Program PWSCF v.5.4.0 starts on 22Mar2017 at 4:35:17 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 & OpenMP), running on 144 processor cores Number of MPI processes: 72 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 72 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: ./CsH3O2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 61 60 17 1369 1337 201 Max 62 61 18 1371 1355 203 Sum 4411 4351 1225 98631 96871 14533 bravais-lattice index = 14 lattice parameter (alat) = 15.7415 a.u. unit-cell volume = 1001.4890 (a.u.)^3 number of atoms/cell = 12 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 15.741491 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.861707 celldm(5)= -0.861707 celldm(6)= 0.723415 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.723415 0.690413 0.000000 ) a(3) = ( -0.861707 -0.345207 0.371877 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.047800 1.344531 ) b(2) = ( 0.000000 1.448407 1.344531 ) b(3) = ( 0.000000 0.000000 2.689061 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Cs read from file: /users/gautes/Pseudo/Cs.rel-pbe-oncvpsp.UPF MD5 check sum: b26d75608c6aa7e713949ad9f7a49707 Pseudo is Norm-conserving, Zval = 9.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 2414 points, 14 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 l(11) = 3 l(12) = 3 l(13) = 3 l(14) = 3 atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) H 1.00 1.00790 H( 1.00) Cs 9.00 132.90550 Cs( 1.00) 4 Sym. Ops., with inversion, found ( 3 have fractional translation) 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 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 1 1 1 ) ( 0.0000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.1382925 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.3452067 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.5000000 ) ( -1 -1 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.3617075 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.3452067 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) 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= 309 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032362 k( 2) = ( 0.0000000 0.0000000 0.0263633), wk = 0.0032362 k( 3) = ( 0.0000000 0.0000000 0.0527267), wk = 0.0032362 k( 4) = ( 0.0000000 0.0000000 0.0790900), wk = 0.0032362 k( 5) = ( 0.0000000 0.0000000 0.1054534), wk = 0.0032362 k( 6) = ( 0.0000000 0.0000000 0.1318167), wk = 0.0032362 k( 7) = ( 0.0000000 0.0000000 0.1581801), wk = 0.0032362 k( 8) = ( 0.0000000 0.0000000 0.1845434), wk = 0.0032362 k( 9) = ( 0.0000000 0.0000000 0.2109067), wk = 0.0032362 k( 10) = ( 0.0000000 0.0000000 0.2372701), wk = 0.0032362 k( 11) = ( 0.0000000 0.0000000 0.2636334), wk = 0.0032362 k( 12) = ( 0.0000000 0.0000000 0.2899968), wk = 0.0032362 k( 13) = ( 0.0000000 0.0000000 0.3163601), wk = 0.0032362 k( 14) = ( 0.0000000 0.0000000 0.3427235), wk = 0.0032362 k( 15) = ( 0.0000000 0.0000000 0.3690868), wk = 0.0032362 k( 16) = ( 0.0000000 0.0000000 0.3954501), wk = 0.0032362 k( 17) = ( 0.0000000 0.0000000 0.4218135), wk = 0.0032362 k( 18) = ( 0.0000000 0.0000000 0.4481768), wk = 0.0032362 k( 19) = ( 0.0000000 0.0000000 0.4745402), wk = 0.0032362 k( 20) = ( 0.0000000 0.0000000 0.5009035), wk = 0.0032362 k( 21) = ( 0.0000000 0.0000000 0.5272669), wk = 0.0032362 k( 22) = ( 0.0000000 0.0000000 0.5536302), wk = 0.0032362 k( 23) = ( 0.0000000 0.0000000 0.5799935), wk = 0.0032362 k( 24) = ( 0.0000000 0.0000000 0.6063569), wk = 0.0032362 k( 25) = ( 0.0000000 0.0000000 0.6327202), wk = 0.0032362 k( 26) = ( 0.0000000 0.0000000 0.6590836), wk = 0.0032362 k( 27) = ( 0.0000000 0.0000000 0.6854469), wk = 0.0032362 k( 28) = ( 0.0000000 0.0000000 0.7118103), wk = 0.0032362 k( 29) = ( 0.0000000 0.0000000 0.7381736), wk = 0.0032362 k( 30) = ( 0.0000000 0.0000000 0.7645370), wk = 0.0032362 k( 31) = ( 0.0000000 0.0000000 0.7909003), wk = 0.0032362 k( 32) = ( 0.0000000 0.0000000 0.8172636), wk = 0.0032362 k( 33) = ( 0.0000000 0.0000000 0.8436270), wk = 0.0032362 k( 34) = ( 0.0000000 0.0000000 0.8699903), wk = 0.0032362 k( 35) = ( 0.0000000 0.0000000 0.8963537), wk = 0.0032362 k( 36) = ( 0.0000000 0.0000000 0.9227170), wk = 0.0032362 k( 37) = ( 0.0000000 0.0000000 0.9490804), wk = 0.0032362 k( 38) = ( 0.0000000 0.0000000 0.9754437), wk = 0.0032362 k( 39) = ( 0.0000000 0.0000000 1.0018070), wk = 0.0032362 k( 40) = ( 0.0000000 0.0000000 1.0281704), wk = 0.0032362 k( 41) = ( 0.0000000 0.0000000 1.0545337), wk = 0.0032362 k( 42) = ( 0.0000000 0.0000000 1.0808971), wk = 0.0032362 k( 43) = ( 0.0000000 0.0000000 1.1072604), wk = 0.0032362 k( 44) = ( 0.0000000 0.0000000 1.1336238), wk = 0.0032362 k( 45) = ( 0.0000000 0.0000000 1.1599871), wk = 0.0032362 k( 46) = ( 0.0000000 0.0000000 1.1863504), wk = 0.0032362 k( 47) = ( 0.0000000 0.0000000 1.2127138), wk = 0.0032362 k( 48) = ( 0.0000000 0.0000000 1.2390771), wk = 0.0032362 k( 49) = ( 0.0000000 0.0000000 1.2654405), wk = 0.0032362 k( 50) = ( 0.0000000 0.0000000 1.2918038), wk = 0.0032362 k( 51) = ( 0.0000000 0.0000000 1.3181672), wk = 0.0032362 k( 52) = ( 0.0000000 0.0000000 1.3445305), wk = 0.0032362 k( 53) = ( 0.0000000 0.0000000 1.3445305), wk = 0.0032362 k( 54) = ( -0.0080243 0.0200304 1.3445305), wk = 0.0032362 k( 55) = ( -0.0160487 0.0400608 1.3445305), wk = 0.0032362 k( 56) = ( -0.0240730 0.0600912 1.3445305), wk = 0.0032362 k( 57) = ( -0.0320973 0.0801216 1.3445305), wk = 0.0032362 k( 58) = ( -0.0401217 0.1001519 1.3445305), wk = 0.0032362 k( 59) = ( -0.0401217 0.1001519 1.3445305), wk = 0.0032362 k( 60) = ( -0.0470895 0.1175452 1.3257935), wk = 0.0032362 k( 61) = ( -0.0540574 0.1349384 1.3070565), wk = 0.0032362 k( 62) = ( -0.0610252 0.1523316 1.2883196), wk = 0.0032362 k( 63) = ( -0.0679931 0.1697248 1.2695826), wk = 0.0032362 k( 64) = ( -0.0749609 0.1871180 1.2508456), wk = 0.0032362 k( 65) = ( -0.0819288 0.2045112 1.2321086), wk = 0.0032362 k( 66) = ( -0.0888966 0.2219044 1.2133716), wk = 0.0032362 k( 67) = ( -0.0958645 0.2392976 1.1946346), wk = 0.0032362 k( 68) = ( -0.1028323 0.2566908 1.1758977), wk = 0.0032362 k( 69) = ( -0.1098002 0.2740840 1.1571607), wk = 0.0032362 k( 70) = ( -0.1167680 0.2914772 1.1384237), wk = 0.0032362 k( 71) = ( -0.1237359 0.3088704 1.1196867), wk = 0.0032362 k( 72) = ( -0.1307038 0.3262636 1.1009497), wk = 0.0032362 k( 73) = ( -0.1376716 0.3436568 1.0822127), wk = 0.0032362 k( 74) = ( -0.1446395 0.3610500 1.0634757), wk = 0.0032362 k( 75) = ( -0.1516073 0.3784432 1.0447388), wk = 0.0032362 k( 76) = ( -0.1585752 0.3958364 1.0260018), wk = 0.0032362 k( 77) = ( -0.1655430 0.4132296 1.0072648), wk = 0.0032362 k( 78) = ( -0.1725109 0.4306228 0.9885278), wk = 0.0032362 k( 79) = ( -0.1794787 0.4480161 0.9697908), wk = 0.0032362 k( 80) = ( -0.1864466 0.4654093 0.9510538), wk = 0.0032362 k( 81) = ( -0.1934144 0.4828025 0.9323169), wk = 0.0032362 k( 82) = ( -0.2003823 0.5001957 0.9135799), wk = 0.0032362 k( 83) = ( -0.2073501 0.5175889 0.8948429), wk = 0.0032362 k( 84) = ( -0.2143180 0.5349821 0.8761059), wk = 0.0032362 k( 85) = ( -0.2212859 0.5523753 0.8573689), wk = 0.0032362 k( 86) = ( -0.2282537 0.5697685 0.8386319), wk = 0.0032362 k( 87) = ( -0.2352216 0.5871617 0.8198950), wk = 0.0032362 k( 88) = ( -0.2421894 0.6045549 0.8011580), wk = 0.0032362 k( 89) = ( -0.2491573 0.6219481 0.7824210), wk = 0.0032362 k( 90) = ( -0.2561251 0.6393413 0.7636840), wk = 0.0032362 k( 91) = ( -0.2630930 0.6567345 0.7449470), wk = 0.0032362 k( 92) = ( -0.2700608 0.6741277 0.7262101), wk = 0.0032362 k( 93) = ( -0.2700608 0.6741277 0.7262101), wk = 0.0032362 k( 94) = ( -0.2631362 0.6568424 0.7075893), wk = 0.0032362 k( 95) = ( -0.2562116 0.6395571 0.6889685), wk = 0.0032362 k( 96) = ( -0.2492869 0.6222717 0.6703477), wk = 0.0032362 k( 97) = ( -0.2423623 0.6049864 0.6517270), wk = 0.0032362 k( 98) = ( -0.2354376 0.5877011 0.6331062), wk = 0.0032362 k( 99) = ( -0.2285130 0.5704158 0.6144854), wk = 0.0032362 k( 100) = ( -0.2215884 0.5531304 0.5958646), wk = 0.0032362 k( 101) = ( -0.2146637 0.5358451 0.5772439), wk = 0.0032362 k( 102) = ( -0.2077391 0.5185598 0.5586231), wk = 0.0032362 k( 103) = ( -0.2008145 0.5012745 0.5400023), wk = 0.0032362 k( 104) = ( -0.1938898 0.4839891 0.5213816), wk = 0.0032362 k( 105) = ( -0.1869652 0.4667038 0.5027608), wk = 0.0032362 k( 106) = ( -0.1800405 0.4494185 0.4841400), wk = 0.0032362 k( 107) = ( -0.1731159 0.4321331 0.4655192), wk = 0.0032362 k( 108) = ( -0.1661913 0.4148478 0.4468985), wk = 0.0032362 k( 109) = ( -0.1592666 0.3975625 0.4282777), wk = 0.0032362 k( 110) = ( -0.1523420 0.3802772 0.4096569), wk = 0.0032362 k( 111) = ( -0.1454174 0.3629919 0.3910362), wk = 0.0032362 k( 112) = ( -0.1384927 0.3457065 0.3724154), wk = 0.0032362 k( 113) = ( -0.1315681 0.3284212 0.3537946), wk = 0.0032362 k( 114) = ( -0.1246435 0.3111359 0.3351739), wk = 0.0032362 k( 115) = ( -0.1177188 0.2938505 0.3165531), wk = 0.0032362 k( 116) = ( -0.1107942 0.2765652 0.2979323), wk = 0.0032362 k( 117) = ( -0.1038696 0.2592799 0.2793116), wk = 0.0032362 k( 118) = ( -0.0969449 0.2419946 0.2606908), wk = 0.0032362 k( 119) = ( -0.0900203 0.2247092 0.2420700), wk = 0.0032362 k( 120) = ( -0.0830956 0.2074239 0.2234492), wk = 0.0032362 k( 121) = ( -0.0761710 0.1901386 0.2048285), wk = 0.0032362 k( 122) = ( -0.0692464 0.1728533 0.1862077), wk = 0.0032362 k( 123) = ( -0.0623217 0.1555679 0.1675869), wk = 0.0032362 k( 124) = ( -0.0553971 0.1382826 0.1489662), wk = 0.0032362 k( 125) = ( -0.0484725 0.1209973 0.1303454), wk = 0.0032362 k( 126) = ( -0.0415478 0.1037120 0.1117246), wk = 0.0032362 k( 127) = ( -0.0346232 0.0864266 0.0931038), wk = 0.0032362 k( 128) = ( -0.0276985 0.0691413 0.0744831), wk = 0.0032362 k( 129) = ( -0.0207739 0.0518560 0.0558623), wk = 0.0032362 k( 130) = ( -0.0138493 0.0345706 0.0372415), wk = 0.0032362 k( 131) = ( -0.0069246 0.0172853 0.0186208), wk = 0.0032362 k( 132) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032362 k( 133) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032362 k( 134) = ( 0.0238095 0.0095383 -0.0000000), wk = 0.0032362 k( 135) = ( 0.0476191 0.0190766 -0.0000000), wk = 0.0032362 k( 136) = ( 0.0714286 0.0286148 -0.0000000), wk = 0.0032362 k( 137) = ( 0.0952381 0.0381531 -0.0000000), wk = 0.0032362 k( 138) = ( 0.1190476 0.0476914 -0.0000000), wk = 0.0032362 k( 139) = ( 0.1428571 0.0572297 -0.0000000), wk = 0.0032362 k( 140) = ( 0.1666667 0.0667680 -0.0000000), wk = 0.0032362 k( 141) = ( 0.1904762 0.0763062 -0.0000000), wk = 0.0032362 k( 142) = ( 0.2142857 0.0858445 -0.0000000), wk = 0.0032362 k( 143) = ( 0.2380952 0.0953828 -0.0000000), wk = 0.0032362 k( 144) = ( 0.2619048 0.1049211 -0.0000000), wk = 0.0032362 k( 145) = ( 0.2857143 0.1144594 -0.0000000), wk = 0.0032362 k( 146) = ( 0.3095238 0.1239977 -0.0000000), wk = 0.0032362 k( 147) = ( 0.3333333 0.1335359 -0.0000000), wk = 0.0032362 k( 148) = ( 0.3571429 0.1430742 -0.0000000), wk = 0.0032362 k( 149) = ( 0.3809524 0.1526125 -0.0000000), wk = 0.0032362 k( 150) = ( 0.4047619 0.1621508 -0.0000000), wk = 0.0032362 k( 151) = ( 0.4285714 0.1716891 -0.0000000), wk = 0.0032362 k( 152) = ( 0.4523810 0.1812273 -0.0000000), wk = 0.0032362 k( 153) = ( 0.4761905 0.1907656 -0.0000000), wk = 0.0032362 k( 154) = ( 0.5000000 0.2003039 -0.0000000), wk = 0.0032362 k( 155) = ( 0.5000000 0.2003039 -0.0000000), wk = 0.0032362 k( 156) = ( 0.4930322 0.2176971 0.0187370), wk = 0.0032362 k( 157) = ( 0.4860643 0.2350903 0.0374740), wk = 0.0032362 k( 158) = ( 0.4790964 0.2524835 0.0562109), wk = 0.0032362 k( 159) = ( 0.4721286 0.2698767 0.0749479), wk = 0.0032362 k( 160) = ( 0.4651607 0.2872699 0.0936849), wk = 0.0032362 k( 161) = ( 0.4581929 0.3046631 0.1124219), wk = 0.0032362 k( 162) = ( 0.4512250 0.3220563 0.1311589), wk = 0.0032362 k( 163) = ( 0.4442572 0.3394495 0.1498959), wk = 0.0032362 k( 164) = ( 0.4372893 0.3568427 0.1686328), wk = 0.0032362 k( 165) = ( 0.4303215 0.3742360 0.1873698), wk = 0.0032362 k( 166) = ( 0.4233536 0.3916292 0.2061068), wk = 0.0032362 k( 167) = ( 0.4163858 0.4090224 0.2248438), wk = 0.0032362 k( 168) = ( 0.4094179 0.4264156 0.2435808), wk = 0.0032362 k( 169) = ( 0.4024501 0.4438088 0.2623178), wk = 0.0032362 k( 170) = ( 0.3954822 0.4612020 0.2810548), wk = 0.0032362 k( 171) = ( 0.3885143 0.4785952 0.2997917), wk = 0.0032362 k( 172) = ( 0.3815465 0.4959884 0.3185287), wk = 0.0032362 k( 173) = ( 0.3745786 0.5133816 0.3372657), wk = 0.0032362 k( 174) = ( 0.3676108 0.5307748 0.3560027), wk = 0.0032362 k( 175) = ( 0.3606429 0.5481680 0.3747397), wk = 0.0032362 k( 176) = ( 0.3536751 0.5655612 0.3934767), wk = 0.0032362 k( 177) = ( 0.3467072 0.5829544 0.4122136), wk = 0.0032362 k( 178) = ( 0.3397394 0.6003476 0.4309506), wk = 0.0032362 k( 179) = ( 0.3327715 0.6177408 0.4496876), wk = 0.0032362 k( 180) = ( 0.3258037 0.6351340 0.4684246), wk = 0.0032362 k( 181) = ( 0.3188358 0.6525272 0.4871616), wk = 0.0032362 k( 182) = ( 0.3118680 0.6699204 0.5058986), wk = 0.0032362 k( 183) = ( 0.3049001 0.6873136 0.5246355), wk = 0.0032362 k( 184) = ( 0.2979322 0.7047069 0.5433725), wk = 0.0032362 k( 185) = ( 0.2909644 0.7221000 0.5621095), wk = 0.0032362 k( 186) = ( 0.2839965 0.7394933 0.5808465), wk = 0.0032362 k( 187) = ( 0.2770287 0.7568865 0.5995835), wk = 0.0032362 k( 188) = ( 0.2700608 0.7742797 0.6183205), wk = 0.0032362 k( 189) = ( 0.2700608 0.7742797 0.6183205), wk = 0.0032362 k( 190) = ( 0.2455098 0.7697273 0.6232245), wk = 0.0032362 k( 191) = ( 0.2209589 0.7651749 0.6281286), wk = 0.0032362 k( 192) = ( 0.1964079 0.7606226 0.6330327), wk = 0.0032362 k( 193) = ( 0.1718569 0.7560702 0.6379368), wk = 0.0032362 k( 194) = ( 0.1473059 0.7515179 0.6428408), wk = 0.0032362 k( 195) = ( 0.1227549 0.7469655 0.6477449), wk = 0.0032362 k( 196) = ( 0.0982039 0.7424131 0.6526490), wk = 0.0032362 k( 197) = ( 0.0736529 0.7378608 0.6575530), wk = 0.0032362 k( 198) = ( 0.0491020 0.7333084 0.6624571), wk = 0.0032362 k( 199) = ( 0.0245510 0.7287561 0.6673612), wk = 0.0032362 k( 200) = ( 0.0000000 0.7242037 0.6722653), wk = 0.0032362 k( 201) = ( 0.0000000 0.7242037 0.6722653), wk = 0.0032362 k( 202) = ( 0.0069444 0.7068689 0.6909393), wk = 0.0032362 k( 203) = ( 0.0138889 0.6895341 0.7096133), wk = 0.0032362 k( 204) = ( 0.0208333 0.6721994 0.7282874), wk = 0.0032362 k( 205) = ( 0.0277778 0.6548646 0.7469614), wk = 0.0032362 k( 206) = ( 0.0347222 0.6375298 0.7656354), wk = 0.0032362 k( 207) = ( 0.0416667 0.6201951 0.7843095), wk = 0.0032362 k( 208) = ( 0.0486111 0.6028603 0.8029835), wk = 0.0032362 k( 209) = ( 0.0555556 0.5855255 0.8216575), wk = 0.0032362 k( 210) = ( 0.0625000 0.5681908 0.8403316), wk = 0.0032362 k( 211) = ( 0.0694444 0.5508560 0.8590056), wk = 0.0032362 k( 212) = ( 0.0763889 0.5335212 0.8776796), wk = 0.0032362 k( 213) = ( 0.0833333 0.5161865 0.8963537), wk = 0.0032362 k( 214) = ( 0.0902778 0.4988517 0.9150277), wk = 0.0032362 k( 215) = ( 0.0972222 0.4815169 0.9337017), wk = 0.0032362 k( 216) = ( 0.1041667 0.4641821 0.9523758), wk = 0.0032362 k( 217) = ( 0.1111111 0.4468474 0.9710498), wk = 0.0032362 k( 218) = ( 0.1180556 0.4295126 0.9897239), wk = 0.0032362 k( 219) = ( 0.1250000 0.4121778 1.0083979), wk = 0.0032362 k( 220) = ( 0.1319444 0.3948431 1.0270719), wk = 0.0032362 k( 221) = ( 0.1388889 0.3775083 1.0457460), wk = 0.0032362 k( 222) = ( 0.1458333 0.3601735 1.0644200), wk = 0.0032362 k( 223) = ( 0.1527778 0.3428387 1.0830940), wk = 0.0032362 k( 224) = ( 0.1597222 0.3255040 1.1017681), wk = 0.0032362 k( 225) = ( 0.1666667 0.3081692 1.1204421), wk = 0.0032362 k( 226) = ( 0.1736111 0.2908344 1.1391161), wk = 0.0032362 k( 227) = ( 0.1805556 0.2734996 1.1577902), wk = 0.0032362 k( 228) = ( 0.1875000 0.2561649 1.1764642), wk = 0.0032362 k( 229) = ( 0.1944444 0.2388301 1.1951382), wk = 0.0032362 k( 230) = ( 0.2013889 0.2214953 1.2138123), wk = 0.0032362 k( 231) = ( 0.2083333 0.2041606 1.2324863), wk = 0.0032362 k( 232) = ( 0.2152778 0.1868258 1.2511603), wk = 0.0032362 k( 233) = ( 0.2222222 0.1694910 1.2698344), wk = 0.0032362 k( 234) = ( 0.2291667 0.1521563 1.2885084), wk = 0.0032362 k( 235) = ( 0.2361111 0.1348215 1.3071824), wk = 0.0032362 k( 236) = ( 0.2430556 0.1174867 1.3258565), wk = 0.0032362 k( 237) = ( 0.2500000 0.1001520 1.3445305), wk = 0.0032362 k( 238) = ( 0.2500000 0.1001520 1.3445305), wk = 0.0032362 k( 239) = ( 0.2727273 0.1092567 1.3347223), wk = 0.0032362 k( 240) = ( 0.2954545 0.1183614 1.3249142), wk = 0.0032362 k( 241) = ( 0.3181818 0.1274661 1.3151061), wk = 0.0032362 k( 242) = ( 0.3409091 0.1365708 1.3052979), wk = 0.0032362 k( 243) = ( 0.3636364 0.1456756 1.2954898), wk = 0.0032362 k( 244) = ( 0.3863636 0.1547803 1.2856817), wk = 0.0032362 k( 245) = ( 0.4090909 0.1638850 1.2758735), wk = 0.0032362 k( 246) = ( 0.4318182 0.1729897 1.2660654), wk = 0.0032362 k( 247) = ( 0.4545455 0.1820945 1.2562572), wk = 0.0032362 k( 248) = ( 0.4772727 0.1911992 1.2464491), wk = 0.0032362 k( 249) = ( 0.5000000 0.2003039 1.2366409), wk = 0.0032362 k( 250) = ( 0.5000000 0.2003039 1.2366409), wk = 0.0032362 k( 251) = ( 0.5000000 0.2003039 1.2103294), wk = 0.0032362 k( 252) = ( 0.5000000 0.2003039 1.1840179), wk = 0.0032362 k( 253) = ( 0.5000000 0.2003039 1.1577064), wk = 0.0032362 k( 254) = ( 0.5000000 0.2003039 1.1313949), wk = 0.0032362 k( 255) = ( 0.5000000 0.2003039 1.1050834), wk = 0.0032362 k( 256) = ( 0.5000000 0.2003039 1.0787719), wk = 0.0032362 k( 257) = ( 0.5000000 0.2003039 1.0524604), wk = 0.0032362 k( 258) = ( 0.5000000 0.2003039 1.0261489), wk = 0.0032362 k( 259) = ( 0.5000000 0.2003039 0.9998374), wk = 0.0032362 k( 260) = ( 0.5000000 0.2003039 0.9735258), wk = 0.0032362 k( 261) = ( 0.5000000 0.2003039 0.9472143), wk = 0.0032362 k( 262) = ( 0.5000000 0.2003039 0.9209028), wk = 0.0032362 k( 263) = ( 0.5000000 0.2003039 0.8945913), wk = 0.0032362 k( 264) = ( 0.5000000 0.2003039 0.8682798), wk = 0.0032362 k( 265) = ( 0.5000000 0.2003039 0.8419683), wk = 0.0032362 k( 266) = ( 0.5000000 0.2003039 0.8156568), wk = 0.0032362 k( 267) = ( 0.5000000 0.2003039 0.7893453), wk = 0.0032362 k( 268) = ( 0.5000000 0.2003039 0.7630338), wk = 0.0032362 k( 269) = ( 0.5000000 0.2003039 0.7367223), wk = 0.0032362 k( 270) = ( 0.5000000 0.2003039 0.7104107), wk = 0.0032362 k( 271) = ( 0.5000000 0.2003039 0.6840992), wk = 0.0032362 k( 272) = ( 0.5000000 0.2003039 0.6577877), wk = 0.0032362 k( 273) = ( 0.5000000 0.2003039 0.6314762), wk = 0.0032362 k( 274) = ( 0.5000000 0.2003039 0.6051647), wk = 0.0032362 k( 275) = ( 0.5000000 0.2003039 0.5788532), wk = 0.0032362 k( 276) = ( 0.5000000 0.2003039 0.5525417), wk = 0.0032362 k( 277) = ( 0.5000000 0.2003039 0.5262302), wk = 0.0032362 k( 278) = ( 0.5000000 0.2003039 0.4999187), wk = 0.0032362 k( 279) = ( 0.5000000 0.2003039 0.4736072), wk = 0.0032362 k( 280) = ( 0.5000000 0.2003039 0.4472957), wk = 0.0032362 k( 281) = ( 0.5000000 0.2003039 0.4209841), wk = 0.0032362 k( 282) = ( 0.5000000 0.2003039 0.3946726), wk = 0.0032362 k( 283) = ( 0.5000000 0.2003039 0.3683611), wk = 0.0032362 k( 284) = ( 0.5000000 0.2003039 0.3420496), wk = 0.0032362 k( 285) = ( 0.5000000 0.2003039 0.3157381), wk = 0.0032362 k( 286) = ( 0.5000000 0.2003039 0.2894266), wk = 0.0032362 k( 287) = ( 0.5000000 0.2003039 0.2631151), wk = 0.0032362 k( 288) = ( 0.5000000 0.2003039 0.2368036), wk = 0.0032362 k( 289) = ( 0.5000000 0.2003039 0.2104921), wk = 0.0032362 k( 290) = ( 0.5000000 0.2003039 0.1841806), wk = 0.0032362 k( 291) = ( 0.5000000 0.2003039 0.1578690), wk = 0.0032362 k( 292) = ( 0.5000000 0.2003039 0.1315576), wk = 0.0032362 k( 293) = ( 0.5000000 0.2003039 0.1052460), wk = 0.0032362 k( 294) = ( 0.5000000 0.2003039 0.0789345), wk = 0.0032362 k( 295) = ( 0.5000000 0.2003039 0.0526230), wk = 0.0032362 k( 296) = ( 0.5000000 0.2003039 0.0263115), wk = 0.0032362 k( 297) = ( 0.5000000 0.2003039 -0.0000000), wk = 0.0032362 k( 298) = ( 0.0000000 0.0000000 1.3445305), wk = 0.0032362 k( 299) = ( 0.0227273 0.0091047 1.3445305), wk = 0.0032362 k( 300) = ( 0.0454546 0.0182094 1.3445305), wk = 0.0032362 k( 301) = ( 0.0681818 0.0273142 1.3445305), wk = 0.0032362 k( 302) = ( 0.0909091 0.0364189 1.3445305), wk = 0.0032362 k( 303) = ( 0.1136364 0.0455236 1.3445305), wk = 0.0032362 k( 304) = ( 0.1363636 0.0546283 1.3445305), wk = 0.0032362 k( 305) = ( 0.1590909 0.0637331 1.3445305), wk = 0.0032362 k( 306) = ( 0.1818182 0.0728378 1.3445305), wk = 0.0032362 k( 307) = ( 0.2045454 0.0819425 1.3445305), wk = 0.0032362 k( 308) = ( 0.2272727 0.0910472 1.3445305), wk = 0.0032362 k( 309) = ( 0.2500000 0.1001520 1.3445305), wk = 0.0032362 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032362 k( 2) = ( 0.0000000 0.0000000 0.0098039), wk = 0.0032362 k( 3) = ( 0.0000000 0.0000000 0.0196078), wk = 0.0032362 k( 4) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0032362 k( 5) = ( 0.0000000 0.0000000 0.0392157), wk = 0.0032362 k( 6) = ( 0.0000000 0.0000000 0.0490196), wk = 0.0032362 k( 7) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0032362 k( 8) = ( 0.0000000 0.0000000 0.0686275), wk = 0.0032362 k( 9) = ( 0.0000000 0.0000000 0.0784314), wk = 0.0032362 k( 10) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0032362 k( 11) = ( 0.0000000 0.0000000 0.0980392), wk = 0.0032362 k( 12) = ( 0.0000000 0.0000000 0.1078431), wk = 0.0032362 k( 13) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0032362 k( 14) = ( 0.0000000 0.0000000 0.1274510), wk = 0.0032362 k( 15) = ( 0.0000000 0.0000000 0.1372549), wk = 0.0032362 k( 16) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0032362 k( 17) = ( 0.0000000 0.0000000 0.1568627), wk = 0.0032362 k( 18) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0032362 k( 19) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0032362 k( 20) = ( 0.0000000 0.0000000 0.1862745), wk = 0.0032362 k( 21) = ( 0.0000000 0.0000000 0.1960784), wk = 0.0032362 k( 22) = ( 0.0000000 0.0000000 0.2058824), wk = 0.0032362 k( 23) = ( 0.0000000 0.0000000 0.2156863), wk = 0.0032362 k( 24) = ( 0.0000000 0.0000000 0.2254902), wk = 0.0032362 k( 25) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0032362 k( 26) = ( 0.0000000 0.0000000 0.2450980), wk = 0.0032362 k( 27) = ( 0.0000000 0.0000000 0.2549020), wk = 0.0032362 k( 28) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0032362 k( 29) = ( 0.0000000 0.0000000 0.2745098), wk = 0.0032362 k( 30) = ( 0.0000000 0.0000000 0.2843137), wk = 0.0032362 k( 31) = ( 0.0000000 0.0000000 0.2941177), wk = 0.0032362 k( 32) = ( 0.0000000 0.0000000 0.3039216), wk = 0.0032362 k( 33) = ( 0.0000000 0.0000000 0.3137255), wk = 0.0032362 k( 34) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0032362 k( 35) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0032362 k( 36) = ( 0.0000000 0.0000000 0.3431373), wk = 0.0032362 k( 37) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0032362 k( 38) = ( 0.0000000 0.0000000 0.3627451), wk = 0.0032362 k( 39) = ( 0.0000000 0.0000000 0.3725490), wk = 0.0032362 k( 40) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0032362 k( 41) = ( 0.0000000 0.0000000 0.3921569), wk = 0.0032362 k( 42) = ( 0.0000000 0.0000000 0.4019608), wk = 0.0032362 k( 43) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0032362 k( 44) = ( 0.0000000 0.0000000 0.4215686), wk = 0.0032362 k( 45) = ( 0.0000000 0.0000000 0.4313726), wk = 0.0032362 k( 46) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0032362 k( 47) = ( 0.0000000 0.0000000 0.4509804), wk = 0.0032362 k( 48) = ( 0.0000000 0.0000000 0.4607843), wk = 0.0032362 k( 49) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0032362 k( 50) = ( 0.0000000 0.0000000 0.4803922), wk = 0.0032362 k( 51) = ( 0.0000000 0.0000000 0.4901961), wk = 0.0032362 k( 52) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032362 k( 53) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032362 k( 54) = ( -0.0080243 0.0080243 0.5000000), wk = 0.0032362 k( 55) = ( -0.0160487 0.0160487 0.5000000), wk = 0.0032362 k( 56) = ( -0.0240730 0.0240730 0.5000000), wk = 0.0032362 k( 57) = ( -0.0320973 0.0320973 0.5000000), wk = 0.0032362 k( 58) = ( -0.0401217 0.0401217 0.5000000), wk = 0.0032362 k( 59) = ( -0.0401217 0.0401217 0.5000000), wk = 0.0032362 k( 60) = ( -0.0470895 0.0470895 0.4930322), wk = 0.0032362 k( 61) = ( -0.0540574 0.0540574 0.4860643), wk = 0.0032362 k( 62) = ( -0.0610252 0.0610252 0.4790964), wk = 0.0032362 k( 63) = ( -0.0679931 0.0679931 0.4721286), wk = 0.0032362 k( 64) = ( -0.0749609 0.0749609 0.4651607), wk = 0.0032362 k( 65) = ( -0.0819288 0.0819288 0.4581929), wk = 0.0032362 k( 66) = ( -0.0888966 0.0888966 0.4512250), wk = 0.0032362 k( 67) = ( -0.0958645 0.0958645 0.4442572), wk = 0.0032362 k( 68) = ( -0.1028323 0.1028323 0.4372893), wk = 0.0032362 k( 69) = ( -0.1098002 0.1098002 0.4303215), wk = 0.0032362 k( 70) = ( -0.1167680 0.1167680 0.4233536), wk = 0.0032362 k( 71) = ( -0.1237359 0.1237359 0.4163858), wk = 0.0032362 k( 72) = ( -0.1307038 0.1307038 0.4094179), wk = 0.0032362 k( 73) = ( -0.1376716 0.1376716 0.4024501), wk = 0.0032362 k( 74) = ( -0.1446395 0.1446395 0.3954822), wk = 0.0032362 k( 75) = ( -0.1516073 0.1516073 0.3885143), wk = 0.0032362 k( 76) = ( -0.1585752 0.1585752 0.3815465), wk = 0.0032362 k( 77) = ( -0.1655430 0.1655430 0.3745786), wk = 0.0032362 k( 78) = ( -0.1725109 0.1725109 0.3676108), wk = 0.0032362 k( 79) = ( -0.1794787 0.1794787 0.3606429), wk = 0.0032362 k( 80) = ( -0.1864466 0.1864466 0.3536751), wk = 0.0032362 k( 81) = ( -0.1934144 0.1934144 0.3467072), wk = 0.0032362 k( 82) = ( -0.2003823 0.2003823 0.3397394), wk = 0.0032362 k( 83) = ( -0.2073501 0.2073501 0.3327715), wk = 0.0032362 k( 84) = ( -0.2143180 0.2143180 0.3258037), wk = 0.0032362 k( 85) = ( -0.2212859 0.2212858 0.3188358), wk = 0.0032362 k( 86) = ( -0.2282537 0.2282537 0.3118680), wk = 0.0032362 k( 87) = ( -0.2352216 0.2352216 0.3049001), wk = 0.0032362 k( 88) = ( -0.2421894 0.2421894 0.2979322), wk = 0.0032362 k( 89) = ( -0.2491573 0.2491573 0.2909644), wk = 0.0032362 k( 90) = ( -0.2561251 0.2561251 0.2839965), wk = 0.0032362 k( 91) = ( -0.2630930 0.2630930 0.2770287), wk = 0.0032362 k( 92) = ( -0.2700608 0.2700608 0.2700608), wk = 0.0032362 k( 93) = ( -0.2700608 0.2700608 0.2700608), wk = 0.0032362 k( 94) = ( -0.2631362 0.2631362 0.2631362), wk = 0.0032362 k( 95) = ( -0.2562116 0.2562116 0.2562116), wk = 0.0032362 k( 96) = ( -0.2492869 0.2492869 0.2492869), wk = 0.0032362 k( 97) = ( -0.2423623 0.2423623 0.2423623), wk = 0.0032362 k( 98) = ( -0.2354376 0.2354376 0.2354376), wk = 0.0032362 k( 99) = ( -0.2285130 0.2285130 0.2285130), wk = 0.0032362 k( 100) = ( -0.2215884 0.2215884 0.2215884), wk = 0.0032362 k( 101) = ( -0.2146637 0.2146637 0.2146637), wk = 0.0032362 k( 102) = ( -0.2077391 0.2077391 0.2077391), wk = 0.0032362 k( 103) = ( -0.2008145 0.2008145 0.2008145), wk = 0.0032362 k( 104) = ( -0.1938898 0.1938898 0.1938898), wk = 0.0032362 k( 105) = ( -0.1869652 0.1869652 0.1869652), wk = 0.0032362 k( 106) = ( -0.1800405 0.1800405 0.1800406), wk = 0.0032362 k( 107) = ( -0.1731159 0.1731159 0.1731159), wk = 0.0032362 k( 108) = ( -0.1661913 0.1661913 0.1661913), wk = 0.0032362 k( 109) = ( -0.1592666 0.1592666 0.1592666), wk = 0.0032362 k( 110) = ( -0.1523420 0.1523420 0.1523420), wk = 0.0032362 k( 111) = ( -0.1454174 0.1454174 0.1454174), wk = 0.0032362 k( 112) = ( -0.1384927 0.1384927 0.1384927), wk = 0.0032362 k( 113) = ( -0.1315681 0.1315681 0.1315681), wk = 0.0032362 k( 114) = ( -0.1246435 0.1246435 0.1246435), wk = 0.0032362 k( 115) = ( -0.1177188 0.1177188 0.1177188), wk = 0.0032362 k( 116) = ( -0.1107942 0.1107942 0.1107942), wk = 0.0032362 k( 117) = ( -0.1038696 0.1038695 0.1038696), wk = 0.0032362 k( 118) = ( -0.0969449 0.0969449 0.0969449), wk = 0.0032362 k( 119) = ( -0.0900203 0.0900203 0.0900203), wk = 0.0032362 k( 120) = ( -0.0830956 0.0830956 0.0830956), wk = 0.0032362 k( 121) = ( -0.0761710 0.0761710 0.0761710), wk = 0.0032362 k( 122) = ( -0.0692464 0.0692464 0.0692464), wk = 0.0032362 k( 123) = ( -0.0623217 0.0623217 0.0623217), wk = 0.0032362 k( 124) = ( -0.0553971 0.0553971 0.0553971), wk = 0.0032362 k( 125) = ( -0.0484725 0.0484725 0.0484725), wk = 0.0032362 k( 126) = ( -0.0415478 0.0415478 0.0415478), wk = 0.0032362 k( 127) = ( -0.0346232 0.0346232 0.0346232), wk = 0.0032362 k( 128) = ( -0.0276985 0.0276985 0.0276986), wk = 0.0032362 k( 129) = ( -0.0207739 0.0207739 0.0207739), wk = 0.0032362 k( 130) = ( -0.0138493 0.0138493 0.0138493), wk = 0.0032362 k( 131) = ( -0.0069246 0.0069246 0.0069246), wk = 0.0032362 k( 132) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032362 k( 133) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032362 k( 134) = ( 0.0238095 0.0238095 -0.0238095), wk = 0.0032362 k( 135) = ( 0.0476191 0.0476191 -0.0476191), wk = 0.0032362 k( 136) = ( 0.0714286 0.0714286 -0.0714286), wk = 0.0032362 k( 137) = ( 0.0952381 0.0952381 -0.0952381), wk = 0.0032362 k( 138) = ( 0.1190476 0.1190476 -0.1190476), wk = 0.0032362 k( 139) = ( 0.1428571 0.1428571 -0.1428571), wk = 0.0032362 k( 140) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0032362 k( 141) = ( 0.1904762 0.1904762 -0.1904762), wk = 0.0032362 k( 142) = ( 0.2142857 0.2142857 -0.2142857), wk = 0.0032362 k( 143) = ( 0.2380952 0.2380952 -0.2380952), wk = 0.0032362 k( 144) = ( 0.2619048 0.2619048 -0.2619048), wk = 0.0032362 k( 145) = ( 0.2857143 0.2857143 -0.2857143), wk = 0.0032362 k( 146) = ( 0.3095238 0.3095238 -0.3095238), wk = 0.0032362 k( 147) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0032362 k( 148) = ( 0.3571429 0.3571429 -0.3571429), wk = 0.0032362 k( 149) = ( 0.3809524 0.3809524 -0.3809524), wk = 0.0032362 k( 150) = ( 0.4047619 0.4047619 -0.4047619), wk = 0.0032362 k( 151) = ( 0.4285714 0.4285714 -0.4285714), wk = 0.0032362 k( 152) = ( 0.4523810 0.4523810 -0.4523810), wk = 0.0032362 k( 153) = ( 0.4761905 0.4761905 -0.4761905), wk = 0.0032362 k( 154) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0032362 k( 155) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0032362 k( 156) = ( 0.4930322 0.5069678 -0.4930322), wk = 0.0032362 k( 157) = ( 0.4860643 0.5139357 -0.4860643), wk = 0.0032362 k( 158) = ( 0.4790964 0.5209036 -0.4790964), wk = 0.0032362 k( 159) = ( 0.4721286 0.5278714 -0.4721286), wk = 0.0032362 k( 160) = ( 0.4651607 0.5348393 -0.4651607), wk = 0.0032362 k( 161) = ( 0.4581929 0.5418071 -0.4581929), wk = 0.0032362 k( 162) = ( 0.4512250 0.5487750 -0.4512250), wk = 0.0032362 k( 163) = ( 0.4442572 0.5557428 -0.4442572), wk = 0.0032362 k( 164) = ( 0.4372893 0.5627107 -0.4372893), wk = 0.0032362 k( 165) = ( 0.4303215 0.5696785 -0.4303215), wk = 0.0032362 k( 166) = ( 0.4233536 0.5766464 -0.4233536), wk = 0.0032362 k( 167) = ( 0.4163858 0.5836142 -0.4163858), wk = 0.0032362 k( 168) = ( 0.4094179 0.5905821 -0.4094179), wk = 0.0032362 k( 169) = ( 0.4024501 0.5975499 -0.4024501), wk = 0.0032362 k( 170) = ( 0.3954822 0.6045178 -0.3954822), wk = 0.0032362 k( 171) = ( 0.3885143 0.6114857 -0.3885143), wk = 0.0032362 k( 172) = ( 0.3815465 0.6184535 -0.3815465), wk = 0.0032362 k( 173) = ( 0.3745786 0.6254214 -0.3745786), wk = 0.0032362 k( 174) = ( 0.3676108 0.6323892 -0.3676108), wk = 0.0032362 k( 175) = ( 0.3606429 0.6393571 -0.3606429), wk = 0.0032362 k( 176) = ( 0.3536751 0.6463249 -0.3536751), wk = 0.0032362 k( 177) = ( 0.3467072 0.6532928 -0.3467072), wk = 0.0032362 k( 178) = ( 0.3397394 0.6602606 -0.3397394), wk = 0.0032362 k( 179) = ( 0.3327715 0.6672285 -0.3327715), wk = 0.0032362 k( 180) = ( 0.3258037 0.6741963 -0.3258037), wk = 0.0032362 k( 181) = ( 0.3188358 0.6811642 -0.3188358), wk = 0.0032362 k( 182) = ( 0.3118680 0.6881320 -0.3118679), wk = 0.0032362 k( 183) = ( 0.3049001 0.6950999 -0.3049001), wk = 0.0032362 k( 184) = ( 0.2979322 0.7020678 -0.2979322), wk = 0.0032362 k( 185) = ( 0.2909644 0.7090356 -0.2909644), wk = 0.0032362 k( 186) = ( 0.2839965 0.7160035 -0.2839965), wk = 0.0032362 k( 187) = ( 0.2770287 0.7229713 -0.2770287), wk = 0.0032362 k( 188) = ( 0.2700608 0.7299392 -0.2700608), wk = 0.0032362 k( 189) = ( 0.2700608 0.7299392 -0.2700608), wk = 0.0032362 k( 190) = ( 0.2455098 0.7090356 -0.2455098), wk = 0.0032362 k( 191) = ( 0.2209589 0.6881320 -0.2209589), wk = 0.0032362 k( 192) = ( 0.1964079 0.6672285 -0.1964079), wk = 0.0032362 k( 193) = ( 0.1718569 0.6463249 -0.1718569), wk = 0.0032362 k( 194) = ( 0.1473059 0.6254214 -0.1473059), wk = 0.0032362 k( 195) = ( 0.1227549 0.6045178 -0.1227549), wk = 0.0032362 k( 196) = ( 0.0982039 0.5836142 -0.0982039), wk = 0.0032362 k( 197) = ( 0.0736529 0.5627107 -0.0736529), wk = 0.0032362 k( 198) = ( 0.0491020 0.5418071 -0.0491020), wk = 0.0032362 k( 199) = ( 0.0245510 0.5209036 -0.0245510), wk = 0.0032362 k( 200) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032362 k( 201) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032362 k( 202) = ( 0.0069444 0.4930556 0.0069444), wk = 0.0032362 k( 203) = ( 0.0138889 0.4861111 0.0138889), wk = 0.0032362 k( 204) = ( 0.0208333 0.4791667 0.0208333), wk = 0.0032362 k( 205) = ( 0.0277778 0.4722222 0.0277778), wk = 0.0032362 k( 206) = ( 0.0347222 0.4652778 0.0347222), wk = 0.0032362 k( 207) = ( 0.0416667 0.4583333 0.0416667), wk = 0.0032362 k( 208) = ( 0.0486111 0.4513889 0.0486111), wk = 0.0032362 k( 209) = ( 0.0555556 0.4444444 0.0555556), wk = 0.0032362 k( 210) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0032362 k( 211) = ( 0.0694444 0.4305556 0.0694444), wk = 0.0032362 k( 212) = ( 0.0763889 0.4236111 0.0763889), wk = 0.0032362 k( 213) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0032362 k( 214) = ( 0.0902778 0.4097222 0.0902778), wk = 0.0032362 k( 215) = ( 0.0972222 0.4027778 0.0972222), wk = 0.0032362 k( 216) = ( 0.1041667 0.3958333 0.1041667), wk = 0.0032362 k( 217) = ( 0.1111111 0.3888889 0.1111111), wk = 0.0032362 k( 218) = ( 0.1180556 0.3819444 0.1180556), wk = 0.0032362 k( 219) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0032362 k( 220) = ( 0.1319444 0.3680556 0.1319444), wk = 0.0032362 k( 221) = ( 0.1388889 0.3611111 0.1388889), wk = 0.0032362 k( 222) = ( 0.1458333 0.3541667 0.1458333), wk = 0.0032362 k( 223) = ( 0.1527778 0.3472222 0.1527778), wk = 0.0032362 k( 224) = ( 0.1597222 0.3402778 0.1597222), wk = 0.0032362 k( 225) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0032362 k( 226) = ( 0.1736111 0.3263889 0.1736111), wk = 0.0032362 k( 227) = ( 0.1805556 0.3194444 0.1805556), wk = 0.0032362 k( 228) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0032362 k( 229) = ( 0.1944444 0.3055556 0.1944444), wk = 0.0032362 k( 230) = ( 0.2013889 0.2986111 0.2013889), wk = 0.0032362 k( 231) = ( 0.2083333 0.2916667 0.2083333), wk = 0.0032362 k( 232) = ( 0.2152778 0.2847222 0.2152778), wk = 0.0032362 k( 233) = ( 0.2222222 0.2777778 0.2222222), wk = 0.0032362 k( 234) = ( 0.2291667 0.2708333 0.2291667), wk = 0.0032362 k( 235) = ( 0.2361111 0.2638889 0.2361111), wk = 0.0032362 k( 236) = ( 0.2430556 0.2569444 0.2430556), wk = 0.0032362 k( 237) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0032362 k( 238) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0032362 k( 239) = ( 0.2727273 0.2727273 0.2236253), wk = 0.0032362 k( 240) = ( 0.2954545 0.2954545 0.1972506), wk = 0.0032362 k( 241) = ( 0.3181818 0.3181818 0.1708759), wk = 0.0032362 k( 242) = ( 0.3409091 0.3409091 0.1445012), wk = 0.0032362 k( 243) = ( 0.3636364 0.3636364 0.1181265), wk = 0.0032362 k( 244) = ( 0.3863636 0.3863636 0.0917518), wk = 0.0032362 k( 245) = ( 0.4090909 0.4090909 0.0653771), wk = 0.0032362 k( 246) = ( 0.4318182 0.4318182 0.0390024), wk = 0.0032362 k( 247) = ( 0.4545455 0.4545455 0.0126277), wk = 0.0032362 k( 248) = ( 0.4772727 0.4772727 -0.0137470), wk = 0.0032362 k( 249) = ( 0.5000000 0.5000000 -0.0401217), wk = 0.0032362 k( 250) = ( 0.5000000 0.5000000 -0.0401217), wk = 0.0032362 k( 251) = ( 0.5000000 0.5000000 -0.0499063), wk = 0.0032362 k( 252) = ( 0.5000000 0.5000000 -0.0596910), wk = 0.0032362 k( 253) = ( 0.5000000 0.5000000 -0.0694756), wk = 0.0032362 k( 254) = ( 0.5000000 0.5000000 -0.0792602), wk = 0.0032362 k( 255) = ( 0.5000000 0.5000000 -0.0890449), wk = 0.0032362 k( 256) = ( 0.5000000 0.5000000 -0.0988295), wk = 0.0032362 k( 257) = ( 0.5000000 0.5000000 -0.1086142), wk = 0.0032362 k( 258) = ( 0.5000000 0.5000000 -0.1183988), wk = 0.0032362 k( 259) = ( 0.5000000 0.5000000 -0.1281835), wk = 0.0032362 k( 260) = ( 0.5000000 0.5000000 -0.1379681), wk = 0.0032362 k( 261) = ( 0.5000000 0.5000000 -0.1477528), wk = 0.0032362 k( 262) = ( 0.5000000 0.5000000 -0.1575374), wk = 0.0032362 k( 263) = ( 0.5000000 0.5000000 -0.1673221), wk = 0.0032362 k( 264) = ( 0.5000000 0.5000000 -0.1771067), wk = 0.0032362 k( 265) = ( 0.5000000 0.5000000 -0.1868913), wk = 0.0032362 k( 266) = ( 0.5000000 0.5000000 -0.1966760), wk = 0.0032362 k( 267) = ( 0.5000000 0.5000000 -0.2064606), wk = 0.0032362 k( 268) = ( 0.5000000 0.5000000 -0.2162453), wk = 0.0032362 k( 269) = ( 0.5000000 0.5000000 -0.2260299), wk = 0.0032362 k( 270) = ( 0.5000000 0.5000000 -0.2358146), wk = 0.0032362 k( 271) = ( 0.5000000 0.5000000 -0.2455992), wk = 0.0032362 k( 272) = ( 0.5000000 0.5000000 -0.2553839), wk = 0.0032362 k( 273) = ( 0.5000000 0.5000000 -0.2651685), wk = 0.0032362 k( 274) = ( 0.5000000 0.5000000 -0.2749532), wk = 0.0032362 k( 275) = ( 0.5000000 0.5000000 -0.2847378), wk = 0.0032362 k( 276) = ( 0.5000000 0.5000000 -0.2945224), wk = 0.0032362 k( 277) = ( 0.5000000 0.5000000 -0.3043071), wk = 0.0032362 k( 278) = ( 0.5000000 0.5000000 -0.3140917), wk = 0.0032362 k( 279) = ( 0.5000000 0.5000000 -0.3238764), wk = 0.0032362 k( 280) = ( 0.5000000 0.5000000 -0.3336610), wk = 0.0032362 k( 281) = ( 0.5000000 0.5000000 -0.3434457), wk = 0.0032362 k( 282) = ( 0.5000000 0.5000000 -0.3532303), wk = 0.0032362 k( 283) = ( 0.5000000 0.5000000 -0.3630150), wk = 0.0032362 k( 284) = ( 0.5000000 0.5000000 -0.3727996), wk = 0.0032362 k( 285) = ( 0.5000000 0.5000000 -0.3825843), wk = 0.0032362 k( 286) = ( 0.5000000 0.5000000 -0.3923689), wk = 0.0032362 k( 287) = ( 0.5000000 0.5000000 -0.4021535), wk = 0.0032362 k( 288) = ( 0.5000000 0.5000000 -0.4119382), wk = 0.0032362 k( 289) = ( 0.5000000 0.5000000 -0.4217228), wk = 0.0032362 k( 290) = ( 0.5000000 0.5000000 -0.4315075), wk = 0.0032362 k( 291) = ( 0.5000000 0.5000000 -0.4412921), wk = 0.0032362 k( 292) = ( 0.5000000 0.5000000 -0.4510768), wk = 0.0032362 k( 293) = ( 0.5000000 0.5000000 -0.4608614), wk = 0.0032362 k( 294) = ( 0.5000000 0.5000000 -0.4706461), wk = 0.0032362 k( 295) = ( 0.5000000 0.5000000 -0.4804307), wk = 0.0032362 k( 296) = ( 0.5000000 0.5000000 -0.4902154), wk = 0.0032362 k( 297) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0032362 k( 298) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032362 k( 299) = ( 0.0227273 0.0227273 0.4772727), wk = 0.0032362 k( 300) = ( 0.0454546 0.0454545 0.4545455), wk = 0.0032362 k( 301) = ( 0.0681818 0.0681818 0.4318182), wk = 0.0032362 k( 302) = ( 0.0909091 0.0909091 0.4090909), wk = 0.0032362 k( 303) = ( 0.1136364 0.1136364 0.3863636), wk = 0.0032362 k( 304) = ( 0.1363636 0.1363636 0.3636364), wk = 0.0032362 k( 305) = ( 0.1590909 0.1590909 0.3409091), wk = 0.0032362 k( 306) = ( 0.1818182 0.1818182 0.3181818), wk = 0.0032362 k( 307) = ( 0.2045454 0.2045454 0.2954545), wk = 0.0032362 k( 308) = ( 0.2272727 0.2272727 0.2727273), wk = 0.0032362 k( 309) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0032362 Dense grid: 98631 G-vectors FFT dimensions: ( 96, 96, 96) Smooth grid: 96871 G-vectors FFT dimensions: ( 90, 90, 90) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.30 Mb ( 338, 58) NL pseudopotentials 0.50 Mb ( 169, 192) Each V/rho on FFT grid 0.28 Mb ( 18432) Each G-vector array 0.01 Mb ( 1370) G-vector shells 0.01 Mb ( 666) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.20 Mb ( 338, 232) Each subspace H/S matrix 0.02 Mb ( 38, 38) Each matrix 0.34 Mb ( 192, 2, 58) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./CsH3O2.save/charge-density.dat Starting wfc are 64 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.3 secs Computing kpt #: 2 total cpu time spent up to now is 8.4 secs Computing kpt #: 3 total cpu time spent up to now is 11.2 secs Computing kpt #: 4 total cpu time spent up to now is 14.3 secs Computing kpt #: 5 total cpu time spent up to now is 17.6 secs Computing kpt #: 6 total cpu time spent up to now is 20.3 secs Computing kpt #: 7 total cpu time spent up to now is 23.4 secs Computing kpt #: 8 total cpu time spent up to now is 26.1 secs Computing kpt #: 9 total cpu time spent up to now is 29.3 secs Computing kpt #: 10 total cpu time spent up to now is 32.1 secs Computing kpt #: 11 total cpu time spent up to now is 35.5 secs Computing kpt #: 12 total cpu time spent up to now is 38.1 secs Computing kpt #: 13 total cpu time spent up to now is 40.9 secs Computing kpt #: 14 total cpu time spent up to now is 43.8 secs Computing kpt #: 15 total cpu time spent up to now is 47.0 secs Computing kpt #: 16 total cpu time spent up to now is 50.3 secs Computing kpt #: 17 total cpu time spent up to now is 53.5 secs Computing kpt #: 18 total cpu time spent up to now is 56.5 secs Computing kpt #: 19 total cpu time spent up to now is 59.7 secs Computing kpt #: 20 total cpu time spent up to now is 63.2 secs Computing kpt #: 21 total cpu time spent up to now is 66.9 secs Computing kpt #: 22 total cpu time spent up to now is 70.8 secs Computing kpt #: 23 total cpu time spent up to now is 74.7 secs Computing kpt #: 24 total cpu time spent up to now is 78.8 secs Computing kpt #: 25 total cpu time spent up to now is 82.4 secs Computing kpt #: 26 total cpu time spent up to now is 86.1 secs Computing kpt #: 27 total cpu time spent up to now is 89.6 secs Computing kpt #: 28 total cpu time spent up to now is 94.0 secs Computing kpt #: 29 total cpu time spent up to now is 98.2 secs Computing kpt #: 30 total cpu time spent up to now is 101.7 secs Computing kpt #: 31 total cpu time spent up to now is 105.5 secs Computing kpt #: 32 total cpu time spent up to now is 108.7 secs Computing kpt #: 33 total cpu time spent up to now is 112.0 secs Computing kpt #: 34 total cpu time spent up to now is 115.3 secs Computing kpt #: 35 total cpu time spent up to now is 118.8 secs Computing kpt #: 36 total cpu time spent up to now is 122.2 secs Computing kpt #: 37 total cpu time spent up to now is 125.3 secs Computing kpt #: 38 total cpu time spent up to now is 128.8 secs Computing kpt #: 39 total cpu time spent up to now is 132.0 secs Computing kpt #: 40 total cpu time spent up to now is 136.2 secs Computing kpt #: 41 total cpu time spent up to now is 140.4 secs Computing kpt #: 42 total cpu time spent up to now is 144.1 secs Computing kpt #: 43 total cpu time spent up to now is 148.0 secs Computing kpt #: 44 total cpu time spent up to now is 152.7 secs Computing kpt #: 45 total cpu time spent up to now is 156.6 secs Computing kpt #: 46 total cpu time spent up to now is 161.1 secs Computing kpt #: 47 total cpu time spent up to now is 165.7 secs Computing kpt #: 48 total cpu time spent up to now is 170.3 secs Computing kpt #: 49 total cpu time spent up to now is 174.9 secs Computing kpt #: 50 total cpu time spent up to now is 178.7 secs Computing kpt #: 51 total cpu time spent up to now is 182.7 secs Computing kpt #: 52 total cpu time spent up to now is 186.8 secs Computing kpt #: 53 total cpu time spent up to now is 190.0 secs Computing kpt #: 54 total cpu time spent up to now is 194.1 secs Computing kpt #: 55 total cpu time spent up to now is 198.0 secs Computing kpt #: 56 total cpu time spent up to now is 202.0 secs Computing kpt #: 57 total cpu time spent up to now is 206.0 secs Computing kpt #: 58 total cpu time spent up to now is 210.0 secs Computing kpt #: 59 total cpu time spent up to now is 214.1 secs Computing kpt #: 60 total cpu time spent up to now is 217.9 secs Computing kpt #: 61 total cpu time spent up to now is 222.1 secs Computing kpt #: 62 total cpu time spent up to now is 226.2 secs Computing kpt #: 63 total cpu time spent up to now is 230.3 secs Computing kpt #: 64 total cpu time spent up to now is 234.3 secs Computing kpt #: 65 total cpu time spent up to now is 238.4 secs Computing kpt #: 66 total cpu time spent up to now is 242.1 secs Computing kpt #: 67 total cpu time spent up to now is 246.2 secs Computing kpt #: 68 total cpu time spent up to now is 250.6 secs Computing kpt #: 69 total cpu time spent up to now is 256.3 secs Computing kpt #: 70 total cpu time spent up to now is 261.3 secs Computing kpt #: 71 total cpu time spent up to now is 266.1 secs Computing kpt #: 72 total cpu time spent up to now is 271.2 secs Computing kpt #: 73 total cpu time spent up to now is 277.6 secs Computing kpt #: 74 total cpu time spent up to now is 282.5 secs Computing kpt #: 75 total cpu time spent up to now is 286.7 secs Computing kpt #: 76 total cpu time spent up to now is 290.7 secs Computing kpt #: 77 total cpu time spent up to now is 294.5 secs Computing kpt #: 78 total cpu time spent up to now is 298.0 secs Computing kpt #: 79 total cpu time spent up to now is 301.5 secs Computing kpt #: 80 total cpu time spent up to now is 305.0 secs Computing kpt #: 81 total cpu time spent up to now is 308.4 secs Computing kpt #: 82 total cpu time spent up to now is 311.6 secs Computing kpt #: 83 total cpu time spent up to now is 314.6 secs Computing kpt #: 84 total cpu time spent up to now is 317.9 secs Computing kpt #: 85 total cpu time spent up to now is 321.0 secs Computing kpt #: 86 total cpu time spent up to now is 323.9 secs Computing kpt #: 87 total cpu time spent up to now is 326.8 secs Computing kpt #: 88 total cpu time spent up to now is 330.2 secs Computing kpt #: 89 total cpu time spent up to now is 333.3 secs Computing kpt #: 90 total cpu time spent up to now is 336.5 secs Computing kpt #: 91 total cpu time spent up to now is 339.7 secs Computing kpt #: 92 total cpu time spent up to now is 342.9 secs Computing kpt #: 93 total cpu time spent up to now is 346.0 secs Computing kpt #: 94 total cpu time spent up to now is 349.8 secs Computing kpt #: 95 total cpu time spent up to now is 353.4 secs Computing kpt #: 96 total cpu time spent up to now is 356.6 secs Computing kpt #: 97 total cpu time spent up to now is 360.1 secs Computing kpt #: 98 total cpu time spent up to now is 363.7 secs Computing kpt #: 99 total cpu time spent up to now is 366.9 secs Computing kpt #: 100 total cpu time spent up to now is 370.4 secs Computing kpt #: 101 total cpu time spent up to now is 374.1 secs Computing kpt #: 102 total cpu time spent up to now is 377.0 secs Computing kpt #: 103 total cpu time spent up to now is 380.1 secs Computing kpt #: 104 total cpu time spent up to now is 382.8 secs Computing kpt #: 105 total cpu time spent up to now is 385.9 secs Computing kpt #: 106 total cpu time spent up to now is 389.1 secs Computing kpt #: 107 total cpu time spent up to now is 392.7 secs Computing kpt #: 108 total cpu time spent up to now is 395.7 secs Computing kpt #: 109 total cpu time spent up to now is 398.9 secs Computing kpt #: 110 total cpu time spent up to now is 401.9 secs Computing kpt #: 111 total cpu time spent up to now is 405.4 secs Computing kpt #: 112 total cpu time spent up to now is 408.9 secs Computing kpt #: 113 total cpu time spent up to now is 411.7 secs Computing kpt #: 114 total cpu time spent up to now is 415.0 secs Computing kpt #: 115 total cpu time spent up to now is 418.2 secs Computing kpt #: 116 total cpu time spent up to now is 421.1 secs Computing kpt #: 117 total cpu time spent up to now is 424.0 secs Computing kpt #: 118 total cpu time spent up to now is 427.4 secs Computing kpt #: 119 total cpu time spent up to now is 430.0 secs Computing kpt #: 120 total cpu time spent up to now is 432.8 secs Computing kpt #: 121 total cpu time spent up to now is 435.9 secs Computing kpt #: 122 total cpu time spent up to now is 439.0 secs Computing kpt #: 123 total cpu time spent up to now is 442.2 secs Computing kpt #: 124 total cpu time spent up to now is 445.1 secs Computing kpt #: 125 total cpu time spent up to now is 447.9 secs Computing kpt #: 126 total cpu time spent up to now is 450.6 secs Computing kpt #: 127 total cpu time spent up to now is 453.4 secs Computing kpt #: 128 total cpu time spent up to now is 456.5 secs Computing kpt #: 129 total cpu time spent up to now is 459.6 secs Computing kpt #: 130 total cpu time spent up to now is 462.7 secs Computing kpt #: 131 total cpu time spent up to now is 465.7 secs Computing kpt #: 132 total cpu time spent up to now is 468.9 secs Computing kpt #: 133 total cpu time spent up to now is 472.1 secs Computing kpt #: 134 total cpu time spent up to now is 474.9 secs Computing kpt #: 135 total cpu time spent up to now is 478.1 secs Computing kpt #: 136 total cpu time spent up to now is 480.8 secs Computing kpt #: 137 total cpu time spent up to now is 483.8 secs Computing kpt #: 138 total cpu time spent up to now is 486.5 secs Computing kpt #: 139 total cpu time spent up to now is 489.2 secs Computing kpt #: 140 total cpu time spent up to now is 492.0 secs Computing kpt #: 141 total cpu time spent up to now is 494.7 secs Computing kpt #: 142 total cpu time spent up to now is 497.8 secs Computing kpt #: 143 total cpu time spent up to now is 501.0 secs Computing kpt #: 144 total cpu time spent up to now is 504.1 secs Computing kpt #: 145 total cpu time spent up to now is 507.7 secs Computing kpt #: 146 total cpu time spent up to now is 511.4 secs Computing kpt #: 147 total cpu time spent up to now is 514.9 secs Computing kpt #: 148 total cpu time spent up to now is 518.6 secs Computing kpt #: 149 total cpu time spent up to now is 522.9 secs Computing kpt #: 150 total cpu time spent up to now is 527.1 secs Computing kpt #: 151 total cpu time spent up to now is 531.3 secs Computing kpt #: 152 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 536.7 secs Computing kpt #: 153 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 542.7 secs Computing kpt #: 154 total cpu time spent up to now is 545.8 secs Computing kpt #: 155 total cpu time spent up to now is 548.7 secs Computing kpt #: 156 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 554.6 secs Computing kpt #: 157 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 561.4 secs Computing kpt #: 158 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 567.9 secs Computing kpt #: 159 total cpu time spent up to now is 573.4 secs Computing kpt #: 160 total cpu time spent up to now is 577.2 secs Computing kpt #: 161 total cpu time spent up to now is 581.4 secs Computing kpt #: 162 total cpu time spent up to now is 584.9 secs Computing kpt #: 163 total cpu time spent up to now is 588.2 secs Computing kpt #: 164 total cpu time spent up to now is 591.0 secs Computing kpt #: 165 total cpu time spent up to now is 594.3 secs Computing kpt #: 166 total cpu time spent up to now is 597.3 secs Computing kpt #: 167 total cpu time spent up to now is 601.1 secs Computing kpt #: 168 total cpu time spent up to now is 603.8 secs Computing kpt #: 169 total cpu time spent up to now is 606.9 secs Computing kpt #: 170 total cpu time spent up to now is 609.5 secs Computing kpt #: 171 total cpu time spent up to now is 612.3 secs Computing kpt #: 172 total cpu time spent up to now is 615.5 secs Computing kpt #: 173 total cpu time spent up to now is 618.4 secs Computing kpt #: 174 total cpu time spent up to now is 621.3 secs Computing kpt #: 175 total cpu time spent up to now is 624.1 secs Computing kpt #: 176 total cpu time spent up to now is 626.9 secs Computing kpt #: 177 total cpu time spent up to now is 629.7 secs Computing kpt #: 178 total cpu time spent up to now is 632.5 secs Computing kpt #: 179 total cpu time spent up to now is 635.5 secs Computing kpt #: 180 total cpu time spent up to now is 638.2 secs Computing kpt #: 181 total cpu time spent up to now is 641.3 secs Computing kpt #: 182 total cpu time spent up to now is 644.0 secs Computing kpt #: 183 total cpu time spent up to now is 647.0 secs Computing kpt #: 184 total cpu time spent up to now is 650.3 secs Computing kpt #: 185 total cpu time spent up to now is 653.8 secs Computing kpt #: 186 total cpu time spent up to now is 657.2 secs Computing kpt #: 187 total cpu time spent up to now is 660.8 secs Computing kpt #: 188 total cpu time spent up to now is 664.3 secs Computing kpt #: 189 total cpu time spent up to now is 667.4 secs Computing kpt #: 190 total cpu time spent up to now is 670.5 secs Computing kpt #: 191 total cpu time spent up to now is 673.8 secs Computing kpt #: 192 total cpu time spent up to now is 677.1 secs Computing kpt #: 193 total cpu time spent up to now is 680.4 secs Computing kpt #: 194 total cpu time spent up to now is 683.4 secs Computing kpt #: 195 total cpu time spent up to now is 687.3 secs Computing kpt #: 196 total cpu time spent up to now is 692.8 secs Computing kpt #: 197 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 699.0 secs Computing kpt #: 198 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 705.1 secs Computing kpt #: 199 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 711.8 secs Computing kpt #: 200 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 717.6 secs Computing kpt #: 201 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 723.6 secs Computing kpt #: 202 total cpu time spent up to now is 728.7 secs Computing kpt #: 203 total cpu time spent up to now is 734.8 secs Computing kpt #: 204 total cpu time spent up to now is 741.3 secs Computing kpt #: 205 total cpu time spent up to now is 747.3 secs Computing kpt #: 206 total cpu time spent up to now is 752.9 secs Computing kpt #: 207 total cpu time spent up to now is 757.3 secs Computing kpt #: 208 total cpu time spent up to now is 761.0 secs Computing kpt #: 209 total cpu time spent up to now is 764.7 secs Computing kpt #: 210 total cpu time spent up to now is 768.3 secs Computing kpt #: 211 total cpu time spent up to now is 771.6 secs Computing kpt #: 212 total cpu time spent up to now is 775.3 secs Computing kpt #: 213 total cpu time spent up to now is 778.8 secs Computing kpt #: 214 total cpu time spent up to now is 782.1 secs Computing kpt #: 215 total cpu time spent up to now is 785.6 secs Computing kpt #: 216 total cpu time spent up to now is 789.2 secs Computing kpt #: 217 total cpu time spent up to now is 793.4 secs Computing kpt #: 218 total cpu time spent up to now is 797.4 secs Computing kpt #: 219 total cpu time spent up to now is 801.8 secs Computing kpt #: 220 total cpu time spent up to now is 805.7 secs Computing kpt #: 221 total cpu time spent up to now is 809.9 secs Computing kpt #: 222 total cpu time spent up to now is 813.8 secs Computing kpt #: 223 total cpu time spent up to now is 817.5 secs Computing kpt #: 224 total cpu time spent up to now is 821.3 secs Computing kpt #: 225 total cpu time spent up to now is 824.6 secs Computing kpt #: 226 total cpu time spent up to now is 828.3 secs Computing kpt #: 227 total cpu time spent up to now is 832.1 secs Computing kpt #: 228 total cpu time spent up to now is 836.2 secs Computing kpt #: 229 total cpu time spent up to now is 840.4 secs Computing kpt #: 230 total cpu time spent up to now is 845.4 secs Computing kpt #: 231 total cpu time spent up to now is 849.9 secs Computing kpt #: 232 total cpu time spent up to now is 855.5 secs Computing kpt #: 233 total cpu time spent up to now is 860.5 secs Computing kpt #: 234 total cpu time spent up to now is 865.8 secs Computing kpt #: 235 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 871.6 secs Computing kpt #: 236 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 877.8 secs Computing kpt #: 237 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 883.9 secs Computing kpt #: 238 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 889.8 secs Computing kpt #: 239 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 896.0 secs Computing kpt #: 240 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 902.4 secs Computing kpt #: 241 total cpu time spent up to now is 906.2 secs Computing kpt #: 242 total cpu time spent up to now is 910.0 secs Computing kpt #: 243 total cpu time spent up to now is 914.0 secs Computing kpt #: 244 total cpu time spent up to now is 918.1 secs Computing kpt #: 245 total cpu time spent up to now is 921.4 secs Computing kpt #: 246 total cpu time spent up to now is 925.1 secs Computing kpt #: 247 total cpu time spent up to now is 928.9 secs Computing kpt #: 248 total cpu time spent up to now is 932.7 secs Computing kpt #: 249 total cpu time spent up to now is 937.0 secs Computing kpt #: 250 total cpu time spent up to now is 941.4 secs Computing kpt #: 251 total cpu time spent up to now is 945.5 secs Computing kpt #: 252 total cpu time spent up to now is 949.5 secs Computing kpt #: 253 total cpu time spent up to now is 953.6 secs Computing kpt #: 254 total cpu time spent up to now is 957.3 secs Computing kpt #: 255 total cpu time spent up to now is 961.6 secs Computing kpt #: 256 total cpu time spent up to now is 965.8 secs Computing kpt #: 257 total cpu time spent up to now is 970.2 secs Computing kpt #: 258 total cpu time spent up to now is 974.4 secs Computing kpt #: 259 total cpu time spent up to now is 978.7 secs Computing kpt #: 260 total cpu time spent up to now is 982.9 secs Computing kpt #: 261 total cpu time spent up to now is 987.1 secs Computing kpt #: 262 total cpu time spent up to now is 991.7 secs Computing kpt #: 263 total cpu time spent up to now is 996.3 secs Computing kpt #: 264 total cpu time spent up to now is 1002.3 secs Computing kpt #: 265 total cpu time spent up to now is 1006.9 secs Computing kpt #: 266 total cpu time spent up to now is 1011.6 secs Computing kpt #: 267 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1018.0 secs Computing kpt #: 268 total cpu time spent up to now is 1023.6 secs Computing kpt #: 269 total cpu time spent up to now is 1029.6 secs Computing kpt #: 270 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1036.4 secs Computing kpt #: 271 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1043.5 secs Computing kpt #: 272 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1049.9 secs Computing kpt #: 273 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1055.8 secs Computing kpt #: 274 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1062.3 secs Computing kpt #: 275 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1068.6 secs Computing kpt #: 276 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1074.7 secs Computing kpt #: 277 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1081.1 secs Computing kpt #: 278 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1087.3 secs Computing kpt #: 279 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1093.4 secs Computing kpt #: 280 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1100.0 secs Computing kpt #: 281 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1106.0 secs Computing kpt #: 282 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1112.7 secs Computing kpt #: 283 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1119.1 secs Computing kpt #: 284 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1125.7 secs Computing kpt #: 285 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1133.2 secs Computing kpt #: 286 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1139.8 secs Computing kpt #: 287 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1146.0 secs Computing kpt #: 288 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1152.3 secs Computing kpt #: 289 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1158.5 secs Computing kpt #: 290 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1164.7 secs Computing kpt #: 291 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1170.8 secs Computing kpt #: 292 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1177.2 secs Computing kpt #: 293 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1183.2 secs Computing kpt #: 294 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1189.4 secs Computing kpt #: 295 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1195.6 secs Computing kpt #: 296 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1201.8 secs Computing kpt #: 297 total cpu time spent up to now is 1205.3 secs Computing kpt #: 298 total cpu time spent up to now is 1208.5 secs Computing kpt #: 299 total cpu time spent up to now is 1212.5 secs Computing kpt #: 300 total cpu time spent up to now is 1217.0 secs Computing kpt #: 301 total cpu time spent up to now is 1221.4 secs Computing kpt #: 302 total cpu time spent up to now is 1225.5 secs Computing kpt #: 303 total cpu time spent up to now is 1229.8 secs Computing kpt #: 304 total cpu time spent up to now is 1233.8 secs Computing kpt #: 305 total cpu time spent up to now is 1237.8 secs Computing kpt #: 306 total cpu time spent up to now is 1243.3 secs Computing kpt #: 307 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1249.6 secs Computing kpt #: 308 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1256.4 secs Computing kpt #: 309 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1263.1 secs ethr = 2.08E-08, avg # of iterations = 53.6 total cpu time spent up to now is 1263.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 12133 PWs) bands (ev): -15.1452 -15.1452 -14.8372 -14.8372 -13.8510 -13.8510 -13.3890 -13.3890 -12.7112 -12.7112 -11.5681 -11.5681 -3.6887 -3.6887 -3.4344 -3.4344 -2.7302 -2.7302 -2.6855 -2.6855 -2.6125 -2.6125 -2.0229 -2.0229 -1.9269 -1.9269 -1.7677 -1.7677 -1.4106 -1.4106 -0.9885 -0.9885 1.3626 1.3626 2.6098 2.6098 2.6932 2.6932 3.0970 3.0970 3.2374 3.2374 3.2406 3.2406 3.5525 3.5525 3.5603 3.5603 8.2977 8.2977 9.0599 9.0599 9.1810 9.1810 9.8824 9.8824 10.0665 10.0665 k = 0.0000 0.0000 0.0264 ( 12137 PWs) bands (ev): -15.1448 -15.1448 -14.8370 -14.8370 -13.8512 -13.8512 -13.3887 -13.3887 -12.7117 -12.7117 -11.5686 -11.5686 -3.6887 -3.6887 -3.4348 -3.4348 -2.7296 -2.7296 -2.6856 -2.6856 -2.6122 -2.6122 -2.0228 -2.0228 -1.9272 -1.9272 -1.7695 -1.7695 -1.4157 -1.4157 -0.9810 -0.9810 1.3614 1.3614 2.6094 2.6094 2.6927 2.6927 3.0971 3.0971 3.2367 3.2367 3.2407 3.2407 3.5518 3.5518 3.5596 3.5596 8.3016 8.3016 9.0625 9.0625 9.1837 9.1837 9.8838 9.8838 10.0671 10.0671 k = 0.0000 0.0000 0.0527 ( 12129 PWs) bands (ev): -15.1435 -15.1435 -14.8366 -14.8366 -13.8516 -13.8516 -13.3875 -13.3875 -12.7132 -12.7132 -11.5702 -11.5702 -3.6886 -3.6886 -3.4360 -3.4360 -2.7277 -2.7277 -2.6860 -2.6860 -2.6112 -2.6112 -2.0226 -2.0226 -1.9280 -1.9280 -1.7754 -1.7754 -1.4295 -1.4295 -0.9599 -0.9599 1.3581 1.3581 2.6081 2.6081 2.6915 2.6915 3.0975 3.0975 3.2330 3.2330 3.2427 3.2427 3.5493 3.5493 3.5575 3.5575 8.3133 8.3133 9.0703 9.0703 9.1916 9.1916 9.8880 9.8880 10.0692 10.0692 k = 0.0000 0.0000 0.0791 ( 12135 PWs) bands (ev): -15.1413 -15.1413 -14.8360 -14.8360 -13.8523 -13.8523 -13.3857 -13.3857 -12.7157 -12.7157 -11.5729 -11.5729 -3.6885 -3.6885 -3.4379 -3.4379 -2.7248 -2.7248 -2.6867 -2.6867 -2.6095 -2.6095 -2.0225 -2.0225 -1.9295 -1.9295 -1.7858 -1.7858 -1.4481 -1.4481 -0.9283 -0.9283 1.3524 1.3524 2.6052 2.6052 2.6901 2.6901 3.0982 3.0982 3.2261 3.2261 3.2466 3.2466 3.5448 3.5448 3.5547 3.5547 8.3326 8.3326 9.0833 9.0833 9.2047 9.2047 9.8951 9.8951 10.0726 10.0726 k = 0.0000 0.0000 0.1055 ( 12119 PWs) bands (ev): -15.1383 -15.1383 -14.8350 -14.8350 -13.8533 -13.8533 -13.3830 -13.3830 -12.7192 -12.7192 -11.5767 -11.5767 -3.6884 -3.6884 -3.4405 -3.4405 -2.7211 -2.7211 -2.6873 -2.6873 -2.6068 -2.6068 -2.0227 -2.0227 -1.9319 -1.9319 -1.8010 -1.8010 -1.4674 -1.4674 -0.8895 -0.8895 1.3446 1.3446 2.6000 2.6000 2.6894 2.6894 3.0992 3.0992 3.2167 3.2167 3.2523 3.2523 3.5379 3.5379 3.5513 3.5513 8.3592 8.3592 9.1014 9.1014 9.2231 9.2231 9.9050 9.9050 10.0774 10.0774 k = 0.0000 0.0000 0.1318 ( 12123 PWs) bands (ev): -15.1344 -15.1344 -14.8339 -14.8339 -13.8546 -13.8546 -13.3797 -13.3797 -12.7237 -12.7237 -11.5815 -11.5815 -3.6884 -3.6884 -3.4438 -3.4438 -2.7172 -2.7172 -2.6875 -2.6875 -2.6031 -2.6031 -2.0236 -2.0236 -1.9358 -1.9358 -1.8209 -1.8209 -1.4840 -1.4840 -0.8461 -0.8461 1.3346 1.3346 2.5915 2.5915 2.6904 2.6904 3.1004 3.1004 3.2050 3.2050 3.2594 3.2594 3.5288 3.5288 3.5474 3.5474 8.3928 8.3928 9.1247 9.1247 9.2466 9.2466 9.9176 9.9176 10.0836 10.0836 k = 0.0000 0.0000 0.1582 ( 12111 PWs) bands (ev): -15.1297 -15.1297 -14.8324 -14.8324 -13.8560 -13.8560 -13.3755 -13.3755 -12.7291 -12.7291 -11.5874 -11.5874 -3.6885 -3.6885 -3.4477 -3.4477 -2.7142 -2.7142 -2.6864 -2.6864 -2.5981 -2.5981 -2.0259 -2.0259 -1.9426 -1.9426 -1.8439 -1.8439 -1.4961 -1.4961 -0.7999 -0.7999 1.3225 1.3225 2.5794 2.5794 2.6935 2.6935 3.1019 3.1019 3.1913 3.1913 3.2681 3.2681 3.5177 3.5177 3.5430 3.5430 8.4329 8.4329 9.1530 9.1530 9.2754 9.2754 9.9329 9.9329 10.0913 10.0913 k = 0.0000 0.0000 0.1845 ( 12111 PWs) bands (ev): -15.1242 -15.1242 -14.8308 -14.8308 -13.8577 -13.8577 -13.3707 -13.3707 -12.7354 -12.7354 -11.5943 -11.5943 -3.6889 -3.6889 -3.4521 -3.4521 -2.7131 -2.7131 -2.6834 -2.6834 -2.5915 -2.5915 -2.0305 -2.0305 -1.9549 -1.9549 -1.8656 -1.8656 -1.5029 -1.5029 -0.7523 -0.7523 1.3084 1.3084 2.5635 2.5635 2.6989 2.6989 3.1037 3.1037 3.1759 3.1759 3.2781 3.2781 3.5049 3.5049 3.5379 3.5379 8.4791 8.4791 9.1863 9.1863 9.3092 9.3092 9.9509 9.9509 10.1006 10.1006 k = 0.0000 0.0000 0.2109 ( 12117 PWs) bands (ev): -15.1179 -15.1179 -14.8289 -14.8289 -13.8596 -13.8596 -13.3651 -13.3651 -12.7427 -12.7427 -11.6023 -11.6023 -3.6895 -3.6895 -3.4571 -3.4571 -2.7140 -2.7140 -2.6784 -2.6784 -2.5832 -2.5832 -2.0399 -2.0399 -1.9742 -1.9742 -1.8813 -1.8813 -1.5046 -1.5046 -0.7040 -0.7040 1.2923 1.2923 2.5443 2.5443 2.7064 2.7064 3.1057 3.1057 3.1591 3.1591 3.2893 3.2893 3.4906 3.4906 3.5321 3.5321 8.5308 8.5308 9.2245 9.2245 9.3481 9.3481 9.9715 9.9715 10.1114 10.1114 k = 0.0000 0.0000 0.2373 ( 12109 PWs) bands (ev): -15.1108 -15.1108 -14.8268 -14.8268 -13.8616 -13.8616 -13.3588 -13.3588 -12.7508 -12.7508 -11.6112 -11.6112 -3.6906 -3.6906 -3.4625 -3.4625 -2.7163 -2.7163 -2.6723 -2.6723 -2.5728 -2.5728 -2.0592 -2.0592 -1.9954 -1.9954 -1.8898 -1.8898 -1.5019 -1.5019 -0.6559 -0.6559 1.2744 1.2744 2.5222 2.5222 2.7157 2.7157 3.1078 3.1078 3.1414 3.1414 3.3016 3.3016 3.4750 3.4750 3.5257 3.5257 8.5874 8.5874 9.2676 9.2676 9.3919 9.3919 9.9946 9.9946 10.1239 10.1239 k = 0.0000 0.0000 0.2636 ( 12105 PWs) bands (ev): -15.1030 -15.1030 -14.8245 -14.8245 -13.8638 -13.8638 -13.3517 -13.3517 -12.7598 -12.7598 -11.6212 -11.6212 -3.6921 -3.6921 -3.4684 -3.4684 -2.7195 -2.7195 -2.6662 -2.6662 -2.5603 -2.5603 -2.0921 -2.0921 -2.0111 -2.0111 -1.8936 -1.8936 -1.4955 -1.4955 -0.6082 -0.6082 1.2546 1.2546 2.4978 2.4978 2.7266 2.7266 3.1091 3.1091 3.1238 3.1238 3.3150 3.3150 3.4583 3.4583 3.5186 3.5186 8.6481 8.6481 9.3153 9.3153 9.4407 9.4407 10.0200 10.0200 10.1383 10.1383 k = 0.0000 0.0000 0.2900 ( 12109 PWs) bands (ev): -15.0945 -15.0945 -14.8220 -14.8220 -13.8660 -13.8660 -13.3439 -13.3439 -12.7696 -12.7696 -11.6322 -11.6322 -3.6942 -3.6942 -3.4745 -3.4745 -2.7231 -2.7231 -2.6605 -2.6605 -2.5457 -2.5457 -2.1346 -2.1346 -2.0220 -2.0220 -1.8949 -1.8949 -1.4861 -1.4861 -0.5614 -0.5614 1.2332 1.2332 2.4718 2.4718 2.7387 2.7387 3.0997 3.0997 3.1166 3.1166 3.3292 3.3292 3.4409 3.4409 3.5110 3.5110 8.7122 8.7122 9.3676 9.3676 9.4943 9.4943 10.0478 10.0478 10.1546 10.1546 k = 0.0000 0.0000 0.3164 ( 12097 PWs) bands (ev): -15.0854 -15.0854 -14.8194 -14.8194 -13.8683 -13.8683 -13.3355 -13.3355 -12.7802 -12.7802 -11.6441 -11.6441 -3.6968 -3.6968 -3.4810 -3.4810 -2.7268 -2.7268 -2.6556 -2.6556 -2.5295 -2.5295 -2.1812 -2.1812 -2.0311 -2.0311 -1.8950 -1.8950 -1.4742 -1.4742 -0.5156 -0.5156 1.2101 1.2101 2.4445 2.4445 2.7520 2.7520 3.0805 3.0805 3.1188 3.1188 3.3441 3.3441 3.4229 3.4229 3.5027 3.5027 8.7791 8.7791 9.4244 9.4244 9.5527 9.5527 10.0776 10.0776 10.1729 10.1729 k = 0.0000 0.0000 0.3427 ( 12089 PWs) bands (ev): -15.0756 -15.0756 -14.8166 -14.8166 -13.8706 -13.8706 -13.3263 -13.3263 -12.7915 -12.7915 -11.6569 -11.6569 -3.7001 -3.7001 -3.4878 -3.4878 -2.7304 -2.7304 -2.6516 -2.6516 -2.5125 -2.5125 -2.2286 -2.2286 -2.0399 -2.0399 -1.8947 -1.8947 -1.4604 -1.4604 -0.4712 -0.4712 1.1854 1.1854 2.4166 2.4166 2.7662 2.7662 3.0599 3.0599 3.1222 3.1222 3.3595 3.3595 3.4046 3.4046 3.4941 3.4941 8.8479 8.8479 9.4854 9.4854 9.6157 9.6157 10.1094 10.1094 10.1935 10.1935 k = 0.0000 0.0000 0.3691 ( 12077 PWs) bands (ev): -15.0653 -15.0653 -14.8137 -14.8137 -13.8728 -13.8728 -13.3164 -13.3164 -12.8035 -12.8035 -11.6707 -11.6707 -3.7042 -3.7042 -3.4948 -3.4948 -2.7339 -2.7339 -2.6487 -2.6487 -2.4966 -2.4966 -2.2736 -2.2736 -2.0488 -2.0488 -1.8944 -1.8944 -1.4448 -1.4448 -0.4280 -0.4280 1.1592 1.1592 2.3886 2.3886 2.7810 2.7810 3.0387 3.0387 3.1261 3.1261 3.3749 3.3749 3.3868 3.3868 3.4850 3.4850 8.9178 8.9178 9.5505 9.5505 9.6833 9.6833 10.1429 10.1429 10.2165 10.2165 k = 0.0000 0.0000 0.3955 ( 12073 PWs) bands (ev): -15.0544 -15.0544 -14.8106 -14.8106 -13.8749 -13.8749 -13.3058 -13.3058 -12.8162 -12.8162 -11.6854 -11.6854 -3.7090 -3.7090 -3.5020 -3.5020 -2.7371 -2.7371 -2.6470 -2.6470 -2.4859 -2.4859 -2.3117 -2.3117 -2.0579 -2.0579 -1.8944 -1.8944 -1.4279 -1.4279 -0.3864 -0.3864 1.1316 1.1316 2.3612 2.3612 2.7965 2.7965 3.0171 3.0171 3.1302 3.1302 3.3674 3.3674 3.3921 3.3921 3.4757 3.4757 8.9881 8.9881 9.6195 9.6195 9.7552 9.7552 10.1778 10.1778 10.2420 10.2420 k = 0.0000 0.0000 0.4218 ( 12095 PWs) bands (ev): -15.0430 -15.0430 -14.8075 -14.8075 -13.8768 -13.8768 -13.2945 -13.2945 -12.8295 -12.8295 -11.7009 -11.7009 -3.7145 -3.7145 -3.5095 -3.5095 -2.7400 -2.7400 -2.6465 -2.6465 -2.4877 -2.4877 -2.3349 -2.3349 -2.0674 -2.0674 -1.8949 -1.8949 -1.4098 -1.4098 -0.3462 -0.3462 1.1026 1.1026 2.3346 2.3346 2.8124 2.8124 2.9950 2.9950 3.1345 3.1345 3.3495 3.3495 3.4081 3.4081 3.4663 3.4663 9.0578 9.0578 9.6920 9.6920 9.8315 9.8315 10.2139 10.2139 10.2701 10.2701 k = 0.0000 0.0000 0.4482 ( 12093 PWs) bands (ev): -15.0312 -15.0312 -14.8043 -14.8043 -13.8785 -13.8785 -13.2826 -13.2826 -12.8434 -12.8434 -11.7173 -11.7173 -3.7209 -3.7209 -3.5171 -3.5171 -2.7425 -2.7425 -2.6478 -2.6478 -2.5071 -2.5071 -2.3378 -2.3378 -2.0770 -2.0770 -1.8960 -1.8960 -1.3909 -1.3909 -0.3074 -0.3074 1.0723 1.0723 2.3095 2.3095 2.8286 2.8286 2.9725 2.9725 3.1390 3.1390 3.3321 3.3321 3.4236 3.4236 3.4575 3.4575 9.1264 9.1264 9.7678 9.7678 9.9119 9.9119 10.2507 10.2507 10.3009 10.3009 k = 0.0000 0.0000 0.4745 ( 12097 PWs) bands (ev): -15.0191 -15.0191 -14.8011 -14.8011 -13.8799 -13.8799 -13.2699 -13.2699 -12.8578 -12.8578 -11.7345 -11.7345 -3.7281 -3.7281 -3.5250 -3.5250 -2.7446 -2.7446 -2.6519 -2.6519 -2.5383 -2.5383 -2.3255 -2.3255 -2.0865 -2.0865 -1.8977 -1.8977 -1.3712 -1.3712 -0.2700 -0.2700 1.0407 1.0407 2.2863 2.2863 2.8449 2.8449 2.9496 2.9496 3.1435 3.1435 3.3153 3.3153 3.4352 3.4352 3.4527 3.4527 9.1929 9.1929 9.8466 9.8466 9.9962 9.9962 10.2879 10.2879 10.3344 10.3344 k = 0.0000 0.0000 0.5009 ( 12105 PWs) bands (ev): -15.0066 -15.0066 -14.7978 -14.7978 -13.8809 -13.8809 -13.2567 -13.2567 -12.8727 -12.8727 -11.7525 -11.7525 -3.7362 -3.7362 -3.5331 -3.5331 -2.7464 -2.7464 -2.6612 -2.6612 -2.5707 -2.5707 -2.3062 -2.3062 -2.0956 -2.0956 -1.9001 -1.9001 -1.3509 -1.3509 -0.2338 -0.2338 1.0079 1.0079 2.2653 2.2653 2.8613 2.8613 2.9263 2.9263 3.1479 3.1479 3.2992 3.2992 3.4329 3.4329 3.4618 3.4618 9.2569 9.2569 9.9277 9.9277 10.0842 10.0842 10.3248 10.3248 10.3701 10.3701 k = 0.0000 0.0000 0.5273 ( 12091 PWs) bands (ev): -14.9939 -14.9939 -14.7945 -14.7945 -13.8816 -13.8816 -13.2428 -13.2428 -12.8881 -12.8881 -11.7713 -11.7713 -3.7450 -3.7450 -3.5414 -3.5414 -2.7483 -2.7483 -2.6798 -2.6798 -2.5959 -2.5959 -2.2851 -2.2851 -2.1034 -2.1034 -1.9029 -1.9029 -1.3301 -1.3301 -0.1987 -0.1987 0.9739 0.9739 2.2469 2.2469 2.8776 2.8776 2.9025 2.9025 3.1521 3.1521 3.2841 3.2841 3.4252 3.4252 3.4765 3.4765 9.3178 9.3178 10.0107 10.0107 10.1757 10.1757 10.3609 10.3609 10.4079 10.4079 k = 0.0000 0.0000 0.5536 ( 12093 PWs) bands (ev): -14.9810 -14.9810 -14.7913 -14.7913 -13.8817 -13.8817 -13.2282 -13.2282 -12.9039 -12.9039 -11.7908 -11.7908 -3.7546 -3.7546 -3.5499 -3.5499 -2.7513 -2.7513 -2.7079 -2.7079 -2.6104 -2.6104 -2.2658 -2.2658 -2.1087 -2.1087 -1.9061 -1.9061 -1.3089 -1.3089 -0.1644 -0.1644 0.9388 0.9388 2.2312 2.2312 2.8783 2.8783 2.8936 2.8936 3.1559 3.1559 3.2699 3.2699 3.4172 3.4172 3.4918 3.4918 9.3753 9.3753 10.0948 10.0948 10.2699 10.2699 10.3958 10.3958 10.4468 10.4468 k = 0.0000 0.0000 0.5800 ( 12097 PWs) bands (ev): -14.9681 -14.9681 -14.7880 -14.7880 -13.8813 -13.8813 -13.2130 -13.2130 -12.9201 -12.9201 -11.8110 -11.8110 -3.7650 -3.7650 -3.5588 -3.5588 -2.7629 -2.7629 -2.7333 -2.7333 -2.6181 -2.6181 -2.2514 -2.2514 -2.1095 -2.1095 -1.9093 -1.9093 -1.2874 -1.2874 -0.1308 -0.1308 0.9026 0.9026 2.2185 2.2185 2.8535 2.8535 2.9094 2.9094 3.1592 3.1592 3.2568 3.2568 3.4098 3.4098 3.5068 3.5068 9.4291 9.4291 10.1791 10.1791 10.3645 10.3645 10.4305 10.4305 10.4860 10.4860 k = 0.0000 0.0000 0.6064 ( 12103 PWs) bands (ev): -14.9550 -14.9550 -14.7848 -14.7848 -13.8803 -13.8803 -13.1972 -13.1972 -12.9368 -12.9368 -11.8319 -11.8319 -3.7762 -3.7762 -3.5679 -3.5679 -2.7936 -2.7936 -2.7414 -2.7414 -2.6225 -2.6225 -2.2447 -2.2447 -2.1043 -2.1043 -1.9122 -1.9122 -1.2657 -1.2657 -0.0976 -0.0976 0.8653 0.8653 2.2089 2.2089 2.8283 2.8283 2.9247 2.9247 3.1617 3.1617 3.2447 3.2447 3.4035 3.4035 3.5214 3.5214 9.4793 9.4793 10.2624 10.2624 10.4392 10.4392 10.4840 10.4840 10.5244 10.5244 k = 0.0000 0.0000 0.6327 ( 12099 PWs) bands (ev): -14.9421 -14.9421 -14.7817 -14.7817 -13.8786 -13.8786 -13.1808 -13.1808 -12.9537 -12.9537 -11.8534 -11.8534 -3.7881 -3.7881 -3.5773 -3.5773 -2.8304 -2.8304 -2.7431 -2.7431 -2.6254 -2.6254 -2.2462 -2.2462 -2.0933 -2.0933 -1.9144 -1.9144 -1.2438 -1.2438 -0.0644 -0.0644 0.8270 0.8270 2.2024 2.2024 2.8025 2.8025 2.9395 2.9395 3.1632 3.1632 3.2337 3.2337 3.3986 3.3986 3.5354 3.5354 9.5259 9.5259 10.3432 10.3432 10.4712 10.4712 10.5593 10.5593 10.5779 10.5779 k = 0.0000 0.0000 0.6591 ( 12111 PWs) bands (ev): -14.9292 -14.9292 -14.7786 -14.7786 -13.8762 -13.8762 -13.1639 -13.1639 -12.9710 -12.9710 -11.8755 -11.8755 -3.8006 -3.8006 -3.5871 -3.5871 -2.8672 -2.8672 -2.7436 -2.7436 -2.6273 -2.6273 -2.2542 -2.2542 -2.0789 -2.0789 -1.9153 -1.9153 -1.2217 -1.2217 -0.0309 -0.0309 0.7876 0.7876 2.1988 2.1988 2.7763 2.7763 2.9537 2.9537 3.1637 3.1637 3.2237 3.2237 3.3953 3.3953 3.5487 3.5487 9.5692 9.5692 10.4197 10.4197 10.4917 10.4917 10.5916 10.5916 10.6758 10.6758 k = 0.0000 0.0000 0.6854 ( 12109 PWs) bands (ev): -14.9165 -14.9165 -14.7757 -14.7757 -13.8729 -13.8729 -13.1463 -13.1463 -12.9886 -12.9886 -11.8982 -11.8982 -3.8136 -3.8136 -3.5973 -3.5973 -2.9026 -2.9026 -2.7441 -2.7441 -2.6285 -2.6285 -2.2666 -2.2666 -2.0642 -2.0642 -1.9142 -1.9142 -1.1994 -1.1994 0.0032 0.0032 0.7474 0.7474 2.1982 2.1982 2.7498 2.7498 2.9671 2.9671 3.1630 3.1630 3.2147 3.2147 3.3937 3.3937 3.5614 3.5614 9.6096 9.6096 10.4884 10.4884 10.5082 10.5082 10.6181 10.6181 10.7677 10.7677 k = 0.0000 0.0000 0.7118 ( 12105 PWs) bands (ev): -14.9041 -14.9041 -14.7729 -14.7729 -13.8688 -13.8688 -13.1282 -13.1282 -13.0065 -13.0065 -11.9214 -11.9214 -3.8272 -3.8272 -3.6078 -3.6078 -2.9363 -2.9363 -2.7450 -2.7450 -2.6290 -2.6290 -2.2817 -2.2817 -2.0514 -2.0514 -1.9105 -1.9105 -1.1770 -1.1770 0.0383 0.0383 0.7061 0.7061 2.2001 2.2001 2.7229 2.7229 2.9798 2.9798 3.1609 3.1609 3.2066 3.2066 3.3939 3.3939 3.5732 3.5732 9.6476 9.6476 10.5118 10.5118 10.5572 10.5572 10.6384 10.6384 10.8397 10.8397 k = 0.0000 0.0000 0.7382 ( 12119 PWs) bands (ev): -14.8919 -14.8919 -14.7701 -14.7701 -13.8638 -13.8638 -13.1095 -13.1095 -13.0246 -13.0246 -11.9452 -11.9452 -3.8411 -3.8411 -3.6188 -3.6188 -2.9680 -2.9680 -2.7468 -2.7468 -2.6287 -2.6287 -2.2983 -2.2983 -2.0419 -2.0419 -1.9041 -1.9041 -1.1544 -1.1544 0.0748 0.0748 0.6640 0.6640 2.2042 2.2042 2.6960 2.6960 2.9916 2.9916 3.1576 3.1576 3.1993 3.1993 3.3959 3.3959 3.5843 3.5843 9.6835 9.6835 10.5154 10.5154 10.6125 10.6125 10.6526 10.6526 10.8812 10.8812 k = 0.0000 0.0000 0.7645 ( 12107 PWs) bands (ev): -14.8801 -14.8801 -14.7675 -14.7675 -13.8578 -13.8578 -13.0903 -13.0903 -13.0430 -13.0430 -11.9694 -11.9694 -3.8553 -3.8553 -3.6302 -3.6302 -2.9974 -2.9974 -2.7499 -2.7499 -2.6274 -2.6274 -2.3155 -2.3155 -2.0360 -2.0360 -1.8954 -1.8954 -1.1315 -1.1315 0.1128 0.1128 0.6210 0.6210 2.2100 2.2100 2.6693 2.6693 3.0025 3.0025 3.1532 3.1532 3.1929 3.1929 3.3997 3.3997 3.5945 3.5945 9.7178 9.7178 10.5137 10.5137 10.6480 10.6480 10.6733 10.6733 10.9017 10.9017 k = 0.0000 0.0000 0.7909 ( 12113 PWs) bands (ev): -14.8688 -14.8688 -14.7651 -14.7651 -13.8508 -13.8508 -13.0706 -13.0706 -13.0617 -13.0617 -11.9941 -11.9941 -3.8695 -3.8695 -3.6422 -3.6422 -3.0246 -3.0246 -2.7549 -2.7549 -2.6250 -2.6250 -2.3325 -2.3325 -2.0332 -2.0332 -1.8854 -1.8854 -1.1083 -1.1083 0.1528 0.1528 0.5772 0.5772 2.2168 2.2168 2.6432 2.6432 3.0124 3.0124 3.1479 3.1479 3.1870 3.1870 3.4050 3.4050 3.6039 3.6039 9.7509 9.7509 10.5078 10.5078 10.6509 10.6509 10.7147 10.7147 10.9143 10.9143 k = 0.0000 0.0000 0.8173 ( 12107 PWs) bands (ev): -14.8579 -14.8579 -14.7628 -14.7628 -13.8428 -13.8428 -13.0806 -13.0806 -13.0503 -13.0503 -12.0191 -12.0191 -3.8838 -3.8838 -3.6546 -3.6546 -3.0495 -3.0495 -2.7620 -2.7620 -2.6214 -2.6214 -2.3488 -2.3488 -2.0329 -2.0329 -1.8751 -1.8751 -1.0848 -1.0848 0.1949 0.1949 0.5327 0.5327 2.2235 2.2235 2.6186 2.6186 3.0213 3.0213 3.1419 3.1419 3.1816 3.1816 3.4117 3.4117 3.6124 3.6124 9.7834 9.7834 10.4985 10.4985 10.6439 10.6439 10.7562 10.7562 10.9257 10.9257 k = 0.0000 0.0000 0.8436 ( 12117 PWs) bands (ev): -14.8475 -14.8475 -14.7606 -14.7606 -13.8337 -13.8337 -13.0997 -13.0997 -13.0296 -13.0296 -12.0446 -12.0446 -3.8978 -3.8978 -3.6675 -3.6675 -3.0722 -3.0722 -2.7716 -2.7716 -2.6166 -2.6166 -2.3637 -2.3637 -2.0342 -2.0342 -1.8655 -1.8655 -1.0608 -1.0608 0.2394 0.2394 0.4874 0.4874 2.2289 2.2289 2.5964 2.5964 3.0292 3.0292 3.1354 3.1354 3.1764 3.1764 3.4196 3.4196 3.6201 3.6201 9.8156 9.8156 10.4866 10.4866 10.6314 10.6314 10.7960 10.7960 10.9382 10.9382 k = 0.0000 0.0000 0.8700 ( 12137 PWs) bands (ev): -14.8377 -14.8377 -14.7587 -14.7587 -13.8236 -13.8236 -13.1190 -13.1190 -13.0084 -13.0084 -12.0704 -12.0704 -3.9115 -3.9115 -3.6809 -3.6809 -3.0926 -3.0926 -2.7838 -2.7838 -2.6106 -2.6106 -2.3768 -2.3768 -2.0366 -2.0366 -1.8575 -1.8575 -1.0364 -1.0364 0.2863 0.2863 0.4414 0.4414 2.2313 2.2313 2.5779 2.5779 3.0359 3.0359 3.1288 3.1288 3.1714 3.1714 3.4284 3.4284 3.6268 3.6268 9.8478 9.8478 10.4727 10.4727 10.6146 10.6146 10.8349 10.8349 10.9527 10.9527 k = 0.0000 0.0000 0.8964 ( 12130 PWs) bands (ev): -14.8285 -14.8285 -14.7568 -14.7568 -13.8124 -13.8124 -13.1386 -13.1386 -12.9867 -12.9867 -12.0966 -12.0966 -3.9247 -3.9247 -3.6949 -3.6949 -3.1109 -3.1109 -2.7986 -2.7986 -2.6035 -2.6035 -2.3877 -2.3877 -2.0398 -2.0398 -1.8513 -1.8513 -1.0113 -1.0113 0.3358 0.3358 0.3949 0.3949 2.2288 2.2288 2.5647 2.5647 3.0416 3.0416 3.1223 3.1223 3.1663 3.1663 3.4381 3.4381 3.6328 3.6328 9.8805 9.8805 10.4574 10.4574 10.5948 10.5948 10.8735 10.8735 10.9698 10.9698 k = 0.0000 0.0000 0.9227 ( 12140 PWs) bands (ev): -14.8198 -14.8198 -14.7552 -14.7552 -13.8002 -13.8002 -13.1584 -13.1584 -12.9645 -12.9645 -12.1230 -12.1230 -3.9372 -3.9372 -3.7094 -3.7094 -3.1270 -3.1270 -2.8159 -2.8159 -2.5953 -2.5953 -2.3963 -2.3963 -2.0435 -2.0435 -1.8474 -1.8474 -0.9855 -0.9855 0.3474 0.3474 0.3882 0.3882 2.2197 2.2197 2.5582 2.5582 3.0461 3.0461 3.1159 3.1159 3.1609 3.1609 3.4483 3.4483 3.6379 3.6379 9.9140 9.9140 10.4414 10.4414 10.5730 10.5730 10.9123 10.9123 10.9893 10.9893 k = 0.0000 0.0000 0.9491 ( 12152 PWs) bands (ev): -14.8118 -14.8118 -14.7537 -14.7537 -13.7869 -13.7869 -13.1784 -13.1784 -12.9419 -12.9419 -12.1497 -12.1497 -3.9488 -3.9488 -3.7243 -3.7243 -3.1411 -3.1411 -2.8353 -2.8353 -2.5863 -2.5863 -2.4025 -2.4025 -2.0474 -2.0474 -1.8459 -1.8459 -0.9588 -0.9588 0.2999 0.2999 0.4426 0.4426 2.2030 2.2030 2.5590 2.5590 3.0495 3.0495 3.1100 3.1100 3.1553 3.1553 3.4591 3.4591 3.6421 3.6421 9.9484 9.9484 10.4250 10.4250 10.5498 10.5498 10.9514 10.9514 11.0113 11.0113 k = 0.0000 0.0000 0.9754 ( 12132 PWs) bands (ev): -14.8043 -14.8043 -14.7524 -14.7524 -13.7727 -13.7727 -13.1986 -13.1986 -12.9189 -12.9189 -12.1766 -12.1766 -3.9594 -3.9594 -3.7397 -3.7397 -3.1531 -3.1531 -2.8565 -2.8565 -2.5765 -2.5765 -2.4066 -2.4066 -2.0514 -2.0514 -1.8468 -1.8468 -0.9313 -0.9313 0.2519 0.2519 0.4996 0.4996 2.1787 2.1787 2.5669 2.5669 3.0516 3.0516 3.1046 3.1046 3.1492 3.1492 3.4701 3.4701 3.6456 3.6456 9.9842 9.9842 10.4086 10.4086 10.5260 10.5260 10.9906 10.9906 11.0355 11.0355 k = 0.0000 0.0000 1.0018 ( 12132 PWs) bands (ev): -14.7974 -14.7974 -14.7512 -14.7512 -13.7575 -13.7575 -13.2190 -13.2190 -12.8955 -12.8955 -12.2037 -12.2037 -3.9689 -3.9689 -3.7555 -3.7555 -3.1633 -3.1633 -2.8791 -2.8791 -2.5662 -2.5662 -2.4087 -2.4087 -2.0553 -2.0553 -1.8500 -1.8500 -0.9027 -0.9027 0.2035 0.2035 0.5588 0.5588 2.1477 2.1477 2.5808 2.5808 3.0525 3.0525 3.0998 3.0998 3.1427 3.1427 3.4814 3.4814 3.6482 3.6482 10.0214 10.0214 10.3926 10.3926 10.5022 10.5022 11.0298 11.0298 11.0619 11.0619 k = 0.0000 0.0000 1.0282 ( 12144 PWs) bands (ev): -14.7912 -14.7912 -14.7502 -14.7502 -13.7414 -13.7414 -13.2397 -13.2397 -12.8717 -12.8717 -12.2310 -12.2310 -3.9771 -3.9771 -3.7716 -3.7716 -3.1715 -3.1715 -2.9025 -2.9025 -2.5553 -2.5553 -2.4091 -2.4091 -2.0590 -2.0590 -1.8555 -1.8555 -0.8730 -0.8730 0.1548 0.1548 0.6201 0.6201 2.1109 2.1109 2.5994 2.5994 3.0521 3.0521 3.0957 3.0957 3.1356 3.1356 3.4929 3.4929 3.6500 3.6500 10.0603 10.0603 10.3773 10.3773 10.4787 10.4787 11.0682 11.0682 11.0903 11.0903 k = 0.0000 0.0000 1.0545 ( 12130 PWs) bands (ev): -14.7854 -14.7854 -14.7494 -14.7494 -13.7244 -13.7244 -13.2605 -13.2605 -12.8475 -12.8475 -12.2584 -12.2584 -3.9839 -3.9839 -3.7880 -3.7880 -3.1780 -3.1780 -2.9264 -2.9264 -2.5440 -2.5440 -2.4082 -2.4082 -2.0623 -2.0623 -1.8631 -1.8631 -0.8421 -0.8421 0.1059 0.1059 0.6833 0.6833 2.0693 2.0693 2.6214 2.6214 3.0504 3.0504 3.0923 3.0923 3.1281 3.1281 3.5043 3.5043 3.6510 3.6510 10.1010 10.1010 10.3628 10.3628 10.4559 10.4559 11.1048 11.1048 11.1209 11.1209 k = 0.0000 0.0000 1.0809 ( 12130 PWs) bands (ev): -14.7803 -14.7803 -14.7488 -14.7488 -13.7066 -13.7066 -13.2816 -13.2816 -12.8230 -12.8230 -12.2860 -12.2860 -3.9892 -3.9892 -3.8046 -3.8046 -3.1828 -3.1828 -2.9504 -2.9504 -2.5323 -2.5323 -2.4065 -2.4065 -2.0649 -2.0649 -1.8725 -1.8725 -0.8099 -0.8099 0.0569 0.0569 0.7481 0.7481 2.0237 2.0237 2.6459 2.6459 3.0473 3.0473 3.0895 3.0895 3.1202 3.1202 3.5157 3.5157 3.6512 3.6512 10.1437 10.1437 10.3495 10.3495 10.4342 10.4342 11.1386 11.1386 11.1533 11.1533 k = 0.0000 0.0000 1.1073 ( 12118 PWs) bands (ev): -14.7756 -14.7756 -14.7483 -14.7483 -13.6881 -13.6881 -13.3029 -13.3029 -12.7981 -12.7981 -12.3136 -12.3136 -3.9929 -3.9929 -3.8213 -3.8213 -3.1858 -3.1858 -2.9741 -2.9741 -2.5205 -2.5205 -2.4043 -2.4043 -2.0667 -2.0667 -1.8836 -1.8836 -0.7765 -0.7765 0.0079 0.0079 0.8144 0.8144 1.9748 1.9748 2.6721 2.6721 3.0428 3.0428 3.0870 3.0870 3.1123 3.1123 3.5270 3.5270 3.6506 3.6506 10.1885 10.1885 10.3374 10.3374 10.4136 10.4136 11.1702 11.1702 11.1841 11.1841 k = 0.0000 0.0000 1.1336 ( 12126 PWs) bands (ev): -14.7714 -14.7714 -14.7479 -14.7479 -13.6690 -13.6690 -13.3243 -13.3243 -12.7729 -12.7729 -12.3413 -12.3413 -3.9951 -3.9951 -3.8380 -3.8380 -3.1871 -3.1871 -2.9972 -2.9972 -2.5085 -2.5085 -2.4022 -2.4022 -2.0674 -2.0674 -1.8961 -1.8961 -0.7418 -0.7418 -0.0411 -0.0411 0.8818 0.8818 1.9228 1.9228 2.6993 2.6993 3.0367 3.0367 3.0849 3.0849 3.1046 3.1046 3.5381 3.5381 3.6493 3.6493 10.2353 10.2353 10.3268 10.3268 10.3945 10.3945 11.1873 11.1873 11.2007 11.2008 k = 0.0000 0.0000 1.1600 ( 12110 PWs) bands (ev): -14.7677 -14.7677 -14.7478 -14.7478 -13.6492 -13.6492 -13.3459 -13.3459 -12.7474 -12.7474 -12.3690 -12.3690 -3.9956 -3.9956 -3.8545 -3.8545 -3.1869 -3.1869 -3.0195 -3.0195 -2.4965 -2.4965 -2.4004 -2.4004 -2.0668 -2.0668 -1.9097 -1.9097 -0.7058 -0.7058 -0.0899 -0.0899 0.9500 0.9500 1.8683 1.8683 2.7271 2.7271 3.0286 3.0286 3.0829 3.0829 3.0976 3.0976 3.5489 3.5489 3.6472 3.6472 10.2840 10.2840 10.3178 10.3178 10.3770 10.3770 11.1339 11.1339 11.2293 11.2293 k = 0.0000 0.0000 1.1864 ( 12106 PWs) bands (ev): -14.7644 -14.7644 -14.7478 -14.7478 -13.6290 -13.6290 -13.3677 -13.3677 -12.7217 -12.7217 -12.3967 -12.3967 -3.9945 -3.9945 -3.8707 -3.8707 -3.1850 -3.1850 -3.0408 -3.0408 -2.4846 -2.4846 -2.3995 -2.3995 -2.0646 -2.0646 -1.9242 -1.9242 -0.6684 -0.6684 -0.1385 -0.1385 1.0190 1.0190 1.8114 1.8114 2.7550 2.7550 3.0184 3.0184 3.0810 3.0810 3.0917 3.0917 3.5593 3.5593 3.6444 3.6444 10.3095 10.3095 10.3351 10.3351 10.3617 10.3617 11.0707 11.0707 11.2564 11.2565 k = 0.0000 0.0000 1.2127 ( 12098 PWs) bands (ev): -14.7614 -14.7614 -14.7480 -14.7480 -13.6082 -13.6082 -13.3896 -13.3896 -12.6956 -12.6956 -12.4244 -12.4244 -3.9917 -3.9917 -3.8866 -3.8866 -3.1815 -3.1815 -3.0609 -3.0609 -2.4729 -2.4729 -2.3997 -2.3997 -2.0606 -2.0606 -1.9393 -1.9393 -0.6298 -0.6298 -0.1867 -0.1867 1.0883 1.0883 1.7523 1.7523 2.7829 2.7829 3.0058 3.0058 3.0793 3.0793 3.0870 3.0870 3.5694 3.5694 3.6409 3.6409 10.3039 10.3039 10.3457 10.3457 10.3898 10.3898 11.0059 11.0059 11.2815 11.2815 k = 0.0000 0.0000 1.2391 ( 12102 PWs) bands (ev): -14.7589 -14.7589 -14.7483 -14.7483 -13.5871 -13.5871 -13.4116 -13.4116 -12.6693 -12.6693 -12.4521 -12.4521 -3.9872 -3.9872 -3.9018 -3.9018 -3.1764 -3.1764 -3.0797 -3.0797 -2.4615 -2.4615 -2.4013 -2.4013 -2.0547 -2.0547 -1.9548 -1.9548 -0.5900 -0.5900 -0.2345 -0.2345 1.1577 1.1577 1.6914 1.6914 2.8103 2.8103 2.9908 2.9908 3.0778 3.0778 3.0835 3.0835 3.5791 3.5791 3.6366 3.6366 10.2998 10.2998 10.3335 10.3335 10.4446 10.4446 10.9406 10.9406 11.3038 11.3038 k = 0.0000 0.0000 1.2654 ( 12102 PWs) bands (ev): -14.7566 -14.7566 -14.7488 -14.7488 -13.5657 -13.5657 -13.4337 -13.4337 -12.6427 -12.6427 -12.4797 -12.4797 -3.9812 -3.9812 -3.9163 -3.9163 -3.1697 -3.1697 -3.0971 -3.0971 -2.4505 -2.4505 -2.4043 -2.4043 -2.0470 -2.0470 -1.9702 -1.9702 -0.5490 -0.5490 -0.2818 -0.2818 1.2270 1.2270 1.6287 1.6287 2.8370 2.8370 2.9737 2.9737 3.0768 3.0768 3.0809 3.0809 3.5883 3.5883 3.6316 3.6316 10.2975 10.2975 10.3228 10.3228 10.5017 10.5017 10.8753 10.8753 11.3228 11.3228 k = 0.0000 0.0000 1.2918 ( 12104 PWs) bands (ev): -14.7547 -14.7547 -14.7496 -14.7496 -13.5440 -13.5440 -13.4559 -13.4559 -12.6160 -12.6160 -12.5072 -12.5072 -3.9737 -3.9737 -3.9300 -3.9300 -3.1615 -3.1615 -3.1130 -3.1130 -2.4402 -2.4402 -2.4089 -2.4089 -2.0375 -2.0375 -1.9854 -1.9854 -0.5068 -0.5068 -0.3284 -0.3284 1.2960 1.2960 1.5645 1.5645 2.8630 2.8630 2.9547 2.9547 3.0762 3.0762 3.0789 3.0789 3.5970 3.5970 3.6260 3.6260 10.2971 10.2971 10.3139 10.3139 10.5606 10.5606 10.8105 10.8105 11.3379 11.3379 k = 0.0000 0.0000 1.3182 ( 12118 PWs) bands (ev): -14.7531 -14.7531 -14.7505 -14.7505 -13.5221 -13.5221 -13.4780 -13.4780 -12.5890 -12.5890 -12.5346 -12.5346 -3.9647 -3.9647 -3.9427 -3.9427 -3.1517 -3.1517 -3.1274 -3.1274 -2.4307 -2.4307 -2.4149 -2.4149 -2.0263 -2.0263 -2.0000 -2.0000 -0.4636 -0.4636 -0.3743 -0.3743 1.3645 1.3645 1.4989 1.4989 2.8879 2.8879 2.9339 2.9339 3.0761 3.0761 3.0775 3.0775 3.6052 3.6052 3.6197 3.6197 10.2985 10.2985 10.3069 10.3069 10.6211 10.6211 10.7463 10.7463 11.3487 11.3487 k = 0.0000 0.0000 1.3445 ( 12120 PWs) bands (ev): -14.7517 -14.7517 -14.7517 -14.7517 -13.5001 -13.5001 -13.5001 -13.5001 -12.5619 -12.5619 -12.5619 -12.5619 -3.9543 -3.9543 -3.9543 -3.9543 -3.1404 -3.1404 -3.1404 -3.1404 -2.4222 -2.4222 -2.4222 -2.4222 -2.0138 -2.0138 -2.0138 -2.0138 -0.4194 -0.4194 -0.4194 -0.4194 1.4322 1.4322 1.4322 1.4322 2.9116 2.9116 2.9116 2.9116 3.0766 3.0766 3.0766 3.0766 3.6127 3.6127 3.6127 3.6127 10.3017 10.3017 10.3017 10.3017 10.6831 10.6831 10.6831 10.6831 11.3548 11.3548 k = 0.0000 0.0000 1.3445 ( 12120 PWs) bands (ev): -14.7517 -14.7517 -14.7517 -14.7517 -13.5001 -13.5001 -13.5001 -13.5001 -12.5619 -12.5619 -12.5619 -12.5619 -3.9543 -3.9543 -3.9543 -3.9543 -3.1404 -3.1404 -3.1404 -3.1404 -2.4222 -2.4222 -2.4222 -2.4222 -2.0138 -2.0138 -2.0138 -2.0138 -0.4194 -0.4194 -0.4194 -0.4194 1.4322 1.4322 1.4322 1.4322 2.9116 2.9116 2.9116 2.9116 3.0766 3.0766 3.0766 3.0766 3.6127 3.6127 3.6127 3.6127 10.3017 10.3017 10.3017 10.3017 10.6831 10.6831 10.6831 10.6831 11.3548 11.3548 k =-0.0080 0.0200 1.3445 ( 12118 PWs) bands (ev): -14.7517 -14.7517 -14.7517 -14.7517 -13.5005 -13.5005 -13.5005 -13.5005 -12.5614 -12.5614 -12.5614 -12.5614 -3.9565 -3.9565 -3.9516 -3.9516 -3.1418 -3.1418 -3.1383 -3.1383 -2.4375 -2.4375 -2.4059 -2.4059 -2.0293 -2.0293 -1.9975 -1.9975 -0.4216 -0.4216 -0.4205 -0.4205 1.4329 1.4329 1.4335 1.4335 2.9077 2.9077 2.9152 2.9152 3.0740 3.0740 3.0789 3.0789 3.6125 3.6125 3.6126 3.6126 10.3006 10.3006 10.3009 10.3009 10.6834 10.6834 10.6847 10.6847 11.3542 11.3542 k =-0.0160 0.0401 1.3445 ( 12100 PWs) bands (ev): -14.7520 -14.7520 -14.7520 -14.7520 -13.5018 -13.5018 -13.5017 -13.5017 -12.5599 -12.5599 -12.5599 -12.5599 -3.9583 -3.9583 -3.9484 -3.9484 -3.1426 -3.1426 -3.1354 -3.1354 -2.4516 -2.4516 -2.3888 -2.3888 -2.0442 -2.0442 -1.9807 -1.9807 -0.4269 -0.4269 -0.4247 -0.4247 1.4355 1.4355 1.4367 1.4367 2.9037 2.9037 2.9185 2.9185 3.0712 3.0712 3.0810 3.0810 3.6120 3.6120 3.6121 3.6121 10.2976 10.2976 10.2982 10.2982 10.6856 10.6856 10.6880 10.6880 11.3540 11.3540 k =-0.0241 0.0601 1.3445 ( 12096 PWs) bands (ev): -14.7523 -14.7523 -14.7523 -14.7523 -13.5038 -13.5038 -13.5038 -13.5038 -12.5575 -12.5575 -12.5575 -12.5575 -3.9595 -3.9595 -3.9446 -3.9446 -3.1430 -3.1430 -3.1318 -3.1318 -2.4644 -2.4644 -2.3710 -2.3710 -2.0581 -2.0581 -1.9634 -1.9634 -0.4354 -0.4354 -0.4321 -0.4321 1.4400 1.4400 1.4418 1.4418 2.8995 2.8995 2.9215 2.9215 3.0682 3.0682 3.0828 3.0828 3.6111 3.6111 3.6112 3.6112 10.2927 10.2927 10.2936 10.2936 10.6896 10.6896 10.6932 10.6932 11.3544 11.3544 k =-0.0321 0.0801 1.3445 ( 12100 PWs) bands (ev): -14.7529 -14.7529 -14.7529 -14.7529 -13.5066 -13.5066 -13.5066 -13.5066 -12.5542 -12.5542 -12.5542 -12.5542 -3.9603 -3.9603 -3.9403 -3.9403 -3.1430 -3.1430 -3.1274 -3.1274 -2.4758 -2.4758 -2.3528 -2.3528 -2.0710 -2.0710 -1.9457 -1.9457 -0.4469 -0.4469 -0.4426 -0.4426 1.4463 1.4463 1.4488 1.4488 2.8951 2.8951 2.9241 2.9241 3.0653 3.0653 3.0843 3.0843 3.6098 3.6098 3.6100 3.6100 10.2860 10.2860 10.2872 10.2872 10.6954 10.6954 10.7002 10.7002 11.3553 11.3553 k =-0.0401 0.1002 1.3445 ( 12104 PWs) bands (ev): -14.7536 -14.7536 -14.7536 -14.7536 -13.5102 -13.5102 -13.5102 -13.5102 -12.5499 -12.5499 -12.5499 -12.5499 -3.9606 -3.9606 -3.9355 -3.9355 -3.1428 -3.1428 -3.1220 -3.1220 -2.4855 -2.4855 -2.3344 -2.3344 -2.0825 -2.0825 -1.9276 -1.9276 -0.4613 -0.4613 -0.4560 -0.4560 1.4544 1.4544 1.4575 1.4575 2.8904 2.8904 2.9260 2.9260 3.0625 3.0625 3.0857 3.0857 3.6083 3.6083 3.6085 3.6085 10.2774 10.2774 10.2790 10.2790 10.7031 10.7031 10.7091 10.7091 11.3566 11.3566 k =-0.0401 0.1002 1.3445 ( 12104 PWs) bands (ev): -14.7536 -14.7536 -14.7536 -14.7536 -13.5102 -13.5102 -13.5102 -13.5102 -12.5499 -12.5499 -12.5499 -12.5499 -3.9606 -3.9606 -3.9355 -3.9355 -3.1428 -3.1428 -3.1220 -3.1220 -2.4855 -2.4855 -2.3344 -2.3344 -2.0825 -2.0825 -1.9276 -1.9276 -0.4613 -0.4613 -0.4560 -0.4560 1.4544 1.4544 1.4575 1.4575 2.8904 2.8904 2.9260 2.9260 3.0625 3.0625 3.0857 3.0857 3.6083 3.6083 3.6085 3.6085 10.2774 10.2774 10.2790 10.2790 10.7031 10.7031 10.7091 10.7091 11.3566 11.3566 k =-0.0471 0.1175 1.3258 ( 12098 PWs) bands (ev): -14.7552 -14.7552 -14.7535 -14.7535 -13.5294 -13.5294 -13.4983 -13.4983 -12.5646 -12.5646 -12.5263 -12.5263 -3.9621 -3.9621 -3.9286 -3.9286 -3.1443 -3.1443 -3.1140 -3.1140 -2.4932 -2.4932 -2.3188 -2.3188 -2.0915 -2.0915 -1.9108 -1.9108 -0.5055 -0.5055 -0.4403 -0.4403 1.4173 1.4173 1.5113 1.5113 2.8811 2.8811 2.9311 2.9311 3.0604 3.0604 3.0873 3.0873 3.6018 3.6018 3.6115 3.6115 10.2670 10.2670 10.2728 10.2728 10.6712 10.6712 10.7589 10.7589 11.3564 11.3564 k =-0.0541 0.1349 1.3071 ( 12105 PWs) bands (ev): -14.7570 -14.7570 -14.7537 -14.7537 -13.5489 -13.5489 -13.4869 -13.4869 -12.5786 -12.5786 -12.5021 -12.5021 -3.9650 -3.9650 -3.9184 -3.9184 -3.1468 -3.1468 -3.1028 -3.1028 -2.5002 -2.5002 -2.3035 -2.3035 -2.0996 -2.0996 -1.8925 -1.8925 -0.5542 -0.5542 -0.4234 -0.4234 1.3801 1.3801 1.5667 1.5667 2.8668 2.8668 2.9383 2.9383 3.0585 3.0585 3.0899 3.0899 3.5950 3.5950 3.6137 3.6137 10.2557 10.2557 10.2663 10.2663 10.6391 10.6391 10.8127 10.8127 11.3538 11.3538 k =-0.0610 0.1523 1.2883 ( 12104 PWs) bands (ev): -14.7590 -14.7590 -14.7541 -14.7541 -13.5687 -13.5687 -13.4762 -13.4762 -12.5918 -12.5918 -12.4774 -12.4774 -3.9678 -3.9678 -3.9064 -3.9064 -3.1488 -3.1488 -3.0901 -3.0901 -2.5066 -2.5066 -2.2889 -2.2889 -2.1064 -2.1064 -1.8730 -1.8730 -0.6048 -0.6048 -0.4077 -0.4077 1.3443 1.3443 1.6222 1.6222 2.8511 2.8511 2.9438 2.9438 3.0565 3.0565 3.0943 3.0943 3.5878 3.5878 3.6152 3.6152 10.2442 10.2442 10.2586 10.2586 10.6099 10.6099 10.8672 10.8672 11.3497 11.3497 k =-0.0680 0.1697 1.2696 ( 12104 PWs) bands (ev): -14.7612 -14.7612 -14.7548 -14.7548 -13.5888 -13.5888 -13.4659 -13.4659 -12.6042 -12.6042 -12.4522 -12.4522 -3.9700 -3.9700 -3.8932 -3.8932 -3.1497 -3.1497 -3.0765 -3.0765 -2.5119 -2.5119 -2.2752 -2.2752 -2.1115 -2.1115 -1.8524 -1.8524 -0.6575 -0.6575 -0.3931 -0.3931 1.3099 1.3099 1.6774 1.6774 2.8350 2.8350 2.9466 2.9466 3.0540 3.0540 3.1007 3.1007 3.5804 3.5804 3.6158 3.6158 10.2323 10.2323 10.2492 10.2492 10.5842 10.5842 10.9217 10.9217 11.3448 11.3448 k =-0.0750 0.1871 1.2508 ( 12098 PWs) bands (ev): -14.7635 -14.7635 -14.7558 -14.7558 -13.6089 -13.6089 -13.4562 -13.4562 -12.6159 -12.6159 -12.4267 -12.4267 -3.9714 -3.9714 -3.8789 -3.8789 -3.1497 -3.1497 -3.0623 -3.0623 -2.5161 -2.5161 -2.2624 -2.2624 -2.1149 -2.1149 -1.8312 -1.8312 -0.7119 -0.7119 -0.3796 -0.3796 1.2770 1.2770 1.7323 1.7323 2.8187 2.8187 2.9469 2.9469 3.0506 3.0506 3.1091 3.1091 3.5729 3.5729 3.6155 3.6155 10.2201 10.2201 10.2375 10.2375 10.5625 10.5625 10.9755 10.9755 11.3398 11.3398 k =-0.0819 0.2045 1.2321 ( 12088 PWs) bands (ev): -14.7660 -14.7660 -14.7569 -14.7569 -13.6291 -13.6291 -13.4471 -13.4471 -12.6268 -12.6268 -12.4010 -12.4010 -3.9719 -3.9719 -3.8639 -3.8639 -3.1487 -3.1487 -3.0476 -3.0476 -2.5189 -2.5189 -2.2507 -2.2507 -2.1162 -2.1162 -1.8094 -1.8094 -0.7681 -0.7681 -0.3670 -0.3670 1.2457 1.2457 1.7867 1.7867 2.8026 2.8026 2.9450 2.9450 3.0463 3.0463 3.1190 3.1190 3.5653 3.5653 3.6143 3.6143 10.2077 10.2077 10.2229 10.2229 10.5453 10.5453 11.0273 11.0273 11.3354 11.3354 k =-0.0889 0.2219 1.2134 ( 12100 PWs) bands (ev): -14.7686 -14.7686 -14.7582 -14.7582 -13.6493 -13.6493 -13.4385 -13.4385 -12.6372 -12.6372 -12.3751 -12.3751 -3.9714 -3.9714 -3.8481 -3.8481 -3.1468 -3.1468 -3.0324 -3.0324 -2.5201 -2.5201 -2.2404 -2.2404 -2.1153 -2.1153 -1.7873 -1.7873 -0.8258 -0.8258 -0.3555 -0.3555 1.2159 1.2159 1.8404 1.8404 2.7868 2.7868 2.9414 2.9414 3.0409 3.0409 3.1298 3.1298 3.5576 3.5576 3.6122 3.6122 10.1949 10.1949 10.2048 10.2048 10.5329 10.5329 11.0755 11.0755 11.3326 11.3326 k =-0.0959 0.2393 1.1946 ( 12104 PWs) bands (ev): -14.7713 -14.7713 -14.7598 -14.7598 -13.6693 -13.6693 -13.4303 -13.4303 -12.6468 -12.6468 -12.3492 -12.3492 -3.9701 -3.9701 -3.8319 -3.8319 -3.1442 -3.1442 -3.0169 -3.0169 -2.5196 -2.5196 -2.2313 -2.2313 -2.1122 -2.1122 -1.7651 -1.7651 -0.8850 -0.8850 -0.3449 -0.3449 1.1878 1.1878 1.8934 1.8934 2.7713 2.7713 2.9366 2.9366 3.0346 3.0346 3.1410 3.1410 3.5499 3.5499 3.6091 3.6091 10.1810 10.1810 10.1838 10.1838 10.5256 10.5256 11.1177 11.1177 11.3319 11.3319 k =-0.1028 0.2567 1.1759 ( 12104 PWs) bands (ev): -14.7742 -14.7742 -14.7615 -14.7615 -13.6892 -13.6892 -13.4227 -13.4227 -12.6559 -12.6559 -12.3232 -12.3232 -3.9677 -3.9677 -3.8152 -3.8152 -3.1411 -3.1411 -3.0010 -3.0010 -2.5174 -2.5174 -2.2235 -2.2235 -2.1070 -2.1070 -1.7430 -1.7430 -0.9453 -0.9453 -0.3352 -0.3352 1.1612 1.1612 1.9454 1.9454 2.7563 2.7563 2.9311 2.9311 3.0274 3.0274 3.1520 3.1520 3.5423 3.5423 3.6051 3.6051 10.1573 10.1573 10.1687 10.1687 10.5233 10.5233 11.1511 11.1511 11.3320 11.3320 k =-0.1098 0.2741 1.1572 ( 12104 PWs) bands (ev): -14.7771 -14.7771 -14.7633 -14.7633 -13.7088 -13.7088 -13.4155 -13.4155 -12.6643 -12.6643 -12.2974 -12.2974 -3.9644 -3.9644 -3.7982 -3.7982 -3.1374 -3.1374 -2.9848 -2.9848 -2.5132 -2.5132 -2.2167 -2.2167 -2.0999 -2.0999 -1.7213 -1.7213 -1.0065 -1.0065 -0.3264 -0.3264 1.1361 1.1361 1.9963 1.9963 2.7419 2.7419 2.9250 2.9250 3.0193 3.0193 3.1626 3.1626 3.5349 3.5349 3.6002 3.6002 10.1286 10.1286 10.1549 10.1549 10.5254 10.5254 11.1738 11.1738 11.3290 11.3290 k =-0.1168 0.2915 1.1384 ( 12106 PWs) bands (ev): -14.7801 -14.7801 -14.7653 -14.7653 -13.7281 -13.7281 -13.4088 -13.4088 -12.6722 -12.6722 -12.2718 -12.2718 -3.9602 -3.9602 -3.7812 -3.7812 -3.1335 -3.1335 -2.9682 -2.9682 -2.5070 -2.5070 -2.2106 -2.2106 -2.0913 -2.0913 -1.7004 -1.7004 -1.0683 -1.0683 -0.3184 -0.3184 1.1126 1.1126 2.0461 2.0461 2.7282 2.7282 2.9186 2.9186 3.0103 3.0103 3.1725 3.1725 3.5276 3.5276 3.5944 3.5944 10.0968 10.0968 10.1407 10.1407 10.5316 10.5316 11.1861 11.1861 11.3198 11.3199 k =-0.1237 0.3089 1.1197 ( 12111 PWs) bands (ev): -14.7831 -14.7831 -14.7674 -14.7674 -13.7470 -13.7470 -13.4025 -13.4025 -12.6796 -12.6796 -12.2466 -12.2466 -3.9551 -3.9551 -3.7641 -3.7641 -3.1292 -3.1292 -2.9513 -2.9513 -2.4990 -2.4990 -2.2049 -2.2049 -2.0814 -2.0814 -1.6805 -1.6805 -1.1302 -1.1302 -0.3113 -0.3113 1.0904 1.0904 2.0945 2.0945 2.7152 2.7152 2.9121 2.9121 3.0006 3.0006 3.1813 3.1813 3.5206 3.5206 3.5877 3.5877 10.0626 10.0626 10.1260 10.1260 10.5413 10.5413 11.1893 11.1893 11.3013 11.3014 k =-0.1307 0.3263 1.1009 ( 12109 PWs) bands (ev): -14.7862 -14.7862 -14.7695 -14.7695 -13.7654 -13.7654 -13.3966 -13.3966 -12.6865 -12.6865 -12.2217 -12.2217 -3.9490 -3.9490 -3.7473 -3.7473 -3.1247 -3.1247 -2.9341 -2.9341 -2.4891 -2.4891 -2.1993 -2.1993 -2.0707 -2.0707 -1.6622 -1.6622 -1.1916 -1.1916 -0.3049 -0.3049 1.0697 1.0697 2.1414 2.1414 2.7031 2.7031 2.9057 2.9057 2.9901 2.9901 3.1890 3.1890 3.5140 3.5140 3.5803 3.5803 10.0262 10.0262 10.1108 10.1108 10.5537 10.5537 11.1825 11.1825 11.2679 11.2679 k =-0.1377 0.3437 1.0822 ( 12105 PWs) bands (ev): -14.7892 -14.7892 -14.7718 -14.7718 -13.7834 -13.7834 -13.3912 -13.3912 -12.6929 -12.6929 -12.1974 -12.1974 -3.9421 -3.9421 -3.7308 -3.7308 -3.1200 -3.1200 -2.9165 -2.9165 -2.4775 -2.4775 -2.1936 -2.1936 -2.0595 -2.0595 -1.6465 -1.6465 -1.2516 -1.2516 -0.2994 -0.2994 1.0503 1.0503 2.1867 2.1867 2.6920 2.6920 2.8994 2.8994 2.9789 2.9789 3.1954 3.1954 3.5077 3.5077 3.5721 3.5721 9.9883 9.9883 10.0950 10.0950 10.5683 10.5683 11.1553 11.1553 11.2127 11.2127 k =-0.1446 0.3611 1.0635 ( 12103 PWs) bands (ev): -14.7923 -14.7923 -14.7740 -14.7740 -13.8007 -13.8007 -13.3861 -13.3861 -12.6989 -12.6989 -12.1737 -12.1737 -3.9345 -3.9345 -3.7147 -3.7147 -3.1150 -3.1150 -2.8986 -2.8986 -2.4644 -2.4644 -2.1875 -2.1875 -2.0481 -2.0481 -1.6346 -1.6346 -1.3087 -1.3087 -0.2946 -0.2946 1.0321 1.0321 2.2301 2.2301 2.6820 2.6820 2.8935 2.8935 2.9672 2.9672 3.2003 3.2003 3.5019 3.5019 3.5633 3.5633 9.9493 9.9493 10.0785 10.0785 10.5844 10.5844 11.0936 11.0936 11.1311 11.1311 k =-0.1516 0.3784 1.0447 ( 12094 PWs) bands (ev): -14.7953 -14.7953 -14.7764 -14.7764 -13.8174 -13.8174 -13.3813 -13.3813 -12.7044 -12.7044 -12.1507 -12.1507 -3.9261 -3.9261 -3.6992 -3.6992 -3.1095 -3.1095 -2.8805 -2.8805 -2.4499 -2.4499 -2.1811 -2.1811 -2.0367 -2.0367 -1.6290 -1.6290 -1.3601 -1.3601 -0.2905 -0.2905 1.0151 1.0151 2.2714 2.2714 2.6733 2.6733 2.8879 2.8879 2.9551 2.9551 3.2039 3.2039 3.4966 3.4966 3.5539 3.5539 9.9095 9.9095 10.0611 10.0611 10.6013 10.6013 11.0087 11.0087 11.0367 11.0367 k =-0.1586 0.3958 1.0260 ( 12091 PWs) bands (ev): -14.7983 -14.7983 -14.7787 -14.7787 -13.8334 -13.8334 -13.3770 -13.3770 -12.7095 -12.7095 -12.1285 -12.1285 -3.9171 -3.9171 -3.6845 -3.6845 -3.1036 -3.1036 -2.8623 -2.8623 -2.4342 -2.4342 -2.1741 -2.1741 -2.0255 -2.0255 -1.6338 -1.6338 -1.4018 -1.4018 -0.2871 -0.2871 0.9993 0.9993 2.3103 2.3103 2.6661 2.6661 2.8828 2.8828 2.9427 2.9427 3.2059 3.2059 3.4919 3.4919 3.5440 3.5440 9.8693 9.8693 10.0427 10.0427 10.6180 10.6180 10.9146 10.9146 10.9425 10.9425 k =-0.1655 0.4132 1.0073 ( 12089 PWs) bands (ev): -14.8012 -14.8012 -14.7810 -14.7810 -13.8486 -13.8486 -13.3729 -13.3729 -12.7142 -12.7142 -12.1071 -12.1071 -3.9076 -3.9076 -3.6706 -3.6706 -3.0970 -3.0970 -2.8440 -2.8440 -2.4176 -2.4176 -2.1667 -2.1667 -2.0147 -2.0147 -1.6532 -1.6532 -1.4293 -1.4293 -0.2843 -0.2843 0.9845 0.9845 2.3464 2.3464 2.6606 2.6606 2.8783 2.8783 2.9301 2.9301 3.2065 3.2065 3.4876 3.4876 3.5336 3.5336 9.8291 9.8291 10.0230 10.0230 10.6321 10.6321 10.8201 10.8201 10.8538 10.8538 k =-0.1725 0.4306 0.9885 ( 12086 PWs) bands (ev): -14.8040 -14.8040 -14.7832 -14.7832 -13.8631 -13.8631 -13.3692 -13.3692 -12.7186 -12.7186 -12.0867 -12.0867 -3.8977 -3.8977 -3.6576 -3.6576 -3.0896 -3.0896 -2.8259 -2.8259 -2.4002 -2.4002 -2.1591 -2.1591 -2.0044 -2.0044 -1.6876 -1.6876 -1.4419 -1.4419 -0.2821 -0.2821 0.9707 0.9707 2.3795 2.3795 2.6569 2.6569 2.8743 2.8743 2.9177 2.9177 3.2057 3.2057 3.4839 3.4839 3.5230 3.5230 9.7892 9.7892 10.0021 10.0021 10.6340 10.6340 10.7392 10.7392 10.7718 10.7718 k =-0.1795 0.4480 0.9698 ( 12100 PWs) bands (ev): -14.8067 -14.8067 -14.7854 -14.7854 -13.8768 -13.8768 -13.3658 -13.3658 -12.7226 -12.7226 -12.0674 -12.0674 -3.8876 -3.8876 -3.6456 -3.6456 -3.0814 -3.0814 -2.8081 -2.8081 -2.3823 -2.3823 -2.1513 -2.1513 -1.9948 -1.9948 -1.7323 -1.7323 -1.4439 -1.4439 -0.2805 -0.2805 0.9579 0.9579 2.4091 2.4091 2.6552 2.6552 2.8709 2.8709 2.9058 2.9058 3.2036 3.2036 3.4807 3.4807 3.5121 3.5121 9.7500 9.7500 9.9796 9.9796 10.5910 10.5910 10.6944 10.6944 10.7096 10.7096 k =-0.1864 0.4654 0.9511 ( 12098 PWs) bands (ev): -14.8093 -14.8093 -14.7875 -14.7875 -13.8896 -13.8896 -13.3627 -13.3627 -12.7262 -12.7262 -12.0491 -12.0491 -3.8773 -3.8773 -3.6347 -3.6347 -3.0722 -3.0722 -2.7906 -2.7906 -2.3641 -2.3641 -2.1437 -2.1437 -1.9862 -1.9862 -1.7822 -1.7822 -1.4399 -1.4399 -0.2793 -0.2793 0.9460 0.9460 2.4348 2.4348 2.6556 2.6556 2.8681 2.8681 2.8947 2.8947 3.2003 3.2003 3.4780 3.4780 3.5012 3.5012 9.7118 9.7118 9.9556 9.9556 10.5154 10.5154 10.6284 10.6284 10.7136 10.7136 k =-0.1934 0.4828 0.9323 ( 12098 PWs) bands (ev): -14.8117 -14.8117 -14.7895 -14.7895 -13.9015 -13.9015 -13.3599 -13.3599 -12.7295 -12.7295 -12.0321 -12.0321 -3.8671 -3.8671 -3.6247 -3.6247 -3.0620 -3.0620 -2.7736 -2.7736 -2.3458 -2.3458 -2.1367 -2.1367 -1.9787 -1.9787 -1.8332 -1.8332 -1.4331 -1.4331 -0.2786 -0.2786 0.9351 0.9351 2.4564 2.4564 2.6579 2.6579 2.8657 2.8657 2.8851 2.8851 3.1960 3.1960 3.4755 3.4755 3.4903 3.4903 9.6750 9.6750 9.9303 9.9303 10.4377 10.4377 10.5690 10.5690 10.7262 10.7262 k =-0.2004 0.5002 0.9136 ( 12092 PWs) bands (ev): -14.8140 -14.8140 -14.7914 -14.7914 -13.9124 -13.9124 -13.3574 -13.3574 -12.7325 -12.7325 -12.0163 -12.0163 -3.8570 -3.8570 -3.6159 -3.6159 -3.0509 -3.0509 -2.7572 -2.7572 -2.3278 -2.3278 -2.1312 -2.1312 -1.9731 -1.9731 -1.8820 -1.8820 -1.4252 -1.4252 -0.2782 -0.2782 0.9250 0.9250 2.4740 2.4740 2.6615 2.6615 2.8636 2.8636 2.8774 2.8774 3.1910 3.1910 3.4730 3.4730 3.4800 3.4800 9.6398 9.6398 9.9039 9.9039 10.3645 10.3645 10.5174 10.5174 10.7398 10.7398 k =-0.2074 0.5176 0.8948 ( 12090 PWs) bands (ev): -14.8161 -14.8161 -14.7932 -14.7932 -13.9224 -13.9224 -13.3551 -13.3551 -12.7352 -12.7352 -12.0018 -12.0018 -3.8474 -3.8474 -3.6080 -3.6080 -3.0389 -3.0389 -2.7415 -2.7415 -2.3104 -2.3104 -2.1283 -2.1283 -1.9732 -1.9732 -1.9227 -1.9227 -1.4171 -1.4171 -0.2781 -0.2781 0.9158 0.9158 2.4880 2.4880 2.6657 2.6657 2.8616 2.8616 2.8725 2.8725 3.1854 3.1854 3.4671 3.4671 3.4737 3.4737 9.6067 9.6067 9.8769 9.8769 10.2975 10.2975 10.4735 10.4735 10.7529 10.7529 k =-0.2143 0.5350 0.8761 ( 12089 PWs) bands (ev): -14.8180 -14.8180 -14.7949 -14.7949 -13.9315 -13.9315 -13.3531 -13.3531 -12.7376 -12.7376 -11.9887 -11.9887 -3.8382 -3.8382 -3.6011 -3.6011 -3.0262 -3.0262 -2.7265 -2.7265 -2.2943 -2.2943 -2.1298 -2.1298 -1.9902 -1.9902 -1.9409 -1.9409 -1.4094 -1.4094 -0.2782 -0.2782 0.9075 0.9075 2.4989 2.4989 2.6694 2.6694 2.8601 2.8601 2.8702 2.8702 3.1794 3.1794 3.4575 3.4575 3.4717 3.4717 9.5760 9.5760 9.8501 9.8501 10.2372 10.2372 10.4366 10.4366 10.7648 10.7648 k =-0.2213 0.5524 0.8574 ( 12089 PWs) bands (ev): -14.8198 -14.8198 -14.7963 -14.7963 -13.9395 -13.9395 -13.3513 -13.3513 -12.7396 -12.7396 -11.9770 -11.9770 -3.8297 -3.8297 -3.5952 -3.5952 -3.0132 -3.0132 -2.7123 -2.7123 -2.2804 -2.2804 -2.1377 -2.1377 -2.0160 -2.0160 -1.9415 -1.9415 -1.4024 -1.4024 -0.2785 -0.2785 0.9001 0.9001 2.5074 2.5074 2.6717 2.6717 2.8599 2.8599 2.8699 2.8699 3.1734 3.1734 3.4479 3.4479 3.4705 3.4705 9.5479 9.5479 9.8241 9.8241 10.1839 10.1839 10.4063 10.4063 10.7755 10.7755 k =-0.2283 0.5698 0.8386 ( 12096 PWs) bands (ev): -14.8213 -14.8213 -14.7976 -14.7976 -13.9464 -13.9464 -13.3498 -13.3498 -12.7414 -12.7414 -11.9667 -11.9667 -3.8221 -3.8221 -3.5902 -3.5902 -3.0001 -3.0001 -2.6988 -2.6988 -2.2706 -2.2706 -2.1520 -2.1520 -2.0347 -2.0347 -1.9384 -1.9384 -1.3962 -1.3962 -0.2789 -0.2789 0.8936 0.8936 2.5142 2.5142 2.6722 2.6722 2.8612 2.8612 2.8708 2.8708 3.1674 3.1674 3.4390 3.4390 3.4696 3.4696 9.5228 9.5228 9.7998 9.7998 10.1377 10.1377 10.3817 10.3817 10.7848 10.7848 k =-0.2352 0.5872 0.8199 ( 12101 PWs) bands (ev): -14.8226 -14.8226 -14.7988 -14.7988 -13.9524 -13.9524 -13.3485 -13.3485 -12.7429 -12.7429 -11.9580 -11.9580 -3.8154 -3.8154 -3.5861 -3.5861 -2.9876 -2.9876 -2.6862 -2.6862 -2.2683 -2.2683 -2.1666 -2.1666 -2.0453 -2.0453 -1.9347 -1.9347 -1.3908 -1.3908 -0.2794 -0.2794 0.8881 0.8881 2.5196 2.5196 2.6711 2.6711 2.8634 2.8634 2.8730 2.8730 3.1618 3.1618 3.4309 3.4309 3.4688 3.4688 9.5011 9.5011 9.7779 9.7779 10.0987 10.0987 10.3621 10.3621 10.7926 10.7926 k =-0.2422 0.6046 0.8012 ( 12110 PWs) bands (ev): -14.8237 -14.8237 -14.7997 -14.7997 -13.9573 -13.9573 -13.3475 -13.3475 -12.7442 -12.7442 -11.9508 -11.9508 -3.8098 -3.8098 -3.5827 -3.5827 -2.9761 -2.9761 -2.6746 -2.6746 -2.2761 -2.2761 -2.1742 -2.1742 -2.0512 -2.0512 -1.9313 -1.9313 -1.3865 -1.3865 -0.2798 -0.2798 0.8835 0.8835 2.5240 2.5240 2.6688 2.6688 2.8656 2.8656 2.8762 2.8762 3.1569 3.1569 3.4240 3.4240 3.4683 3.4683 9.4828 9.4828 9.7591 9.7591 10.0668 10.0668 10.3469 10.3469 10.7989 10.7989 k =-0.2492 0.6219 0.7824 ( 12104 PWs) bands (ev): -14.8245 -14.8245 -14.8004 -14.8004 -13.9611 -13.9611 -13.3467 -13.3467 -12.7451 -12.7451 -11.9452 -11.9452 -3.8053 -3.8053 -3.5802 -3.5802 -2.9662 -2.9662 -2.6645 -2.6645 -2.2912 -2.2912 -2.1741 -2.1741 -2.0549 -2.0549 -1.9283 -1.9283 -1.3831 -1.3831 -0.2802 -0.2802 0.8799 0.8799 2.5276 2.5276 2.6660 2.6660 2.8673 2.8673 2.8800 2.8800 3.1528 3.1528 3.4183 3.4183 3.4679 3.4679 9.4684 9.4684 9.7439 9.7439 10.0421 10.0421 10.3357 10.3357 10.8038 10.8038 k =-0.2561 0.6393 0.7637 ( 12112 PWs) bands (ev): -14.8251 -14.8251 -14.8009 -14.8009 -13.9638 -13.9638 -13.3461 -13.3461 -12.7458 -12.7458 -11.9411 -11.9411 -3.8021 -3.8021 -3.5783 -3.5783 -2.9586 -2.9586 -2.6563 -2.6563 -2.3067 -2.3067 -2.1707 -2.1707 -2.0575 -2.0575 -1.9261 -1.9261 -1.3807 -1.3807 -0.2805 -0.2805 0.8774 0.8774 2.5302 2.5302 2.6635 2.6635 2.8685 2.8685 2.8834 2.8834 3.1497 3.1497 3.4141 3.4141 3.4676 3.4676 9.4579 9.4579 9.7328 9.7328 10.0244 10.0244 10.3279 10.3279 10.8073 10.8073 k =-0.2631 0.6567 0.7449 ( 12112 PWs) bands (ev): -14.8255 -14.8255 -14.8013 -14.8013 -13.9654 -13.9654 -13.3458 -13.3458 -12.7462 -12.7462 -11.9387 -11.9387 -3.8001 -3.8001 -3.5773 -3.5773 -2.9538 -2.9538 -2.6510 -2.6510 -2.3178 -2.3178 -2.1675 -2.1675 -2.0592 -2.0592 -1.9246 -1.9246 -1.3793 -1.3793 -0.2807 -0.2807 0.8758 0.8758 2.5318 2.5318 2.6617 2.6617 2.8692 2.8692 2.8858 2.8858 3.1478 3.1478 3.4115 3.4115 3.4674 3.4674 9.4516 9.4516 9.7260 9.7260 10.0138 10.0138 10.3234 10.3234 10.8094 10.8094 k =-0.2701 0.6741 0.7262 ( 12118 PWs) bands (ev): -14.8256 -14.8256 -14.8014 -14.8014 -13.9660 -13.9660 -13.3457 -13.3457 -12.7463 -12.7463 -11.9379 -11.9379 -3.7994 -3.7994 -3.5769 -3.5769 -2.9522 -2.9522 -2.6491 -2.6491 -2.3218 -2.3218 -2.1662 -2.1662 -2.0598 -2.0598 -1.9241 -1.9241 -1.3788 -1.3788 -0.2808 -0.2808 0.8753 0.8753 2.5324 2.5324 2.6610 2.6610 2.8694 2.8694 2.8866 2.8866 3.1471 3.1471 3.4106 3.4106 3.4673 3.4673 9.4495 9.4495 9.7237 9.7237 10.0103 10.0103 10.3219 10.3219 10.8101 10.8101 k =-0.2701 0.6741 0.7262 ( 12118 PWs) bands (ev): -14.8256 -14.8256 -14.8014 -14.8014 -13.9660 -13.9660 -13.3457 -13.3457 -12.7463 -12.7463 -11.9379 -11.9379 -3.7994 -3.7994 -3.5769 -3.5769 -2.9522 -2.9522 -2.6491 -2.6491 -2.3218 -2.3218 -2.1662 -2.1662 -2.0598 -2.0598 -1.9241 -1.9241 -1.3788 -1.3788 -0.2808 -0.2808 0.8753 0.8753 2.5324 2.5324 2.6610 2.6610 2.8694 2.8694 2.8866 2.8866 3.1471 3.1471 3.4106 3.4106 3.4673 3.4673 9.4495 9.4495 9.7237 9.7237 10.0103 10.0103 10.3219 10.3219 10.8101 10.8101 k =-0.2631 0.6568 0.7076 ( 12118 PWs) bands (ev): -14.8264 -14.8264 -14.7972 -14.7972 -13.9705 -13.9705 -13.3231 -13.3231 -12.7762 -12.7762 -11.9302 -11.9302 -3.7987 -3.7987 -3.5780 -3.5780 -2.9457 -2.9457 -2.6569 -2.6569 -2.3130 -2.3130 -2.1700 -2.1700 -2.0734 -2.0734 -1.9264 -1.9264 -1.3929 -1.3929 -0.2212 -0.2212 0.8323 0.8323 2.5267 2.5267 2.6509 2.6509 2.8869 2.8869 2.9091 2.9091 3.1471 3.1471 3.3993 3.3993 3.4523 3.4523 9.4342 9.4342 9.7229 9.7229 10.0373 10.0373 10.3378 10.3378 10.8043 10.8043 k =-0.2562 0.6396 0.6890 ( 12120 PWs) bands (ev): -14.8284 -14.8284 -14.7936 -14.7936 -13.9740 -13.9740 -13.3002 -13.3002 -12.8058 -12.8058 -11.9220 -11.9220 -3.7971 -3.7971 -3.5788 -3.5788 -2.9382 -2.9382 -2.6644 -2.6644 -2.3066 -2.3066 -2.1736 -2.1736 -2.0854 -2.0854 -1.9281 -1.9281 -1.4077 -1.4077 -0.1612 -0.1612 0.7894 0.7894 2.5210 2.5210 2.6418 2.6418 2.9050 2.9050 2.9311 2.9311 3.1479 3.1479 3.3881 3.3881 3.4372 3.4372 9.4227 9.4227 9.7218 9.7218 10.0608 10.0608 10.3520 10.3520 10.7947 10.7947 k =-0.2493 0.6223 0.6703 ( 12110 PWs) bands (ev): -14.8315 -14.8315 -14.7905 -14.7905 -13.9766 -13.9766 -13.2769 -13.2769 -12.8350 -12.8350 -11.9136 -11.9136 -3.7946 -3.7946 -3.5793 -3.5793 -2.9295 -2.9295 -2.6714 -2.6714 -2.3038 -2.3038 -2.1767 -2.1767 -2.0947 -2.0947 -1.9293 -1.9293 -1.4233 -1.4233 -0.1007 -0.1007 0.7466 0.7466 2.5153 2.5153 2.6337 2.6337 2.9237 2.9237 2.9522 2.9522 3.1493 3.1493 3.3771 3.3771 3.4223 3.4223 9.4147 9.4147 9.7205 9.7205 10.0799 10.0799 10.3648 10.3648 10.7823 10.7823 k =-0.2424 0.6050 0.6517 ( 12122 PWs) bands (ev): -14.8358 -14.8358 -14.7879 -14.7879 -13.9781 -13.9781 -13.2533 -13.2533 -12.8639 -12.8639 -11.9048 -11.9048 -3.7915 -3.7915 -3.5794 -3.5794 -2.9199 -2.9199 -2.6776 -2.6776 -2.3055 -2.3055 -2.1802 -2.1802 -2.1001 -2.1001 -1.9299 -1.9299 -1.4395 -1.4395 -0.0398 -0.0398 0.7036 0.7036 2.5097 2.5097 2.6268 2.6268 2.9430 2.9430 2.9725 2.9725 3.1514 3.1514 3.3662 3.3662 3.4076 3.4076 9.4104 9.4104 9.7193 9.7193 10.0934 10.0934 10.3764 10.3764 10.7684 10.7684 k =-0.2354 0.5877 0.6331 ( 12116 PWs) bands (ev): -14.8412 -14.8412 -14.7857 -14.7857 -13.9786 -13.9786 -13.2295 -13.2295 -12.8923 -12.8923 -11.8956 -11.8956 -3.7876 -3.7876 -3.5791 -3.5791 -2.9095 -2.9095 -2.6827 -2.6827 -2.3115 -2.3115 -2.1854 -2.1854 -2.1003 -2.1003 -1.9300 -1.9300 -1.4562 -1.4562 0.0214 0.0214 0.6604 0.6604 2.5043 2.5043 2.6208 2.6208 2.9628 2.9628 2.9918 2.9918 3.1540 3.1540 3.3556 3.3556 3.3935 3.3935 9.4095 9.4095 9.7181 9.7181 10.1002 10.1002 10.3870 10.3870 10.7543 10.7543 k =-0.2285 0.5704 0.6145 ( 12114 PWs) bands (ev): -14.8476 -14.8476 -14.7841 -14.7841 -13.9782 -13.9782 -13.2055 -13.2055 -12.9202 -12.9202 -11.8861 -11.8861 -3.7831 -3.7831 -3.5784 -3.5784 -2.8983 -2.8983 -2.6863 -2.6863 -2.3213 -2.3213 -2.1934 -2.1934 -2.0951 -2.0951 -1.9294 -1.9294 -1.4732 -1.4732 0.0828 0.0828 0.6169 0.6169 2.4991 2.4991 2.6159 2.6159 2.9833 2.9833 3.0101 3.0101 3.1571 3.1571 3.3452 3.3452 3.3800 3.3800 9.4120 9.4120 9.7169 9.7169 10.0991 10.0991 10.3969 10.3969 10.7411 10.7411 k =-0.2216 0.5531 0.5959 ( 12122 PWs) bands (ev): -14.8551 -14.8551 -14.7829 -14.7829 -13.9769 -13.9769 -13.1814 -13.1814 -12.9476 -12.9476 -11.8762 -11.8762 -3.7780 -3.7780 -3.5773 -3.5773 -2.8867 -2.8867 -2.6883 -2.6883 -2.3339 -2.3339 -2.2040 -2.2040 -2.0857 -2.0857 -1.9281 -1.9281 -1.4906 -1.4906 0.1442 0.1442 0.5731 0.5731 2.4942 2.4942 2.6120 2.6120 3.0042 3.0042 3.0274 3.0274 3.1606 3.1606 3.3351 3.3351 3.3673 3.3673 9.4177 9.4177 9.7157 9.7157 10.0892 10.0892 10.4064 10.4064 10.7297 10.7297 k =-0.2147 0.5358 0.5772 ( 12112 PWs) bands (ev): -14.8636 -14.8636 -14.7822 -14.7822 -13.9747 -13.9747 -13.1572 -13.1572 -12.9744 -12.9744 -11.8659 -11.8659 -3.7725 -3.7725 -3.5758 -3.5758 -2.8749 -2.8749 -2.6881 -2.6881 -2.3484 -2.3484 -2.2167 -2.2167 -2.0738 -2.0738 -1.9258 -1.9258 -1.5083 -1.5083 0.2056 0.2056 0.5288 0.5288 2.4897 2.4897 2.6091 2.6091 3.0254 3.0254 3.0438 3.0438 3.1643 3.1643 3.3253 3.3253 3.3557 3.3557 9.4262 9.4262 9.7143 9.7143 10.0698 10.0698 10.4158 10.4158 10.7205 10.7205 k =-0.2077 0.5186 0.5586 ( 12102 PWs) bands (ev): -14.8729 -14.8729 -14.7819 -14.7819 -13.9717 -13.9717 -13.1331 -13.1331 -13.0005 -13.0005 -11.8554 -11.8554 -3.7665 -3.7665 -3.5738 -3.5738 -2.8632 -2.8632 -2.6854 -2.6854 -2.3644 -2.3644 -2.2310 -2.2310 -2.0608 -2.0608 -1.9222 -1.9222 -1.5261 -1.5261 0.2667 0.2667 0.4842 0.4842 2.4856 2.4856 2.6071 2.6071 3.0466 3.0466 3.0595 3.0595 3.1678 3.1678 3.3159 3.3159 3.3456 3.3456 9.4374 9.4374 9.7127 9.7127 10.0412 10.0412 10.4252 10.4252 10.7131 10.7131 k =-0.2008 0.5013 0.5400 ( 12102 PWs) bands (ev): -14.8830 -14.8830 -14.7820 -14.7820 -13.9679 -13.9679 -13.1092 -13.1092 -13.0260 -13.0260 -11.8444 -11.8444 -3.7603 -3.7603 -3.5714 -3.5714 -2.8519 -2.8519 -2.6797 -2.6797 -2.3812 -2.3812 -2.2464 -2.2464 -2.0479 -2.0479 -1.9171 -1.9171 -1.5439 -1.5439 0.3265 0.3265 0.4401 0.4401 2.4820 2.4820 2.6059 2.6059 3.0664 3.0664 3.0760 3.0760 3.1711 3.1711 3.3068 3.3068 3.3371 3.3371 9.4510 9.4510 9.7107 9.7107 10.0037 10.0037 10.4347 10.4347 10.7068 10.7068 k =-0.1939 0.4840 0.5214 ( 12090 PWs) bands (ev): -14.8939 -14.8939 -14.7825 -14.7825 -13.9636 -13.9636 -13.0854 -13.0854 -13.0509 -13.0509 -11.8332 -11.8332 -3.7540 -3.7540 -3.5686 -3.5686 -2.8414 -2.8414 -2.6708 -2.6708 -2.3984 -2.3984 -2.2628 -2.2628 -2.0359 -2.0359 -1.9101 -1.9101 -1.5618 -1.5618 0.3712 0.3712 0.4100 0.4100 2.4790 2.4790 2.6055 2.6055 3.0821 3.0821 3.0959 3.0959 3.1736 3.1736 3.2982 3.2982 3.3308 3.3308 9.4663 9.4663 9.7080 9.7080 9.9583 9.9583 10.4444 10.4444 10.7000 10.7000 k =-0.1870 0.4667 0.5028 ( 12096 PWs) bands (ev): -14.9053 -14.9053 -14.7834 -14.7834 -13.9587 -13.9587 -13.0750 -13.0750 -13.0619 -13.0619 -11.8217 -11.8217 -3.7476 -3.7476 -3.5653 -3.5653 -2.8319 -2.8319 -2.6582 -2.6582 -2.4159 -2.4159 -2.2799 -2.2799 -2.0255 -2.0255 -1.9009 -1.9009 -1.5796 -1.5796 0.3394 0.3394 0.4551 0.4551 2.4766 2.4766 2.6058 2.6058 3.0947 3.0947 3.1180 3.1180 3.1751 3.1751 3.2900 3.2900 3.3268 3.3268 9.4830 9.4830 9.7047 9.7047 9.9061 9.9061 10.4540 10.4540 10.6911 10.6911 k =-0.1800 0.4494 0.4841 ( 12096 PWs) bands (ev): -14.9172 -14.9172 -14.7846 -14.7846 -13.9534 -13.9534 -13.0983 -13.0983 -13.0387 -13.0387 -11.8099 -11.8099 -3.7412 -3.7412 -3.5616 -3.5616 -2.8234 -2.8234 -2.6420 -2.6420 -2.4334 -2.4334 -2.2977 -2.2977 -2.0171 -2.0171 -1.8896 -1.8896 -1.5973 -1.5973 0.2928 0.2928 0.5135 0.5135 2.4750 2.4750 2.6068 2.6068 3.1058 3.1058 3.1408 3.1408 3.1753 3.1753 3.2823 3.2823 3.3255 3.3255 9.5004 9.5004 9.7004 9.7004 9.8482 9.8482 10.4633 10.4633 10.6783 10.6783 k =-0.1731 0.4321 0.4655 ( 12104 PWs) bands (ev): -14.9295 -14.9295 -14.7862 -14.7862 -13.9477 -13.9477 -13.1208 -13.1208 -13.0160 -13.0160 -11.7979 -11.7979 -3.7349 -3.7349 -3.5575 -3.5575 -2.8158 -2.8158 -2.6223 -2.6223 -2.4508 -2.4508 -2.3160 -2.3160 -2.0106 -2.0106 -1.8763 -1.8763 -1.6148 -1.6148 0.2444 0.2444 0.5723 0.5723 2.4741 2.4741 2.6084 2.6084 3.1158 3.1158 3.1637 3.1637 3.1744 3.1744 3.2751 3.2751 3.3269 3.3269 9.5174 9.5174 9.6951 9.6951 9.7858 9.7858 10.4717 10.4717 10.6597 10.6597 k =-0.1662 0.4148 0.4469 ( 12092 PWs) bands (ev): -14.9421 -14.9421 -14.7880 -14.7880 -13.9417 -13.9417 -13.1426 -13.1426 -12.9937 -12.9937 -11.7856 -11.7856 -3.7289 -3.7289 -3.5530 -3.5530 -2.8088 -2.8088 -2.5994 -2.5994 -2.4678 -2.4678 -2.3347 -2.3347 -2.0059 -2.0059 -1.8614 -1.8614 -1.6319 -1.6319 0.1948 0.1948 0.6304 0.6304 2.4742 2.4742 2.6105 2.6105 3.1248 3.1248 3.1712 3.1712 3.1878 3.1878 3.2684 3.2684 3.3309 3.3309 9.5327 9.5327 9.6885 9.6885 9.7207 9.7207 10.4782 10.4782 10.6340 10.6340 k =-0.1593 0.3976 0.4283 ( 12106 PWs) bands (ev): -14.9550 -14.9550 -14.7901 -14.7901 -13.9355 -13.9355 -13.1634 -13.1634 -12.9720 -12.9720 -11.7731 -11.7731 -3.7231 -3.7231 -3.5482 -3.5482 -2.8024 -2.8024 -2.5738 -2.5738 -2.4843 -2.4843 -2.3536 -2.3536 -2.0026 -2.0026 -1.8454 -1.8454 -1.6485 -1.6485 0.1442 0.1442 0.6874 0.6874 2.4751 2.4751 2.6130 2.6130 3.1330 3.1330 3.1678 3.1678 3.2111 3.2111 3.2624 3.2624 3.3372 3.3372 9.5424 9.5424 9.6563 9.6563 9.6808 9.6808 10.4817 10.4817 10.6006 10.6006 k =-0.1523 0.3803 0.4097 ( 12098 PWs) bands (ev): -14.9679 -14.9679 -14.7923 -14.7923 -13.9293 -13.9293 -13.1834 -13.1834 -12.9509 -12.9509 -11.7605 -11.7605 -3.7177 -3.7177 -3.5430 -3.5430 -2.7961 -2.7961 -2.5465 -2.5465 -2.4992 -2.4992 -2.3727 -2.3727 -2.0004 -2.0004 -1.8289 -1.8289 -1.6646 -1.6646 0.0927 0.0927 0.7432 0.7432 2.4770 2.4770 2.6158 2.6158 3.1403 3.1403 3.1635 3.1635 3.2344 3.2344 3.2569 3.2569 3.3455 3.3455 9.5306 9.5306 9.6086 9.6086 9.6714 9.6714 10.4802 10.4802 10.5599 10.5599 k =-0.1454 0.3630 0.3910 ( 12102 PWs) bands (ev): -14.9808 -14.9808 -14.7948 -14.7948 -13.9229 -13.9229 -13.2025 -13.2025 -12.9304 -12.9304 -11.7478 -11.7478 -3.7128 -3.7128 -3.5375 -3.5375 -2.7899 -2.7899 -2.5277 -2.5277 -2.5027 -2.5027 -2.3918 -2.3918 -1.9991 -1.9991 -1.8124 -1.8124 -1.6797 -1.6797 0.0403 0.0403 0.7974 0.7974 2.4800 2.4800 2.6190 2.6190 3.1470 3.1470 3.1586 3.1586 3.2520 3.2520 3.2576 3.2576 3.3553 3.3553 9.4769 9.4769 9.5970 9.5970 9.6603 9.6603 10.4706 10.4706 10.5151 10.5151 k =-0.1385 0.3457 0.3724 ( 12094 PWs) bands (ev): -14.9937 -14.9937 -14.7974 -14.7974 -13.9167 -13.9167 -13.2207 -13.2207 -12.9107 -12.9107 -11.7351 -11.7351 -3.7083 -3.7083 -3.5317 -3.5317 -2.7836 -2.7836 -2.5368 -2.5368 -2.4757 -2.4757 -2.4108 -2.4108 -1.9984 -1.9984 -1.7966 -1.7966 -1.6934 -1.6934 -0.0128 -0.0128 0.8500 0.8500 2.4840 2.4840 2.6223 2.6223 3.1529 3.1529 3.1536 3.1536 3.2477 3.2477 3.2806 3.2806 3.3664 3.3664 9.4054 9.4054 9.5969 9.5969 9.6475 9.6475 10.4439 10.4439 10.4760 10.4760 k =-0.1316 0.3284 0.3538 ( 12088 PWs) bands (ev): -15.0064 -15.0064 -14.8001 -14.8001 -13.9105 -13.9105 -13.2379 -13.2379 -12.8917 -12.8917 -11.7223 -11.7223 -3.7043 -3.7043 -3.5257 -3.5257 -2.7771 -2.7771 -2.5508 -2.5508 -2.4415 -2.4415 -2.4294 -2.4294 -1.9982 -1.9982 -1.7828 -1.7828 -1.7045 -1.7045 -0.0668 -0.0668 0.9006 0.9006 2.4890 2.4890 2.6258 2.6258 3.1482 3.1482 3.1587 3.1587 3.2440 3.2440 3.3032 3.3032 3.3784 3.3784 9.3292 9.3292 9.5943 9.5943 9.6327 9.6327 10.3980 10.3980 10.4462 10.4462 k =-0.1246 0.3111 0.3352 ( 12080 PWs) bands (ev): -15.0189 -15.0189 -14.8029 -14.8029 -13.9045 -13.9045 -13.2542 -13.2542 -12.8736 -12.8736 -11.7097 -11.7097 -3.7007 -3.7007 -3.5194 -3.5194 -2.7706 -2.7706 -2.5651 -2.5651 -2.4483 -2.4483 -2.4040 -2.4040 -1.9984 -1.9984 -1.7735 -1.7735 -1.7106 -1.7106 -0.1214 -0.1214 0.9490 0.9490 2.4951 2.4951 2.6294 2.6294 3.1430 3.1430 3.1640 3.1640 3.2409 3.2409 3.3255 3.3255 3.3911 3.3911 9.2511 9.2511 9.5856 9.5856 9.6159 9.6159 10.3487 10.3487 10.4126 10.4126 k =-0.1177 0.2939 0.3166 ( 12084 PWs) bands (ev): -15.0311 -15.0311 -14.8058 -14.8058 -13.8986 -13.8986 -13.2695 -13.2695 -12.8563 -12.8563 -11.6971 -11.6971 -3.6977 -3.6977 -3.5131 -3.5131 -2.7638 -2.7638 -2.5790 -2.5790 -2.4663 -2.4663 -2.3654 -2.3654 -1.9989 -1.9989 -1.7719 -1.7719 -1.7085 -1.7085 -0.1767 -0.1767 0.9952 0.9952 2.5021 2.5021 2.6331 2.6331 3.1380 3.1380 3.1689 3.1689 3.2384 3.2384 3.3472 3.3472 3.4043 3.4043 9.1724 9.1724 9.5695 9.5695 9.5967 9.5967 10.3025 10.3025 10.3720 10.3720 k =-0.1108 0.2766 0.2979 ( 12070 PWs) bands (ev): -15.0429 -15.0429 -14.8086 -14.8086 -13.8931 -13.8931 -13.2839 -13.2839 -12.8399 -12.8399 -11.6847 -11.6847 -3.6951 -3.6951 -3.5066 -3.5066 -2.7570 -2.7570 -2.5926 -2.5926 -2.4837 -2.4837 -2.3254 -2.3254 -1.9996 -1.9996 -1.7771 -1.7771 -1.6990 -1.6990 -0.2326 -0.2326 1.0388 1.0388 2.5100 2.5100 2.6368 2.6368 3.1332 3.1332 3.1737 3.1737 3.2365 3.2365 3.3683 3.3683 3.4177 3.4177 9.0936 9.0936 9.5454 9.5454 9.5752 9.5752 10.2619 10.2619 10.3256 10.3256 k =-0.1039 0.2593 0.2793 ( 12077 PWs) bands (ev): -15.0543 -15.0543 -14.8115 -14.8115 -13.8878 -13.8878 -13.2973 -13.2973 -12.8245 -12.8245 -11.6726 -11.6726 -3.6930 -3.6930 -3.5000 -3.5000 -2.7502 -2.7502 -2.6056 -2.6056 -2.5003 -2.5003 -2.2843 -2.2843 -2.0003 -2.0003 -1.7857 -1.7857 -1.6854 -1.6854 -0.2889 -0.2889 1.0798 1.0798 2.5187 2.5187 2.6405 2.6405 3.1287 3.1287 3.1783 3.1783 3.2350 3.2350 3.3888 3.3888 3.4312 3.4312 9.0154 9.0154 9.5139 9.5139 9.5511 9.5511 10.2275 10.2275 10.2758 10.2758 k =-0.0969 0.2420 0.2607 ( 12079 PWs) bands (ev): -15.0652 -15.0652 -14.8143 -14.8143 -13.8829 -13.8829 -13.3097 -13.3097 -12.8099 -12.8099 -11.6608 -11.6608 -3.6914 -3.6914 -3.4934 -3.4934 -2.7434 -2.7434 -2.6182 -2.6182 -2.5161 -2.5161 -2.2427 -2.2427 -2.0012 -2.0012 -1.7952 -1.7952 -1.6702 -1.6702 -0.3456 -0.3456 1.1181 1.1181 2.5280 2.5280 2.6443 2.6443 3.1245 3.1245 3.1830 3.1830 3.2340 3.2340 3.4084 3.4084 3.4447 3.4447 8.9384 8.9384 9.4764 9.4764 9.5245 9.5245 10.1989 10.1989 10.2251 10.2251 k =-0.0900 0.2247 0.2421 ( 12079 PWs) bands (ev): -15.0756 -15.0756 -14.8171 -14.8171 -13.8783 -13.8783 -13.3212 -13.3212 -12.7964 -12.7964 -11.6494 -11.6494 -3.6901 -3.6901 -3.4869 -3.4869 -2.7367 -2.7367 -2.6303 -2.6303 -2.5308 -2.5308 -2.2009 -2.2009 -2.0020 -2.0020 -1.8045 -1.8045 -1.6541 -1.6541 -0.4026 -0.4026 1.1535 1.1535 2.5377 2.5377 2.6482 2.6482 3.1205 3.1205 3.1877 3.1877 3.2335 3.2335 3.4272 3.4272 3.4579 3.4579 8.8631 8.8631 9.4346 9.4346 9.4954 9.4954 10.1708 10.1708 10.1803 10.1803 k =-0.0831 0.2074 0.2234 ( 12089 PWs) bands (ev): -15.0854 -15.0854 -14.8197 -14.8197 -13.8740 -13.8740 -13.3316 -13.3316 -12.7838 -12.7838 -11.6385 -11.6385 -3.6891 -3.6891 -3.4804 -3.4804 -2.7304 -2.7304 -2.6419 -2.6419 -2.5444 -2.5444 -2.1596 -2.1596 -2.0026 -2.0026 -1.8130 -1.8130 -1.6376 -1.6376 -0.4597 -0.4597 1.1860 1.1860 2.5475 2.5475 2.6521 2.6521 3.1169 3.1169 3.1924 3.1924 3.2333 3.2333 3.4450 3.4450 3.4707 3.4707 8.7901 8.7901 9.3903 9.3903 9.4642 9.4642 10.1266 10.1266 10.1585 10.1585 k =-0.0762 0.1901 0.2048 ( 12087 PWs) bands (ev): -15.0946 -15.0946 -14.8223 -14.8223 -13.8702 -13.8702 -13.3412 -13.3412 -12.7722 -12.7722 -11.6282 -11.6282 -3.6884 -3.6884 -3.4742 -3.4742 -2.7244 -2.7244 -2.6529 -2.6529 -2.5568 -2.5568 -2.1196 -2.1196 -2.0028 -2.0028 -1.8203 -1.8203 -1.6205 -1.6205 -0.5167 -0.5167 1.2156 1.2156 2.5571 2.5571 2.6561 2.6561 3.1137 3.1137 3.1973 3.1973 3.2334 3.2334 3.4617 3.4617 3.4831 3.4831 8.7199 8.7199 9.3453 9.3453 9.4314 9.4314 10.0837 10.0837 10.1425 10.1425 k =-0.0692 0.1729 0.1862 ( 12117 PWs) bands (ev): -15.1031 -15.1031 -14.8247 -14.8247 -13.8667 -13.8667 -13.3498 -13.3498 -12.7616 -12.7616 -11.6184 -11.6184 -3.6880 -3.6880 -3.4681 -3.4681 -2.7190 -2.7190 -2.6632 -2.6632 -2.5679 -2.5679 -2.0826 -2.0826 -2.0019 -2.0019 -1.8258 -1.8258 -1.6029 -1.6029 -0.5735 -0.5735 1.2423 1.2423 2.5664 2.5664 2.6603 2.6603 3.1107 3.1107 3.2024 3.2024 3.2338 3.2338 3.4772 3.4772 3.4950 3.4950 8.6533 8.6533 9.3010 9.3010 9.3976 9.3976 10.0451 10.0451 10.1289 10.1289 k =-0.0623 0.1556 0.1676 ( 12129 PWs) bands (ev): -15.1109 -15.1109 -14.8269 -14.8269 -13.8636 -13.8636 -13.3575 -13.3575 -12.7520 -12.7520 -11.6094 -11.6094 -3.6878 -3.6878 -3.4624 -3.4624 -2.7145 -2.7145 -2.6726 -2.6726 -2.5776 -2.5776 -2.0515 -2.0515 -1.9978 -1.9978 -1.8290 -1.8290 -1.5845 -1.5845 -0.6298 -0.6298 1.2661 1.2661 2.5751 2.5751 2.6646 2.6646 3.1080 3.1080 3.2075 3.2075 3.2344 3.2344 3.4914 3.4914 3.5061 3.5061 8.5907 8.5907 9.2587 9.2587 9.3636 9.3636 10.0112 10.0112 10.1172 10.1172 k =-0.0554 0.1383 0.1490 ( 12129 PWs) bands (ev): -15.1179 -15.1179 -14.8290 -14.8290 -13.8608 -13.8608 -13.3643 -13.3643 -12.7434 -12.7434 -11.6011 -11.6011 -3.6877 -3.6877 -3.4570 -3.4570 -2.7114 -2.7114 -2.6805 -2.6805 -2.5860 -2.5860 -2.0319 -2.0319 -1.9866 -1.9866 -1.8292 -1.8292 -1.5649 -1.5649 -0.6853 -0.6853 1.2870 1.2870 2.5828 2.5828 2.6691 2.6691 3.1057 3.1057 3.2126 3.2126 3.2351 3.2351 3.5043 3.5043 3.5164 3.5164 8.5329 8.5329 9.2193 9.2193 9.3304 9.3304 9.9819 9.9819 10.1069 10.1069 k =-0.0485 0.1210 0.1303 ( 12117 PWs) bands (ev): -15.1242 -15.1242 -14.8308 -14.8308 -13.8584 -13.8584 -13.3702 -13.3702 -12.7359 -12.7359 -11.5936 -11.5936 -3.6878 -3.6878 -3.4521 -3.4521 -2.7104 -2.7104 -2.6860 -2.6860 -2.5931 -2.5931 -2.0244 -2.0244 -1.9689 -1.9689 -1.8255 -1.8255 -1.5441 -1.5441 -0.7395 -0.7395 1.3053 1.3053 2.5896 2.5896 2.6736 2.6736 3.1036 3.1036 3.2176 3.2176 3.2359 3.2359 3.5157 3.5157 3.5259 3.5259 8.4803 8.4803 9.1833 9.1833 9.2988 9.2988 9.9570 9.9570 10.0977 10.0977 k =-0.0415 0.1037 0.1117 ( 12103 PWs) bands (ev): -15.1297 -15.1297 -14.8325 -14.8325 -13.8564 -13.8564 -13.3753 -13.3753 -12.7293 -12.7293 -11.5870 -11.5870 -3.6879 -3.6879 -3.4476 -3.4476 -2.7124 -2.7124 -2.6885 -2.6885 -2.5989 -2.5989 -2.0222 -2.0222 -1.9527 -1.9527 -1.8178 -1.8178 -1.5217 -1.5217 -0.7918 -0.7918 1.3208 1.3208 2.5954 2.5954 2.6780 2.6780 3.1019 3.1019 3.2223 3.2223 3.2368 3.2368 3.5256 3.5256 3.5345 3.5345 8.4335 8.4335 9.1514 9.1514 9.2698 9.2698 9.9362 9.9362 10.0897 10.0897 k =-0.0346 0.0864 0.0931 ( 12119 PWs) bands (ev): -15.1344 -15.1344 -14.8339 -14.8339 -13.8547 -13.8547 -13.3795 -13.3795 -12.7237 -12.7237 -11.5813 -11.5813 -3.6881 -3.6881 -3.4437 -3.4437 -2.7163 -2.7163 -2.6886 -2.6886 -2.6034 -2.6034 -2.0217 -2.0217 -1.9412 -1.9412 -1.8069 -1.8069 -1.4981 -1.4981 -0.8415 -0.8415 1.3338 1.3338 2.6000 2.6000 2.6821 2.6821 3.1004 3.1004 3.2267 3.2267 3.2376 3.2376 3.5340 3.5340 3.5420 3.5420 8.3930 8.3930 9.1239 9.1239 9.2439 9.2439 9.9191 9.9191 10.0828 10.0828 k =-0.0277 0.0691 0.0745 ( 12127 PWs) bands (ev): -15.1383 -15.1383 -14.8351 -14.8351 -13.8534 -13.8534 -13.3830 -13.3830 -12.7192 -12.7192 -11.5766 -11.5766 -3.6883 -3.6883 -3.4405 -3.4405 -2.7207 -2.7207 -2.6877 -2.6877 -2.6070 -2.6070 -2.0219 -2.0219 -1.9342 -1.9342 -1.7949 -1.7949 -1.4738 -1.4738 -0.8873 -0.8873 1.3443 1.3443 2.6037 2.6037 2.6858 2.6858 3.0991 3.0991 3.2306 3.2306 3.2384 3.2384 3.5407 3.5407 3.5484 3.5484 8.3592 8.3592 9.1011 9.1011 9.2219 9.2219 9.9056 9.9056 10.0770 10.0770 k =-0.0208 0.0519 0.0559 ( 12135 PWs) bands (ev): -15.1413 -15.1413 -14.8360 -14.8360 -13.8523 -13.8523 -13.3856 -13.3856 -12.7157 -12.7157 -11.5729 -11.5729 -3.6884 -3.6884 -3.4379 -3.4379 -2.7247 -2.7247 -2.6868 -2.6868 -2.6095 -2.6095 -2.0222 -2.0222 -1.9302 -1.9302 -1.7838 -1.7838 -1.4503 -1.4503 -0.9275 -0.9275 1.3523 1.3523 2.6064 2.6064 2.6889 2.6889 3.0982 3.0982 3.2337 3.2337 3.2391 3.2391 3.5459 3.5459 3.5535 3.5535 8.3325 8.3325 9.0832 9.0832 9.2043 9.2043 9.8953 9.8953 10.0725 10.0725 k =-0.0138 0.0346 0.0372 ( 12137 PWs) bands (ev): -15.1435 -15.1435 -14.8366 -14.8366 -13.8516 -13.8516 -13.3875 -13.3875 -12.7132 -12.7132 -11.5702 -11.5702 -3.6886 -3.6886 -3.4360 -3.4360 -2.7277 -2.7277 -2.6861 -2.6861 -2.6112 -2.6112 -2.0225 -2.0225 -1.9282 -1.9282 -1.7750 -1.7750 -1.4299 -1.4299 -0.9598 -0.9598 1.3580 1.3580 2.6083 2.6083 2.6913 2.6913 3.0975 3.0975 3.2358 3.2358 3.2398 3.2398 3.5496 3.5496 3.5573 3.5573 8.3133 8.3133 9.0703 9.0703 9.1915 9.1915 9.8881 9.8881 10.0691 10.0691 k =-0.0069 0.0173 0.0186 ( 12129 PWs) bands (ev): -15.1448 -15.1448 -14.8370 -14.8370 -13.8512 -13.8512 -13.3887 -13.3887 -12.7117 -12.7117 -11.5686 -11.5686 -3.6887 -3.6886 -3.4348 -3.4348 -2.7296 -2.7296 -2.6856 -2.6856 -2.6122 -2.6122 -2.0228 -2.0228 -1.9272 -1.9272 -1.7695 -1.7695 -1.4157 -1.4157 -0.9810 -0.9810 1.3614 1.3614 2.6094 2.6094 2.6927 2.6927 3.0971 3.0971 3.2370 3.2370 3.2404 3.2404 3.5518 3.5518 3.5596 3.5596 8.3016 8.3016 9.0625 9.0625 9.1837 9.1837 9.8838 9.8838 10.0671 10.0671 k = 0.0000 0.0000 0.0000 ( 12133 PWs) bands (ev): -15.1452 -15.1452 -14.8372 -14.8372 -13.8510 -13.8510 -13.3890 -13.3890 -12.7112 -12.7112 -11.5681 -11.5681 -3.6887 -3.6887 -3.4344 -3.4344 -2.7302 -2.7302 -2.6855 -2.6855 -2.6125 -2.6125 -2.0229 -2.0229 -1.9269 -1.9269 -1.7677 -1.7677 -1.4106 -1.4106 -0.9885 -0.9885 1.3626 1.3626 2.6098 2.6098 2.6932 2.6932 3.0970 3.0970 3.2374 3.2374 3.2406 3.2406 3.5525 3.5525 3.5603 3.5603 8.2977 8.2977 9.0599 9.0599 9.1810 9.1810 9.8824 9.8824 10.0665 10.0665 k = 0.0000 0.0000 0.0000 ( 12133 PWs) bands (ev): -15.1452 -15.1452 -14.8372 -14.8372 -13.8510 -13.8510 -13.3890 -13.3890 -12.7112 -12.7112 -11.5681 -11.5681 -3.6887 -3.6887 -3.4344 -3.4344 -2.7302 -2.7302 -2.6855 -2.6855 -2.6125 -2.6125 -2.0229 -2.0229 -1.9269 -1.9269 -1.7677 -1.7677 -1.4106 -1.4106 -0.9885 -0.9885 1.3626 1.3626 2.6098 2.6098 2.6932 2.6932 3.0970 3.0970 3.2374 3.2374 3.2406 3.2406 3.5525 3.5525 3.5603 3.5603 8.2977 8.2977 9.0599 9.0599 9.1810 9.1810 9.8824 9.8824 10.0665 10.0665 k = 0.0238 0.0095-0.0000 ( 12129 PWs) bands (ev): -15.1448 -15.1448 -14.8376 -14.8376 -13.8508 -13.8508 -13.3910 -13.3910 -12.7082 -12.7082 -11.5693 -11.5693 -3.6885 -3.6885 -3.4353 -3.4353 -2.7298 -2.7298 -2.6841 -2.6841 -2.6128 -2.6128 -2.0228 -2.0228 -1.9261 -1.9261 -1.7675 -1.7675 -1.4111 -1.4111 -0.9908 -0.9908 1.3655 1.3655 2.6099 2.6099 2.6931 2.6931 3.0945 3.0945 3.2362 3.2362 3.2394 3.2394 3.5538 3.5538 3.5615 3.5615 8.3019 8.3019 9.0572 9.0572 9.1751 9.1751 9.8836 9.8836 10.0745 10.0745 k = 0.0476 0.0191-0.0000 ( 12141 PWs) bands (ev): -15.1436 -15.1436 -14.8389 -14.8389 -13.8500 -13.8500 -13.3969 -13.3969 -12.6996 -12.6996 -11.5730 -11.5730 -3.6880 -3.6880 -3.4377 -3.4377 -2.7287 -2.7287 -2.6798 -2.6798 -2.6137 -2.6137 -2.0228 -2.0228 -1.9239 -1.9239 -1.7672 -1.7672 -1.4125 -1.4125 -0.9976 -0.9976 1.3744 1.3744 2.6102 2.6102 2.6928 2.6928 3.0870 3.0870 3.2325 3.2325 3.2359 3.2359 3.5574 3.5574 3.5648 3.5648 8.3142 8.3142 9.0490 9.0490 9.1579 9.1579 9.8874 9.8874 10.0979 10.0979 k = 0.0714 0.0286-0.0000 ( 12145 PWs) bands (ev): -15.1415 -15.1415 -14.8411 -14.8411 -13.8487 -13.8487 -13.4062 -13.4062 -12.6857 -12.6857 -11.5792 -11.5792 -3.6871 -3.6871 -3.4417 -3.4417 -2.7271 -2.7271 -2.6725 -2.6725 -2.6151 -2.6151 -2.0228 -2.0228 -1.9201 -1.9201 -1.7665 -1.7665 -1.4150 -1.4150 -1.0089 -1.0089 1.3890 1.3890 2.6106 2.6106 2.6923 2.6923 3.0746 3.0746 3.2266 3.2266 3.2303 3.2303 3.5632 3.5632 3.5702 3.5702 8.3346 8.3346 9.0359 9.0359 9.1314 9.1314 9.8934 9.8934 10.1346 10.1346 k = 0.0952 0.0382-0.0000 ( 12137 PWs) bands (ev): -15.1387 -15.1387 -14.8441 -14.8441 -13.8468 -13.8468 -13.4187 -13.4187 -12.6668 -12.6668 -11.5877 -11.5877 -3.6859 -3.6859 -3.4470 -3.4470 -2.7254 -2.7254 -2.6619 -2.6619 -2.6170 -2.6170 -2.0231 -2.0231 -1.9148 -1.9148 -1.7655 -1.7655 -1.4184 -1.4184 -1.0242 -1.0242 1.4092 1.4092 2.6113 2.6113 2.6916 2.6916 3.0574 3.0574 3.2189 3.2189 3.2230 3.2230 3.5707 3.5707 3.5773 3.5773 8.3630 8.3630 9.0182 9.0182 9.0980 9.0980 9.9013 9.9013 10.1822 10.1822 k = 0.1190 0.0477-0.0000 ( 12141 PWs) bands (ev): -15.1350 -15.1350 -14.8480 -14.8480 -13.8444 -13.8444 -13.4336 -13.4336 -12.6437 -12.6437 -11.5987 -11.5987 -3.6843 -3.6843 -3.4537 -3.4537 -2.7238 -2.7238 -2.6482 -2.6482 -2.6195 -2.6195 -2.0237 -2.0237 -1.9080 -1.9080 -1.7640 -1.7640 -1.4227 -1.4227 -1.0435 -1.0435 1.4346 1.4346 2.6121 2.6121 2.6908 2.6908 3.0356 3.0356 3.2098 3.2098 3.2142 3.2142 3.5798 3.5798 3.5858 3.5858 8.3989 8.3989 8.9966 8.9966 9.0600 9.0600 9.9104 9.9104 10.2381 10.2381 k = 0.1429 0.0572-0.0000 ( 12157 PWs) bands (ev): -15.1306 -15.1306 -14.8527 -14.8527 -13.8415 -13.8415 -13.4505 -13.4505 -12.6168 -12.6168 -11.6120 -11.6120 -3.6824 -3.6824 -3.4613 -3.4613 -2.7222 -2.7222 -2.6315 -2.6315 -2.6224 -2.6224 -2.0249 -2.0249 -1.8998 -1.8998 -1.7619 -1.7619 -1.4280 -1.4280 -1.0663 -1.0663 1.4649 1.4649 2.6131 2.6131 2.6897 2.6897 3.0093 3.0093 3.1995 3.1995 3.2043 3.2043 3.5898 3.5898 3.5953 3.5953 8.4420 8.4420 8.9719 8.9719 9.0195 9.0195 9.9203 9.9203 10.2999 10.2999 k = 0.1667 0.0668-0.0000 ( 12149 PWs) bands (ev): -15.1255 -15.1255 -14.8582 -14.8582 -13.8380 -13.8380 -13.4689 -13.4689 -12.5869 -12.5869 -11.6276 -11.6276 -3.6801 -3.6801 -3.4699 -3.4699 -2.7207 -2.7207 -2.6257 -2.6257 -2.6121 -2.6121 -2.0269 -2.0269 -1.8901 -1.8901 -1.7590 -1.7590 -1.4341 -1.4341 -1.0922 -1.0922 1.4998 1.4998 2.6143 2.6143 2.6885 2.6885 2.9789 2.9789 3.1886 3.1886 3.1937 3.1937 3.6006 3.6006 3.6055 3.6055 8.4918 8.4918 8.9447 8.9447 8.9783 8.9783 9.9302 9.9302 10.3658 10.3658 k = 0.1905 0.0763-0.0000 ( 12161 PWs) bands (ev): -15.1196 -15.1196 -14.8644 -14.8644 -13.8339 -13.8339 -13.4883 -13.4883 -12.5543 -12.5543 -11.6455 -11.6455 -3.6774 -3.6774 -3.4792 -3.4792 -2.7191 -2.7191 -2.6293 -2.6293 -2.5904 -2.5904 -2.0300 -2.0300 -1.8790 -1.8790 -1.7553 -1.7553 -1.4411 -1.4411 -1.1209 -1.1209 1.5388 1.5388 2.6156 2.6156 2.6870 2.6870 2.9445 2.9445 3.1773 3.1773 3.1827 3.1827 3.6117 3.6117 3.6161 3.6161 8.5477 8.5477 8.9158 8.9158 8.9378 8.9378 9.9395 9.9395 10.4339 10.4339 k = 0.2143 0.0858-0.0000 ( 12158 PWs) bands (ev): -15.1130 -15.1130 -14.8714 -14.8714 -13.8293 -13.8293 -13.5082 -13.5082 -12.5195 -12.5195 -11.6655 -11.6655 -3.6744 -3.6744 -3.4890 -3.4890 -2.7175 -2.7175 -2.6332 -2.6332 -2.5665 -2.5665 -2.0344 -2.0344 -1.8665 -1.8665 -1.7506 -1.7506 -1.4489 -1.4489 -1.1518 -1.1518 1.5816 1.5816 2.6171 2.6171 2.6854 2.6854 2.9065 2.9065 3.1660 3.1660 3.1715 3.1715 3.6229 3.6229 3.6268 3.6268 8.6086 8.6086 8.8859 8.8859 8.8996 8.8996 9.9473 9.9473 10.5030 10.5030 k = 0.2381 0.0954-0.0000 ( 12142 PWs) bands (ev): -15.1057 -15.1057 -14.8791 -14.8791 -13.8241 -13.8241 -13.5284 -13.5284 -12.4830 -12.4830 -11.6876 -11.6876 -3.6710 -3.6710 -3.4992 -3.4992 -2.7159 -2.7159 -2.6374 -2.6374 -2.5409 -2.5409 -2.0403 -2.0403 -1.8526 -1.8526 -1.7449 -1.7449 -1.4574 -1.4574 -1.1846 -1.1846 1.6277 1.6277 2.6186 2.6186 2.6836 2.6836 2.8652 2.8652 3.1548 3.1548 3.1605 3.1605 3.6340 3.6340 3.6374 3.6374 8.6720 8.6720 8.8557 8.8557 8.8663 8.8663 9.9530 9.9530 10.5717 10.5717 k = 0.2619 0.1049-0.0000 ( 12122 PWs) bands (ev): -15.0978 -15.0978 -14.8874 -14.8874 -13.8182 -13.8182 -13.5487 -13.5487 -12.4451 -12.4451 -11.7117 -11.7117 -3.6672 -3.6672 -3.5096 -3.5096 -2.7140 -2.7140 -2.6417 -2.6417 -2.5139 -2.5139 -2.0478 -2.0478 -1.8373 -1.8373 -1.7381 -1.7381 -1.4666 -1.4666 -1.2188 -1.2188 1.6768 1.6768 2.6201 2.6201 2.6817 2.6817 2.8210 2.8210 3.1440 3.1440 3.1497 3.1497 3.6447 3.6447 3.6476 3.6476 8.7291 8.7291 8.8257 8.8257 8.8467 8.8467 9.9555 9.9555 10.6390 10.6390 k = 0.2857 0.1145-0.0000 ( 12118 PWs) bands (ev): -15.0893 -15.0893 -14.8963 -14.8963 -13.8117 -13.8117 -13.5687 -13.5687 -12.4060 -12.4060 -11.7378 -11.7378 -3.6630 -3.6630 -3.5201 -3.5201 -2.7121 -2.7121 -2.6462 -2.6462 -2.4857 -2.4857 -2.0572 -2.0572 -1.8208 -1.8208 -1.7303 -1.7303 -1.4764 -1.4764 -1.2540 -1.2540 1.7285 1.7285 2.6213 2.6213 2.6795 2.6795 2.7745 2.7745 3.1338 3.1338 3.1395 3.1395 3.6548 3.6548 3.6574 3.6574 8.7500 8.7500 8.7966 8.7966 8.8705 8.8705 9.9538 9.9538 10.7038 10.7038 k = 0.3095 0.1240-0.0000 ( 12106 PWs) bands (ev): -15.0802 -15.0802 -14.9058 -14.9058 -13.8046 -13.8046 -13.5884 -13.5884 -12.3662 -12.3662 -11.7657 -11.7657 -3.6584 -3.6584 -3.5306 -3.5306 -2.7099 -2.7099 -2.6508 -2.6508 -2.4566 -2.4566 -2.0684 -2.0684 -1.8030 -1.8030 -1.7216 -1.7216 -1.4866 -1.4866 -1.2898 -1.2898 1.7825 1.7825 2.6215 2.6215 2.6772 2.6772 2.7266 2.7266 3.1244 3.1244 3.1298 3.1298 3.6643 3.6643 3.6664 3.6664 8.7355 8.7355 8.7688 8.7688 8.9366 8.9366 9.9469 9.9469 10.7654 10.7654 k = 0.3333 0.1335-0.0000 ( 12106 PWs) bands (ev): -15.0706 -15.0706 -14.9157 -14.9157 -13.7968 -13.7968 -13.6075 -13.6075 -12.3257 -12.3257 -11.7953 -11.7953 -3.6534 -3.6534 -3.5410 -3.5410 -2.7076 -2.7076 -2.6554 -2.6554 -2.4270 -2.4270 -2.0816 -2.0816 -1.7841 -1.7841 -1.7121 -1.7121 -1.4971 -1.4971 -1.3257 -1.3257 1.8383 1.8383 2.6175 2.6175 2.6747 2.6747 2.6807 2.6807 3.1158 3.1158 3.1209 3.1209 3.6729 3.6729 3.6747 3.6747 8.7139 8.7139 8.7429 8.7429 9.0162 9.0162 9.9337 9.9337 10.8232 10.8232 k = 0.3571 0.1431-0.0000 ( 12090 PWs) bands (ev): -15.0606 -15.0606 -14.9261 -14.9261 -13.7882 -13.7882 -13.6260 -13.6260 -12.2849 -12.2849 -11.8266 -11.8266 -3.6480 -3.6480 -3.5513 -3.5513 -2.7051 -2.7051 -2.6600 -2.6600 -2.3970 -2.3970 -2.0967 -2.0967 -1.7642 -1.7642 -1.7021 -1.7021 -1.5077 -1.5077 -1.3613 -1.3613 1.8958 1.8958 2.5955 2.5955 2.6512 2.6512 2.6721 2.6721 3.1082 3.1082 3.1129 3.1129 3.6806 3.6806 3.6821 3.6821 8.6931 8.6931 8.7191 8.7191 9.1008 9.1008 9.9130 9.9130 10.8767 10.8767 k = 0.3810 0.1526-0.0000 ( 12094 PWs) bands (ev): -15.0502 -15.0502 -14.9369 -14.9369 -13.7790 -13.7790 -13.6439 -13.6439 -12.2439 -12.2439 -11.8594 -11.8594 -3.6421 -3.6421 -3.5613 -3.5613 -2.7024 -2.7024 -2.6645 -2.6645 -2.3670 -2.3670 -2.1136 -2.1136 -1.7435 -1.7435 -1.6918 -1.6918 -1.5180 -1.5180 -1.3962 -1.3962 1.9545 1.9545 2.5491 2.5491 2.6443 2.6443 2.6694 2.6694 3.1018 3.1018 3.1059 3.1059 3.6872 3.6872 3.6885 3.6885 8.6751 8.6751 8.6979 8.6979 9.1877 9.1877 9.8841 9.8841 10.9259 10.9259 k = 0.4048 0.1622-0.0000 ( 12106 PWs) bands (ev): -15.0394 -15.0394 -14.9480 -14.9480 -13.7691 -13.7691 -13.6610 -13.6610 -12.2028 -12.2028 -11.8936 -11.8936 -3.6359 -3.6359 -3.5711 -3.5711 -2.6994 -2.6994 -2.6690 -2.6690 -2.3372 -2.3372 -2.1325 -2.1325 -1.7224 -1.7224 -1.6816 -1.6816 -1.5276 -1.5276 -1.4298 -1.4298 2.0141 2.0141 2.4945 2.4945 2.6444 2.6444 2.6665 2.6665 3.0965 3.0965 3.0999 3.0999 3.6928 3.6928 3.6938 3.6938 8.6605 8.6605 8.6796 8.6796 9.2754 9.2754 9.8462 9.8462 10.9711 10.9711 k = 0.4286 0.1717-0.0000 ( 12094 PWs) bands (ev): -15.0283 -15.0283 -14.9593 -14.9593 -13.7583 -13.7583 -13.6773 -13.6773 -12.1620 -12.1620 -11.9291 -11.9291 -3.6292 -3.6292 -3.5805 -3.5805 -2.6963 -2.6963 -2.6733 -2.6733 -2.3078 -2.3078 -2.1531 -2.1531 -1.7018 -1.7018 -1.6721 -1.6721 -1.5356 -1.5356 -1.4615 -1.4615 2.0746 2.0746 2.4371 2.4371 2.6462 2.6462 2.6636 2.6636 3.0924 3.0924 3.0951 3.0951 3.6972 3.6972 3.6979 3.6979 8.6496 8.6496 8.6645 8.6645 9.3626 9.3626 9.7991 9.7991 11.0131 11.0131 k = 0.4524 0.1812-0.0000 ( 12094 PWs) bands (ev): -15.0170 -15.0170 -14.9707 -14.9707 -13.7469 -13.7469 -13.6929 -13.6929 -12.1215 -12.1215 -11.9658 -11.9658 -3.6221 -3.6221 -3.5896 -3.5896 -2.6929 -2.6929 -2.6776 -2.6776 -2.2791 -2.2791 -2.1754 -2.1754 -1.6831 -1.6831 -1.6643 -1.6643 -1.5404 -1.5404 -1.4900 -1.4900 2.1354 2.1354 2.3781 2.3781 2.6487 2.6487 2.6606 2.6606 3.0896 3.0896 3.0915 3.0915 3.7004 3.7004 3.7009 3.7009 8.6425 8.6425 8.6527 8.6527 9.4479 9.4479 9.7432 9.7432 11.0527 11.0527 k = 0.4762 0.1908-0.0000 ( 12078 PWs) bands (ev): -15.0055 -15.0055 -14.9823 -14.9823 -13.7346 -13.7346 -13.7076 -13.7076 -12.0815 -12.0815 -12.0035 -12.0035 -3.6146 -3.6146 -3.5984 -3.5984 -2.6894 -2.6894 -2.6817 -2.6817 -2.2514 -2.2514 -2.1993 -2.1993 -1.6686 -1.6686 -1.6598 -1.6598 -1.5397 -1.5397 -1.5140 -1.5140 2.1965 2.1965 2.3181 2.3181 2.6515 2.6515 2.6575 2.6575 3.0881 3.0881 3.0891 3.0891 3.7024 3.7024 3.7027 3.7027 8.6393 8.6393 8.6445 8.6445 9.5300 9.5300 9.6789 9.6789 11.0913 11.0923 k = 0.5000 0.2003-0.0000 ( 12066 PWs) bands (ev): -14.9939 -14.9939 -14.9939 -14.9939 -13.7215 -13.7215 -13.7215 -13.7215 -12.0421 -12.0421 -12.0421 -12.0421 -3.6067 -3.6067 -3.6067 -3.6067 -2.6856 -2.6856 -2.6856 -2.6856 -2.2247 -2.2247 -2.2247 -2.2247 -1.6606 -1.6606 -1.6606 -1.6606 -1.5311 -1.5311 -1.5311 -1.5311 2.2574 2.2574 2.2574 2.2574 2.6545 2.6545 2.6545 2.6545 3.0880 3.0880 3.0880 3.0880 3.7032 3.7032 3.7032 3.7032 8.6400 8.6400 8.6400 8.6400 9.6074 9.6074 9.6074 9.6074 11.1306 11.1306 k = 0.5000 0.2003-0.0000 ( 12066 PWs) bands (ev): -14.9939 -14.9939 -14.9939 -14.9939 -13.7215 -13.7215 -13.7215 -13.7215 -12.0421 -12.0421 -12.0421 -12.0421 -3.6067 -3.6067 -3.6067 -3.6067 -2.6856 -2.6856 -2.6856 -2.6856 -2.2247 -2.2247 -2.2247 -2.2247 -1.6606 -1.6606 -1.6606 -1.6606 -1.5311 -1.5311 -1.5311 -1.5311 2.2574 2.2574 2.2574 2.2574 2.6545 2.6545 2.6545 2.6545 3.0880 3.0880 3.0880 3.0880 3.7032 3.7032 3.7032 3.7032 8.6400 8.6400 8.6400 8.6400 9.6074 9.6074 9.6074 9.6074 11.1306 11.1306 k = 0.4930 0.2177 0.0187 ( 12076 PWs) bands (ev): -14.9936 -14.9936 -14.9936 -14.9936 -13.7218 -13.7218 -13.7212 -13.7212 -12.0430 -12.0430 -12.0420 -12.0420 -3.6113 -3.6113 -3.6023 -3.6023 -2.6981 -2.6981 -2.6738 -2.6738 -2.2278 -2.2278 -2.2221 -2.2221 -1.6811 -1.6811 -1.6401 -1.6401 -1.5392 -1.5392 -1.5218 -1.5218 2.2540 2.2540 2.2583 2.2583 2.6527 2.6527 2.6563 2.6563 3.0868 3.0868 3.0898 3.0898 3.7026 3.7026 3.7029 3.7029 8.6424 8.6424 8.6434 8.6434 9.6088 9.6088 9.6103 9.6103 11.1248 11.1275 k = 0.4861 0.2351 0.0375 ( 12084 PWs) bands (ev): -14.9927 -14.9927 -14.9927 -14.9927 -13.7229 -13.7229 -13.7202 -13.7202 -12.0457 -12.0457 -12.0418 -12.0418 -3.6161 -3.6161 -3.5980 -3.5980 -2.7111 -2.7111 -2.6629 -2.6629 -2.2313 -2.2313 -2.2198 -2.2198 -1.7014 -1.7014 -1.6199 -1.6199 -1.5460 -1.5460 -1.5111 -1.5111 2.2440 2.2440 2.2605 2.2605 2.6509 2.6509 2.6581 2.6581 3.0847 3.0847 3.0938 3.0938 3.7012 3.7012 3.7021 3.7021 8.6504 8.6504 8.6529 8.6529 9.6133 9.6133 9.6186 9.6186 11.1095 11.1130 k = 0.4791 0.2525 0.0562 ( 12096 PWs) bands (ev): -14.9911 -14.9911 -14.9911 -14.9911 -13.7247 -13.7247 -13.7185 -13.7185 -12.0501 -12.0501 -12.0414 -12.0414 -3.6211 -3.6211 -3.5939 -3.5939 -2.7242 -2.7242 -2.6532 -2.6532 -2.2351 -2.2351 -2.2179 -2.2179 -1.7213 -1.7213 -1.6011 -1.6011 -1.5508 -1.5508 -1.4988 -1.4988 2.2278 2.2278 2.2643 2.2643 2.6491 2.6491 2.6600 2.6600 3.0815 3.0815 3.0999 3.0999 3.6989 3.6989 3.7008 3.7008 8.6637 8.6637 8.6686 8.6686 9.6206 9.6206 9.6323 9.6323 11.0841 11.0841 k = 0.4721 0.2699 0.0749 ( 12112 PWs) bands (ev): -14.9890 -14.9890 -14.9889 -14.9889 -13.7272 -13.7272 -13.7162 -13.7162 -12.0564 -12.0564 -12.0409 -12.0409 -3.6263 -3.6263 -3.5899 -3.5899 -2.7375 -2.7375 -2.6450 -2.6450 -2.2392 -2.2392 -2.2162 -2.2162 -1.7408 -1.7408 -1.5874 -1.5874 -1.5503 -1.5503 -1.4848 -1.4848 2.2057 2.2057 2.2696 2.2696 2.6473 2.6473 2.6619 2.6619 3.0771 3.0771 3.1078 3.1078 3.6957 3.6957 3.6989 3.6989 8.6821 8.6821 8.6904 8.6904 9.6310 9.6310 9.6512 9.6512 11.0500 11.0500 k = 0.4652 0.2873 0.0937 ( 12120 PWs) bands (ev): -14.9863 -14.9863 -14.9861 -14.9861 -13.7304 -13.7304 -13.7132 -13.7132 -12.0643 -12.0643 -12.0403 -12.0403 -3.6317 -3.6317 -3.5862 -3.5862 -2.7506 -2.7506 -2.6384 -2.6384 -2.2433 -2.2433 -2.2145 -2.2145 -1.7598 -1.7598 -1.5843 -1.5843 -1.5393 -1.5393 -1.4690 -1.4690 2.1785 2.1785 2.2763 2.2763 2.6456 2.6456 2.6639 2.6639 3.0714 3.0714 3.1170 3.1170 3.6916 3.6916 3.6966 3.6966 8.7057 8.7057 8.7180 8.7180 9.6444 9.6444 9.6749 9.6749 11.0080 11.0080 k = 0.4582 0.3047 0.1124 ( 12104 PWs) bands (ev): -14.9829 -14.9829 -14.9827 -14.9827 -13.7342 -13.7342 -13.7095 -13.7095 -12.0740 -12.0740 -12.0395 -12.0395 -3.6373 -3.6373 -3.5826 -3.5826 -2.7635 -2.7635 -2.6336 -2.6336 -2.2473 -2.2473 -2.2129 -2.2129 -1.7783 -1.7783 -1.5886 -1.5886 -1.5212 -1.5212 -1.4513 -1.4513 2.1466 2.1466 2.2845 2.2845 2.6438 2.6438 2.6659 2.6659 3.0644 3.0644 3.1271 3.1271 3.6868 3.6868 3.6939 3.6939 8.7342 8.7342 8.7511 8.7511 9.6609 9.6609 9.7031 9.7031 10.9590 10.9590 k = 0.4512 0.3221 0.1312 ( 12118 PWs) bands (ev): -14.9790 -14.9790 -14.9787 -14.9787 -13.7388 -13.7388 -13.7052 -13.7052 -12.0853 -12.0853 -12.0385 -12.0385 -3.6432 -3.6432 -3.5792 -3.5792 -2.7762 -2.7762 -2.6307 -2.6307 -2.2511 -2.2511 -2.2112 -2.2112 -1.7962 -1.7962 -1.5959 -1.5959 -1.5007 -1.5007 -1.4317 -1.4317 2.1106 2.1106 2.2941 2.2941 2.6421 2.6421 2.6679 2.6679 3.0563 3.0563 3.1374 3.1374 3.6811 3.6811 3.6908 3.6908 8.7673 8.7673 8.7894 8.7894 9.6806 9.6806 9.7351 9.7351 10.9041 10.9041 k = 0.4443 0.3394 0.1499 ( 12094 PWs) bands (ev): -14.9746 -14.9746 -14.9742 -14.9742 -13.7440 -13.7440 -13.7002 -13.7002 -12.0983 -12.0983 -12.0374 -12.0374 -3.6493 -3.6493 -3.5760 -3.5760 -2.7885 -2.7885 -2.6296 -2.6296 -2.2546 -2.2546 -2.2093 -2.2093 -1.8134 -1.8134 -1.6046 -1.6046 -1.4797 -1.4797 -1.4102 -1.4102 2.0713 2.0713 2.3051 2.3051 2.6404 2.6404 2.6701 2.6701 3.0470 3.0470 3.1476 3.1476 3.6747 3.6747 3.6874 3.6874 8.8049 8.8049 8.8324 8.8324 9.7036 9.7036 9.7703 9.7703 10.8446 10.8446 k = 0.4373 0.3568 0.1686 ( 12092 PWs) bands (ev): -14.9696 -14.9696 -14.9691 -14.9691 -13.7498 -13.7498 -13.6945 -13.6945 -12.1128 -12.1128 -12.0361 -12.0361 -3.6557 -3.6557 -3.5730 -3.5730 -2.8006 -2.8006 -2.6301 -2.6301 -2.2580 -2.2580 -2.2072 -2.2072 -1.8299 -1.8299 -1.6144 -1.6144 -1.4589 -1.4589 -1.3866 -1.3866 2.0291 2.0291 2.3175 2.3175 2.6387 2.6387 2.6723 2.6723 3.0366 3.0366 3.1573 3.1573 3.6677 3.6677 3.6836 3.6836 8.8466 8.8466 8.8796 8.8796 9.7298 9.7298 9.8078 9.8078 10.7813 10.7813 k = 0.4303 0.3742 0.1874 ( 12092 PWs) bands (ev): -14.9642 -14.9642 -14.9636 -14.9636 -13.7563 -13.7563 -13.6881 -13.6881 -12.1288 -12.1288 -12.0347 -12.0347 -3.6624 -3.6624 -3.5703 -3.5703 -2.8124 -2.8124 -2.6319 -2.6319 -2.2614 -2.2614 -2.2046 -2.2046 -1.8455 -1.8455 -1.6251 -1.6251 -1.4386 -1.4386 -1.3607 -1.3607 1.9845 1.9845 2.3312 2.3312 2.6370 2.6370 2.6747 2.6747 3.0250 3.0250 3.1661 3.1661 3.6600 3.6600 3.6797 3.6797 8.8922 8.8922 8.9304 8.9304 9.7596 9.7596 9.8468 9.8468 10.7152 10.7152 k = 0.4234 0.3916 0.2061 ( 12094 PWs) bands (ev): -14.9583 -14.9583 -14.9576 -14.9576 -13.7633 -13.7633 -13.6810 -13.6810 -12.1463 -12.1463 -12.0331 -12.0331 -3.6694 -3.6694 -3.5678 -3.5678 -2.8241 -2.8241 -2.6345 -2.6345 -2.2650 -2.2650 -2.2017 -2.2017 -1.8602 -1.8602 -1.6367 -1.6367 -1.4193 -1.4193 -1.3326 -1.3326 1.9379 1.9379 2.3462 2.3462 2.6353 2.6353 2.6773 2.6773 3.0125 3.0125 3.1738 3.1738 3.6518 3.6518 3.6755 3.6755 8.9411 8.9411 8.9842 8.9842 9.7930 9.7930 9.8861 9.8861 10.6474 10.6474 k = 0.4164 0.4090 0.2248 ( 12094 PWs) bands (ev): -14.9520 -14.9520 -14.9512 -14.9512 -13.7710 -13.7710 -13.6732 -13.6732 -12.1652 -12.1652 -12.0313 -12.0313 -3.6766 -3.6766 -3.5655 -3.5655 -2.8355 -2.8355 -2.6376 -2.6376 -2.2690 -2.2690 -2.1984 -2.1984 -1.8738 -1.8738 -1.6491 -1.6491 -1.4012 -1.4012 -1.3021 -1.3021 1.8898 1.8898 2.3625 2.3625 2.6337 2.6337 2.6801 2.6801 2.9989 2.9989 3.1804 3.1804 3.6430 3.6430 3.6711 3.6711 8.9931 8.9931 9.0402 9.0402 9.8300 9.8300 9.9245 9.9245 10.5785 10.5785 k = 0.4094 0.4264 0.2436 ( 12090 PWs) bands (ev): -14.9452 -14.9452 -14.9444 -14.9444 -13.7791 -13.7791 -13.6648 -13.6648 -12.1854 -12.1854 -12.0293 -12.0293 -3.6841 -3.6841 -3.5635 -3.5635 -2.8470 -2.8470 -2.6406 -2.6406 -2.2737 -2.2737 -2.1947 -2.1947 -1.8864 -1.8864 -1.6623 -1.6623 -1.3843 -1.3843 -1.2694 -1.2694 1.8404 1.8404 2.3798 2.3798 2.6320 2.6320 2.6832 2.6832 2.9845 2.9845 3.1856 3.1856 3.6339 3.6339 3.6664 3.6664 9.0477 9.0477 9.0976 9.0976 9.8706 9.8706 9.9610 9.9610 10.5096 10.5096 k = 0.4025 0.4438 0.2623 ( 12086 PWs) bands (ev): -14.9382 -14.9382 -14.9373 -14.9373 -13.7878 -13.7878 -13.6556 -13.6556 -12.2068 -12.2068 -12.0271 -12.0271 -3.6918 -3.6918 -3.5618 -3.5618 -2.8584 -2.8584 -2.6432 -2.6432 -2.2792 -2.2792 -2.1907 -2.1907 -1.8978 -1.8978 -1.6762 -1.6762 -1.3690 -1.3690 -1.2344 -1.2344 1.7901 1.7901 2.3982 2.3982 2.6304 2.6304 2.6867 2.6867 2.9692 2.9692 3.1894 3.1894 3.6243 3.6243 3.6615 3.6615 9.1043 9.1043 9.1556 9.1556 9.9144 9.9144 9.9945 9.9945 10.4418 10.4418 k = 0.3955 0.4612 0.2811 ( 12088 PWs) bands (ev): -14.9308 -14.9308 -14.9298 -14.9298 -13.7969 -13.7969 -13.6457 -13.6457 -12.2294 -12.2294 -12.0247 -12.0247 -3.6997 -3.6997 -3.5604 -3.5604 -2.8697 -2.8697 -2.6450 -2.6450 -2.2856 -2.2856 -2.1866 -2.1866 -1.9080 -1.9080 -1.6909 -1.6909 -1.3551 -1.3551 -1.1973 -1.1973 1.7392 1.7392 2.4175 2.4175 2.6289 2.6289 2.6905 2.6905 2.9532 2.9532 3.1919 3.1919 3.6144 3.6144 3.6563 3.6563 9.1623 9.1623 9.2134 9.2134 9.9603 9.9603 10.0242 10.0242 10.3766 10.3766 k = 0.3885 0.4786 0.2998 ( 12082 PWs) bands (ev): -14.9232 -14.9232 -14.9222 -14.9222 -13.8064 -13.8064 -13.6351 -13.6351 -12.2531 -12.2531 -12.0221 -12.0221 -3.7077 -3.7077 -3.5593 -3.5593 -2.8810 -2.8810 -2.6458 -2.6458 -2.2929 -2.2929 -2.1823 -2.1823 -1.9170 -1.9170 -1.7062 -1.7062 -1.3427 -1.3427 -1.1583 -1.1583 1.6879 1.6879 2.4376 2.4376 2.6274 2.6274 2.6947 2.6947 2.9366 2.9366 3.1931 3.1931 3.6041 3.6041 3.6508 3.6508 9.2211 9.2211 9.2704 9.2704 10.0057 10.0057 10.0496 10.0496 10.3170 10.3170 k = 0.3815 0.4960 0.3185 ( 12076 PWs) bands (ev): -14.9154 -14.9154 -14.9143 -14.9143 -13.8163 -13.8163 -13.6238 -13.6238 -12.2778 -12.2778 -12.0193 -12.0193 -3.7158 -3.7158 -3.5585 -3.5585 -2.8921 -2.8921 -2.6454 -2.6454 -2.3010 -2.3010 -2.1781 -2.1781 -1.9248 -1.9248 -1.7221 -1.7221 -1.3320 -1.3320 -1.1173 -1.1173 1.6365 1.6365 2.4584 2.4584 2.6261 2.6261 2.6995 2.6995 2.9194 2.9194 3.1932 3.1932 3.5936 3.5936 3.6448 3.6448 9.2801 9.2801 9.3260 9.3260 10.0434 10.0434 10.0702 10.0702 10.2709 10.2709 k = 0.3746 0.5134 0.3373 ( 12076 PWs) bands (ev): -14.9075 -14.9075 -14.9063 -14.9063 -13.8265 -13.8265 -13.6118 -13.6118 -12.3035 -12.3035 -12.0163 -12.0163 -3.7240 -3.7240 -3.5580 -3.5580 -2.9029 -2.9029 -2.6439 -2.6439 -2.3098 -2.3098 -2.1740 -2.1740 -1.9316 -1.9316 -1.7385 -1.7385 -1.3229 -1.3229 -1.0746 -1.0746 1.5850 1.5850 2.4794 2.4794 2.6252 2.6252 2.7048 2.7048 2.9018 2.9018 3.1922 3.1922 3.5829 3.5829 3.6384 3.6384 9.3383 9.3383 9.3797 9.3797 10.0578 10.0578 10.0838 10.0838 10.2562 10.2562 k = 0.3676 0.5308 0.3560 ( 12078 PWs) bands (ev): -14.8995 -14.8995 -14.8982 -14.8982 -13.8370 -13.8370 -13.5990 -13.5990 -12.3300 -12.3300 -12.0130 -12.0130 -3.7321 -3.7321 -3.5579 -3.5579 -2.9134 -2.9134 -2.6413 -2.6413 -2.3191 -2.3191 -2.1701 -2.1701 -1.9375 -1.9375 -1.7554 -1.7554 -1.3155 -1.3155 -1.0302 -1.0302 1.5338 1.5338 2.5002 2.5002 2.6251 2.6251 2.7107 2.7107 2.8839 2.8839 3.1902 3.1902 3.5720 3.5720 3.6315 3.6315 9.3951 9.3951 9.4312 9.4312 10.0334 10.0334 10.0961 10.0961 10.2828 10.2828 k = 0.3606 0.5482 0.3747 ( 12082 PWs) bands (ev): -14.8915 -14.8915 -14.8900 -14.8900 -13.8476 -13.8476 -13.5855 -13.5855 -12.3573 -12.3573 -12.0095 -12.0095 -3.7401 -3.7401 -3.5581 -3.5581 -2.9232 -2.9232 -2.6378 -2.6378 -2.3287 -2.3287 -2.1665 -2.1665 -1.9426 -1.9426 -1.7726 -1.7726 -1.3097 -1.3097 -0.9843 -0.9843 1.4828 1.4828 2.5202 2.5202 2.6263 2.6263 2.7172 2.7172 2.8657 2.8657 3.1876 3.1876 3.5609 3.5609 3.6240 3.6240 9.4494 9.4494 9.4803 9.4803 9.9881 9.9881 10.1072 10.1072 10.3335 10.3335 k = 0.3537 0.5656 0.3935 ( 12074 PWs) bands (ev): -14.8835 -14.8835 -14.8818 -14.8818 -13.8584 -13.8584 -13.5712 -13.5712 -12.3853 -12.3853 -12.0058 -12.0058 -3.7479 -3.7479 -3.5586 -3.5586 -2.9323 -2.9323 -2.6336 -2.6336 -2.3381 -2.3381 -2.1632 -2.1632 -1.9471 -1.9471 -1.7901 -1.7901 -1.3057 -1.3057 -0.9368 -0.9368 1.4323 1.4323 2.5381 2.5381 2.6300 2.6300 2.7244 2.7244 2.8475 2.8475 3.1843 3.1843 3.5497 3.5497 3.6158 3.6158 9.5003 9.5003 9.5268 9.5268 9.9371 9.9371 10.1169 10.1169 10.3932 10.3932 k = 0.3467 0.5830 0.4122 ( 12076 PWs) bands (ev): -14.8758 -14.8758 -14.8737 -14.8737 -13.8692 -13.8692 -13.5562 -13.5562 -12.4138 -12.4138 -12.0017 -12.0017 -3.7554 -3.7554 -3.5594 -3.5594 -2.9405 -2.9405 -2.6291 -2.6291 -2.3471 -2.3471 -2.1603 -2.1603 -1.9513 -1.9513 -1.8076 -1.8076 -1.3033 -1.3033 -0.8880 -0.8880 1.3824 1.3824 2.5521 2.5521 2.6377 2.6377 2.7324 2.7324 2.8293 2.8293 3.1805 3.1805 3.5383 3.5383 3.6070 3.6070 9.5469 9.5469 9.5702 9.5702 9.8864 9.8864 10.1265 10.1265 10.4554 10.4554 k = 0.3397 0.6003 0.4310 ( 12088 PWs) bands (ev): -14.8682 -14.8682 -14.8657 -14.8657 -13.8799 -13.8799 -13.5405 -13.5405 -12.4429 -12.4429 -11.9975 -11.9975 -3.7626 -3.7626 -3.5604 -3.5604 -2.9478 -2.9478 -2.6247 -2.6247 -2.3550 -2.3550 -2.1577 -2.1577 -1.9556 -1.9556 -1.8249 -1.8249 -1.3027 -1.3027 -0.8378 -0.8378 1.3330 1.3330 2.5611 2.5611 2.6506 2.6506 2.7410 2.7410 2.8113 2.8113 3.1765 3.1765 3.5269 3.5269 3.5975 3.5975 9.5883 9.5883 9.6092 9.6092 9.8394 9.8394 10.1371 10.1371 10.5168 10.5168 k = 0.3328 0.6177 0.4497 ( 12084 PWs) bands (ev): -14.8610 -14.8610 -14.8579 -14.8579 -13.8906 -13.8906 -13.5240 -13.5240 -12.4725 -12.4725 -11.9929 -11.9929 -3.7693 -3.7693 -3.5617 -3.5617 -2.9539 -2.9539 -2.6207 -2.6207 -2.3616 -2.3616 -2.1557 -2.1557 -1.9601 -1.9601 -1.8418 -1.8418 -1.3037 -1.3037 -0.7865 -0.7865 1.2844 1.2844 2.5653 2.5653 2.6684 2.6684 2.7504 2.7504 2.7936 2.7936 3.1723 3.1723 3.5153 3.5153 3.5873 3.5873 9.6234 9.6234 9.6408 9.6408 9.8009 9.8009 10.1495 10.1495 10.5752 10.5752 k = 0.3258 0.6351 0.4684 ( 12090 PWs) bands (ev): -14.8542 -14.8542 -14.8502 -14.8502 -13.9010 -13.9010 -13.5069 -13.5069 -12.5024 -12.5024 -11.9881 -11.9881 -3.7756 -3.7756 -3.5633 -3.5633 -2.9588 -2.9588 -2.6178 -2.6178 -2.3661 -2.3661 -2.1542 -2.1542 -1.9654 -1.9654 -1.8579 -1.8579 -1.3063 -1.3063 -0.7340 -0.7340 1.2364 1.2364 2.5660 2.5660 2.6895 2.6895 2.7605 2.7605 2.7764 2.7764 3.1681 3.1681 3.5037 3.5037 3.5763 3.5763 9.6465 9.6465 9.6603 9.6603 9.7813 9.7813 10.1643 10.1643 10.6288 10.6288 k = 0.3188 0.6525 0.4872 ( 12094 PWs) bands (ev): -14.8479 -14.8479 -14.8429 -14.8429 -13.9112 -13.9112 -13.4890 -13.4890 -12.5326 -12.5326 -11.9829 -11.9829 -3.7812 -3.7812 -3.5649 -3.5649 -2.9626 -2.9626 -2.6163 -2.6163 -2.3684 -2.3684 -2.1532 -2.1532 -1.9719 -1.9719 -1.8727 -1.8727 -1.3106 -1.3106 -0.6804 -0.6804 1.1891 1.1891 2.5646 2.5646 2.7125 2.7125 2.7590 2.7590 2.7721 2.7721 3.1640 3.1640 3.4921 3.4921 3.5646 3.5646 9.6373 9.6373 9.6796 9.6796 9.7897 9.7897 10.1815 10.1815 10.6764 10.6764 k = 0.3119 0.6699 0.5059 ( 12078 PWs) bands (ev): -14.8423 -14.8423 -14.8358 -14.8358 -13.9209 -13.9209 -13.4704 -13.4704 -12.5631 -12.5631 -11.9775 -11.9775 -3.7862 -3.7862 -3.5667 -3.5667 -2.9650 -2.9650 -2.6164 -2.6164 -2.3680 -2.3680 -2.1529 -2.1529 -1.9801 -1.9801 -1.8857 -1.8857 -1.3163 -1.3163 -0.6258 -0.6258 1.1426 1.1426 2.5617 2.5617 2.7348 2.7348 2.7447 2.7447 2.7837 2.7837 3.1602 3.1602 3.4804 3.4804 3.5523 3.5523 9.6095 9.6095 9.6963 9.6963 9.8156 9.8156 10.2009 10.2009 10.7171 10.7171 k = 0.3049 0.6873 0.5246 ( 12084 PWs) bands (ev): -14.8373 -14.8373 -14.8290 -14.8290 -13.9302 -13.9302 -13.4512 -13.4512 -12.5936 -12.5936 -11.9717 -11.9717 -3.7904 -3.7904 -3.5686 -3.5686 -2.9661 -2.9661 -2.6184 -2.6184 -2.3649 -2.3649 -2.1533 -2.1533 -1.9902 -1.9902 -1.8966 -1.8966 -1.3236 -1.3236 -0.5703 -0.5703 1.0967 1.0967 2.5579 2.5579 2.7263 2.7263 2.7623 2.7623 2.7964 2.7964 3.1567 3.1567 3.4687 3.4687 3.5393 3.5393 9.5775 9.5775 9.7082 9.7082 9.8477 9.8477 10.2218 10.2218 10.7505 10.7505 k = 0.2979 0.7047 0.5434 ( 12094 PWs) bands (ev): -14.8330 -14.8330 -14.8226 -14.8226 -13.9389 -13.9389 -13.4312 -13.4312 -12.6243 -12.6243 -11.9656 -11.9656 -3.7939 -3.7939 -3.5705 -3.5705 -2.9659 -2.9659 -2.6222 -2.6222 -2.3592 -2.3592 -2.1545 -2.1545 -2.0022 -2.0022 -1.9053 -1.9053 -1.3322 -1.3322 -0.5139 -0.5139 1.0514 1.0514 2.5535 2.5535 2.7117 2.7117 2.7868 2.7868 2.8101 2.8101 3.1536 3.1536 3.4570 3.4570 3.5258 3.5258 9.5462 9.5462 9.7161 9.7161 9.8816 9.8816 10.2433 10.2433 10.7763 10.7763 k = 0.2910 0.7221 0.5621 ( 12106 PWs) bands (ev): -14.8297 -14.8297 -14.8166 -14.8166 -13.9469 -13.9469 -13.4107 -13.4107 -12.6550 -12.6550 -11.9592 -11.9592 -3.7966 -3.7966 -3.5723 -3.5723 -2.9644 -2.9644 -2.6276 -2.6276 -2.3515 -2.3515 -2.1564 -2.1564 -2.0158 -2.0158 -1.9120 -1.9120 -1.3421 -1.3421 -0.4567 -0.4567 1.0067 1.0067 2.5487 2.5487 2.6976 2.6976 2.8110 2.8110 2.8250 2.8250 3.1511 3.1511 3.4453 3.4453 3.5117 3.5117 9.5171 9.5171 9.7208 9.7208 9.9155 9.9155 10.2646 10.2646 10.7948 10.7948 k = 0.2840 0.7395 0.5808 ( 12118 PWs) bands (ev): -14.8273 -14.8273 -14.8111 -14.8111 -13.9541 -13.9541 -13.3896 -13.3896 -12.6856 -12.6856 -11.9524 -11.9524 -3.7984 -3.7984 -3.5740 -3.5740 -2.9616 -2.9616 -2.6341 -2.6341 -2.3421 -2.3421 -2.1591 -2.1591 -2.0304 -2.0304 -1.9172 -1.9172 -1.3533 -1.3533 -0.3988 -0.3988 0.9625 0.9625 2.5434 2.5434 2.6845 2.6845 2.8333 2.8333 2.8424 2.8424 3.1491 3.1491 3.4337 3.4337 3.4972 3.4972 9.4911 9.4911 9.7232 9.7232 9.9487 9.9487 10.2851 10.2851 10.8061 10.8061 k = 0.2770 0.7569 0.5996 ( 12108 PWs) bands (ev): -14.8259 -14.8259 -14.8060 -14.8060 -13.9605 -13.9605 -13.3679 -13.3679 -12.7160 -12.7160 -11.9453 -11.9453 -3.7994 -3.7994 -3.5755 -3.5755 -2.9575 -2.9575 -2.6414 -2.6414 -2.3319 -2.3319 -2.1624 -2.1624 -2.0452 -2.0452 -1.9211 -1.9211 -1.3655 -1.3655 -0.3401 -0.3401 0.9188 0.9188 2.5380 2.5380 2.6723 2.6723 2.8520 2.8520 2.8637 2.8637 3.1478 3.1478 3.4221 3.4221 3.4824 3.4824 9.4685 9.4685 9.7240 9.7240 9.9805 9.9805 10.3043 10.3043 10.8110 10.8110 k = 0.2701 0.7743 0.6183 ( 12118 PWs) bands (ev): -14.8256 -14.8256 -14.8014 -14.8014 -13.9660 -13.9660 -13.3457 -13.3457 -12.7463 -12.7463 -11.9379 -11.9379 -3.7994 -3.7994 -3.5769 -3.5769 -2.9522 -2.9522 -2.6491 -2.6491 -2.3218 -2.3218 -2.1662 -2.1662 -2.0598 -2.0598 -1.9241 -1.9241 -1.3788 -1.3788 -0.2808 -0.2808 0.8753 0.8753 2.5324 2.5324 2.6610 2.6610 2.8694 2.8694 2.8866 2.8866 3.1471 3.1471 3.4106 3.4106 3.4673 3.4673 9.4495 9.4495 9.7237 9.7237 10.0103 10.0103 10.3219 10.3219 10.8101 10.8101 k = 0.2701 0.7743 0.6183 ( 12118 PWs) bands (ev): -14.8256 -14.8256 -14.8014 -14.8014 -13.9660 -13.9660 -13.3457 -13.3457 -12.7463 -12.7463 -11.9379 -11.9379 -3.7994 -3.7994 -3.5769 -3.5769 -2.9522 -2.9522 -2.6491 -2.6491 -2.3218 -2.3218 -2.1662 -2.1662 -2.0598 -2.0598 -1.9241 -1.9241 -1.3788 -1.3788 -0.2808 -0.2808 0.8753 0.8753 2.5324 2.5324 2.6610 2.6610 2.8694 2.8694 2.8866 2.8866 3.1471 3.1471 3.4106 3.4106 3.4673 3.4673 9.4495 9.4495 9.7237 9.7237 10.0103 10.0103 10.3219 10.3219 10.8101 10.8101 k = 0.2455 0.7697 0.6232 ( 12112 PWs) bands (ev): -14.8259 -14.8259 -14.8001 -14.8001 -13.9673 -13.9673 -13.3393 -13.3393 -12.7549 -12.7549 -11.9356 -11.9356 -3.7991 -3.7991 -3.5774 -3.5774 -2.9497 -2.9497 -2.6530 -2.6530 -2.3195 -2.3195 -2.1664 -2.1664 -2.0638 -2.0638 -1.9226 -1.9226 -1.3854 -1.3854 -0.2627 -0.2627 0.8628 0.8628 2.5315 2.5315 2.6580 2.6580 2.8744 2.8744 2.8908 2.8908 3.1494 3.1494 3.4074 3.4074 3.4625 3.4625 9.4460 9.4460 9.7218 9.7218 10.0176 10.0176 10.3231 10.3231 10.8176 10.8176 k = 0.2210 0.7652 0.6281 ( 12117 PWs) bands (ev): -14.8264 -14.8264 -14.7987 -14.7987 -13.9687 -13.9687 -13.3321 -13.3321 -12.7645 -12.7645 -11.9330 -11.9330 -3.7983 -3.7983 -3.5784 -3.5784 -2.9452 -2.9452 -2.6607 -2.6607 -2.3176 -2.3176 -2.1650 -2.1650 -2.0681 -2.0681 -1.9168 -1.9168 -1.3976 -1.3976 -0.2406 -0.2406 0.8481 0.8481 2.5317 2.5317 2.6545 2.6545 2.8797 2.8797 2.8918 2.8918 3.1565 3.1565 3.4036 3.4036 3.4558 3.4558 9.4447 9.4447 9.7162 9.7162 10.0244 10.0244 10.3185 10.3185 10.8414 10.8414 k = 0.1964 0.7606 0.6330 ( 12102 PWs) bands (ev): -14.8271 -14.8271 -14.7973 -14.7973 -13.9700 -13.9700 -13.3243 -13.3243 -12.7747 -12.7747 -11.9301 -11.9301 -3.7971 -3.7971 -3.5796 -3.5796 -2.9388 -2.9388 -2.6719 -2.6719 -2.3157 -2.3157 -2.1626 -2.1626 -2.0726 -2.0726 -1.9068 -1.9068 -1.4146 -1.4146 -0.2154 -0.2154 0.8317 0.8317 2.5330 2.5330 2.6510 2.6510 2.8827 2.8827 2.8921 2.8921 3.1679 3.1679 3.3996 3.3996 3.4474 3.4474 9.4456 9.4456 9.7071 9.7071 10.0305 10.0305 10.3097 10.3097 10.8798 10.8798 k = 0.1719 0.7561 0.6379 ( 12103 PWs) bands (ev): -14.8278 -14.8278 -14.7960 -14.7960 -13.9713 -13.9713 -13.3163 -13.3163 -12.7852 -12.7852 -11.9271 -11.9271 -3.7956 -3.7956 -3.5812 -3.5812 -2.9305 -2.9305 -2.6861 -2.6861 -2.3138 -2.3138 -2.1597 -2.1597 -2.0769 -2.0769 -1.8929 -1.8929 -1.4357 -1.4357 -0.1883 -0.1883 0.8143 0.8143 2.5352 2.5352 2.6475 2.6475 2.8789 2.8789 2.8966 2.8966 3.1830 3.1830 3.3954 3.3954 3.4373 3.4373 9.4488 9.4488 9.6946 9.6946 10.0358 10.0358 10.2989 10.2989 10.9302 10.9302 k = 0.1473 0.7515 0.6428 ( 12099 PWs) bands (ev): -14.8285 -14.8285 -14.7948 -14.7948 -13.9725 -13.9725 -13.3083 -13.3083 -12.7956 -12.7956 -11.9242 -11.9242 -3.7939 -3.7939 -3.5830 -3.5830 -2.9204 -2.9204 -2.7028 -2.7028 -2.3118 -2.3118 -2.1566 -2.1566 -2.0809 -2.0809 -1.8757 -1.8757 -1.4599 -1.4599 -0.1608 -0.1608 0.7964 0.7964 2.5381 2.5381 2.6443 2.6443 2.8716 2.8716 2.9027 2.9027 3.2007 3.2007 3.3912 3.3912 3.4256 3.4256 9.4544 9.4544 9.6794 9.6794 10.0402 10.0402 10.2880 10.2880 10.9898 10.9898 k = 0.1228 0.7470 0.6477 ( 12096 PWs) bands (ev): -14.8291 -14.8291 -14.7937 -14.7937 -13.9735 -13.9735 -13.3006 -13.3006 -12.8054 -12.8054 -11.9215 -11.9215 -3.7922 -3.7922 -3.5848 -3.5848 -2.9085 -2.9085 -2.7213 -2.7213 -2.3098 -2.3098 -2.1537 -2.1537 -2.0846 -2.0846 -1.8558 -1.8558 -1.4861 -1.4861 -0.1342 -0.1342 0.7788 0.7788 2.5414 2.5414 2.6414 2.6414 2.8632 2.8632 2.9088 2.9088 3.2203 3.2203 3.3872 3.3872 3.4124 3.4124 9.4622 9.4622 9.6618 9.6618 10.0439 10.0439 10.2782 10.2782 11.0563 11.0563 k = 0.0982 0.7424 0.6526 ( 12088 PWs) bands (ev): -14.8297 -14.8297 -14.7928 -14.7928 -13.9745 -13.9745 -13.2937 -13.2937 -12.8141 -12.8141 -11.9191 -11.9191 -3.7905 -3.7905 -3.5865 -3.5865 -2.8950 -2.8950 -2.7410 -2.7410 -2.3079 -2.3079 -2.1512 -2.1512 -2.0878 -2.0878 -1.8341 -1.8341 -1.5131 -1.5131 -0.1098 -0.1098 0.7625 0.7625 2.5448 2.5448 2.6390 2.6390 2.8548 2.8548 2.9144 2.9144 3.2410 3.2410 3.3833 3.3833 3.3980 3.3980 9.4720 9.4720 9.6429 9.6429 10.0467 10.0467 10.2702 10.2702 11.1274 11.1274 k = 0.0737 0.7379 0.6576 ( 12091 PWs) bands (ev): -14.8302 -14.8302 -14.7921 -14.7921 -13.9752 -13.9752 -13.2879 -13.2879 -12.8215 -12.8215 -11.9172 -11.9172 -3.7890 -3.7890 -3.5881 -3.5881 -2.8800 -2.8800 -2.7613 -2.7613 -2.3062 -2.3062 -2.1492 -2.1492 -2.0903 -2.0903 -1.8120 -1.8120 -1.5395 -1.5395 -0.0891 -0.0891 0.7484 0.7484 2.5480 2.5480 2.6370 2.6370 2.8473 2.8473 2.9190 2.9190 3.2621 3.2621 3.3775 3.3775 3.3847 3.3847 9.4834 9.4834 9.6236 9.6236 10.0488 10.0488 10.2641 10.2641 11.1992 11.1992 k = 0.0491 0.7333 0.6625 ( 12099 PWs) bands (ev): -14.8305 -14.8305 -14.7916 -14.7916 -13.9757 -13.9757 -13.2835 -13.2835 -12.8270 -12.8270 -11.9157 -11.9157 -3.7878 -3.7878 -3.5893 -3.5893 -2.8639 -2.8639 -2.7814 -2.7814 -2.3050 -2.3050 -2.1477 -2.1477 -2.0922 -2.0922 -1.7917 -1.7917 -1.5630 -1.5630 -0.0732 -0.0732 0.7375 0.7375 2.5506 2.5506 2.6357 2.6357 2.8414 2.8414 2.9224 2.9224 3.2833 3.2833 3.3627 3.3627 3.3799 3.3799 9.4954 9.4954 9.6056 9.6056 10.0502 10.0502 10.2598 10.2598 11.2533 11.2547 k = 0.0246 0.7288 0.6674 ( 12100 PWs) bands (ev): -14.8307 -14.8307 -14.7913 -14.7913 -13.9760 -13.9760 -13.2807 -13.2807 -12.8305 -12.8305 -11.9149 -11.9149 -3.7870 -3.7870 -3.5900 -3.5900 -2.8478 -2.8478 -2.8001 -2.8001 -2.3042 -2.3042 -2.1468 -2.1468 -2.0934 -2.0934 -1.7765 -1.7765 -1.5801 -1.5801 -0.0632 -0.0632 0.7305 0.7305 2.5523 2.5523 2.6348 2.6348 2.8376 2.8376 2.9246 2.9246 3.3041 3.3041 3.3446 3.3446 3.3782 3.3782 9.5058 9.5058 9.5915 9.5915 10.0511 10.0511 10.2574 10.2574 11.2600 11.2601 k = 0.0000 0.7242 0.6723 ( 12108 PWs) bands (ev): -14.8308 -14.8308 -14.7912 -14.7912 -13.9761 -13.9761 -13.2798 -13.2798 -12.8317 -12.8317 -11.9146 -11.9146 -3.7868 -3.7868 -3.5903 -3.5903 -2.8379 -2.8379 -2.8108 -2.8108 -2.3039 -2.3039 -2.1465 -2.1465 -2.0938 -2.0938 -1.7706 -1.7706 -1.5865 -1.5865 -0.0597 -0.0597 0.7282 0.7282 2.5529 2.5529 2.6346 2.6346 2.8364 2.8364 2.9253 2.9253 3.3212 3.3212 3.3284 3.3284 3.3777 3.3777 9.5102 9.5102 9.5857 9.5857 10.0513 10.0513 10.2566 10.2566 11.2608 11.2608 k = 0.0000 0.7242 0.6723 ( 12108 PWs) bands (ev): -14.8308 -14.8308 -14.7912 -14.7912 -13.9761 -13.9761 -13.2798 -13.2798 -12.8317 -12.8317 -11.9146 -11.9146 -3.7868 -3.7868 -3.5903 -3.5903 -2.8379 -2.8379 -2.8108 -2.8108 -2.3039 -2.3039 -2.1465 -2.1465 -2.0938 -2.0938 -1.7706 -1.7706 -1.5865 -1.5865 -0.0597 -0.0597 0.7282 0.7282 2.5529 2.5529 2.6346 2.6346 2.8364 2.8364 2.9253 2.9253 3.3212 3.3212 3.3284 3.3284 3.3777 3.3777 9.5102 9.5102 9.5857 9.5857 10.0513 10.0513 10.2566 10.2566 11.2608 11.2609 k = 0.0069 0.7069 0.6909 ( 12104 PWs) bands (ev): -14.8307 -14.8307 -14.7911 -14.7911 -13.9756 -13.9756 -13.2799 -13.2799 -12.8315 -12.8315 -11.9154 -11.9154 -3.7875 -3.7875 -3.5906 -3.5906 -2.8393 -2.8393 -2.8125 -2.8125 -2.3007 -2.3007 -2.1465 -2.1465 -2.0940 -2.0940 -1.7734 -1.7734 -1.5846 -1.5846 -0.0598 -0.0598 0.7285 0.7285 2.5528 2.5528 2.6337 2.6337 2.8366 2.8366 2.9260 2.9260 3.3179 3.3179 3.3289 3.3289 3.3813 3.3813 9.5127 9.5127 9.5872 9.5872 10.0547 10.0547 10.2594 10.2594 11.2555 11.2555 k = 0.0139 0.6895 0.7096 ( 12104 PWs) bands (ev): -14.8303 -14.8303 -14.7908 -14.7908 -13.9740 -13.9740 -13.2802 -13.2802 -12.8311 -12.8311 -11.9177 -11.9177 -3.7897 -3.7897 -3.5914 -3.5914 -2.8438 -2.8438 -2.8168 -2.8168 -2.2919 -2.2919 -2.1463 -2.1463 -2.0945 -2.0945 -1.7814 -1.7814 -1.5792 -1.5792 -0.0601 -0.0601 0.7297 0.7297 2.5525 2.5525 2.6311 2.6311 2.8372 2.8372 2.9281 2.9281 3.3099 3.3099 3.3301 3.3301 3.3903 3.3903 9.5203 9.5203 9.5917 9.5917 10.0648 10.0648 10.2680 10.2680 11.2399 11.2399 k = 0.0208 0.6722 0.7283 ( 12118 PWs) bands (ev): -14.8296 -14.8296 -14.7904 -14.7904 -13.9714 -13.9714 -13.2807 -13.2807 -12.8304 -12.8304 -11.9217 -11.9217 -3.7932 -3.7932 -3.5929 -3.5929 -2.8524 -2.8524 -2.8221 -2.8221 -2.2799 -2.2799 -2.1453 -2.1453 -2.0942 -2.0942 -1.7936 -1.7936 -1.5711 -1.5711 -0.0605 -0.0605 0.7317 0.7317 2.5522 2.5522 2.6267 2.6267 2.8382 2.8382 2.9315 2.9315 3.3001 3.3001 3.3321 3.3321 3.4020 3.4020 9.5328 9.5328 9.5990 9.5990 10.0817 10.0817 10.2822 10.2822 11.2151 11.2151 k = 0.0278 0.6549 0.7470 ( 12110 PWs) bands (ev): -14.8288 -14.8288 -14.7897 -14.7897 -13.9678 -13.9678 -13.2815 -13.2815 -12.8294 -12.8294 -11.9272 -11.9272 -3.7980 -3.7980 -3.5949 -3.5949 -2.8652 -2.8652 -2.8270 -2.8270 -2.2680 -2.2680 -2.1435 -2.1435 -2.0909 -2.0909 -1.8088 -1.8088 -1.5616 -1.5616 -0.0612 -0.0612 0.7344 0.7344 2.5518 2.5518 2.6204 2.6204 2.8397 2.8397 2.9361 2.9361 3.2898 3.2898 3.3348 3.3348 3.4150 3.4150 9.5502 9.5502 9.6091 9.6091 10.1056 10.1056 10.3022 10.3022 11.1825 11.1825 k = 0.0347 0.6375 0.7656 ( 12106 PWs) bands (ev): -14.8276 -14.8276 -14.7889 -14.7889 -13.9631 -13.9631 -13.2824 -13.2824 -12.8281 -12.8281 -11.9342 -11.9342 -3.8041 -3.8041 -3.5977 -3.5977 -2.8812 -2.8812 -2.8315 -2.8315 -2.2601 -2.2601 -2.1431 -2.1431 -2.0799 -2.0799 -1.8260 -1.8260 -1.5512 -1.5512 -0.0620 -0.0620 0.7379 0.7379 2.5515 2.5515 2.6121 2.6121 2.8416 2.8416 2.9417 2.9417 3.2798 3.2798 3.3382 3.3382 3.4285 3.4285 9.5722 9.5722 9.6216 9.6216 10.1366 10.1366 10.3279 10.3279 11.1435 11.1435 k = 0.0417 0.6202 0.7843 ( 12100 PWs) bands (ev): -14.8263 -14.8263 -14.7879 -14.7879 -13.9574 -13.9574 -13.2836 -13.2836 -12.8266 -12.8266 -11.9427 -11.9427 -3.8114 -3.8114 -3.6011 -3.6011 -2.8992 -2.8992 -2.8358 -2.8358 -2.2580 -2.2580 -2.1464 -2.1464 -2.0580 -2.0580 -1.8442 -1.8442 -1.5407 -1.5407 -0.0632 -0.0632 0.7421 0.7421 2.5513 2.5513 2.6016 2.6016 2.8440 2.8440 2.9483 2.9483 3.2706 3.2706 3.3424 3.3424 3.4422 3.4422 9.5987 9.5987 9.6364 9.6364 10.1749 10.1749 10.3593 10.3593 11.0998 11.0998 k = 0.0486 0.6029 0.8030 ( 12102 PWs) bands (ev): -14.8247 -14.8247 -14.7868 -14.7868 -13.9507 -13.9507 -13.2850 -13.2850 -12.8247 -12.8247 -11.9527 -11.9527 -3.8196 -3.8196 -3.6052 -3.6052 -2.9183 -2.9183 -2.8401 -2.8401 -2.2616 -2.2616 -2.1536 -2.1536 -2.0264 -2.0264 -1.8628 -1.8628 -1.5302 -1.5302 -0.0647 -0.0647 0.7471 0.7471 2.5515 2.5515 2.5889 2.5889 2.8470 2.8470 2.9557 2.9557 3.2622 3.2622 3.3472 3.3472 3.4558 3.4558 9.6293 9.6293 9.6534 9.6534 10.2206 10.2206 10.3964 10.3964 11.0527 11.0527 k = 0.0556 0.5855 0.8217 ( 12100 PWs) bands (ev): -14.8229 -14.8229 -14.7855 -14.7855 -13.9430 -13.9430 -13.2867 -13.2867 -12.8225 -12.8225 -11.9642 -11.9642 -3.8288 -3.8288 -3.6101 -3.6101 -2.9378 -2.9378 -2.8443 -2.8443 -2.2695 -2.2695 -2.1635 -2.1635 -1.9890 -1.9890 -1.8805 -1.8805 -1.5199 -1.5199 -0.0666 -0.0666 0.7528 0.7528 2.5521 2.5521 2.5737 2.5737 2.8505 2.8505 2.9636 2.9636 3.2548 3.2548 3.3527 3.3527 3.4693 3.4693 9.6629 9.6629 9.6732 9.6732 10.2737 10.2737 10.4390 10.4390 11.0037 11.0037 k = 0.0625 0.5682 0.8403 ( 12102 PWs) bands (ev): -14.8208 -14.8208 -14.7841 -14.7841 -13.9344 -13.9344 -13.2886 -13.2886 -12.8200 -12.8200 -11.9770 -11.9770 -3.8387 -3.8387 -3.6158 -3.6158 -2.9575 -2.9575 -2.8484 -2.8484 -2.2807 -2.2807 -2.1751 -2.1751 -1.9523 -1.9523 -1.8934 -1.8934 -1.5095 -1.5095 -0.0690 -0.0690 0.7593 0.7593 2.5519 2.5519 2.5572 2.5572 2.8547 2.8547 2.9720 2.9720 3.2483 3.2483 3.3589 3.3589 3.4825 3.4825 9.6902 9.6902 9.7045 9.7045 10.3344 10.3344 10.4869 10.4869 10.9541 10.9541 k = 0.0694 0.5509 0.8590 ( 12102 PWs) bands (ev): -14.8186 -14.8186 -14.7825 -14.7825 -13.9248 -13.9248 -13.2908 -13.2908 -12.8172 -12.8172 -11.9911 -11.9911 -3.8491 -3.8491 -3.6224 -3.6224 -2.9771 -2.9771 -2.8521 -2.8521 -2.2945 -2.2945 -2.1877 -2.1877 -1.9387 -1.9387 -1.8809 -1.8809 -1.4986 -1.4986 -0.0718 -0.0718 0.7666 0.7666 2.5348 2.5348 2.5559 2.5559 2.8595 2.8595 2.9806 2.9806 3.2428 3.2428 3.3656 3.3656 3.4955 3.4955 9.7125 9.7125 9.7455 9.7455 10.4026 10.4026 10.5391 10.5391 10.9056 10.9056 k = 0.0764 0.5335 0.8777 ( 12098 PWs) bands (ev): -14.8162 -14.8162 -14.7808 -14.7808 -13.9144 -13.9144 -13.2932 -13.2932 -12.8140 -12.8140 -12.0065 -12.0065 -3.8600 -3.8600 -3.6297 -3.6297 -2.9965 -2.9965 -2.8554 -2.8554 -2.3108 -2.3108 -2.2004 -2.2004 -1.9507 -1.9507 -1.8425 -1.8425 -1.4864 -1.4864 -0.0751 -0.0751 0.7747 0.7747 2.5118 2.5118 2.5584 2.5584 2.8650 2.8650 2.9895 2.9895 3.2379 3.2379 3.3728 3.3728 3.5080 3.5080 9.7357 9.7357 9.7898 9.7898 10.4781 10.4781 10.5936 10.5936 10.8612 10.8612 k = 0.0833 0.5162 0.8964 ( 12104 PWs) bands (ev): -14.8137 -14.8137 -14.7791 -14.7791 -13.9030 -13.9030 -13.2960 -13.2960 -12.8105 -12.8105 -12.0231 -12.0231 -3.8712 -3.8712 -3.6380 -3.6380 -3.0158 -3.0158 -2.8581 -2.8581 -2.3293 -2.3293 -2.2128 -2.2128 -1.9675 -1.9675 -1.8008 -1.8008 -1.4717 -1.4717 -0.0790 -0.0790 0.7835 0.7835 2.4862 2.4862 2.5620 2.5620 2.8710 2.8710 2.9983 2.9983 3.2337 3.2337 3.3806 3.3806 3.5202 3.5202 9.7601 9.7601 9.8367 9.8367 10.5606 10.5606 10.6429 10.6429 10.8287 10.8287 k = 0.0903 0.4989 0.9150 ( 12114 PWs) bands (ev): -14.8110 -14.8110 -14.7772 -14.7772 -13.8908 -13.8908 -13.2990 -13.2990 -12.8066 -12.8066 -12.0409 -12.0409 -3.8825 -3.8825 -3.6470 -3.6470 -3.0349 -3.0349 -2.8600 -2.8600 -2.3498 -2.3498 -2.2244 -2.2244 -1.9850 -1.9850 -1.7621 -1.7621 -1.4528 -1.4528 -0.0835 -0.0835 0.7933 0.7933 2.4581 2.4581 2.5666 2.5666 2.8777 2.8777 3.0071 3.0071 3.2298 3.2298 3.3888 3.3888 3.5320 3.5320 9.7856 9.7856 9.8854 9.8854 10.6486 10.6486 10.6669 10.6669 10.8295 10.8295 k = 0.0972 0.4815 0.9337 ( 12110 PWs) bands (ev): -14.8082 -14.8082 -14.7753 -14.7753 -13.8778 -13.8778 -13.3024 -13.3024 -12.8024 -12.8024 -12.0597 -12.0597 -3.8939 -3.8939 -3.6568 -3.6568 -3.0540 -3.0540 -2.8610 -2.8610 -2.3720 -2.3720 -2.2348 -2.2348 -2.0024 -2.0024 -1.7292 -1.7292 -1.4280 -1.4280 -0.0887 -0.0887 0.8039 0.8039 2.4276 2.4276 2.5721 2.5721 2.8848 2.8848 3.0158 3.0158 3.2260 3.2260 3.3975 3.3975 3.5433 3.5433 9.8122 9.8122 9.9355 9.9355 10.6491 10.6491 10.7454 10.7454 10.8760 10.8760 k = 0.1042 0.4642 0.9524 ( 12112 PWs) bands (ev): -14.8052 -14.8052 -14.7733 -14.7733 -13.8640 -13.8640 -13.3061 -13.3061 -12.7977 -12.7977 -12.0795 -12.0795 -3.9050 -3.9050 -3.6674 -3.6674 -3.0729 -3.0729 -2.8610 -2.8610 -2.3958 -2.3958 -2.2441 -2.2441 -2.0195 -2.0195 -1.7042 -1.7042 -1.3961 -1.3961 -0.0945 -0.0945 0.8155 0.8155 2.3948 2.3948 2.5787 2.5787 2.8923 2.8923 3.0242 3.0242 3.2222 3.2222 3.4065 3.4065 3.5542 3.5542 9.8400 9.8400 9.9865 9.9865 10.6151 10.6151 10.8448 10.8448 10.9459 10.9459 k = 0.1111 0.4468 0.9710 ( 12106 PWs) bands (ev): -14.8022 -14.8022 -14.7713 -14.7713 -13.8495 -13.8495 -13.3102 -13.3102 -12.7926 -12.7926 -12.1002 -12.1002 -3.9160 -3.9160 -3.6787 -3.6787 -3.0916 -3.0916 -2.8600 -2.8600 -2.4208 -2.4208 -2.2521 -2.2521 -2.0359 -2.0359 -1.6875 -1.6875 -1.3568 -1.3568 -0.1011 -0.1011 0.8282 0.8282 2.3599 2.3599 2.5864 2.5864 2.9001 2.9001 3.0324 3.0324 3.2183 3.2183 3.4157 3.4157 3.5645 3.5645 9.8688 9.8688 10.0379 10.0379 10.5769 10.5769 10.9453 10.9453 11.0222 11.0222 k = 0.1181 0.4295 0.9897 ( 12108 PWs) bands (ev): -14.7991 -14.7991 -14.7693 -14.7693 -13.8344 -13.8344 -13.3146 -13.3146 -12.7871 -12.7871 -12.1217 -12.1217 -3.9266 -3.9266 -3.6906 -3.6906 -3.1102 -3.1102 -2.8578 -2.8578 -2.4466 -2.4466 -2.2591 -2.2591 -2.0516 -2.0516 -1.6783 -1.6783 -1.3114 -1.3114 -0.1083 -0.1083 0.8420 0.8420 2.3231 2.3231 2.5951 2.5951 2.9081 2.9081 3.0402 3.0402 3.2140 3.2140 3.4253 3.4253 3.5743 3.5743 9.8986 9.8986 10.0890 10.0890 10.5388 10.5388 11.0377 11.0377 11.0924 11.0924 k = 0.1250 0.4122 1.0084 ( 12094 PWs) bands (ev): -14.7959 -14.7959 -14.7673 -14.7673 -13.8186 -13.8186 -13.3195 -13.3195 -12.7811 -12.7811 -12.1440 -12.1440 -3.9367 -3.9367 -3.7031 -3.7031 -3.1286 -3.1286 -2.8546 -2.8546 -2.4729 -2.4729 -2.2652 -2.2652 -2.0662 -2.0662 -1.6752 -1.6752 -1.2614 -1.2614 -0.1163 -0.1163 0.8571 0.8571 2.2845 2.2845 2.6048 2.6048 2.9163 2.9163 3.0476 3.0476 3.2092 3.2092 3.4350 3.4350 3.5834 3.5834 9.9293 9.9293 10.1393 10.1393 10.5026 10.5026 11.1009 11.1009 11.1382 11.1382 k = 0.1319 0.3948 1.0271 ( 12090 PWs) bands (ev): -14.7927 -14.7927 -14.7654 -14.7654 -13.8022 -13.8022 -13.3248 -13.3248 -12.7746 -12.7746 -12.1669 -12.1669 -3.9463 -3.9463 -3.7160 -3.7160 -3.1465 -3.1465 -2.8504 -2.8504 -2.4994 -2.4994 -2.2707 -2.2707 -2.0795 -2.0795 -1.6771 -1.6771 -1.2084 -1.2084 -0.1251 -0.1251 0.8735 0.8735 2.2443 2.2443 2.6155 2.6155 2.9244 2.9244 3.0545 3.0545 3.2039 3.2039 3.4449 3.4449 3.5919 3.5919 9.9608 9.9608 10.1883 10.1883 10.4690 10.4690 11.1145 11.1145 11.1575 11.1575 k = 0.1389 0.3775 1.0457 ( 12100 PWs) bands (ev): -14.7895 -14.7895 -14.7634 -14.7634 -13.7853 -13.7853 -13.3305 -13.3305 -12.7676 -12.7676 -12.1903 -12.1903 -3.9553 -3.9553 -3.7292 -3.7292 -3.1641 -3.1641 -2.8452 -2.8452 -2.5258 -2.5258 -2.2759 -2.2759 -2.0913 -2.0913 -1.6827 -1.6827 -1.1536 -1.1536 -0.1346 -0.1346 0.8914 0.8914 2.2025 2.2025 2.6272 2.6272 2.9324 2.9324 3.0610 3.0610 3.1980 3.1980 3.4549 3.4549 3.5997 3.5997 9.9929 9.9929 10.2354 10.2354 10.4385 10.4385 11.0916 11.0916 11.1706 11.1706 k = 0.1458 0.3602 1.0644 ( 12108 PWs) bands (ev): -14.7863 -14.7863 -14.7616 -14.7616 -13.7680 -13.7680 -13.3367 -13.3367 -12.7600 -12.7600 -12.2142 -12.2142 -3.9636 -3.9636 -3.7426 -3.7426 -3.1810 -3.1810 -2.8392 -2.8392 -2.5519 -2.5519 -2.2811 -2.2811 -2.1011 -2.1011 -1.6912 -1.6912 -1.0980 -1.0980 -0.1449 -0.1449 0.9109 0.9109 2.1593 2.1593 2.6398 2.6398 2.9402 2.9402 3.0668 3.0668 3.1915 3.1915 3.4650 3.4650 3.6067 3.6067 10.0257 10.0257 10.2800 10.2800 10.4115 10.4115 11.0561 11.0561 11.1798 11.1798 k = 0.1528 0.3428 1.0831 ( 12106 PWs) bands (ev): -14.7831 -14.7831 -14.7598 -14.7598 -13.7502 -13.7502 -13.3434 -13.3434 -12.7519 -12.7519 -12.2385 -12.2385 -3.9713 -3.9713 -3.7562 -3.7562 -3.1973 -3.1973 -2.8324 -2.8324 -2.5775 -2.5775 -2.2867 -2.2867 -2.1087 -2.1087 -1.7020 -1.7020 -1.0425 -1.0425 -0.1560 -0.1560 0.9320 0.9320 2.1148 2.1148 2.6533 2.6533 2.9475 2.9475 3.0721 3.0721 3.1846 3.1846 3.4752 3.4752 3.6129 3.6129 10.0589 10.0589 10.3215 10.3215 10.3884 10.3884 11.0159 11.0159 11.1877 11.1877 k = 0.1597 0.3255 1.1018 ( 12108 PWs) bands (ev): -14.7800 -14.7800 -14.7581 -14.7581 -13.7322 -13.7322 -13.3506 -13.3506 -12.7431 -12.7431 -12.2629 -12.2629 -3.9783 -3.9783 -3.7697 -3.7697 -3.2128 -3.2128 -2.8250 -2.8250 -2.6023 -2.6023 -2.2930 -2.2930 -2.1137 -2.1137 -1.7147 -1.7147 -0.9875 -0.9875 -0.1679 -0.1679 0.9550 0.9550 2.0692 2.0692 2.6676 2.6676 2.9543 2.9543 3.0766 3.0766 3.1773 3.1773 3.4853 3.4853 3.6182 3.6182 10.0924 10.0924 10.3570 10.3570 10.3714 10.3714 10.9735 10.9735 11.1961 11.1961 k = 0.1667 0.3082 1.1204 ( 12116 PWs) bands (ev): -14.7769 -14.7769 -14.7565 -14.7565 -13.7139 -13.7139 -13.3584 -13.3584 -12.7338 -12.7338 -12.2876 -12.2876 -3.9846 -3.9846 -3.7830 -3.7830 -3.2274 -3.2274 -2.8170 -2.8170 -2.6262 -2.6262 -2.3000 -2.3000 -2.1161 -2.1161 -1.7289 -1.7289 -0.9336 -0.9336 -0.1807 -0.1807 0.9799 0.9799 2.0226 2.0226 2.6825 2.6825 2.9604 2.9604 3.0803 3.0803 3.1698 3.1698 3.4955 3.4955 3.6226 3.6226 10.1260 10.1260 10.3515 10.3515 10.3953 10.3953 10.9300 10.9300 11.2057 11.2057 k = 0.1736 0.2908 1.1391 ( 12114 PWs) bands (ev): -14.7740 -14.7740 -14.7551 -14.7551 -13.6954 -13.6954 -13.3667 -13.3667 -12.7237 -12.7237 -12.3123 -12.3123 -3.9901 -3.9901 -3.7961 -3.7961 -3.2410 -3.2410 -2.8087 -2.8087 -2.6490 -2.6490 -2.3079 -2.3079 -2.1158 -2.1158 -1.7443 -1.7443 -0.8811 -0.8811 -0.1943 -0.1943 1.0068 1.0068 1.9751 1.9751 2.6982 2.6982 2.9655 2.9655 3.0832 3.0832 3.1625 3.1625 3.5055 3.5055 3.6260 3.6260 10.1596 10.1596 10.3401 10.3401 10.4248 10.4248 10.8861 10.8861 11.2172 11.2172 k = 0.1806 0.2735 1.1578 ( 12122 PWs) bands (ev): -14.7711 -14.7711 -14.7538 -14.7538 -13.6767 -13.6767 -13.3756 -13.3756 -12.7130 -12.7130 -12.3369 -12.3369 -3.9949 -3.9949 -3.8087 -3.8087 -3.2536 -3.2536 -2.8002 -2.8002 -2.6704 -2.6704 -2.3165 -2.3165 -2.1130 -2.1130 -1.7606 -1.7606 -0.8303 -0.8303 -0.2087 -0.2087 1.0357 1.0357 1.9269 1.9269 2.7144 2.7144 2.9695 2.9695 3.0851 3.0851 3.1555 3.1555 3.5155 3.5155 3.6284 3.6284 10.1929 10.1929 10.3324 10.3324 10.4499 10.4499 10.8421 10.8421 11.2306 11.2306 k = 0.1875 0.2562 1.1765 ( 12126 PWs) bands (ev): -14.7684 -14.7684 -14.7527 -14.7527 -13.6581 -13.6581 -13.3851 -13.3851 -12.7015 -12.7015 -12.3614 -12.3614 -3.9991 -3.9991 -3.8207 -3.8207 -3.2650 -3.2650 -2.7916 -2.7916 -2.6904 -2.6904 -2.3256 -2.3256 -2.1078 -2.1078 -1.7776 -1.7776 -0.7814 -0.7814 -0.2240 -0.2240 1.0667 1.0667 1.8779 1.8779 2.7310 2.7310 2.9720 2.9720 3.0859 3.0859 3.1494 3.1494 3.5254 3.5254 3.6299 3.6299 10.2256 10.2256 10.3286 10.3286 10.4704 10.4704 10.7984 10.7984 11.2460 11.2460 k = 0.1944 0.2388 1.1951 ( 12128 PWs) bands (ev): -14.7658 -14.7658 -14.7517 -14.7517 -13.6395 -13.6395 -13.3953 -13.3953 -12.6893 -12.6893 -12.3857 -12.3857 -4.0026 -4.0026 -3.8320 -3.8320 -3.2752 -3.2752 -2.7832 -2.7832 -2.7088 -2.7088 -2.3349 -2.3349 -2.1006 -2.1006 -1.7951 -1.7951 -0.7347 -0.7347 -0.2402 -0.2402 1.0998 1.0998 1.8285 1.8285 2.7481 2.7481 2.9727 2.9727 3.0858 3.0858 3.1443 3.1443 3.5351 3.5351 3.6304 3.6304 10.2577 10.2577 10.3287 10.3287 10.4861 10.4861 10.7552 10.7552 11.2631 11.2631 k = 0.2014 0.2215 1.2138 ( 12124 PWs) bands (ev): -14.7633 -14.7633 -14.7510 -14.7510 -13.6210 -13.6210 -13.4061 -13.4061 -12.6763 -12.6763 -12.4096 -12.4096 -4.0054 -4.0054 -3.8425 -3.8425 -3.2843 -3.2843 -2.7752 -2.7752 -2.7253 -2.7253 -2.3441 -2.3441 -2.0917 -2.0917 -1.8128 -1.8128 -0.6903 -0.6903 -0.2574 -0.2574 1.1350 1.1350 1.7787 1.7787 2.7653 2.7653 2.9714 2.9714 3.0849 3.0849 3.1404 3.1404 3.5446 3.5446 3.6299 3.6299 10.2888 10.2888 10.3327 10.3327 10.4970 10.4970 10.7128 10.7128 11.2817 11.2817 k = 0.2083 0.2042 1.2325 ( 12126 PWs) bands (ev): -14.7610 -14.7610 -14.7504 -14.7504 -13.6026 -13.6026 -13.4176 -13.4176 -12.6625 -12.6625 -12.4332 -12.4332 -4.0077 -4.0077 -3.8519 -3.8519 -3.2921 -3.2921 -2.7679 -2.7679 -2.7397 -2.7397 -2.3528 -2.3528 -2.0816 -2.0816 -1.8305 -1.8305 -0.6485 -0.6485 -0.2754 -0.2754 1.1722 1.1722 1.7287 1.7287 2.7827 2.7827 2.9677 2.9677 3.0837 3.0837 3.1377 3.1377 3.5539 3.5539 3.6285 3.6285 10.3187 10.3187 10.3406 10.3406 10.5035 10.5035 10.6715 10.6715 11.3013 11.3013 k = 0.2153 0.1868 1.2512 ( 12128 PWs) bands (ev): -14.7590 -14.7590 -14.7500 -14.7500 -13.5846 -13.5846 -13.4297 -13.4297 -12.6478 -12.6478 -12.4562 -12.4562 -4.0094 -4.0094 -3.8602 -3.8602 -3.2987 -3.2987 -2.7627 -2.7627 -2.7506 -2.7506 -2.3609 -2.3609 -2.0705 -2.0705 -1.8477 -1.8477 -0.6093 -0.6093 -0.2942 -0.2942 1.2113 1.2113 1.6786 1.6786 2.8000 2.8000 2.9618 2.9618 3.0824 3.0824 3.1359 3.1359 3.5629 3.5629 3.6262 3.6262 10.3464 10.3464 10.3528 10.3528 10.5057 10.5057 10.6315 10.6315 11.3217 11.3217 k = 0.2222 0.1695 1.2698 ( 12120 PWs) bands (ev): -14.7571 -14.7571 -14.7499 -14.7499 -13.5668 -13.5668 -13.4425 -13.4425 -12.6323 -12.6323 -12.4787 -12.4787 -4.0107 -4.0107 -3.8672 -3.8672 -3.3041 -3.3041 -2.7661 -2.7661 -2.7517 -2.7517 -2.3679 -2.3679 -2.0592 -2.0592 -1.8640 -1.8640 -0.5731 -0.5731 -0.3137 -0.3137 1.2523 1.2523 1.6287 1.6287 2.8169 2.8169 2.9538 2.9538 3.0814 3.0814 3.1348 3.1348 3.5716 3.5716 3.6230 3.6230 10.3659 10.3659 10.3752 10.3752 10.5039 10.5039 10.5931 10.5931 11.3423 11.3424 k = 0.2292 0.1522 1.2885 ( 12110 PWs) bands (ev): -14.7554 -14.7554 -14.7500 -14.7500 -13.5494 -13.5494 -13.4559 -13.4559 -12.6160 -12.6160 -12.5006 -12.5006 -4.0117 -4.0117 -3.8728 -3.8728 -3.3083 -3.3083 -2.7734 -2.7734 -2.7477 -2.7477 -2.3737 -2.3737 -2.0482 -2.0482 -1.8788 -1.8788 -0.5403 -0.5403 -0.3334 -0.3334 1.2948 1.2948 1.5791 1.5791 2.8331 2.8331 2.9443 2.9443 3.0807 3.0807 3.1341 3.1341 3.5798 3.5798 3.6190 3.6190 10.3845 10.3845 10.3999 10.3999 10.4983 10.4983 10.5564 10.5564 11.3629 11.3630 k = 0.2361 0.1348 1.3072 ( 12110 PWs) bands (ev): -14.7539 -14.7539 -14.7503 -14.7503 -13.5325 -13.5325 -13.4700 -13.4700 -12.5988 -12.5988 -12.5218 -12.5218 -4.0122 -4.0122 -3.8769 -3.8769 -3.3113 -3.3113 -2.7792 -2.7792 -2.7443 -2.7443 -2.3780 -2.3780 -2.0387 -2.0387 -1.8911 -1.8911 -0.5122 -0.5122 -0.3522 -0.3522 1.3388 1.3388 1.5301 1.5301 2.8477 2.8477 2.9343 2.9343 3.0804 3.0804 3.1337 3.1337 3.5877 3.5877 3.6142 3.6142 10.4061 10.4061 10.4228 10.4228 10.4891 10.4891 10.5219 10.5219 11.3830 11.3830 k = 0.2431 0.1175 1.3259 ( 12102 PWs) bands (ev): -14.7527 -14.7527 -14.7509 -14.7509 -13.5160 -13.5160 -13.4848 -13.4848 -12.5808 -12.5808 -12.5422 -12.5422 -4.0126 -4.0126 -3.8794 -3.8794 -3.3131 -3.3131 -2.7827 -2.7827 -2.7421 -2.7421 -2.3806 -2.3806 -2.0320 -2.0320 -1.8994 -1.8994 -0.4913 -0.4913 -0.3674 -0.3674 1.3835 1.3835 1.4823 1.4823 2.8590 2.8590 2.9257 2.9257 3.0802 3.0802 3.1336 3.1336 3.5948 3.5948 3.6088 3.6088 10.4305 10.4305 10.4432 10.4432 10.4765 10.4765 10.4901 10.4901 11.4011 11.4011 k = 0.2500 0.1002 1.3445 ( 12100 PWs) bands (ev): -14.7517 -14.7517 -14.7517 -14.7517 -13.5002 -13.5002 -13.5000 -13.5000 -12.5620 -12.5620 -12.5618 -12.5618 -4.0127 -4.0127 -3.8803 -3.8803 -3.3136 -3.3136 -2.7839 -2.7839 -2.7413 -2.7413 -2.3815 -2.3815 -2.0295 -2.0295 -1.9025 -1.9025 -0.4831 -0.4831 -0.3737 -0.3737 1.4183 1.4183 1.4465 1.4465 2.8636 2.8636 2.9219 2.9219 3.0801 3.0801 3.1335 3.1335 3.5997 3.5997 3.6046 3.6046 10.4560 10.4560 10.4570 10.4570 10.4578 10.4578 10.4696 10.4696 11.4108 11.4110 k = 0.2500 0.1002 1.3445 ( 12100 PWs) bands (ev): -14.7517 -14.7517 -14.7517 -14.7517 -13.5002 -13.5002 -13.5000 -13.5000 -12.5620 -12.5620 -12.5618 -12.5618 -4.0127 -4.0127 -3.8803 -3.8803 -3.3136 -3.3136 -2.7839 -2.7839 -2.7413 -2.7413 -2.3815 -2.3815 -2.0295 -2.0295 -1.9025 -1.9025 -0.4831 -0.4831 -0.3737 -0.3737 1.4183 1.4183 1.4465 1.4465 2.8636 2.8636 2.9219 2.9219 3.0801 3.0801 3.1335 3.1335 3.5997 3.5997 3.6046 3.6046 10.4560 10.4560 10.4570 10.4570 10.4578 10.4578 10.4696 10.4696 11.4108 11.4114 k = 0.2727 0.1093 1.3347 ( 12104 PWs) bands (ev): -14.7520 -14.7520 -14.7514 -14.7514 -13.5055 -13.5055 -13.4948 -13.4948 -12.5685 -12.5685 -12.5552 -12.5552 -4.0121 -4.0121 -3.8811 -3.8811 -3.3119 -3.3119 -2.8059 -2.8059 -2.7193 -2.7193 -2.3813 -2.3813 -2.0301 -2.0301 -1.9035 -1.9035 -0.4834 -0.4834 -0.3734 -0.3734 1.4110 1.4110 1.4539 1.4539 2.8635 2.8635 2.9226 2.9226 3.0797 3.0797 3.1327 3.1327 3.5989 3.5989 3.6057 3.6057 10.4233 10.4233 10.4452 10.4452 10.4834 10.4834 10.4908 10.4908 11.4080 11.4086 k = 0.2955 0.1184 1.3249 ( 12104 PWs) bands (ev): -14.7523 -14.7523 -14.7512 -14.7512 -13.5101 -13.5101 -13.4905 -13.4905 -12.5737 -12.5737 -12.5495 -12.5495 -4.0104 -4.0104 -3.8834 -3.8834 -3.3067 -3.3067 -2.8407 -2.8407 -2.6844 -2.6844 -2.3804 -2.3804 -2.0320 -2.0320 -1.9065 -1.9065 -0.4838 -0.4838 -0.3731 -0.3731 1.4001 1.4001 1.4655 1.4655 2.8637 2.8637 2.9243 2.9243 3.0784 3.0784 3.1305 3.1305 3.5979 3.5979 3.6078 3.6078 10.3909 10.3909 10.4294 10.4294 10.5102 10.5102 10.5189 10.5189 11.4005 11.4006 k = 0.3182 0.1275 1.3151 ( 12112 PWs) bands (ev): -14.7526 -14.7526 -14.7510 -14.7510 -13.5139 -13.5139 -13.4873 -13.4873 -12.5776 -12.5776 -12.5448 -12.5448 -4.0076 -4.0076 -3.8872 -3.8872 -3.2981 -3.2981 -2.8767 -2.8767 -2.6486 -2.6486 -2.3789 -2.3789 -2.0352 -2.0352 -1.9111 -1.9111 -0.4838 -0.4838 -0.3737 -0.3737 1.3912 1.3912 1.4758 1.4758 2.8644 2.8644 2.9266 2.9266 3.0764 3.0764 3.1268 3.1268 3.5972 3.5972 3.6101 3.6101 10.3621 10.3621 10.4127 10.4127 10.5375 10.5375 10.5479 10.5479 11.3902 11.3902 k = 0.3409 0.1366 1.3053 ( 12118 PWs) bands (ev): -14.7528 -14.7528 -14.7510 -14.7510 -13.5168 -13.5168 -13.4854 -13.4854 -12.5800 -12.5800 -12.5413 -12.5413 -4.0036 -4.0036 -3.8923 -3.8923 -3.2863 -3.2863 -2.9125 -2.9125 -2.6136 -2.6136 -2.3767 -2.3767 -2.0397 -2.0397 -1.9167 -1.9167 -0.4831 -0.4831 -0.3760 -0.3760 1.3857 1.3857 1.4835 1.4835 2.8660 2.8660 2.9291 2.9291 3.0738 3.0738 3.1219 3.1219 3.5971 3.5971 3.6122 3.6122 10.3371 10.3371 10.3954 10.3954 10.5649 10.5649 10.5771 10.5771 11.3786 11.3786 k = 0.3636 0.1457 1.2955 ( 12105 PWs) bands (ev): -14.7531 -14.7531 -14.7511 -14.7511 -13.5188 -13.5188 -13.4849 -13.4849 -12.5807 -12.5807 -12.5388 -12.5388 -3.9986 -3.9986 -3.8986 -3.8986 -3.2715 -3.2715 -2.9477 -2.9477 -2.5805 -2.5805 -2.3737 -2.3737 -2.0454 -2.0454 -1.9227 -1.9227 -0.4816 -0.4816 -0.3805 -0.3805 1.3838 1.3838 1.4886 1.4886 2.8685 2.8685 2.9312 2.9312 3.0710 3.0710 3.1160 3.1160 3.5976 3.5976 3.6140 3.6140 10.3161 10.3161 10.3778 10.3778 10.5919 10.5919 10.6054 10.6054 11.3670 11.3670 k = 0.3864 0.1548 1.2857 ( 12099 PWs) bands (ev): -14.7532 -14.7532 -14.7512 -14.7512 -13.5198 -13.5198 -13.4857 -13.4857 -12.5798 -12.5798 -12.5376 -12.5376 -3.9926 -3.9926 -3.9057 -3.9057 -3.2539 -3.2539 -2.9818 -2.9818 -2.5505 -2.5505 -2.3698 -2.3698 -2.0518 -2.0518 -1.9284 -1.9284 -0.4794 -0.4794 -0.3873 -0.3873 1.3860 1.3860 1.4908 1.4908 2.8720 2.8720 2.9326 2.9326 3.0683 3.0683 3.1095 3.1095 3.5986 3.5986 3.6152 3.6152 10.2991 10.2991 10.3603 10.3603 10.6178 10.6178 10.6321 10.6321 11.3566 11.3566 k = 0.4091 0.1639 1.2759 ( 12093 PWs) bands (ev): -14.7534 -14.7534 -14.7515 -14.7515 -13.5199 -13.5199 -13.4879 -13.4879 -12.5771 -12.5771 -12.5375 -12.5375 -3.9858 -3.9858 -3.9133 -3.9133 -3.2339 -3.2339 -3.0148 -3.0148 -2.5246 -2.5246 -2.3649 -2.3649 -2.0587 -2.0587 -1.9332 -1.9332 -0.4765 -0.4765 -0.3966 -0.3966 1.3921 1.3921 1.4900 1.4900 2.8763 2.8763 2.9330 2.9330 3.0660 3.0660 3.1027 3.1027 3.6000 3.6000 3.6157 3.6157 10.2864 10.2864 10.3429 10.3429 10.6419 10.6419 10.6562 10.6562 11.3485 11.3485 k = 0.4318 0.1730 1.2661 ( 12107 PWs) bands (ev): -14.7535 -14.7535 -14.7518 -14.7518 -13.5190 -13.5190 -13.4915 -13.4915 -12.5728 -12.5728 -12.5387 -12.5387 -3.9783 -3.9783 -3.9211 -3.9211 -3.2116 -3.2116 -3.0464 -3.0464 -2.5044 -2.5044 -2.3587 -2.3587 -2.0654 -2.0654 -1.9362 -1.9362 -0.4730 -0.4730 -0.4085 -0.4085 1.4024 1.4024 1.4861 1.4861 2.8813 2.8813 2.9319 2.9319 3.0645 3.0645 3.0962 3.0962 3.6018 3.6018 3.6154 3.6154 10.2779 10.2779 10.3259 10.3259 10.6635 10.6635 10.6766 10.6766 11.3440 11.3440 k = 0.4545 0.1821 1.2563 ( 12104 PWs) bands (ev): -14.7536 -14.7536 -14.7523 -14.7523 -13.5171 -13.5171 -13.4965 -13.4965 -12.5667 -12.5667 -12.5412 -12.5412 -3.9705 -3.9705 -3.9285 -3.9285 -3.1873 -3.1873 -3.0763 -3.0763 -2.4909 -2.4909 -2.3513 -2.3513 -2.0717 -2.0717 -1.9367 -1.9367 -0.4690 -0.4690 -0.4229 -0.4229 1.4165 1.4165 1.4792 1.4792 2.8863 2.8863 2.9297 2.9297 3.0638 3.0638 3.0905 3.0905 3.6038 3.6038 3.6141 3.6141 10.2737 10.2737 10.3094 10.3094 10.6816 10.6816 10.6924 10.6924 11.3440 11.3440 k = 0.4773 0.1912 1.2464 ( 12105 PWs) bands (ev): -14.7536 -14.7536 -14.7529 -14.7529 -13.5141 -13.5141 -13.5027 -13.5027 -12.5591 -12.5591 -12.5449 -12.5449 -3.9636 -3.9636 -3.9343 -3.9343 -3.1619 -3.1619 -3.1040 -3.1040 -2.4847 -2.4847 -2.3429 -2.3429 -2.0774 -2.0774 -1.9340 -1.9340 -0.4644 -0.4644 -0.4396 -0.4396 1.4344 1.4344 1.4691 1.4691 2.8901 2.8901 2.9270 2.9270 3.0633 3.0633 3.0867 3.0867 3.6060 3.6060 3.6118 3.6118 10.2738 10.2738 10.2935 10.2935 10.6953 10.6953 10.7030 10.7030 11.3491 11.3491 k = 0.5000 0.2003 1.2366 ( 12104 PWs) bands (ev): -14.7536 -14.7536 -14.7536 -14.7536 -13.5102 -13.5102 -13.5102 -13.5102 -12.5499 -12.5499 -12.5499 -12.5499 -3.9606 -3.9606 -3.9355 -3.9355 -3.1428 -3.1428 -3.1220 -3.1220 -2.4855 -2.4855 -2.3344 -2.3344 -2.0825 -2.0825 -1.9276 -1.9276 -0.4613 -0.4613 -0.4560 -0.4560 1.4544 1.4544 1.4575 1.4575 2.8904 2.8904 2.9260 2.9260 3.0625 3.0625 3.0857 3.0857 3.6083 3.6083 3.6085 3.6085 10.2774 10.2774 10.2790 10.2790 10.7031 10.7031 10.7091 10.7091 11.3566 11.3566 k = 0.5000 0.2003 1.2366 ( 12104 PWs) bands (ev): -14.7536 -14.7536 -14.7536 -14.7536 -13.5102 -13.5102 -13.5102 -13.5102 -12.5499 -12.5499 -12.5499 -12.5499 -3.9606 -3.9606 -3.9355 -3.9355 -3.1428 -3.1428 -3.1220 -3.1220 -2.4855 -2.4855 -2.3344 -2.3344 -2.0825 -2.0825 -1.9276 -1.9276 -0.4613 -0.4613 -0.4560 -0.4560 1.4544 1.4544 1.4575 1.4575 2.8904 2.8904 2.9260 2.9260 3.0625 3.0625 3.0857 3.0857 3.6083 3.6083 3.6085 3.6085 10.2774 10.2774 10.2790 10.2790 10.7031 10.7031 10.7091 10.7091 11.3566 11.3566 k = 0.5000 0.2003 1.2103 ( 12104 PWs) bands (ev): -14.7546 -14.7546 -14.7546 -14.7546 -13.5155 -13.5155 -13.5154 -13.5154 -12.5435 -12.5435 -12.5435 -12.5435 -3.9603 -3.9603 -3.9289 -3.9289 -3.1422 -3.1422 -3.1143 -3.1143 -2.4952 -2.4952 -2.3126 -2.3126 -2.0943 -2.0943 -1.9051 -1.9051 -0.4828 -0.4828 -0.4763 -0.4763 1.4665 1.4665 1.4702 1.4702 2.8843 2.8843 2.9272 2.9272 3.0596 3.0596 3.0873 3.0873 3.6060 3.6060 3.6063 3.6063 10.2647 10.2647 10.2667 10.2667 10.7151 10.7151 10.7223 10.7223 11.3589 11.3589 k = 0.5000 0.2003 1.1840 ( 12104 PWs) bands (ev): -14.7559 -14.7559 -14.7559 -14.7559 -13.5218 -13.5218 -13.5217 -13.5217 -12.5359 -12.5359 -12.5359 -12.5359 -3.9594 -3.9594 -3.9215 -3.9215 -3.1416 -3.1416 -3.1051 -3.1051 -2.5022 -2.5022 -2.2922 -2.2922 -2.1028 -2.1028 -1.8823 -1.8823 -0.5082 -0.5082 -0.5005 -0.5005 1.4808 1.4808 1.4852 1.4852 2.8775 2.8775 2.9267 2.9267 3.0578 3.0578 3.0889 3.0889 3.6032 3.6032 3.6036 3.6036 10.2496 10.2496 10.2520 10.2520 10.7297 10.7297 10.7381 10.7381 11.3617 11.3617 k = 0.5000 0.2003 1.1577 ( 12112 PWs) bands (ev): -14.7575 -14.7575 -14.7575 -14.7575 -13.5289 -13.5289 -13.5288 -13.5288 -12.5272 -12.5272 -12.5272 -12.5272 -3.9578 -3.9578 -3.9133 -3.9133 -3.1410 -3.1410 -3.0945 -3.0945 -2.5064 -2.5064 -2.2746 -2.2746 -2.1065 -2.1065 -1.8592 -1.8592 -0.5372 -0.5372 -0.5285 -0.5285 1.4971 1.4971 1.5020 1.5020 2.8701 2.8701 2.9242 2.9242 3.0574 3.0574 3.0906 3.0906 3.6000 3.6000 3.6005 3.6005 10.2323 10.2323 10.2352 10.2352 10.7469 10.7469 10.7564 10.7564 11.3651 11.3651 k = 0.5000 0.2003 1.1314 ( 12104 PWs) bands (ev): -14.7593 -14.7593 -14.7593 -14.7593 -13.5367 -13.5367 -13.5367 -13.5367 -12.5174 -12.5174 -12.5174 -12.5174 -3.9556 -3.9556 -3.9044 -3.9044 -3.1407 -3.1407 -3.0826 -3.0826 -2.5077 -2.5077 -2.2615 -2.2615 -2.1042 -2.1042 -1.8359 -1.8359 -0.5696 -0.5696 -0.5598 -0.5598 1.5152 1.5152 1.5206 1.5206 2.8618 2.8618 2.9194 2.9194 3.0586 3.0586 3.0927 3.0927 3.5966 3.5966 3.5971 3.5971 10.2133 10.2133 10.2167 10.2167 10.7663 10.7663 10.7768 10.7768 11.3688 11.3688 k = 0.5000 0.2003 1.1051 ( 12104 PWs) bands (ev): -14.7615 -14.7615 -14.7615 -14.7615 -13.5452 -13.5452 -13.5451 -13.5451 -12.5067 -12.5067 -12.5066 -12.5066 -3.9527 -3.9527 -3.8946 -3.8946 -3.1406 -3.1406 -3.0692 -3.0692 -2.5062 -2.5062 -2.2539 -2.2539 -2.0948 -2.0948 -1.8125 -1.8125 -0.6049 -0.6049 -0.5942 -0.5942 1.5347 1.5347 1.5406 1.5406 2.8527 2.8527 2.9123 2.9123 3.0616 3.0616 3.0952 3.0952 3.5928 3.5928 3.5935 3.5935 10.1928 10.1928 10.1968 10.1968 10.7878 10.7878 10.7991 10.7991 11.3728 11.3728 k = 0.5000 0.2003 1.0788 ( 12112 PWs) bands (ev): -14.7639 -14.7639 -14.7639 -14.7639 -13.5542 -13.5542 -13.5541 -13.5541 -12.4951 -12.4951 -12.4950 -12.4950 -3.9492 -3.9492 -3.8840 -3.8840 -3.1409 -3.1409 -3.0545 -3.0545 -2.5017 -2.5017 -2.2514 -2.2514 -2.0788 -2.0788 -1.7890 -1.7890 -0.6429 -0.6429 -0.6313 -0.6313 1.5554 1.5554 1.5617 1.5617 2.8426 2.8426 2.9030 2.9030 3.0662 3.0662 3.0982 3.0982 3.5888 3.5888 3.5896 3.5896 10.1713 10.1713 10.1758 10.1758 10.8109 10.8109 10.8228 10.8228 11.3766 11.3766 k = 0.5000 0.2003 1.0525 ( 12110 PWs) bands (ev): -14.7667 -14.7667 -14.7667 -14.7667 -13.5636 -13.5636 -13.5635 -13.5635 -12.4827 -12.4827 -12.4827 -12.4827 -3.9452 -3.9452 -3.8728 -3.8728 -3.1416 -3.1416 -3.0386 -3.0386 -2.4945 -2.4945 -2.2527 -2.2527 -2.0578 -2.0578 -1.7657 -1.7657 -0.6832 -0.6832 -0.6707 -0.6707 1.5771 1.5771 1.5838 1.5838 2.8315 2.8315 2.8917 2.8917 3.0722 3.0722 3.1018 3.1018 3.5847 3.5847 3.5856 3.5856 10.1490 10.1490 10.1541 10.1541 10.8349 10.8349 10.8472 10.8472 11.3801 11.3802 k = 0.5000 0.2003 1.0261 ( 12094 PWs) bands (ev): -14.7698 -14.7698 -14.7698 -14.7698 -13.5733 -13.5733 -13.5732 -13.5732 -12.4697 -12.4697 -12.4696 -12.4696 -3.9405 -3.9405 -3.8608 -3.8608 -3.1425 -3.1425 -3.0215 -3.0215 -2.4847 -2.4847 -2.2561 -2.2561 -2.0334 -2.0334 -1.7425 -1.7425 -0.7254 -0.7254 -0.7122 -0.7122 1.5994 1.5994 1.6065 1.6065 2.8196 2.8196 2.8790 2.8790 3.0793 3.0793 3.1059 3.1059 3.5806 3.5806 3.5816 3.5816 10.1265 10.1265 10.1322 10.1322 10.8592 10.8592 10.8715 10.8715 11.3828 11.3829 k = 0.5000 0.2003 0.9998 ( 12098 PWs) bands (ev): -14.7732 -14.7732 -14.7732 -14.7732 -13.5831 -13.5831 -13.5830 -13.5830 -12.4561 -12.4561 -12.4560 -12.4560 -3.9352 -3.9352 -3.8482 -3.8482 -3.1437 -3.1437 -3.0033 -3.0033 -2.4724 -2.4724 -2.2607 -2.2607 -2.0069 -2.0069 -1.7195 -1.7195 -0.7691 -0.7691 -0.7554 -0.7554 1.6223 1.6223 1.6296 1.6296 2.8068 2.8068 2.8650 2.8650 3.0871 3.0871 3.1106 3.1106 3.5765 3.5765 3.5777 3.5777 10.1040 10.1040 10.1104 10.1104 10.8826 10.8826 10.8945 10.8945 11.3842 11.3843 k = 0.5000 0.2003 0.9735 ( 12098 PWs) bands (ev): -14.7770 -14.7770 -14.7770 -14.7770 -13.5930 -13.5930 -13.5929 -13.5929 -12.4420 -12.4420 -12.4419 -12.4419 -3.9293 -3.9293 -3.8349 -3.8349 -3.1449 -3.1449 -2.9841 -2.9841 -2.4580 -2.4580 -2.2655 -2.2655 -1.9793 -1.9793 -1.6969 -1.6969 -0.8141 -0.8141 -0.7999 -0.7999 1.6454 1.6454 1.6529 1.6529 2.7933 2.7933 2.8502 2.8502 3.0954 3.0954 3.1158 3.1158 3.5726 3.5726 3.5738 3.5738 10.0819 10.0819 10.0890 10.0890 10.9038 10.9038 10.9148 10.9148 11.3831 11.3833 k = 0.5000 0.2003 0.9472 ( 12090 PWs) bands (ev): -14.7811 -14.7811 -14.7811 -14.7811 -13.6029 -13.6029 -13.6027 -13.6027 -12.4275 -12.4275 -12.4274 -12.4274 -3.9229 -3.9229 -3.8212 -3.8212 -3.1461 -3.1461 -2.9640 -2.9640 -2.4417 -2.4417 -2.2702 -2.2702 -1.9512 -1.9512 -1.6747 -1.6747 -0.8600 -0.8600 -0.8453 -0.8453 1.6685 1.6685 1.6762 1.6762 2.7792 2.7792 2.8348 2.8348 3.1039 3.1039 3.1213 3.1213 3.5690 3.5690 3.5703 3.5703 10.0605 10.0605 10.0684 10.0684 10.9205 10.9205 10.9300 10.9300 11.3709 11.3709 k = 0.5000 0.2003 0.9209 ( 12098 PWs) bands (ev): -14.7857 -14.7857 -14.7857 -14.7857 -13.6126 -13.6126 -13.6125 -13.6125 -12.4126 -12.4126 -12.4126 -12.4126 -3.9159 -3.9159 -3.8069 -3.8069 -3.1472 -3.1472 -2.9431 -2.9431 -2.4239 -2.4239 -2.2745 -2.2745 -1.9232 -1.9232 -1.6532 -1.6532 -0.9062 -0.9062 -0.8914 -0.8914 1.6916 1.6916 1.6994 1.6994 2.7648 2.7648 2.8191 2.8191 3.1123 3.1123 3.1270 3.1270 3.5658 3.5658 3.5671 3.5671 10.0401 10.0401 10.0488 10.0488 10.9298 10.9298 10.9373 10.9373 11.3538 11.3538 k = 0.5000 0.2003 0.8946 ( 12082 PWs) bands (ev): -14.7906 -14.7906 -14.7906 -14.7906 -13.6221 -13.6221 -13.6220 -13.6220 -12.3975 -12.3975 -12.3975 -12.3975 -3.9084 -3.9084 -3.7922 -3.7922 -3.1478 -3.1478 -2.9217 -2.9217 -2.4048 -2.4048 -2.2782 -2.2782 -1.8957 -1.8957 -1.6323 -1.6323 -0.9526 -0.9526 -0.9378 -0.9378 1.7144 1.7144 1.7223 1.7223 2.7503 2.7503 2.8033 2.8033 3.1204 3.1204 3.1328 3.1328 3.5632 3.5632 3.5644 3.5644 10.0209 10.0209 10.0306 10.0306 10.9273 10.9273 10.9327 10.9327 11.3335 11.3335 k = 0.5000 0.2003 0.8683 ( 12088 PWs) bands (ev): -14.7959 -14.7959 -14.7958 -14.7958 -13.6313 -13.6313 -13.6312 -13.6312 -12.3822 -12.3822 -12.3822 -12.3822 -3.9004 -3.9004 -3.7773 -3.7773 -3.1480 -3.1480 -2.8997 -2.8997 -2.3848 -2.3848 -2.2813 -2.2813 -1.8691 -1.8691 -1.6123 -1.6123 -0.9986 -0.9986 -0.9840 -0.9840 1.7368 1.7368 1.7447 1.7447 2.7357 2.7357 2.7878 2.7878 3.1280 3.1280 3.1385 3.1385 3.5612 3.5612 3.5623 3.5623 10.0030 10.0030 10.0138 10.0138 10.9084 10.9084 10.9122 10.9122 11.3139 11.3140 k = 0.5000 0.2003 0.8420 ( 12088 PWs) bands (ev): -14.8015 -14.8015 -14.8015 -14.8015 -13.6402 -13.6402 -13.6401 -13.6401 -12.3668 -12.3668 -12.3668 -12.3668 -3.8918 -3.8918 -3.7621 -3.7621 -3.1474 -3.1474 -2.8773 -2.8773 -2.3643 -2.3643 -2.2836 -2.2836 -1.8438 -1.8438 -1.5933 -1.5933 -1.0438 -1.0438 -1.0297 -1.0297 1.7587 1.7587 1.7666 1.7666 2.7214 2.7214 2.7726 2.7726 3.1349 3.1349 3.1439 3.1439 3.5599 3.5599 3.5609 3.5609 9.9866 9.9866 9.9986 9.9986 10.8699 10.8699 10.8733 10.8733 11.2988 11.2988 k = 0.5000 0.2003 0.8157 ( 12086 PWs) bands (ev): -14.8075 -14.8075 -14.8075 -14.8075 -13.6487 -13.6487 -13.6486 -13.6486 -12.3513 -12.3513 -12.3512 -12.3512 -3.8828 -3.8828 -3.7468 -3.7468 -3.1461 -3.1461 -2.8547 -2.8547 -2.3435 -2.3435 -2.2851 -2.2851 -1.8203 -1.8203 -1.5755 -1.5755 -1.0876 -1.0876 -1.0745 -1.0745 1.7800 1.7800 1.7878 1.7878 2.7076 2.7076 2.7582 2.7582 3.1410 3.1410 3.1489 3.1489 3.5595 3.5595 3.5602 3.5602 9.9716 9.9716 9.9850 9.9850 10.8126 10.8126 10.8163 10.8163 11.2889 11.2889 k = 0.5000 0.2003 0.7893 ( 12080 PWs) bands (ev): -14.8139 -14.8139 -14.8139 -14.8139 -13.6568 -13.6568 -13.6566 -13.6566 -12.3357 -12.3357 -12.3357 -12.3357 -3.8734 -3.8734 -3.7315 -3.7315 -3.1437 -3.1437 -2.8320 -2.8320 -2.3230 -2.3230 -2.2860 -2.2860 -1.7990 -1.7990 -1.5593 -1.5593 -1.1296 -1.1296 -1.1179 -1.1179 1.8006 1.8006 1.8083 1.8083 2.6944 2.6944 2.7445 2.7445 3.1461 3.1461 3.1534 3.1534 3.5601 3.5601 3.5604 3.5604 9.9579 9.9579 9.9728 9.9728 10.7403 10.7403 10.7444 10.7444 11.2810 11.2811 k = 0.5000 0.2003 0.7630 ( 12082 PWs) bands (ev): -14.8206 -14.8206 -14.8206 -14.8206 -13.6643 -13.6643 -13.6642 -13.6642 -12.3202 -12.3202 -12.3202 -12.3202 -3.8635 -3.8635 -3.7164 -3.7164 -3.1403 -3.1403 -2.8093 -2.8093 -2.3029 -2.3029 -2.2861 -2.2861 -1.7805 -1.7805 -1.5449 -1.5449 -1.1692 -1.1692 -1.1592 -1.1592 1.8204 1.8204 1.8281 1.8281 2.6820 2.6820 2.7318 2.7318 3.1501 3.1501 3.1572 3.1572 3.5615 3.5615 3.5615 3.5615 9.9450 9.9450 9.9619 9.9619 10.6580 10.6580 10.6620 10.6620 11.2704 11.2704 k = 0.5000 0.2003 0.7367 ( 12090 PWs) bands (ev): -14.8276 -14.8276 -14.8276 -14.8276 -13.6714 -13.6714 -13.6712 -13.6712 -12.3048 -12.3048 -12.3048 -12.3048 -3.8532 -3.8532 -3.7015 -3.7015 -3.1357 -3.1357 -2.7868 -2.7868 -2.2855 -2.2855 -2.2837 -2.2837 -1.7654 -1.7654 -1.5327 -1.5327 -1.2056 -1.2056 -1.1980 -1.1980 1.8396 1.8396 1.8472 1.8472 2.6706 2.6706 2.7203 2.7203 3.1530 3.1530 3.1602 3.1602 3.5635 3.5635 3.5639 3.5639 9.9324 9.9324 9.9517 9.9517 10.5704 10.5704 10.5733 10.5733 11.2518 11.2518 k = 0.5000 0.2003 0.7104 ( 12092 PWs) bands (ev): -14.8349 -14.8349 -14.8349 -14.8349 -13.6779 -13.6779 -13.6778 -13.6778 -12.2895 -12.2895 -12.2894 -12.2894 -3.8427 -3.8427 -3.6870 -3.6870 -3.1297 -3.1297 -2.7647 -2.7647 -2.2844 -2.2844 -2.2656 -2.2656 -1.7542 -1.7542 -1.5233 -1.5233 -1.2382 -1.2382 -1.2334 -1.2334 1.8580 1.8580 1.8655 1.8655 2.6604 2.6604 2.7100 2.7100 3.1548 3.1548 3.1624 3.1624 3.5663 3.5663 3.5672 3.5672 9.9191 9.9191 9.9412 9.9412 10.4813 10.4813 10.4821 10.4821 11.2219 11.2220 k = 0.5000 0.2003 0.6841 ( 12104 PWs) bands (ev): -14.8425 -14.8425 -14.8425 -14.8425 -13.6840 -13.6840 -13.6838 -13.6838 -12.2743 -12.2743 -12.2743 -12.2743 -3.8318 -3.8318 -3.6730 -3.6730 -3.1224 -3.1224 -2.7431 -2.7431 -2.2827 -2.2827 -2.2491 -2.2491 -1.7474 -1.7474 -1.5172 -1.5172 -1.2665 -1.2665 -1.2647 -1.2647 1.8758 1.8758 1.8832 1.8832 2.6514 2.6514 2.7009 2.7009 3.1556 3.1556 3.1639 3.1639 3.5700 3.5700 3.5714 3.5714 9.9034 9.9034 9.9289 9.9289 10.3920 10.3920 10.3942 10.3942 11.1807 11.1808 k = 0.5000 0.2003 0.6578 ( 12104 PWs) bands (ev): -14.8502 -14.8502 -14.8502 -14.8502 -13.6894 -13.6894 -13.6893 -13.6893 -12.2593 -12.2593 -12.2593 -12.2593 -3.8206 -3.8206 -3.6596 -3.6596 -3.1136 -3.1136 -2.7221 -2.7221 -2.2805 -2.2805 -2.2344 -2.2344 -1.7452 -1.7452 -1.5151 -1.5151 -1.2910 -1.2910 -1.2901 -1.2901 1.8929 1.8929 1.9003 1.9003 2.6437 2.6437 2.6931 2.6931 3.1554 3.1554 3.1645 3.1645 3.5745 3.5745 3.5763 3.5763 9.8826 9.8826 9.9120 9.9120 10.3070 10.3070 10.3129 10.3129 11.1309 11.1309 k = 0.5000 0.2003 0.6315 ( 12106 PWs) bands (ev): -14.8582 -14.8582 -14.8582 -14.8582 -13.6944 -13.6944 -13.6942 -13.6942 -12.2446 -12.2446 -12.2446 -12.2446 -3.8093 -3.8093 -3.6470 -3.6470 -3.1034 -3.1034 -2.7019 -2.7019 -2.2779 -2.2779 -2.2217 -2.2217 -1.7475 -1.7475 -1.5173 -1.5173 -1.3118 -1.3118 -1.3088 -1.3088 1.9096 1.9096 1.9169 1.9169 2.6372 2.6372 2.6867 2.6867 3.1542 3.1542 3.1644 3.1644 3.5796 3.5796 3.5819 3.5819 9.8532 9.8532 9.8865 9.8865 10.2317 10.2317 10.2414 10.2414 11.0763 11.0764 k = 0.5000 0.2003 0.6052 ( 12096 PWs) bands (ev): -14.8663 -14.8663 -14.8663 -14.8663 -13.6988 -13.6988 -13.6987 -13.6987 -12.2301 -12.2301 -12.2301 -12.2301 -3.7979 -3.7979 -3.6353 -3.6353 -3.0917 -3.0917 -2.6827 -2.6827 -2.2751 -2.2751 -2.2114 -2.2114 -1.7540 -1.7540 -1.5235 -1.5235 -1.3272 -1.3272 -1.3231 -1.3231 1.9259 1.9259 1.9333 1.9333 2.6321 2.6321 2.6814 2.6814 3.1523 3.1523 3.1637 3.1637 3.5853 3.5853 3.5879 3.5879 9.8119 9.8119 9.8475 9.8475 10.1712 10.1712 10.1834 10.1834 11.0208 11.0208 k = 0.5000 0.2003 0.5789 ( 12084 PWs) bands (ev): -14.8745 -14.8745 -14.8745 -14.8745 -13.7028 -13.7028 -13.7026 -13.7026 -12.2160 -12.2160 -12.2160 -12.2160 -3.7864 -3.7864 -3.6245 -3.6245 -3.0785 -3.0785 -2.6647 -2.6647 -2.2721 -2.2721 -2.2035 -2.2035 -1.7637 -1.7637 -1.5328 -1.5328 -1.3381 -1.3381 -1.3335 -1.3335 1.9419 1.9419 1.9494 1.9494 2.6282 2.6282 2.6773 2.6773 3.1498 3.1498 3.1623 3.1623 3.5914 3.5914 3.5944 3.5944 9.7573 9.7573 9.7928 9.7928 10.1277 10.1277 10.1400 10.1400 10.9670 10.9670 k = 0.5000 0.2003 0.5525 ( 12078 PWs) bands (ev): -14.8828 -14.8828 -14.8828 -14.8828 -13.7063 -13.7063 -13.7061 -13.7061 -12.2022 -12.2022 -12.2022 -12.2022 -3.7749 -3.7749 -3.6146 -3.6146 -3.0639 -3.0639 -2.6481 -2.6481 -2.2689 -2.2689 -2.1982 -2.1982 -1.7756 -1.7756 -1.5438 -1.5438 -1.3457 -1.3457 -1.3410 -1.3410 1.9578 1.9578 1.9654 1.9654 2.6254 2.6254 2.6742 2.6742 3.1468 3.1468 3.1605 3.1605 3.5979 3.5979 3.6011 3.6011 9.6913 9.6913 9.7246 9.7246 10.0983 10.0983 10.1088 10.1088 10.9174 10.9180 k = 0.5000 0.2003 0.5262 ( 12086 PWs) bands (ev): -14.8911 -14.8911 -14.8911 -14.8911 -13.7093 -13.7093 -13.7091 -13.7091 -12.1887 -12.1887 -12.1887 -12.1887 -3.7634 -3.7634 -3.6058 -3.6058 -3.0480 -3.0480 -2.6330 -2.6330 -2.2657 -2.2657 -2.1954 -2.1954 -1.7885 -1.7885 -1.5552 -1.5552 -1.3514 -1.3514 -1.3464 -1.3464 1.9737 1.9737 1.9815 1.9815 2.6237 2.6237 2.6721 2.6721 3.1434 3.1434 3.1582 3.1582 3.6046 3.6046 3.6080 3.6080 9.6177 9.6177 9.6480 9.6480 10.0773 10.0773 10.0853 10.0853 10.8740 10.8747 k = 0.5000 0.2003 0.4999 ( 12082 PWs) bands (ev): -14.8993 -14.8993 -14.8993 -14.8993 -13.7119 -13.7119 -13.7117 -13.7117 -12.1757 -12.1757 -12.1757 -12.1757 -3.7521 -3.7521 -3.5981 -3.5981 -3.0309 -3.0309 -2.6197 -2.6197 -2.2625 -2.2625 -2.1949 -2.1949 -1.8013 -1.8013 -1.5658 -1.5658 -1.3565 -1.3565 -1.3508 -1.3508 1.9898 1.9898 1.9978 1.9978 2.6229 2.6229 2.6707 2.6707 3.1397 3.1397 3.1556 3.1556 3.6114 3.6114 3.6150 3.6150 9.5402 9.5402 9.5675 9.5675 10.0595 10.0595 10.0649 10.0649 10.8392 10.8407 k = 0.5000 0.2003 0.4736 ( 12084 PWs) bands (ev): -14.9075 -14.9075 -14.9075 -14.9075 -13.7141 -13.7141 -13.7140 -13.7140 -12.1631 -12.1631 -12.1631 -12.1631 -3.7409 -3.7409 -3.5915 -3.5915 -3.0126 -3.0126 -2.6083 -2.6083 -2.2593 -2.2593 -2.1965 -2.1965 -1.8131 -1.8131 -1.5750 -1.5750 -1.3618 -1.3618 -1.3548 -1.3548 2.0061 2.0061 2.0143 2.0143 2.6229 2.6229 2.6698 2.6698 3.1358 3.1358 3.1526 3.1526 3.6183 3.6183 3.6220 3.6220 9.4614 9.4614 9.4859 9.4859 10.0413 10.0413 10.0445 10.0445 10.8138 10.8236 k = 0.5000 0.2003 0.4473 ( 12092 PWs) bands (ev): -14.9155 -14.9155 -14.9155 -14.9155 -13.7160 -13.7160 -13.7158 -13.7158 -12.1510 -12.1510 -12.1510 -12.1510 -3.7300 -3.7300 -3.5859 -3.5859 -2.9935 -2.9935 -2.5990 -2.5990 -2.2561 -2.2561 -2.1998 -2.1998 -1.8232 -1.8232 -1.5826 -1.5826 -1.3678 -1.3678 -1.3591 -1.3591 2.0228 2.0228 2.0312 2.0312 2.6236 2.6236 2.6694 2.6694 3.1318 3.1318 3.1494 3.1494 3.6253 3.6253 3.6289 3.6289 9.3831 9.3831 9.4050 9.4050 10.0205 10.0205 10.0218 10.0218 10.7998 10.8053 k = 0.5000 0.2003 0.4210 ( 12092 PWs) bands (ev): -14.9234 -14.9234 -14.9234 -14.9234 -13.7175 -13.7175 -13.7173 -13.7173 -12.1394 -12.1394 -12.1394 -12.1394 -3.7194 -3.7194 -3.5815 -3.5815 -2.9735 -2.9735 -2.5918 -2.5918 -2.2529 -2.2529 -2.2045 -2.2045 -1.8311 -1.8311 -1.5884 -1.5884 -1.3750 -1.3750 -1.3639 -1.3639 2.0398 2.0398 2.0485 2.0485 2.6247 2.6247 2.6693 2.6693 3.1277 3.1277 3.1460 3.1460 3.6321 3.6321 3.6357 3.6357 9.3064 9.3064 9.3261 9.3261 9.9959 9.9959 9.9962 9.9962 10.7898 10.7925 k = 0.5000 0.2003 0.3947 ( 12092 PWs) bands (ev): -14.9310 -14.9310 -14.9310 -14.9310 -13.7187 -13.7187 -13.7186 -13.7186 -12.1283 -12.1283 -12.1283 -12.1283 -3.7092 -3.7092 -3.5780 -3.5780 -2.9530 -2.9530 -2.5869 -2.5869 -2.2496 -2.2496 -2.2100 -2.2100 -1.8364 -1.8364 -1.5925 -1.5925 -1.3835 -1.3835 -1.3697 -1.3697 2.0572 2.0572 2.0660 2.0660 2.6262 2.6262 2.6694 2.6694 3.1237 3.1237 3.1424 3.1424 3.6389 3.6389 3.6424 3.6424 9.2321 9.2321 9.2498 9.2498 9.9667 9.9667 9.9681 9.9681 10.7929 10.7959 k = 0.5000 0.2003 0.3684 ( 12092 PWs) bands (ev): -14.9384 -14.9384 -14.9384 -14.9384 -13.7197 -13.7197 -13.7196 -13.7196 -12.1177 -12.1177 -12.1177 -12.1177 -3.6993 -3.6993 -3.5755 -3.5755 -2.9321 -2.9321 -2.5843 -2.5843 -2.2462 -2.2462 -2.2159 -2.2159 -1.8389 -1.8389 -1.5950 -1.5950 -1.3936 -1.3936 -1.3765 -1.3765 2.0749 2.0749 2.0839 2.0839 2.6281 2.6281 2.6695 2.6695 3.1197 3.1197 3.1386 3.1386 3.6456 3.6456 3.6489 3.6489 9.1608 9.1608 9.1767 9.1767 9.9346 9.9346 9.9370 9.9370 10.8033 10.8055 k = 0.5000 0.2003 0.3420 ( 12096 PWs) bands (ev): -14.9454 -14.9454 -14.9454 -14.9454 -13.7205 -13.7205 -13.7203 -13.7203 -12.1078 -12.1078 -12.1078 -12.1078 -3.6900 -3.6900 -3.5740 -3.5740 -2.9110 -2.9110 -2.5838 -2.5838 -2.2426 -2.2426 -2.2219 -2.2219 -1.8387 -1.8387 -1.5963 -1.5963 -1.4051 -1.4051 -1.3845 -1.3845 2.0929 2.0929 2.1020 2.1020 2.6300 2.6300 2.6695 2.6695 3.1158 3.1158 3.1347 3.1347 3.6521 3.6521 3.6552 3.6552 9.0930 9.0930 9.1073 9.1073 9.9006 9.9006 9.9036 9.9036 10.8217 10.8232 k = 0.5000 0.2003 0.3157 ( 12100 PWs) bands (ev): -14.9521 -14.9521 -14.9521 -14.9521 -13.7210 -13.7210 -13.7209 -13.7209 -12.0984 -12.0984 -12.0984 -12.0984 -3.6810 -3.6810 -3.5733 -3.5733 -2.8899 -2.8899 -2.5852 -2.5852 -2.2390 -2.2390 -2.2275 -2.2275 -1.8358 -1.8358 -1.5964 -1.5964 -1.4182 -1.4182 -1.3936 -1.3936 2.1109 2.1109 2.1201 2.1201 2.6321 2.6321 2.6695 2.6695 3.1119 3.1119 3.1307 3.1307 3.6584 3.6584 3.6613 3.6613 9.0290 9.0290 9.0417 9.0417 9.8654 9.8654 9.8689 9.8689 10.8466 10.8516 k = 0.5000 0.2003 0.2894 ( 12096 PWs) bands (ev): -14.9584 -14.9584 -14.9584 -14.9584 -13.7214 -13.7214 -13.7213 -13.7213 -12.0897 -12.0897 -12.0897 -12.0897 -3.6726 -3.6726 -3.5734 -3.5734 -2.8690 -2.8690 -2.5885 -2.5885 -2.2352 -2.2352 -2.2323 -2.2323 -1.8304 -1.8304 -1.5956 -1.5956 -1.4328 -1.4328 -1.4037 -1.4037 2.1290 2.1290 2.1381 2.1381 2.6342 2.6342 2.6692 2.6692 3.1082 3.1082 3.1265 3.1265 3.6644 3.6644 3.6671 3.6671 8.9692 8.9692 8.9805 8.9805 9.8303 9.8303 9.8340 9.8340 10.8741 10.8775 k = 0.5000 0.2003 0.2631 ( 12094 PWs) bands (ev): -14.9643 -14.9643 -14.9643 -14.9643 -13.7217 -13.7217 -13.7216 -13.7216 -12.0817 -12.0817 -12.0817 -12.0817 -3.6647 -3.6647 -3.5742 -3.5742 -2.8484 -2.8484 -2.5932 -2.5932 -2.2363 -2.2363 -2.2316 -2.2316 -1.8227 -1.8227 -1.5941 -1.5941 -1.4486 -1.4486 -1.4148 -1.4148 2.1468 2.1468 2.1557 2.1557 2.6362 2.6362 2.6688 2.6688 3.1046 3.1046 3.1222 3.1222 3.6702 3.6702 3.6727 3.6727 8.9137 8.9137 8.9236 8.9236 9.7959 9.7959 9.7997 9.7997 10.9053 10.9103 k = 0.5000 0.2003 0.2368 ( 12106 PWs) bands (ev): -14.9697 -14.9697 -14.9697 -14.9697 -13.7218 -13.7218 -13.7217 -13.7217 -12.0743 -12.0743 -12.0743 -12.0743 -3.6572 -3.6572 -3.5757 -3.5757 -2.8284 -2.8284 -2.5993 -2.5993 -2.2392 -2.2392 -2.2281 -2.2281 -1.8129 -1.8129 -1.5920 -1.5920 -1.4656 -1.4656 -1.4265 -1.4265 2.1642 2.1642 2.1728 2.1728 2.6383 2.6383 2.6681 2.6681 3.1012 3.1012 3.1179 3.1179 3.6758 3.6758 3.6780 3.6780 8.8628 8.8628 8.8715 8.8715 9.7630 9.7630 9.7668 9.7668 10.9378 10.9427 k = 0.5000 0.2003 0.2105 ( 12104 PWs) bands (ev): -14.9746 -14.9746 -14.9746 -14.9746 -13.7219 -13.7219 -13.7218 -13.7218 -12.0677 -12.0677 -12.0677 -12.0677 -3.6502 -3.6502 -3.5777 -3.5777 -2.8091 -2.8091 -2.6064 -2.6064 -2.2409 -2.2409 -2.2249 -2.2249 -1.8011 -1.8011 -1.5895 -1.5895 -1.4834 -1.4834 -1.4388 -1.4388 2.1809 2.1809 2.1890 2.1890 2.6402 2.6402 2.6672 2.6672 3.0980 3.0980 3.1136 3.1136 3.6809 3.6809 3.6829 3.6829 8.8168 8.8168 8.8243 8.8243 9.7322 9.7322 9.7359 9.7359 10.9702 10.9727 k = 0.5000 0.2003 0.1842 ( 12114 PWs) bands (ev): -14.9791 -14.9791 -14.9791 -14.9791 -13.7219 -13.7219 -13.7218 -13.7218 -12.0618 -12.0618 -12.0618 -12.0618 -3.6437 -3.6437 -3.5803 -3.5803 -2.7905 -2.7905 -2.6143 -2.6143 -2.2414 -2.2414 -2.2223 -2.2223 -1.7876 -1.7876 -1.5869 -1.5869 -1.5018 -1.5018 -1.4514 -1.4514 2.1966 2.1966 2.2041 2.2041 2.6421 2.6421 2.6660 2.6660 3.0950 3.0950 3.1093 3.1093 3.6857 3.6857 3.6874 3.6874 8.7757 8.7757 8.7822 8.7822 9.7041 9.7041 9.7076 9.7076 11.0011 11.0062 k = 0.5000 0.2003 0.1579 ( 12112 PWs) bands (ev): -14.9829 -14.9829 -14.9829 -14.9829 -13.7218 -13.7218 -13.7218 -13.7218 -12.0566 -12.0566 -12.0566 -12.0566 -3.6375 -3.6375 -3.5832 -3.5832 -2.7728 -2.7728 -2.6229 -2.6229 -2.2408 -2.2408 -2.2203 -2.2203 -1.7726 -1.7726 -1.5846 -1.5846 -1.5200 -1.5200 -1.4642 -1.4642 2.2110 2.2110 2.2178 2.2178 2.6439 2.6439 2.6647 2.6647 3.0925 3.0925 3.1051 3.1051 3.6900 3.6900 3.6914 3.6914 8.7398 8.7398 8.7452 8.7452 9.6791 9.6791 9.6822 9.6822 11.0345 11.0409 k = 0.5000 0.2003 0.1316 ( 12098 PWs) bands (ev): -14.9863 -14.9863 -14.9863 -14.9863 -13.7218 -13.7218 -13.7217 -13.7217 -12.0522 -12.0522 -12.0522 -12.0522 -3.6317 -3.6317 -3.5865 -3.5865 -2.7561 -2.7561 -2.6321 -2.6321 -2.2393 -2.2393 -2.2190 -2.2190 -1.7562 -1.7562 -1.5842 -1.5842 -1.5362 -1.5362 -1.4768 -1.4768 2.2240 2.2240 2.2298 2.2298 2.6457 2.6457 2.6632 2.6632 3.0903 3.0903 3.1012 3.1012 3.6938 3.6938 3.6950 3.6950 8.7093 8.7093 8.7137 8.7137 9.6574 9.6574 9.6602 9.6602 11.0582 11.0662 k = 0.5000 0.2003 0.1052 ( 12106 PWs) bands (ev): -14.9890 -14.9890 -14.9890 -14.9890 -13.7217 -13.7217 -13.7216 -13.7216 -12.0486 -12.0486 -12.0486 -12.0486 -3.6262 -3.6262 -3.5901 -3.5901 -2.7402 -2.7402 -2.6418 -2.6418 -2.2370 -2.2370 -2.2185 -2.2185 -1.7387 -1.7387 -1.5893 -1.5893 -1.5468 -1.5468 -1.4890 -1.4890 2.2351 2.2351 2.2399 2.2399 2.6474 2.6474 2.6616 2.6616 3.0886 3.0886 3.0975 3.0975 3.6970 3.6970 3.6979 3.6979 8.6841 8.6841 8.6876 8.6876 9.6394 9.6394 9.6417 9.6417 11.0824 11.0832 k = 0.5000 0.2003 0.0789 ( 12096 PWs) bands (ev): -14.9911 -14.9911 -14.9911 -14.9911 -13.7216 -13.7216 -13.7216 -13.7216 -12.0457 -12.0457 -12.0457 -12.0457 -3.6210 -3.6210 -3.5940 -3.5940 -2.7253 -2.7253 -2.6519 -2.6519 -2.2341 -2.2341 -2.2189 -2.2189 -1.7202 -1.7202 -1.6024 -1.6024 -1.5489 -1.5489 -1.5008 -1.5008 2.2442 2.2442 2.2479 2.2479 2.6492 2.6492 2.6599 2.6599 3.0875 3.0875 3.0943 3.0943 3.6996 3.6996 3.7003 3.7003 8.6646 8.6646 8.6671 8.6671 9.6253 9.6253 9.6271 9.6271 11.1055 11.1105 k = 0.5000 0.2003 0.0526 ( 12082 PWs) bands (ev): -14.9927 -14.9927 -14.9927 -14.9927 -13.7215 -13.7215 -13.7215 -13.7215 -12.0437 -12.0437 -12.0437 -12.0437 -3.6160 -3.6160 -3.5980 -3.5980 -2.7113 -2.7113 -2.6626 -2.6626 -2.2309 -2.2309 -2.2202 -2.2202 -1.7009 -1.7009 -1.6204 -1.6204 -1.5453 -1.5453 -1.5118 -1.5118 2.2511 2.2511 2.2536 2.2536 2.6509 2.6509 2.6581 2.6581 3.0870 3.0870 3.0916 3.0916 3.7015 3.7015 3.7019 3.7019 8.6507 8.6507 8.6523 8.6523 9.6152 9.6152 9.6164 9.6164 11.1169 11.1200 k = 0.5000 0.2003 0.0263 ( 12074 PWs) bands (ev): -14.9936 -14.9936 -14.9936 -14.9936 -13.7215 -13.7215 -13.7215 -13.7215 -12.0425 -12.0425 -12.0425 -12.0425 -3.6113 -3.6113 -3.6023 -3.6023 -2.6981 -2.6981 -2.6738 -2.6738 -2.2277 -2.2277 -2.2221 -2.2221 -1.6809 -1.6809 -1.6403 -1.6403 -1.5391 -1.5391 -1.5220 -1.5220 2.2555 2.2555 2.2568 2.2568 2.6527 2.6527 2.6563 2.6563 3.0871 3.0871 3.0895 3.0895 3.7027 3.7027 3.7029 3.7029 8.6424 8.6424 8.6433 8.6433 9.6092 9.6092 9.6098 9.6098 11.1269 11.1282 k = 0.5000 0.2003-0.0000 ( 12066 PWs) bands (ev): -14.9939 -14.9939 -14.9939 -14.9939 -13.7215 -13.7215 -13.7215 -13.7215 -12.0421 -12.0421 -12.0421 -12.0421 -3.6067 -3.6067 -3.6067 -3.6067 -2.6856 -2.6856 -2.6856 -2.6856 -2.2247 -2.2247 -2.2247 -2.2247 -1.6606 -1.6606 -1.6606 -1.6606 -1.5311 -1.5311 -1.5311 -1.5311 2.2574 2.2574 2.2574 2.2574 2.6545 2.6545 2.6545 2.6545 3.0880 3.0880 3.0880 3.0880 3.7032 3.7032 3.7032 3.7032 8.6400 8.6400 8.6400 8.6400 9.6074 9.6074 9.6074 9.6074 11.1306 11.1306 k = 0.0000 0.0000 1.3445 ( 12120 PWs) bands (ev): -14.7517 -14.7517 -14.7517 -14.7517 -13.5001 -13.5001 -13.5001 -13.5001 -12.5619 -12.5619 -12.5619 -12.5619 -3.9543 -3.9543 -3.9543 -3.9543 -3.1404 -3.1404 -3.1404 -3.1404 -2.4222 -2.4222 -2.4222 -2.4222 -2.0138 -2.0138 -2.0138 -2.0138 -0.4194 -0.4194 -0.4194 -0.4194 1.4322 1.4322 1.4322 1.4322 2.9116 2.9116 2.9116 2.9116 3.0766 3.0766 3.0766 3.0766 3.6127 3.6127 3.6127 3.6127 10.3017 10.3017 10.3017 10.3017 10.6831 10.6831 10.6831 10.6831 11.3548 11.3548 k = 0.0227 0.0091 1.3445 ( 12104 PWs) bands (ev): -14.7517 -14.7517 -14.7517 -14.7517 -13.5001 -13.5001 -13.5001 -13.5001 -12.5619 -12.5619 -12.5619 -12.5619 -3.9634 -3.9634 -3.9450 -3.9450 -3.1675 -3.1675 -3.1116 -3.1116 -2.4400 -2.4400 -2.4081 -2.4081 -2.0217 -2.0217 -2.0036 -2.0036 -0.4273 -0.4273 -0.4119 -0.4119 1.4302 1.4302 1.4342 1.4342 2.9060 2.9060 2.9164 2.9164 3.0724 3.0724 3.0820 3.0820 3.6122 3.6122 3.6128 3.6128 10.3029 10.3029 10.3034 10.3034 10.6793 10.6793 10.6811 10.6811 11.3536 11.3536 k = 0.0455 0.0182 1.3445 ( 12110 PWs) bands (ev): -14.7517 -14.7517 -14.7517 -14.7517 -13.5001 -13.5001 -13.5001 -13.5001 -12.5619 -12.5619 -12.5619 -12.5619 -3.9719 -3.9719 -3.9356 -3.9356 -3.1929 -3.1929 -3.0814 -3.0814 -2.4616 -2.4616 -2.3976 -2.3976 -2.0275 -2.0275 -1.9916 -1.9916 -0.4353 -0.4353 -0.4049 -0.4049 1.4282 1.4282 1.4362 1.4362 2.8999 2.8999 2.9202 2.9202 3.0696 3.0696 3.0883 3.0883 3.6113 3.6113 3.6125 3.6125 10.3070 10.3070 10.3079 10.3079 10.6700 10.6700 10.6733 10.6733 11.3557 11.3557 k = 0.0682 0.0273 1.3445 ( 12104 PWs) bands (ev): -14.7517 -14.7517 -14.7517 -14.7517 -13.5001 -13.5001 -13.5001 -13.5001 -12.5619 -12.5619 -12.5618 -12.5618 -3.9799 -3.9799 -3.9262 -3.9262 -3.2163 -3.2163 -3.0499 -3.0499 -2.4866 -2.4866 -2.3902 -2.3902 -2.0311 -2.0311 -1.9783 -1.9783 -0.4434 -0.4434 -0.3985 -0.3985 1.4264 1.4264 1.4381 1.4381 2.8937 2.8937 2.9229 2.9229 3.0683 3.0683 3.0953 3.0953 3.6100 3.6100 3.6119 3.6119 10.3138 10.3138 10.3152 10.3152 10.6556 10.6556 10.6602 10.6602 11.3607 11.3607 k = 0.0909 0.0364 1.3445 ( 12112 PWs) bands (ev): -14.7517 -14.7517 -14.7517 -14.7517 -13.5001 -13.5001 -13.5001 -13.5001 -12.5620 -12.5620 -12.5618 -12.5618 -3.9872 -3.9872 -3.9170 -3.9170 -3.2378 -3.2378 -3.0172 -3.0172 -2.5148 -2.5148 -2.3854 -2.3854 -2.0330 -2.0330 -1.9642 -1.9642 -0.4513 -0.4513 -0.3928 -0.3928 1.4246 1.4246 1.4399 1.4399 2.8875 2.8875 2.9244 2.9244 3.0684 3.0684 3.1024 3.1024 3.6084 3.6084 3.6109 3.6109 10.3234 10.3234 10.3253 10.3253 10.6370 10.6370 10.6426 10.6426 11.3678 11.3678 k = 0.1136 0.0455 1.3445 ( 12104 PWs) bands (ev): -14.7517 -14.7517 -14.7517 -14.7517 -13.5001 -13.5001 -13.5001 -13.5001 -12.5620 -12.5620 -12.5618 -12.5618 -3.9938 -3.9938 -3.9084 -3.9084 -3.2569 -3.2569 -2.9833 -2.9833 -2.5456 -2.5456 -2.3826 -2.3826 -2.0336 -2.0336 -1.9503 -1.9503 -0.4587 -0.4587 -0.3877 -0.3877 1.4231 1.4231 1.4415 1.4415 2.8817 2.8817 2.9250 2.9250 3.0697 3.0697 3.1095 3.1095 3.6067 3.6067 3.6098 3.6098 10.3357 10.3357 10.3381 10.3381 10.6150 10.6150 10.6213 10.6213 11.3761 11.3761 k = 0.1364 0.0546 1.3445 ( 12120 PWs) bands (ev): -14.7517 -14.7517 -14.7517 -14.7517 -13.5002 -13.5002 -13.5001 -13.5001 -12.5620 -12.5620 -12.5618 -12.5618 -3.9994 -3.9994 -3.9005 -3.9005 -3.2736 -3.2736 -2.9486 -2.9486 -2.5785 -2.5785 -2.3812 -2.3812 -2.0332 -2.0332 -1.9372 -1.9372 -0.4656 -0.4656 -0.3835 -0.3835 1.4217 1.4217 1.4430 1.4430 2.8765 2.8765 2.9248 2.9248 3.0718 3.0718 3.1161 3.1161 3.6050 3.6050 3.6085 3.6085 10.3506 10.3506 10.3534 10.3534 10.5906 10.5906 10.5972 10.5972 11.3849 11.3849 k = 0.1591 0.0637 1.3445 ( 12114 PWs) bands (ev): -14.7517 -14.7517 -14.7517 -14.7517 -13.5002 -13.5002 -13.5001 -13.5001 -12.5620 -12.5620 -12.5618 -12.5618 -4.0041 -4.0041 -3.8937 -3.8937 -3.2877 -3.2877 -2.9131 -2.9131 -2.6129 -2.6129 -2.3808 -2.3808 -2.0323 -2.0323 -1.9254 -1.9254 -0.4716 -0.4716 -0.3800 -0.3800 1.4205 1.4205 1.4442 1.4442 2.8720 2.8720 2.9242 2.9242 3.0742 3.0742 3.1220 3.1220 3.6033 3.6033 3.6073 3.6073 10.3679 10.3679 10.3711 10.3711 10.5645 10.5645 10.5713 10.5713 11.3932 11.3932 k = 0.1818 0.0728 1.3445 ( 12122 PWs) bands (ev): -14.7517 -14.7517 -14.7517 -14.7517 -13.5002 -13.5002 -13.5000 -13.5000 -12.5620 -12.5620 -12.5618 -12.5618 -4.0078 -4.0078 -3.8880 -3.8880 -3.2989 -3.2989 -2.8770 -2.8770 -2.6485 -2.6485 -2.3809 -2.3809 -2.0313 -2.0313 -1.9157 -1.9157 -0.4764 -0.4764 -0.3772 -0.3772 1.4196 1.4196 1.4452 1.4452 2.8684 2.8684 2.9234 2.9234 3.0765 3.0765 3.1268 3.1268 3.6018 3.6018 3.6062 3.6062 10.3874 10.3874 10.3911 10.3911 10.5376 10.5376 10.5443 10.5443 11.4005 11.4005 k = 0.2045 0.0819 1.3445 ( 12118 PWs) bands (ev): -14.7517 -14.7517 -14.7517 -14.7517 -13.5002 -13.5002 -13.5000 -13.5000 -12.5620 -12.5620 -12.5618 -12.5618 -4.0105 -4.0105 -3.8838 -3.8838 -3.3070 -3.3070 -2.8408 -2.8408 -2.6845 -2.6845 -2.3811 -2.3811 -2.0304 -2.0304 -1.9085 -1.9085 -0.4801 -0.4801 -0.3753 -0.3753 1.4189 1.4189 1.4459 1.4459 2.8658 2.8658 2.9226 2.9226 3.0784 3.0784 3.1305 3.1305 3.6006 3.6006 3.6054 3.6054 10.4090 10.4090 10.4131 10.4131 10.5104 10.5104 10.5170 10.5170 11.4060 11.4069 k = 0.2273 0.0910 1.3445 ( 12098 PWs) bands (ev): -14.7517 -14.7517 -14.7517 -14.7517 -13.5002 -13.5002 -13.5000 -13.5000 -12.5620 -12.5620 -12.5618 -12.5618 -4.0121 -4.0121 -3.8812 -3.8812 -3.3120 -3.3120 -2.8059 -2.8059 -2.7193 -2.7193 -2.3814 -2.3814 -2.0297 -2.0297 -1.9040 -1.9040 -0.4823 -0.4823 -0.3741 -0.3741 1.4185 1.4185 1.4463 1.4463 2.8641 2.8641 2.9221 2.9221 3.0797 3.0797 3.1327 3.1327 3.5999 3.5999 3.6048 3.6048 10.4324 10.4324 10.4365 10.4365 10.4835 10.4835 10.4902 10.4902 11.4096 11.4097 k = 0.2500 0.1002 1.3445 ( 12100 PWs) bands (ev): -14.7517 -14.7517 -14.7517 -14.7517 -13.5002 -13.5002 -13.5000 -13.5000 -12.5620 -12.5620 -12.5618 -12.5618 -4.0127 -4.0127 -3.8803 -3.8803 -3.3136 -3.3136 -2.7839 -2.7839 -2.7413 -2.7413 -2.3815 -2.3815 -2.0295 -2.0295 -1.9025 -1.9025 -0.4831 -0.4831 -0.3737 -0.3737 1.4183 1.4183 1.4465 1.4465 2.8636 2.8636 2.9219 2.9219 3.0801 3.0801 3.1335 3.1335 3.5997 3.5997 3.6046 3.6046 10.4560 10.4560 10.4570 10.4570 10.4578 10.4578 10.4696 10.4696 11.4107 11.4108 Writing output data file CsH3O2.save init_run : 1.76s CPU 1.23s WALL ( 1 calls) electrons : 1627.64s CPU 1260.67s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.16s CPU 0.23s WALL ( 1 calls) Called by electrons: c_bands : 1627.63s CPU 1260.66s WALL ( 1 calls) v_of_rho : 0.05s CPU 0.03s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.05s CPU 0.02s WALL ( 1 calls) newd : 0.67s CPU 0.39s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.61s CPU 0.52s WALL ( 309 calls) cegterg : 1483.32s CPU 1182.61s WALL ( 969 calls) Called by sum_band: Called by *egterg: h_psi : 1227.28s CPU 866.16s WALL ( 17831 calls) s_psi : 8.98s CPU 8.26s WALL ( 17831 calls) g_psi : 0.44s CPU 0.56s WALL ( 16553 calls) cdiaghg : 309.59s CPU 306.77s WALL ( 16862 calls) cegterg:over : 28.40s CPU 28.93s WALL ( 16553 calls) cegterg:upda : 21.22s CPU 21.82s WALL ( 16553 calls) cegterg:last : 8.85s CPU 8.86s WALL ( 1898 calls) cdiaghg:chol : 11.78s CPU 11.80s WALL ( 16862 calls) cdiaghg:inve : 6.59s CPU 6.51s WALL ( 16862 calls) cdiaghg:para : 20.00s CPU 20.17s WALL ( 33724 calls) Called by h_psi: h_psi:vloc : 1181.62s CPU 823.07s WALL ( 17831 calls) h_psi:vnl : 44.98s CPU 42.44s WALL ( 17831 calls) add_vuspsi : 25.32s CPU 23.66s WALL ( 17831 calls) General routines calbec : 19.57s CPU 18.72s WALL ( 17831 calls) fft : 0.09s CPU 0.07s WALL ( 19 calls) ffts : 0.04s CPU 0.02s WALL ( 4 calls) fftw : 1147.76s CPU 792.02s WALL ( 1329180 calls) interpolate : 0.06s CPU 0.03s WALL ( 4 calls) davcio : 0.30s CPU 1.38s WALL ( 618 calls) Parallel routines fft_scatter : 470.29s CPU 434.41s WALL ( 1329203 calls) PWSCF : 28m12.78s CPU 22m28.90s WALL This run was terminated on: 4:57:46 22Mar2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=