1410 0.3612 0.9916 ( 3952 PWs) bands (ev): -19.2614 -19.2614 -6.0601 -6.0601 -4.2424 -4.2424 -3.9546 -3.9546 -1.7124 -1.7124 -1.6836 -1.6836 1.3728 1.3728 1.3858 1.3858 1.5787 1.5787 1.6242 1.6242 1.7841 1.7841 1.7942 1.7942 1.9195 1.9195 1.9558 1.9558 2.0347 2.0347 2.0567 2.0567 3.9439 3.9439 4.2070 4.2070 5.9583 5.9583 6.2181 6.2181 6.3847 6.3847 7.3947 7.3947 10.6791 10.6791 10.8259 10.8259 11.2880 11.2880 11.9157 11.9157 k = 0.1474 0.3463 1.0078 ( 3956 PWs) bands (ev): -19.2599 -19.2599 -6.0618 -6.0618 -4.2402 -4.2402 -3.9607 -3.9607 -1.7126 -1.7126 -1.6648 -1.6648 1.3667 1.3667 1.3781 1.3781 1.5836 1.5836 1.6272 1.6272 1.7832 1.7832 1.7937 1.7937 1.9238 1.9238 1.9608 1.9608 2.0349 2.0349 2.0582 2.0582 3.9518 3.9518 4.2258 4.2258 5.8935 5.8935 6.1479 6.1479 6.3300 6.3300 7.3681 7.3681 10.6619 10.6619 10.7767 10.7767 11.3564 11.3564 11.9049 11.9049 k = 0.1538 0.3314 1.0241 ( 3954 PWs) bands (ev): -19.2585 -19.2585 -6.0635 -6.0635 -4.2386 -4.2386 -3.9658 -3.9658 -1.7129 -1.7129 -1.6462 -1.6462 1.3608 1.3608 1.3707 1.3707 1.5887 1.5887 1.6304 1.6304 1.7824 1.7824 1.7932 1.7932 1.9280 1.9280 1.9657 1.9657 2.0348 2.0348 2.0594 2.0594 3.9607 3.9607 4.2402 4.2402 5.8391 5.8391 6.0745 6.0745 6.2827 6.2827 7.3361 7.3361 10.6489 10.6489 10.7371 10.7371 11.4165 11.4165 11.8836 11.8836 k = 0.1603 0.3164 1.0404 ( 3958 PWs) bands (ev): -19.2571 -19.2571 -6.0653 -6.0653 -4.2375 -4.2375 -3.9699 -3.9699 -1.7134 -1.7134 -1.6280 -1.6280 1.3551 1.3551 1.3636 1.3636 1.5939 1.5939 1.6338 1.6338 1.7817 1.7817 1.7927 1.7927 1.9322 1.9322 1.9705 1.9705 2.0342 2.0342 2.0602 2.0602 3.9706 3.9706 4.2498 4.2498 5.7956 5.7956 6.0001 6.0001 6.2413 6.2413 7.2990 7.2990 10.6401 10.6401 10.7071 10.7071 11.4660 11.4660 11.8521 11.8521 k = 0.1667 0.3015 1.0566 ( 3962 PWs) bands (ev): -19.2557 -19.2557 -6.0671 -6.0671 -4.2370 -4.2370 -3.9732 -3.9732 -1.7139 -1.7139 -1.6102 -1.6102 1.3495 1.3495 1.3569 1.3569 1.5993 1.5993 1.6373 1.6373 1.7809 1.7809 1.7922 1.7922 1.9362 1.9362 1.9753 1.9753 2.0332 2.0332 2.0606 2.0606 3.9814 3.9814 4.2543 4.2543 5.7629 5.7629 5.9267 5.9267 6.2045 6.2045 7.2569 7.2569 10.6357 10.6357 10.6866 10.6866 11.5030 11.5030 11.8113 11.8113 k = 0.1731 0.2865 1.0729 ( 3966 PWs) bands (ev): -19.2544 -19.2544 -6.0689 -6.0689 -4.2370 -4.2370 -3.9755 -3.9755 -1.7145 -1.7145 -1.5930 -1.5930 1.3442 1.3442 1.3505 1.3505 1.6048 1.6048 1.6410 1.6410 1.7802 1.7802 1.7917 1.7917 1.9402 1.9402 1.9800 1.9800 2.0319 2.0319 2.0607 2.0607 3.9932 3.9932 4.2536 4.2536 5.7399 5.7399 5.8566 5.8566 6.1715 6.1715 7.2103 7.2103 10.6357 10.6357 10.6752 10.6752 11.5259 11.5259 11.7629 11.7629 k = 0.1795 0.2716 1.0891 ( 3968 PWs) bands (ev): -19.2532 -19.2532 -6.0706 -6.0706 -4.2374 -4.2374 -3.9771 -3.9771 -1.7152 -1.7152 -1.5766 -1.5766 1.3393 1.3393 1.3445 1.3445 1.6103 1.6103 1.6447 1.6447 1.7795 1.7795 1.7911 1.7911 1.9441 1.9441 1.9846 1.9846 2.0303 2.0303 2.0605 2.0605 4.0057 4.0057 4.2482 4.2482 5.7212 5.7212 5.7959 5.7959 6.1420 6.1420 7.1596 7.1596 10.6402 10.6402 10.6726 10.6726 11.5341 11.5341 11.7087 11.7087 k = 0.1859 0.2567 1.1054 ( 3968 PWs) bands (ev): -19.2520 -19.2520 -6.0724 -6.0724 -4.2381 -4.2381 -3.9779 -3.9779 -1.7160 -1.7160 -1.5611 -1.5611 1.3346 1.3346 1.3390 1.3390 1.6159 1.6159 1.6484 1.6484 1.7788 1.7788 1.7904 1.7904 1.9479 1.9479 1.9891 1.9891 2.0284 2.0284 2.0600 2.0600 4.0188 4.0188 4.2386 4.2386 5.6869 5.6869 5.7643 5.7643 6.1154 6.1154 7.1055 7.1055 10.6494 10.6494 10.6781 10.6781 11.5274 11.5274 11.6505 11.6505 k = 0.1923 0.2417 1.1216 ( 3964 PWs) bands (ev): -19.2510 -19.2510 -6.0741 -6.0741 -4.2391 -4.2391 -3.9783 -3.9783 -1.7167 -1.7167 -1.5466 -1.5466 1.3303 1.3303 1.3339 1.3339 1.6214 1.6214 1.6521 1.6521 1.7781 1.7781 1.7897 1.7897 1.9516 1.9516 1.9934 1.9934 2.0263 2.0263 2.0592 2.0592 4.0323 4.0323 4.2257 4.2257 5.6330 5.6330 5.7656 5.7656 6.0917 6.0917 7.0488 7.0488 10.6633 10.6633 10.6911 10.6911 11.5064 11.5064 11.5909 11.5909 k = 0.1987 0.2268 1.1379 ( 3960 PWs) bands (ev): -19.2500 -19.2500 -6.0756 -6.0756 -4.2403 -4.2403 -3.9781 -3.9781 -1.7175 -1.7175 -1.5333 -1.5333 1.3263 1.3263 1.3293 1.3293 1.6268 1.6268 1.6555 1.6555 1.7775 1.7775 1.7889 1.7889 1.9553 1.9553 1.9974 1.9974 2.0240 2.0240 2.0581 2.0581 4.0461 4.0461 4.2107 4.2107 5.5765 5.5765 5.7819 5.7819 6.0708 6.0708 6.9904 6.9904 10.6816 10.6816 10.7111 10.7111 11.4711 11.4711 11.5324 11.5324 k = 0.2051 0.2118 1.1541 ( 3964 PWs) bands (ev): -19.2491 -19.2491 -6.0771 -6.0771 -4.2416 -4.2416 -3.9777 -3.9777 -1.7182 -1.7182 -1.5212 -1.5212 1.3228 1.3228 1.3252 1.3252 1.6320 1.6320 1.6587 1.6587 1.7769 1.7769 1.7880 1.7880 1.9589 1.9589 2.0012 2.0012 2.0217 2.0217 2.0568 2.0568 4.0596 4.0596 4.1946 4.1946 5.5230 5.5230 5.8066 5.8066 6.0525 6.0525 6.9312 6.9312 10.7042 10.7042 10.7376 10.7376 11.4229 11.4229 11.4771 11.4771 k = 0.2115 0.1969 1.1704 ( 3960 PWs) bands (ev): -19.2484 -19.2484 -6.0784 -6.0784 -4.2428 -4.2428 -3.9771 -3.9771 -1.7189 -1.7189 -1.5104 -1.5104 1.3197 1.3197 1.3216 1.3216 1.6369 1.6369 1.6616 1.6616 1.7764 1.7764 1.7871 1.7871 1.9624 1.9624 2.0045 2.0045 2.0194 2.0194 2.0553 2.0553 4.0726 4.0726 4.1785 4.1785 5.4744 5.4744 5.8368 5.8368 6.0368 6.0368 6.8726 6.8726 10.7307 10.7307 10.7701 10.7701 11.3660 11.3660 11.4235 11.4235 k = 0.2179 0.1820 1.1867 ( 3958 PWs) bands (ev): -19.2477 -19.2477 -6.0796 -6.0796 -4.2440 -4.2440 -3.9764 -3.9764 -1.7196 -1.7196 -1.5012 -1.5012 1.3170 1.3170 1.3186 1.3186 1.6414 1.6414 1.6640 1.6640 1.7760 1.7760 1.7862 1.7862 1.9657 1.9657 2.0070 2.0070 2.0177 2.0177 2.0537 2.0537 4.0844 4.0844 4.1634 4.1634 5.4316 5.4316 5.8700 5.8700 6.0238 6.0238 6.8161 6.8161 10.7608 10.7608 10.8079 10.8079 11.3060 11.3060 11.3693 11.3693 k = 0.2244 0.1670 1.2029 ( 3960 PWs) bands (ev): -19.2472 -19.2472 -6.0805 -6.0805 -4.2451 -4.2451 -3.9756 -3.9756 -1.7201 -1.7201 -1.4935 -1.4935 1.3148 1.3148 1.3160 1.3160 1.6454 1.6454 1.6660 1.6660 1.7757 1.7757 1.7853 1.7853 1.9688 1.9688 2.0079 2.0079 2.0173 2.0173 2.0520 2.0520 4.0946 4.0946 4.1503 4.1503 5.3954 5.3954 5.9038 5.9038 6.0134 6.0134 6.7635 6.7635 10.7940 10.7940 10.8502 10.8502 11.2463 11.2463 11.3137 11.3137 k = 0.2308 0.1521 1.2192 ( 3960 PWs) bands (ev): -19.2467 -19.2467 -6.0813 -6.0813 -4.2460 -4.2460 -3.9750 -3.9750 -1.7205 -1.7205 -1.4874 -1.4874 1.3130 1.3130 1.3140 1.3140 1.6488 1.6488 1.6675 1.6675 1.7755 1.7755 1.7844 1.7844 1.9716 1.9716 2.0072 2.0072 2.0183 2.0183 2.0504 2.0504 4.1024 4.1024 4.1403 4.1403 5.3664 5.3664 5.9350 5.9350 6.0062 6.0062 6.7173 6.7173 10.8292 10.8292 10.8960 10.8960 11.1891 11.1891 11.2577 11.2577 k = 0.2372 0.1372 1.2354 ( 3966 PWs) bands (ev): -19.2464 -19.2464 -6.0819 -6.0819 -4.2466 -4.2466 -3.9745 -3.9745 -1.7209 -1.7209 -1.4831 -1.4831 1.3118 1.3118 1.3126 1.3126 1.6514 1.6514 1.6685 1.6685 1.7754 1.7754 1.7837 1.7837 1.9739 1.9739 2.0058 2.0058 2.0197 2.0197 2.0491 2.0491 4.1068 4.1068 4.1342 4.1342 5.3453 5.3453 5.9594 5.9594 6.0027 6.0027 6.6806 6.6806 10.8644 10.8644 10.9439 10.9439 11.1366 11.1366 11.2036 11.2036 k = 0.2436 0.1222 1.2517 ( 3966 PWs) bands (ev): -19.2462 -19.2462 -6.0822 -6.0822 -4.2470 -4.2470 -3.9742 -3.9742 -1.7211 -1.7211 -1.4804 -1.4804 1.3110 1.3110 1.3118 1.3118 1.6530 1.6530 1.6690 1.6690 1.7754 1.7754 1.7833 1.7833 1.9755 1.9755 2.0047 2.0047 2.0208 2.0208 2.0482 2.0482 4.1082 4.1082 4.1318 4.1318 5.3324 5.3324 5.9728 5.9728 6.0040 6.0040 6.6567 6.6567 10.8940 10.8940 10.9906 10.9906 11.0921 11.0921 11.1574 11.1574 k = 0.2500 0.1073 1.2679 ( 3960 PWs) bands (ev): -19.2462 -19.2462 -6.0823 -6.0823 -4.2472 -4.2472 -3.9741 -3.9741 -1.7211 -1.7211 -1.4795 -1.4795 1.3108 1.3108 1.3115 1.3115 1.6536 1.6536 1.6692 1.6692 1.7754 1.7754 1.7831 1.7831 1.9760 1.9760 2.0043 2.0043 2.0212 2.0212 2.0478 2.0478 4.1083 4.1083 4.1314 4.1314 5.3281 5.3281 5.9762 5.9762 6.0058 6.0058 6.6483 6.6483 10.9069 10.9069 11.0194 11.0194 11.0669 11.0669 11.1362 11.1362 k = 0.2500 0.1073 1.2679 ( 3960 PWs) bands (ev): -19.2462 -19.2462 -6.0823 -6.0823 -4.2472 -4.2472 -3.9741 -3.9741 -1.7211 -1.7211 -1.4795 -1.4795 1.3108 1.3108 1.3115 1.3115 1.6536 1.6536 1.6692 1.6692 1.7754 1.7754 1.7831 1.7831 1.9760 1.9760 2.0043 2.0043 2.0212 2.0212 2.0478 2.0478 4.1083 4.1083 4.1314 4.1314 5.3281 5.3281 5.9762 5.9762 6.0058 6.0058 6.6483 6.6483 10.9069 10.9069 11.0194 11.0194 11.0669 11.0669 11.1362 11.1362 k = 0.2692 0.1155 1.2590 ( 3968 PWs) bands (ev): -19.2462 -19.2462 -6.0823 -6.0823 -4.2471 -4.2471 -3.9741 -3.9741 -1.7211 -1.7211 -1.4797 -1.4797 1.3103 1.3103 1.3120 1.3120 1.6531 1.6531 1.6695 1.6695 1.7754 1.7754 1.7831 1.7831 1.9757 1.9757 2.0044 2.0044 2.0211 2.0211 2.0481 2.0481 4.1019 4.1019 4.1384 4.1384 5.3280 5.3280 5.9494 5.9494 6.0316 6.0316 6.6513 6.6513 10.8347 10.8347 11.0243 11.0243 11.0850 11.0850 11.1928 11.1928 k = 0.2885 0.1238 1.2500 ( 3970 PWs) bands (ev): -19.2462 -19.2462 -6.0823 -6.0823 -4.2471 -4.2471 -3.9741 -3.9741 -1.7210 -1.7210 -1.4801 -1.4801 1.3096 1.3096 1.3130 1.3130 1.6519 1.6519 1.6704 1.6704 1.7753 1.7753 1.7833 1.7833 1.9748 1.9748 2.0050 2.0050 2.0208 2.0208 2.0488 2.0488 4.0907 4.0907 4.1516 4.1516 5.3273 5.3273 5.9128 5.9128 6.0651 6.0651 6.6600 6.6600 10.7239 10.7239 10.9738 10.9738 11.1689 11.1689 11.2928 11.2928 k = 0.3077 0.1320 1.2410 ( 3972 PWs) bands (ev): -19.2463 -19.2463 -6.0822 -6.0822 -4.2470 -4.2470 -3.9742 -3.9742 -1.7209 -1.7209 -1.4810 -1.4810 1.3088 1.3088 1.3142 1.3142 1.6502 1.6502 1.6716 1.6716 1.7752 1.7752 1.7835 1.7835 1.9734 1.9734 2.0057 2.0057 2.0203 2.0203 2.0499 2.0499 4.0798 4.0798 4.1663 4.1663 5.3258 5.3258 5.8767 5.8767 6.0964 6.0964 6.6735 6.6735 10.6146 10.6146 10.9260 10.9260 11.2437 11.2437 11.4134 11.4134 k = 0.3269 0.1403 1.2320 ( 3966 PWs) bands (ev): -19.2463 -19.2463 -6.0820 -6.0820 -4.2468 -4.2468 -3.9744 -3.9744 -1.7205 -1.7205 -1.4823 -1.4823 1.3080 1.3080 1.3155 1.3155 1.6482 1.6482 1.6729 1.6729 1.7752 1.7752 1.7838 1.7838 1.9718 1.9718 2.0065 2.0065 2.0198 2.0198 2.0512 2.0512 4.0702 4.0702 4.1815 4.1815 5.3235 5.3235 5.8423 5.8423 6.1249 6.1249 6.6903 6.6903 10.5135 10.5135 10.8817 10.8817 11.3113 11.3113 11.5455 11.5455 k = 0.3462 0.1485 1.2230 ( 3966 PWs) bands (ev): -19.2464 -19.2464 -6.0819 -6.0819 -4.2466 -4.2466 -3.9745 -3.9745 -1.7200 -1.7200 -1.4841 -1.4841 1.3073 1.3073 1.3169 1.3169 1.6460 1.6460 1.6741 1.6741 1.7751 1.7751 1.7841 1.7841 1.9701 1.9701 2.0073 2.0073 2.0192 2.0192 2.0525 2.0525 4.0625 4.0625 4.1967 4.1967 5.3203 5.3203 5.8102 5.8102 6.1510 6.1510 6.7085 6.7085 10.4235 10.4235 10.8412 10.8412 11.3738 11.3738 11.6838 11.6838 k = 0.3654 0.1568 1.2141 ( 3968 PWs) bands (ev): -19.2465 -19.2465 -6.0817 -6.0817 -4.2464 -4.2464 -3.9747 -3.9747 -1.7193 -1.7193 -1.4864 -1.4864 1.3066 1.3066 1.3185 1.3185 1.6439 1.6439 1.6752 1.6752 1.7750 1.7750 1.7844 1.7844 1.9684 1.9684 2.0079 2.0079 2.0186 2.0186 2.0539 2.0539 4.0569 4.0569 4.2115 4.2115 5.3165 5.3165 5.7811 5.7811 6.1750 6.1750 6.7261 6.7261 10.3462 10.3462 10.8049 10.8049 11.4314 11.4314 11.8259 11.8259 k = 0.3846 0.1650 1.2051 ( 3963 PWs) bands (ev): -19.2466 -19.2466 -6.0815 -6.0815 -4.2461 -4.2461 -3.9750 -3.9750 -1.7183 -1.7183 -1.4893 -1.4893 1.3060 1.3060 1.3202 1.3202 1.6418 1.6418 1.6760 1.6760 1.7750 1.7750 1.7848 1.7848 1.9668 1.9668 2.0084 2.0084 2.0181 2.0181 2.0551 2.0551 4.0537 4.0537 4.2257 4.2257 5.3123 5.3123 5.7554 5.7554 6.1971 6.1971 6.7413 6.7413 10.2829 10.2829 10.7734 10.7734 11.4834 11.4834 11.9696 11.9696 k = 0.4038 0.1733 1.1961 ( 3959 PWs) bands (ev): -19.2468 -19.2468 -6.0812 -6.0812 -4.2457 -4.2457 -3.9753 -3.9753 -1.7171 -1.7171 -1.4927 -1.4927 1.3055 1.3055 1.3219 1.3219 1.6398 1.6398 1.6765 1.6765 1.7750 1.7750 1.7851 1.7851 1.9654 1.9654 2.0087 2.0087 2.0177 2.0177 2.0560 2.0560 4.0528 4.0528 4.2388 4.2388 5.3081 5.3081 5.7336 5.7336 6.2175 6.2175 6.7526 6.7526 10.2344 10.2344 10.7472 10.7472 11.5289 11.5289 12.1130 12.1130 k = 0.4231 0.1815 1.1871 ( 3959 PWs) bands (ev): -19.2469 -19.2469 -6.0809 -6.0809 -4.2453 -4.2453 -3.9756 -3.9756 -1.7156 -1.7156 -1.4966 -1.4966 1.3051 1.3051 1.3238 1.3238 1.6380 1.6380 1.6767 1.6767 1.7750 1.7750 1.7855 1.7855 1.9642 1.9642 2.0088 2.0088 2.0174 2.0174 2.0567 2.0567 4.0542 4.0542 4.2507 4.2507 5.3042 5.3042 5.7162 5.7162 6.2359 6.2359 6.7592 6.7592 10.2009 10.2009 10.7273 10.7273 11.5669 11.5669 12.2531 12.2531 k = 0.4423 0.1898 1.1781 ( 3950 PWs) bands (ev): -19.2471 -19.2471 -6.0806 -6.0806 -4.2449 -4.2449 -3.9759 -3.9759 -1.7140 -1.7140 -1.5011 -1.5011 1.3048 1.3048 1.3258 1.3258 1.6364 1.6364 1.6766 1.6766 1.7752 1.7752 1.7858 1.7858 1.9633 1.9633 2.0087 2.0087 2.0172 2.0172 2.0571 2.0571 4.0578 4.0578 4.2609 4.2609 5.3010 5.3010 5.7035 5.7035 6.2513 6.2513 6.7613 6.7613 10.1819 10.1819 10.7144 10.7144 11.5963 11.5963 12.3854 12.3854 k = 0.4615 0.1981 1.1692 ( 3948 PWs) bands (ev): -19.2473 -19.2473 -6.0802 -6.0802 -4.2444 -4.2444 -3.9764 -3.9764 -1.7121 -1.7121 -1.5060 -1.5060 1.3046 1.3046 1.3278 1.3278 1.6349 1.6349 1.6761 1.6761 1.7753 1.7753 1.7862 1.7862 1.9626 1.9626 2.0084 2.0084 2.0172 2.0172 2.0571 2.0571 4.0634 4.0634 4.2694 4.2694 5.2991 5.2991 5.6960 5.6960 6.2628 6.2628 6.7598 6.7598 10.1763 10.1763 10.7099 10.7099 11.6165 11.6165 12.5019 12.5019 k = 0.4808 0.2063 1.1602 ( 3952 PWs) bands (ev): -19.2475 -19.2475 -6.0798 -6.0798 -4.2439 -4.2439 -3.9768 -3.9768 -1.7102 -1.7102 -1.5113 -1.5113 1.3045 1.3045 1.3299 1.3299 1.6335 1.6335 1.6753 1.6753 1.7755 1.7755 1.7865 1.7865 1.9620 1.9620 2.0078 2.0078 2.0172 2.0172 2.0568 2.0568 4.0708 4.0708 4.2758 4.2758 5.2987 5.2987 5.6939 5.6939 6.2685 6.2685 6.7565 6.7565 10.1821 10.1821 10.7150 10.7150 11.6269 11.6269 12.5880 12.5880 k = 0.5000 0.2146 1.1512 ( 3960 PWs) bands (ev): -19.2478 -19.2478 -6.0794 -6.0794 -4.2433 -4.2433 -3.9773 -3.9773 -1.7082 -1.7082 -1.5168 -1.5168 1.3044 1.3044 1.3321 1.3321 1.6322 1.6322 1.6741 1.6741 1.7757 1.7757 1.7868 1.7868 1.9617 1.9617 2.0071 2.0071 2.0174 2.0174 2.0561 2.0561 4.0796 4.0796 4.2801 4.2801 5.3005 5.3005 5.6972 5.6972 6.2668 6.2668 6.7539 6.7539 10.1969 10.1969 10.7313 10.7313 11.6273 11.6273 12.6233 12.6233 k = 0.5000 0.2146 1.1512 ( 3960 PWs) bands (ev): -19.2478 -19.2478 -6.0794 -6.0794 -4.2433 -4.2433 -3.9773 -3.9773 -1.7082 -1.7082 -1.5168 -1.5168 1.3044 1.3044 1.3321 1.3321 1.6322 1.6322 1.6741 1.6741 1.7757 1.7757 1.7868 1.7868 1.9617 1.9617 2.0071 2.0071 2.0174 2.0174 2.0561 2.0561 4.0796 4.0796 4.2801 4.2801 5.3005 5.3005 5.6972 5.6972 6.2668 6.2668 6.7539 6.7539 10.1969 10.1969 10.7313 10.7313 11.6273 11.6273 12.6233 12.6233 k = 0.5000 0.2146 1.1277 ( 3958 PWs) bands (ev): -19.2485 -19.2485 -6.0781 -6.0781 -4.2415 -4.2415 -3.9787 -3.9787 -1.7027 -1.7027 -1.5329 -1.5329 1.3045 1.3045 1.3384 1.3384 1.6290 1.6290 1.6704 1.6704 1.7763 1.7763 1.7879 1.7879 1.9609 1.9609 2.0047 2.0047 2.0185 2.0185 2.0540 2.0540 4.1060 4.1060 4.2895 4.2895 5.3083 5.3083 5.7147 5.7147 6.2502 6.2502 6.7506 6.7506 10.2484 10.2484 10.7952 10.7952 11.6143 11.6143 12.6354 12.6354 k = 0.5000 0.2146 1.1042 ( 3954 PWs) bands (ev): -19.2493 -19.2493 -6.0765 -6.0765 -4.2394 -4.2394 -3.9803 -3.9803 -1.6963 -1.6963 -1.5514 -1.5514 1.3045 1.3045 1.3457 1.3457 1.6253 1.6253 1.6662 1.6662 1.7770 1.7770 1.7891 1.7891 1.9596 1.9596 2.0015 2.0015 2.0204 2.0204 2.0515 2.0515 4.1361 4.1361 4.3007 4.3007 5.3162 5.3162 5.7353 5.7353 6.2337 6.2337 6.7484 6.7484 10.3061 10.3061 10.8696 10.8696 11.5991 11.5991 12.6495 12.6495 k = 0.5000 0.2146 1.0807 ( 3948 PWs) bands (ev): -19.2502 -19.2502 -6.0748 -6.0748 -4.2369 -4.2369 -3.9822 -3.9822 -1.6893 -1.6893 -1.5723 -1.5723 1.3045 1.3045 1.3540 1.3540 1.6213 1.6213 1.6616 1.6616 1.7778 1.7778 1.7904 1.7904 1.9580 1.9580 1.9976 1.9976 2.0230 2.0230 2.0487 2.0487 4.1693 4.1693 4.3136 4.3136 5.3235 5.3235 5.7590 5.7590 6.2183 6.2183 6.7481 6.7481 10.3684 10.3684 10.9540 10.9540 11.5818 11.5818 12.6657 12.6657 k = 0.5000 0.2146 1.0572 ( 3952 PWs) bands (ev): -19.2513 -19.2513 -6.0727 -6.0727 -4.2341 -4.2341 -3.9843 -3.9843 -1.6818 -1.6818 -1.5952 -1.5952 1.3046 1.3046 1.3631 1.3631 1.6169 1.6169 1.6566 1.6566 1.7786 1.7786 1.7919 1.7919 1.9560 1.9560 1.9932 1.9932 2.0260 2.0260 2.0457 2.0457 4.2050 4.2050 4.3285 4.3285 5.3296 5.3296 5.7856 5.7856 6.2056 6.2056 6.7502 6.7502 10.4335 10.4335 11.0479 11.0479 11.5625 11.5625 12.6838 12.6838 k = 0.5000 0.2146 1.0337 ( 3952 PWs) bands (ev): -19.2524 -19.2524 -6.0705 -6.0705 -4.2308 -4.2308 -3.9867 -3.9867 -1.6740 -1.6740 -1.6198 -1.6198 1.3046 1.3046 1.3728 1.3728 1.6122 1.6122 1.6514 1.6514 1.7795 1.7795 1.7933 1.7933 1.9536 1.9536 1.9883 1.9883 2.0292 2.0292 2.0428 2.0428 4.2426 4.2426 4.3453 4.3453 5.3337 5.3337 5.8152 5.8152 6.1968 6.1968 6.7557 6.7557 10.4993 10.4993 11.1506 11.1506 11.5414 11.5414 12.7038 12.7038 k = 0.5000 0.2146 1.0102 ( 3950 PWs) bands (ev): -19.2537 -19.2537 -6.0680 -6.0680 -4.2271 -4.2271 -3.9892 -3.9892 -1.6670 -1.6670 -1.6449 -1.6449 1.3047 1.3047 1.3831 1.3831 1.6073 1.6073 1.6461 1.6461 1.7804 1.7804 1.7949 1.7949 1.9508 1.9508 1.9830 1.9830 2.0315 2.0315 2.0411 2.0411 4.2812 4.2812 4.3641 4.3641 5.3352 5.3352 5.8478 5.8478 6.1933 6.1933 6.7652 6.7652 10.5637 10.5637 11.2614 11.2614 11.5189 11.5189 12.7255 12.7255 k = 0.5000 0.2146 0.9867 ( 3944 PWs) bands (ev): -19.2551 -19.2551 -6.0653 -6.0653 -4.2230 -4.2230 -3.9920 -3.9920 -1.6772 -1.6772 -1.6540 -1.6540 1.3048 1.3048 1.3937 1.3937 1.6022 1.6022 1.6409 1.6409 1.7814 1.7814 1.7964 1.7964 1.9477 1.9477 1.9774 1.9774 2.0310 2.0310 2.0423 2.0423 4.3203 4.3203 4.3851 4.3851 5.3336 5.3336 5.8831 5.8831 6.1958 6.1958 6.7793 6.7793 10.6240 10.6240 11.3786 11.3786 11.4960 11.4960 12.7487 12.7487 k = 0.5000 0.2146 0.9632 ( 3950 PWs) bands (ev): -19.2566 -19.2566 -6.0624 -6.0624 -4.2184 -4.2184 -3.9950 -3.9950 -1.7049 -1.7049 -1.6467 -1.6467 1.3049 1.3049 1.4045 1.4045 1.5970 1.5970 1.6357 1.6357 1.7824 1.7824 1.7978 1.7978 1.9443 1.9443 1.9717 1.9717 2.0283 2.0283 2.0457 2.0457 4.3588 4.3588 4.4085 4.4085 5.3289 5.3289 5.9213 5.9213 6.2052 6.2052 6.7989 6.7989 10.6775 10.6775 11.4583 11.4583 11.5166 11.5166 12.7733 12.7733 k = 0.5000 0.2146 0.9397 ( 3946 PWs) bands (ev): -19.2582 -19.2582 -6.0593 -6.0593 -4.2134 -4.2134 -3.9982 -3.9982 -1.7346 -1.7346 -1.6385 -1.6385 1.3050 1.3050 1.4153 1.4153 1.5916 1.5916 1.6308 1.6308 1.7836 1.7836 1.7991 1.7991 1.9404 1.9404 1.9661 1.9661 2.0251 2.0251 2.0499 2.0499 4.3961 4.3961 4.4347 4.4347 5.3212 5.3212 5.9623 5.9623 6.2216 6.2216 6.8243 6.8243 10.7217 10.7217 11.4365 11.4365 11.6439 11.6439 12.7990 12.7990 k = 0.5000 0.2146 0.9163 ( 3950 PWs) bands (ev): -19.2599 -19.2599 -6.0559 -6.0559 -4.2080 -4.2080 -4.0015 -4.0015 -1.7651 -1.7651 -1.6304 -1.6304 1.3051 1.3051 1.4258 1.4258 1.5861 1.5861 1.6262 1.6262 1.7848 1.7848 1.8000 1.8000 1.9359 1.9359 1.9607 1.9607 2.0218 2.0218 2.0541 2.0541 4.4312 4.4312 4.4640 4.4640 5.3109 5.3109 6.0060 6.0060 6.2448 6.2448 6.8560 6.8560 10.7541 10.7541 11.4082 11.4082 11.7824 11.7824 12.8257 12.8257 k = 0.5000 0.2146 0.8928 ( 3944 PWs) bands (ev): -19.2616 -19.2616 -6.0523 -6.0523 -4.2020 -4.2020 -4.0050 -4.0050 -1.7962 -1.7962 -1.6226 -1.6226 1.3053 1.3053 1.4357 1.4357 1.5804 1.5804 1.6221 1.6221 1.7864 1.7864 1.8007 1.8007 1.9310 1.9310 1.9560 1.9560 2.0187 2.0187 2.0582 2.0582 4.4643 4.4643 4.4958 4.4958 5.2989 5.2989 6.0524 6.0524 6.2745 6.2745 6.8944 6.8944 10.7730 10.7730 11.3780 11.3780 11.9269 11.9269 12.8533 12.8533 k = 0.5000 0.2146 0.8693 ( 3944 PWs) bands (ev): -19.2635 -19.2635 -6.0486 -6.0486 -4.1957 -4.1957 -4.0087 -4.0087 -1.8275 -1.8275 -1.6153 -1.6153 1.3055 1.3055 1.4448 1.4448 1.5747 1.5747 1.6185 1.6185 1.7883 1.7883 1.8008 1.8008 1.9255 1.9255 1.9521 1.9521 2.0159 2.0159 2.0619 2.0619 4.4962 4.4962 4.5291 4.5291 5.2860 5.2860 6.1015 6.1015 6.3098 6.3098 6.9396 6.9396 10.7778 10.7778 11.3462 11.3462 12.0760 12.0760 12.8816 12.8816 k = 0.5000 0.2146 0.8458 ( 3936 PWs) bands (ev): -19.2654 -19.2654 -6.0446 -6.0446 -4.1889 -4.1889 -4.0124 -4.0124 -1.8588 -1.8588 -1.6088 -1.6088 1.3057 1.3057 1.4529 1.4529 1.5688 1.5688 1.6154 1.6154 1.7906 1.7906 1.8006 1.8006 1.9197 1.9197 1.9489 1.9489 2.0134 2.0134 2.0652 2.0652 4.5279 4.5279 4.5628 4.5628 5.2730 5.2730 6.1531 6.1531 6.3501 6.3501 6.9916 6.9916 10.7687 10.7687 11.3130 11.3130 12.2283 12.2283 12.9099 12.9099 k = 0.5000 0.2146 0.8223 ( 3940 PWs) bands (ev): -19.2674 -19.2674 -6.0405 -6.0405 -4.1817 -4.1817 -4.0162 -4.0162 -1.8900 -1.8900 -1.6031 -1.6031 1.3059 1.3059 1.4596 1.4596 1.5627 1.5627 1.6127 1.6127 1.7927 1.7927 1.8004 1.8004 1.9139 1.9139 1.9465 1.9465 2.0113 2.0113 2.0679 2.0679 4.5592 4.5592 4.5967 4.5967 5.2609 5.2609 6.2073 6.2073 6.3945 6.3945 7.0504 7.0504 10.7473 10.7473 11.2782 11.2782 12.3812 12.3812 12.9379 12.9379 k = 0.5000 0.2146 0.7988 ( 3942 PWs) bands (ev): -19.2694 -19.2694 -6.0362 -6.0362 -4.1741 -4.1741 -4.0199 -4.0199 -1.9209 -1.9209 -1.5983 -1.5983 1.3062 1.3062 1.4649 1.4649 1.5566 1.5566 1.6103 1.6103 1.7927 1.7927 1.8021 1.8021 1.9085 1.9085 1.9448 1.9448 2.0096 2.0096 2.0700 2.0700 4.5896 4.5896 4.6317 4.6317 5.2506 5.2506 6.2639 6.2639 6.4422 6.4422 7.1157 7.1157 10.7157 10.7157 11.2421 11.2421 12.5286 12.5286 12.9672 12.9672 k = 0.5000 0.2146 0.7753 ( 3938 PWs) bands (ev): -19.2715 -19.2715 -6.0318 -6.0318 -4.1663 -4.1663 -4.0236 -4.0236 -1.9513 -1.9513 -1.5946 -1.5946 1.3065 1.3065 1.4688 1.4688 1.5503 1.5503 1.6080 1.6080 1.7900 1.7900 1.8068 1.8068 1.9037 1.9037 1.9436 1.9436 2.0084 2.0084 2.0713 2.0713 4.6182 4.6182 4.6685 4.6685 5.2427 5.2427 6.3229 6.3229 6.4922 6.4922 7.1871 7.1871 10.6766 10.6766 11.2046 11.2046 12.6556 12.6556 13.0078 13.0078 k = 0.5000 0.2146 0.7518 ( 3938 PWs) bands (ev): -19.2737 -19.2737 -6.0272 -6.0272 -4.1584 -4.1584 -4.0269 -4.0269 -1.9810 -1.9810 -1.5921 -1.5921 1.3068 1.3068 1.4712 1.4712 1.5439 1.5439 1.6055 1.6055 1.7853 1.7853 1.8132 1.8132 1.8997 1.8997 1.9429 1.9429 2.0077 2.0077 2.0719 2.0719 4.6445 4.6445 4.7080 4.7080 5.2378 5.2378 6.3840 6.3840 6.5438 6.5438 7.2642 7.2642 10.6325 10.6325 11.1657 11.1657 12.7312 12.7312 13.0846 13.0846 k = 0.5000 0.2146 0.7283 ( 3954 PWs) bands (ev): -19.2758 -19.2758 -6.0225 -6.0225 -4.1505 -4.1505 -4.0298 -4.0298 -2.0101 -2.0101 -1.5908 -1.5908 1.3072 1.3072 1.4724 1.4724 1.5374 1.5374 1.6025 1.6025 1.7793 1.7793 1.8210 1.8210 1.8965 1.8965 1.9426 1.9426 2.0075 2.0075 2.0717 2.0717 4.6685 4.6685 4.7503 4.7503 5.2365 5.2365 6.4470 6.4470 6.5963 6.5963 7.3461 7.3461 10.5862 10.5862 11.1257 11.1257 12.7387 12.7387 13.1653 13.1653 k = 0.5000 0.2146 0.7048 ( 3964 PWs) bands (ev): -19.2781 -19.2781 -6.0176 -6.0176 -4.1429 -4.1429 -4.0320 -4.0320 -2.0382 -2.0382 -1.5909 -1.5909 1.3077 1.3077 1.4724 1.4724 1.5308 1.5308 1.5990 1.5990 1.7722 1.7722 1.8300 1.8300 1.8942 1.8942 1.9426 1.9426 2.0080 2.0080 2.0708 2.0708 4.6904 4.6904 4.7956 4.7956 5.2393 5.2393 6.5117 6.5117 6.6489 6.6489 7.4324 7.4324 10.5401 10.5401 11.0843 11.0843 12.6967 12.6967 13.0267 13.0267 k = 0.5000 0.2146 0.6813 ( 3968 PWs) bands (ev): -19.2803 -19.2803 -6.0127 -6.0127 -4.1360 -4.1360 -4.0331 -4.0331 -2.0654 -2.0654 -1.5924 -1.5924 1.3081 1.3081 1.4714 1.4714 1.5241 1.5241 1.5947 1.5947 1.7642 1.7642 1.8399 1.8399 1.8927 1.8927 1.9430 1.9430 2.0091 2.0091 2.0694 2.0694 4.7106 4.7106 4.8436 4.8436 5.2464 5.2464 6.5777 6.5777 6.7012 6.7012 7.5222 7.5222 10.4964 10.4964 11.0415 11.0415 12.6257 12.6257 12.8859 12.8859 k = 0.5000 0.2146 0.6578 ( 3964 PWs) bands (ev): -19.2826 -19.2826 -6.0078 -6.0078 -4.1301 -4.1301 -4.0326 -4.0326 -2.0915 -2.0915 -1.5954 -1.5954 1.3087 1.3087 1.4697 1.4697 1.5173 1.5173 1.5896 1.5896 1.7556 1.7556 1.8503 1.8503 1.8918 1.8918 1.9436 1.9436 2.0111 2.0111 2.0674 2.0674 4.7296 4.7296 4.8942 4.8942 5.2581 5.2581 6.6440 6.6440 6.7530 6.7530 7.6146 7.6146 10.4569 10.4569 10.9970 10.9970 12.5384 12.5384 12.7459 12.7459 k = 0.5000 0.2146 0.6343 ( 3964 PWs) bands (ev): -19.2849 -19.2849 -6.0028 -6.0028 -4.1258 -4.1258 -4.0301 -4.0301 -2.1165 -2.1165 -1.5999 -1.5999 1.3093 1.3093 1.4673 1.4673 1.5105 1.5105 1.5838 1.5838 1.7466 1.7466 1.8607 1.8607 1.8914 1.8914 1.9442 1.9442 2.0140 2.0140 2.0651 2.0651 4.7476 4.7476 4.9475 4.9475 5.2745 5.2745 6.7091 6.7091 6.8050 6.8050 7.7087 7.7087 10.4234 10.4234 10.9507 10.9507 12.4429 12.4429 12.6074 12.6074 k = 0.5000 0.2146 0.6108 ( 3964 PWs) bands (ev): -19.2871 -19.2871 -5.9978 -5.9978 -4.1233 -4.1233 -4.0254 -4.0254 -2.1404 -2.1404 -1.6059 -1.6059 1.3100 1.3100 1.4643 1.4643 1.5036 1.5036 1.5773 1.5773 1.7373 1.7373 1.8704 1.8704 1.8918 1.8918 1.9447 1.9447 2.0181 2.0181 2.0628 2.0628 4.7648 4.7648 5.0034 5.0034 5.2958 5.2958 6.7699 6.7699 6.8594 6.8594 7.8036 7.8036 10.3972 10.3972 10.9021 10.9021 12.3446 12.3446 12.4714 12.4714 k = 0.5000 0.2146 0.5873 ( 3958 PWs) bands (ev): -19.2894 -19.2894 -5.9927 -5.9927 -4.1227 -4.1227 -4.0182 -4.0182 -2.1630 -2.1630 -1.6134 -1.6134 1.3107 1.3107 1.4608 1.4608 1.4966 1.4966 1.5702 1.5702 1.7280 1.7280 1.8784 1.8784 1.8935 1.8935 1.9451 1.9451 2.0234 2.0234 2.0606 2.0606 4.7817 4.7817 5.0618 5.0618 5.3220 5.3220 6.8224 6.8224 6.9194 6.9194 7.8982 7.8982 10.3794 10.3794 10.8506 10.8506 12.2473 12.2473 12.3388 12.3388 k = 0.5000 0.2146 0.5638 ( 3956 PWs) bands (ev): -19.2917 -19.2917 -5.9877 -5.9877 -4.1237 -4.1237 -4.0089 -4.0089 -2.1845 -2.1845 -1.6224 -1.6224 1.3115 1.3115 1.4568 1.4568 1.4896 1.4896 1.5627 1.5627 1.7187 1.7187 1.8832 1.8832 1.8973 1.8973 1.9451 1.9451 2.0299 2.0299 2.0589 2.0589 4.7983 4.7983 5.1227 5.1227 5.3530 5.3530 6.8642 6.8642 6.9865 6.9865 7.9914 7.9914 10.3708 10.3708 10.7958 10.7958 12.1535 12.1535 12.2108 12.2108 k = 0.5000 0.2146 0.5404 ( 3968 PWs) bands (ev): -19.2939 -19.2939 -5.9828 -5.9828 -4.1260 -4.1260 -3.9979 -3.9979 -2.2047 -2.2047 -1.6329 -1.6329 1.3124 1.3124 1.4524 1.4524 1.4826 1.4826 1.5548 1.5548 1.7096 1.7096 1.8851 1.8851 1.9028 1.9028 1.9448 1.9448 2.0373 2.0373 2.0582 2.0582 4.8148 4.8148 5.1860 5.1860 5.3888 5.3888 6.8965 6.8965 7.0592 7.0592 8.0821 8.0821 10.3718 10.3718 10.7369 10.7369 12.0642 12.0642 12.0895 12.0895 k = 0.5000 0.2146 0.5169 ( 3964 PWs) bands (ev): -19.2962 -19.2962 -5.9779 -5.9779 -4.1293 -4.1293 -3.9854 -3.9854 -2.2237 -2.2237 -1.6447 -1.6447 1.3133 1.3133 1.4476 1.4476 1.4757 1.4757 1.5466 1.5466 1.7007 1.7007 1.8855 1.8855 1.9080 1.9080 1.9442 1.9442 2.0444 2.0444 2.0600 2.0600 4.8314 4.8314 5.2517 5.2517 5.4292 5.4292 6.9205 6.9205 7.1355 7.1355 8.1691 8.1691 10.3823 10.3823 10.6734 10.6734 11.9664 11.9664 11.9909 11.9909 k = 0.5000 0.2146 0.4934 ( 3964 PWs) bands (ev): -19.2983 -19.2983 -5.9732 -5.9732 -4.1331 -4.1331 -3.9718 -3.9718 -2.2415 -2.2415 -1.6579 -1.6579 1.3143 1.3143 1.4425 1.4425 1.4688 1.4688 1.5382 1.5382 1.6921 1.6921 1.8854 1.8854 1.9120 1.9120 1.9437 1.9437 2.0486 2.0486 2.0665 2.0665 4.8481 4.8481 5.3196 5.3196 5.4741 5.4741 6.9375 6.9375 7.2143 7.2143 8.2512 8.2512 10.4016 10.4016 10.6049 10.6049 11.8593 11.8593 11.9182 11.9182 k = 0.5000 0.2146 0.4699 ( 3966 PWs) bands (ev): -19.3005 -19.3005 -5.9685 -5.9685 -4.1374 -4.1374 -3.9573 -3.9573 -2.2581 -2.2581 -1.6724 -1.6724 1.3153 1.3153 1.4370 1.4370 1.4620 1.4620 1.5297 1.5297 1.6839 1.6839 1.8848 1.8848 1.9144 1.9144 1.9436 1.9436 2.0506 2.0506 2.0769 2.0769 4.8651 4.8651 5.3897 5.3897 5.5232 5.5232 6.9480 6.9480 7.2946 7.2946 8.3273 8.3273 10.4264 10.4264 10.5331 10.5331 11.7590 11.7590 11.8575 11.8575 k = 0.5000 0.2146 0.4464 ( 3974 PWs) bands (ev): -19.3026 -19.3026 -5.9640 -5.9640 -4.1419 -4.1419 -3.9422 -3.9422 -2.2734 -2.2734 -1.6880 -1.6880 1.3164 1.3164 1.4312 1.4312 1.4554 1.4554 1.5212 1.5212 1.6759 1.6759 1.8838 1.8838 1.9151 1.9151 1.9442 1.9442 2.0521 2.0521 2.0892 2.0892 4.8824 4.8824 5.4616 5.4616 5.5765 5.5765 6.9525 6.9525 7.3760 7.3760 8.3963 8.3963 10.4244 10.4244 10.4881 10.4881 11.6676 11.6676 11.8087 11.8087 k = 0.5000 0.2146 0.4229 ( 3980 PWs) bands (ev): -19.3046 -19.3046 -5.9597 -5.9597 -4.1465 -4.1465 -3.9266 -3.9266 -2.2876 -2.2876 -1.7046 -1.7046 1.3175 1.3175 1.4253 1.4253 1.4489 1.4489 1.5127 1.5127 1.6683 1.6683 1.8824 1.8824 1.9146 1.9146 1.9455 1.9455 2.0538 2.0538 2.1022 2.1022 4.8999 4.8999 5.5353 5.5353 5.6336 5.6336 6.9518 6.9518 7.4582 7.4582 8.4571 8.4571 10.3478 10.3478 10.5150 10.5150 11.5856 11.5856 11.7725 11.7725 k = 0.5000 0.2146 0.3994 ( 3978 PWs) bands (ev): -19.3066 -19.3066 -5.9556 -5.9556 -4.1511 -4.1511 -3.9107 -3.9107 -2.3007 -2.3007 -1.7220 -1.7220 1.3186 1.3186 1.4192 1.4192 1.4426 1.4426 1.5043 1.5043 1.6610 1.6610 1.8807 1.8807 1.9133 1.9133 1.9473 1.9473 2.0557 2.0557 2.1155 2.1155 4.9177 4.9177 5.6102 5.6102 5.6944 5.6944 6.9464 6.9464 7.5406 7.5406 8.5091 8.5091 10.2543 10.2543 10.5524 10.5524 11.5132 11.5132 11.7496 11.7496 k = 0.5000 0.2146 0.3759 ( 3982 PWs) bands (ev): -19.3085 -19.3085 -5.9516 -5.9516 -4.1555 -4.1555 -3.8946 -3.8946 -2.3127 -2.3127 -1.7402 -1.7402 1.3197 1.3197 1.4131 1.4131 1.4365 1.4365 1.4961 1.4961 1.6540 1.6540 1.8786 1.8786 1.9116 1.9116 1.9493 1.9493 2.0579 2.0579 2.1289 2.1289 4.9357 4.9357 5.6859 5.6859 5.7589 5.7589 6.9370 6.9370 7.6231 7.6231 8.5518 8.5518 10.1537 10.1537 10.5857 10.5857 11.4499 11.4499 11.7402 11.7402 k = 0.5000 0.2146 0.3524 ( 3990 PWs) bands (ev): -19.3103 -19.3103 -5.9479 -5.9479 -4.1598 -4.1598 -3.8784 -3.8784 -2.3236 -2.3236 -1.7589 -1.7589 1.3207 1.3207 1.4071 1.4071 1.4305 1.4305 1.4880 1.4880 1.6474 1.6474 1.8763 1.8763 1.9100 1.9100 1.9514 1.9514 2.0603 2.0603 2.1420 2.1420 4.9538 4.9538 5.7616 5.7616 5.8271 5.8271 6.9245 6.9245 7.7050 7.7050 8.5851 8.5851 10.0478 10.0478 10.6070 10.6070 11.3951 11.3951 11.7444 11.7444 k = 0.5000 0.2146 0.3289 ( 3982 PWs) bands (ev): -19.3120 -19.3120 -5.9443 -5.9443 -4.1640 -4.1640 -3.8622 -3.8622 -2.3335 -2.3335 -1.7780 -1.7780 1.3217 1.3217 1.4013 1.4013 1.4247 1.4247 1.4802 1.4802 1.6412 1.6412 1.8737 1.8737 1.9086 1.9086 1.9535 1.9535 2.0628 2.0628 2.1548 2.1548 4.9720 4.9720 5.8366 5.8366 5.8990 5.8990 6.9095 6.9095 7.7861 7.7861 8.6092 8.6092 9.9381 9.9381 10.6088 10.6088 11.3480 11.3480 11.7607 11.7607 k = 0.5000 0.2146 0.3054 ( 3984 PWs) bands (ev): -19.3136 -19.3136 -5.9410 -5.9410 -4.1679 -4.1679 -3.8463 -3.8463 -2.3424 -2.3424 -1.7972 -1.7972 1.3225 1.3225 1.3958 1.3958 1.4191 1.4191 1.4726 1.4726 1.6354 1.6354 1.8711 1.8711 1.9074 1.9074 1.9555 1.9555 2.0655 2.0655 2.1670 2.1670 4.9901 4.9901 5.9102 5.9102 5.9743 5.9743 6.8928 6.8928 7.8659 7.8659 8.6248 8.6248 9.8257 9.8257 10.5865 10.5865 11.3076 11.3076 11.7705 11.7705 k = 0.5000 0.2146 0.2819 ( 3992 PWs) bands (ev): -19.3152 -19.3152 -5.9380 -5.9380 -4.1715 -4.1715 -3.8307 -3.8307 -2.3504 -2.3504 -1.8164 -1.8164 1.3232 1.3232 1.3908 1.3908 1.4137 1.4137 1.4654 1.4654 1.6298 1.6298 1.8685 1.8685 1.9064 1.9064 1.9574 1.9574 2.0681 2.0681 2.1787 2.1787 5.0080 5.0080 5.9821 5.9821 6.0524 6.0524 6.8750 6.8750 7.9437 7.9437 8.6327 8.6327 9.7121 9.7121 10.5406 10.5406 11.2731 11.2731 11.8022 11.8022 k = 0.5000 0.2146 0.2584 ( 3980 PWs) bands (ev): -19.3166 -19.3166 -5.9352 -5.9352 -4.1749 -4.1749 -3.8156 -3.8156 -2.3574 -2.3574 -1.8352 -1.8352 1.3237 1.3237 1.3863 1.3863 1.4086 1.4086 1.4585 1.4585 1.6247 1.6247 1.8660 1.8660 1.9057 1.9057 1.9591 1.9591 2.0707 2.0707 2.1896 2.1896 5.0254 5.0254 6.0519 6.0519 6.1322 6.1322 6.8570 6.8570 8.0191 8.0191 8.6341 8.6341 9.5984 9.5984 10.4758 10.4758 11.2438 11.2438 11.8564 11.8564 k = 0.5000 0.2146 0.2349 ( 3976 PWs) bands (ev): -19.3180 -19.3180 -5.9326 -5.9326 -4.1779 -4.1779 -3.8011 -3.8011 -2.3636 -2.3636 -1.8535 -1.8535 1.3239 1.3239 1.3824 1.3824 1.4037 1.4037 1.4520 1.4520 1.6201 1.6201 1.8637 1.8637 1.9051 1.9051 1.9608 1.9608 2.0732 2.0732 2.1998 2.1998 5.0423 5.0423 6.1196 6.1196 6.2126 6.2126 6.8393 6.8393 8.0912 8.0912 8.6305 8.6305 9.4859 9.4859 10.3988 10.3988 11.2190 11.2190 11.9186 11.9186 k = 0.5000 0.2146 0.2114 ( 3980 PWs) bands (ev): -19.3192 -19.3192 -5.9303 -5.9303 -4.1807 -4.1807 -3.7874 -3.7874 -2.3691 -2.3691 -1.8711 -1.8711 1.3239 1.3239 1.3791 1.3791 1.3991 1.3991 1.4459 1.4459 1.6157 1.6157 1.8616 1.8616 1.9047 1.9047 1.9623 1.9623 2.0756 2.0756 2.2092 2.2092 5.0584 5.0584 6.1844 6.1844 6.2924 6.2924 6.8226 6.8226 8.1592 8.1592 8.6233 8.6233 9.3760 9.3760 10.3156 10.3156 11.1983 11.1983 11.9833 11.9833 k = 0.5000 0.2146 0.1879 ( 3982 PWs) bands (ev): -19.3203 -19.3203 -5.9283 -5.9283 -4.1832 -4.1832 -3.7746 -3.7746 -2.3737 -2.3737 -1.8877 -1.8877 1.3235 1.3235 1.3765 1.3765 1.3948 1.3948 1.4403 1.4403 1.6118 1.6118 1.8598 1.8598 1.9044 1.9044 1.9636 1.9636 2.0777 2.0777 2.2177 2.2177 5.0736 5.0736 6.2458 6.2458 6.3704 6.3704 6.8076 6.8076 8.2223 8.2223 8.6139 8.6139 9.2700 9.2700 10.2311 10.2311 11.1811 11.1811 12.0499 12.0499 k = 0.5000 0.2146 0.1645 ( 3982 PWs) bands (ev): -19.3213 -19.3213 -5.9265 -5.9265 -4.1853 -4.1853 -3.7629 -3.7629 -2.3777 -2.3777 -1.9030 -1.9030 1.3229 1.3229 1.3746 1.3746 1.3909 1.3909 1.4351 1.4351 1.6083 1.6083 1.8582 1.8582 1.9042 1.9042 1.9648 1.9648 2.0798 2.0798 2.2252 2.2252 5.0876 5.0876 6.3027 6.3027 6.4450 6.4450 6.7950 6.7950 8.2793 8.2793 8.6040 8.6040 9.1693 9.1693 10.1491 10.1491 11.1669 11.1669 12.1169 12.1169 k = 0.5000 0.2146 0.1410 ( 3978 PWs) bands (ev): -19.3221 -19.3221 -5.9249 -5.9249 -4.1872 -4.1872 -3.7524 -3.7524 -2.3809 -2.3809 -1.9169 -1.9169 1.3222 1.3222 1.3732 1.3732 1.3876 1.3876 1.4305 1.4305 1.6052 1.6052 1.8569 1.8569 1.9041 1.9041 1.9659 1.9659 2.0816 2.0816 2.2318 2.2318 5.1002 5.1002 6.3541 6.3541 6.5145 6.5145 6.7854 6.7854 8.3288 8.3288 8.5953 8.5953 9.0757 9.0757 10.0725 10.0725 11.1554 11.1554 12.1824 12.1824 k = 0.5000 0.2146 0.1175 ( 3978 PWs) bands (ev): -19.3229 -19.3229 -5.9236 -5.9236 -4.1888 -4.1888 -3.7433 -3.7433 -2.3836 -2.3836 -1.9291 -1.9291 1.3213 1.3213 1.3723 1.3723 1.3847 1.3847 1.4265 1.4265 1.6026 1.6026 1.8558 1.8558 1.9041 1.9041 1.9668 1.9668 2.0831 2.0831 2.2375 2.2375 5.1113 5.1113 6.3990 6.3990 6.5765 6.5765 6.7800 6.7800 8.3695 8.3695 8.5892 8.5892 8.9911 8.9911 10.0037 10.0037 11.1462 11.1462 12.2441 12.2441 k = 0.5000 0.2146 0.0940 ( 3982 PWs) bands (ev): -19.3235 -19.3235 -5.9225 -5.9225 -4.1901 -4.1901 -3.7356 -3.7356 -2.3857 -2.3857 -1.9393 -1.9393 1.3205 1.3205 1.3716 1.3716 1.3825 1.3825 1.4230 1.4230 1.6004 1.6004 1.8549 1.8549 1.9040 1.9040 1.9675 1.9675 2.0844 2.0844 2.2421 2.2421 5.1206 5.1206 6.4363 6.4363 6.6282 6.6282 6.7799 6.7799 8.4001 8.4001 8.5871 8.5871 8.9173 8.9173 9.9447 9.9447 11.1390 11.1390 12.2995 12.2995 k = 0.5000 0.2146 0.0705 ( 3994 PWs) bands (ev): -19.3239 -19.3239 -5.9217 -5.9217 -4.1910 -4.1910 -3.7295 -3.7295 -2.3873 -2.3873 -1.9475 -1.9475 1.3197 1.3197 1.3711 1.3711 1.3808 1.3808 1.4202 1.4202 1.5987 1.5987 1.8542 1.8542 1.9040 1.9040 1.9681 1.9681 2.0854 2.0854 2.2457 2.2457 5.1280 5.1280 6.4653 6.4653 6.6664 6.6664 6.7861 6.7861 8.4206 8.4206 8.5891 8.5891 8.8567 8.8567 9.8969 9.8969 11.1337 11.1337 12.3461 12.3461 k = 0.5000 0.2146 0.0470 ( 3998 PWs) bands (ev): -19.3243 -19.3243 -5.9211 -5.9211 -4.1917 -4.1917 -3.7251 -3.7251 -2.3884 -2.3884 -1.9535 -1.9535 1.3191 1.3191 1.3707 1.3707 1.3798 1.3798 1.4182 1.4182 1.5975 1.5975 1.8538 1.8538 1.9040 1.9040 1.9685 1.9685 2.0861 2.0861 2.2483 2.2483 5.1335 5.1335 6.4857 6.4857 6.6899 6.6899 6.7972 6.7972 8.4323 8.4323 8.5934 8.5934 8.8114 8.8114 9.8618 9.8618 11.1300 11.1300 12.3816 12.3816 k = 0.5000 0.2146 0.0235 ( 3998 PWs) bands (ev): -19.3245 -19.3245 -5.9207 -5.9207 -4.1922 -4.1922 -3.7224 -3.7224 -2.3891 -2.3891 -1.9571 -1.9571 1.3187 1.3187 1.3705 1.3705 1.3792 1.3792 1.4169 1.4169 1.5968 1.5968 1.8535 1.8535 1.9040 1.9040 1.9687 1.9687 2.0865 2.0865 2.2499 2.2499 5.1367 5.1367 6.4978 6.4978 6.7015 6.7015 6.8076 6.8076 8.4379 8.4379 8.5975 8.5975 8.7834 8.7834 9.8403 9.8403 11.1278 11.1278 12.4038 12.4038 k = 0.5000 0.2146-0.0000 ( 3988 PWs) bands (ev): -19.3246 -19.3246 -5.9206 -5.9206 -4.1923 -4.1923 -3.7215 -3.7215 -2.3893 -2.3893 -1.9583 -1.9583 1.3186 1.3186 1.3704 1.3704 1.3791 1.3791 1.4166 1.4166 1.5966 1.5966 1.8535 1.8535 1.9040 1.9040 1.9688 1.9688 2.0867 2.0867 2.2504 2.2504 5.1378 5.1378 6.5018 6.5018 6.7050 6.7050 6.8118 6.8118 8.4396 8.4396 8.5991 8.5991 8.7739 8.7739 9.8331 9.8331 11.1271 11.1271 12.4113 12.4113 k = 0.0000 0.0000 1.2679 ( 3936 PWs) bands (ev): -19.2462 -19.2462 -6.0823 -6.0823 -4.2472 -4.2472 -3.9741 -3.9741 -1.7214 -1.7214 -1.4792 -1.4792 1.3043 1.3043 1.3174 1.3174 1.6402 1.6402 1.6829 1.6829 1.7742 1.7742 1.7846 1.7846 1.9627 1.9627 2.0101 2.0101 2.0187 2.0187 2.0609 2.0609 4.0164 4.0164 4.2592 4.2592 5.2791 5.2791 5.6577 5.6577 6.3126 6.3126 6.7666 6.7666 10.0712 10.0712 10.5831 10.5831 11.6573 11.6573 12.5959 12.5959 k = 0.0208 0.0089 1.2679 ( 3946 PWs) bands (ev): -19.2462 -19.2462 -6.0823 -6.0823 -4.2472 -4.2472 -3.9741 -3.9741 -1.7214 -1.7214 -1.4792 -1.4792 1.3044 1.3044 1.3174 1.3174 1.6403 1.6403 1.6827 1.6827 1.7742 1.7742 1.7845 1.7845 1.9629 1.9629 2.0101 2.0101 2.0187 2.0187 2.0607 2.0607 4.0171 4.0171 4.2578 4.2578 5.2799 5.2799 5.6607 5.6607 6.3098 6.3098 6.7645 6.7645 10.0785 10.0785 10.5872 10.5872 11.6512 11.6512 12.5596 12.5596 k = 0.0417 0.0179 1.2679 ( 3954 PWs) bands (ev): -19.2462 -19.2462 -6.0823 -6.0823 -4.2472 -4.2472 -3.9741 -3.9741 -1.7214 -1.7214 -1.4792 -1.4792 1.3046 1.3046 1.3172 1.3172 1.6407 1.6407 1.6823 1.6823 1.7742 1.7742 1.7845 1.7845 1.9634 1.9634 2.0099 2.0099 2.0188 2.0188 2.0601 2.0601 4.0194 4.0194 4.2536 4.2536 5.2822 5.2822 5.6696 5.6696 6.3015 6.3015 6.7586 6.7586 10.1003 10.1003 10.5995 10.5995 11.6333 11.6333 12.4653 12.4653 k = 0.0625 0.0268 1.2679 ( 3958 PWs) bands (ev): -19.2462 -19.2462 -6.0823 -6.0823 -4.2472 -4.2472 -3.9741 -3.9741 -1.7214 -1.7214 -1.4793 -1.4793 1.3048 1.3048 1.3169 1.3169 1.6415 1.6415 1.6815 1.6815 1.7743 1.7743 1.7844 1.7844 1.9642 1.9642 2.0095 2.0095 2.0189 2.0189 2.0591 2.0591 4.0233 4.0233 4.2467 4.2467 5.2860 5.2860 5.6843 5.6843 6.2879 6.2879 6.7492 6.7492 10.1363 10.1363 10.6198 10.6198 11.6041 11.6041 12.3380 12.3380 k = 0.0833 0.0358 1.2679 ( 3958 PWs) bands (ev): -19.2462 -19.2462 -6.0823 -6.0823 -4.2472 -4.2472 -3.9741 -3.9741 -1.7214 -1.7214 -1.4793 -1.4793 1.3053 1.3053 1.3166 1.3166 1.6425 1.6425 1.6804 1.6804 1.7744 1.7744 1.7842 1.7842 1.9654 1.9654 2.0091 2.0091 2.0191 2.0191 2.0579 2.0579 4.0287 4.0287 4.2375 4.2375 5.2909 5.2909 5.7042 5.7042 6.2692 6.2692 6.7369 6.7369 10.1859 10.1859 10.6477 10.6477 11.5650 11.5650 12.1944 12.1944 k = 0.1042 0.0447 1.2679 ( 3968 PWs) bands (ev): -19.2462 -19.2462 -6.0823 -6.0823 -4.2472 -4.2472 -3.9741 -3.9741 -1.7213 -1.7213 -1.4793 -1.4793 1.3057 1.3057 1.3162 1.3162 1.6438 1.6438 1.6791 1.6791 1.7746 1.7746 1.7840 1.7840 1.9668 1.9668 2.0085 2.0085 2.0194 2.0194 2.0564 2.0564 4.0355 4.0355 4.2263 4.2263 5.2967 5.2967 5.7291 5.7291 6.2458 6.2458 6.7226 6.7226 10.2483 10.2483 10.6829 10.6829 11.5170 11.5170 12.0435 12.0435 k = 0.1250 0.0536 1.2679 ( 3964 PWs) bands (ev): -19.2462 -19.2462 -6.0823 -6.0823 -4.2472 -4.2472 -3.9741 -3.9741 -1.7213 -1.7213 -1.4794 -1.4794 1.3063 1.3063 1.3157 1.3157 1.6453 1.6453 1.6776 1.6776 1.7748 1.7748 1.7839 1.7839 1.9685 1.9685 2.0078 2.0078 2.0197 2.0197 2.0547 2.0547 4.0437 4.0437 4.2134 4.2134 5.3029 5.3029 5.7584 5.7584 6.2181 6.2181 6.7073 6.7073 10.3227 10.3227 10.7249 10.7249 11.4617 11.4617 11.8901 11.8901 k = 0.1458 0.0626 1.2679 ( 3968 PWs) bands (ev): -19.2462 -19.2462 -6.0823 -6.0823 -4.2472 -4.2472 -3.9741 -3.9741 -1.7213 -1.7213 -1.4794 -1.4794 1.3070 1.3070 1.3150 1.3150 1.6469 1.6469 1.6758 1.6758 1.7749 1.7749 1.7837 1.7837 1.9702 1.9702 2.0071 2.0071 2.0200 2.0200 2.0530 2.0530 4.0533 4.0533 4.1993 4.1993 5.3093 5.3093 5.7913 5.7913 6.1866 6.1866 6.6920 6.6920 10.4082 10.4082 10.7732 10.7732 11.4001 11.4001 11.7373 11.7373 k = 0.1667 0.0715 1.2679 ( 3970 PWs) bands (ev): -19.2462 -19.2462 -6.0823 -6.0823 -4.2472 -4.2472 -3.9741 -3.9741 -1.7212 -1.7212 -1.4795 -1.4795 1.3078 1.3078 1.3144 1.3144 1.6487 1.6487 1.6741 1.6741 1.7751 1.7751 1.7835 1.7835 1.9720 1.9720 2.0063 2.0063 2.0203 2.0203 2.0514 2.0514 4.0640 4.0640 4.1843 4.1843 5.3153 5.3153 5.8274 5.8274 6.1519 6.1519 6.6778 6.6778 10.5036 10.5036 10.8272 10.8272 11.3332 11.3332 11.5875 11.5875 k = 0.1875 0.0805 1.2679 ( 3968 PWs) bands (ev): -19.2462 -19.2462 -6.0823 -6.0823 -4.2472 -4.2472 -3.9741 -3.9741 -1.7212 -1.7212 -1.4795 -1.4795 1.3086 1.3086 1.3136 1.3136 1.6505 1.6505 1.6723 1.6723 1.7752 1.7752 1.7833 1.7833 1.9736 1.9736 2.0055 2.0055 2.0207 2.0207 2.0500 2.0500 4.0759 4.0759 4.1688 4.1688 5.3206 5.3206 5.8659 5.8659 6.1145 6.1145 6.6656 6.6656 10.6075 10.6075 10.8862 10.8862 11.2611 11.2611 11.4436 11.4436 k = 0.2083 0.0894 1.2679 ( 3974 PWs) bands (ev): -19.2462 -19.2462 -6.0823 -6.0823 -4.2472 -4.2472 -3.9741 -3.9741 -1.7212 -1.7212 -1.4795 -1.4795 1.3093 1.3093 1.3128 1.3128 1.6520 1.6520 1.6707 1.6707 1.7753 1.7753 1.7832 1.7832 1.9749 1.9749 2.0048 2.0048 2.0209 2.0209 2.0488 2.0488 4.0885 4.0885 4.1535 4.1535 5.3246 5.3246 5.9060 5.9060 6.0753 6.0753 6.6562 6.6562 10.7181 10.7181 10.9495 10.9495 11.1816 11.1816 11.3108 11.3108 k = 0.2292 0.0983 1.2679 ( 3970 PWs) bands (ev): -19.2462 -19.2462 -6.0823 -6.0823 -4.2472 -4.2472 -3.9741 -3.9741 -1.7211 -1.7211 -1.4795 -1.4795 1.3102 1.3102 1.3120 1.3120 1.6532 1.6532 1.6696 1.6696 1.7754 1.7754 1.7831 1.7831 1.9757 1.9757 2.0044 2.0044 2.0211 2.0211 2.0481 2.0481 4.1009 4.1009 4.1394 4.1394 5.3272 5.3272 5.9464 5.9464 6.0354 6.0354 6.6503 6.6503 10.8304 10.8304 11.0156 11.0156 11.0913 11.0913 11.1997 11.1997 k = 0.2500 0.1073 1.2679 ( 3960 PWs) bands (ev): -19.2462 -19.2462 -6.0823 -6.0823 -4.2472 -4.2472 -3.9741 -3.9741 -1.7211 -1.7211 -1.4795 -1.4795 1.3108 1.3108 1.3115 1.3115 1.6536 1.6536 1.6692 1.6692 1.7754 1.7754 1.7831 1.7831 1.9760 1.9760 2.0043 2.0043 2.0212 2.0212 2.0478 2.0478 4.1083 4.1083 4.1314 4.1314 5.3281 5.3281 5.9762 5.9762 6.0058 6.0058 6.6483 6.6483 10.9069 10.9069 11.0194 11.0194 11.0669 11.0669 11.1362 11.1362 Writing output data file BaxZnAsx2.save init_run : 0.38s CPU 0.51s WALL ( 1 calls) electrons : 210.78s CPU 213.22s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.04s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 210.78s CPU 213.22s 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 : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.06s CPU 0.09s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.06s WALL ( 332 calls) cegterg : 186.16s CPU 187.98s WALL ( 349 calls) Called by sum_band: Called by *egterg: h_psi : 143.19s CPU 144.77s WALL ( 6104 calls) s_psi : 4.46s CPU 4.45s WALL ( 6104 calls) g_psi : 0.23s CPU 0.21s WALL ( 5423 calls) cdiaghg : 42.38s CPU 42.99s WALL ( 5755 calls) cegterg:over : 5.05s CPU 5.11s WALL ( 5423 calls) cegterg:upda : 4.19s CPU 4.16s WALL ( 5423 calls) cegterg:last : 2.32s CPU 2.29s WALL ( 1013 calls) cdiaghg:chol : 2.43s CPU 2.44s WALL ( 5755 calls) cdiaghg:inve : 1.55s CPU 1.61s WALL ( 5755 calls) cdiaghg:para : 2.60s CPU 2.59s WALL ( 11510 calls) Called by h_psi: h_psi:vloc : 133.69s CPU 135.13s WALL ( 6104 calls) h_psi:vnl : 9.26s CPU 9.44s WALL ( 6104 calls) add_vuspsi : 4.73s CPU 4.77s WALL ( 6104 calls) General routines calbec : 4.52s CPU 4.66s WALL ( 6104 calls) fft : 0.02s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 123.78s CPU 125.06s WALL ( 715808 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.23s CPU 0.24s WALL ( 664 calls) Parallel routines fft_scatter : 37.54s CPU 37.93s WALL ( 715831 calls) PWSCF : 3m46.93s CPU 4m 5.24s WALL This run was terminated on: 19:41:52 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. 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