Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:40: 8 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./LiNO3.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 43 43 12 1268 1268 192 Max 44 44 13 1273 1273 194 Sum 1575 1575 449 45739 45739 6941 bravais-lattice index = 14 lattice parameter (alat) = 6.9941 a.u. unit-cell volume = 323.3966 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 26.00 number of Kohn-Sham states= 34 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.994096 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.202620 celldm(5)= 0.202620 celldm(6)= 0.202620 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.202620 0.979258 0.000000 ) a(3) = ( 0.202620 0.164987 0.965259 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.206911 -0.174546 ) b(2) = ( 0.000000 1.021182 -0.174546 ) b(3) = ( 0.000000 0.000000 1.035992 ) 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 Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 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 atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Li 3.00 6.94100 Li( 1.00) N 5.00 14.00670 N( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 347 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028818 k( 2) = ( 0.0113636 -0.0023513 -0.0019835), wk = 0.0028818 k( 3) = ( 0.0227273 -0.0047025 -0.0039669), wk = 0.0028818 k( 4) = ( 0.0340909 -0.0070538 -0.0059504), wk = 0.0028818 k( 5) = ( 0.0454546 -0.0094051 -0.0079339), wk = 0.0028818 k( 6) = ( 0.0568182 -0.0117563 -0.0099174), wk = 0.0028818 k( 7) = ( 0.0681818 -0.0141076 -0.0119008), wk = 0.0028818 k( 8) = ( 0.0795455 -0.0164589 -0.0138843), wk = 0.0028818 k( 9) = ( 0.0909091 -0.0188101 -0.0158678), wk = 0.0028818 k( 10) = ( 0.1022727 -0.0211614 -0.0178513), wk = 0.0028818 k( 11) = ( 0.1136364 -0.0235127 -0.0198347), wk = 0.0028818 k( 12) = ( 0.1250000 -0.0258639 -0.0218182), wk = 0.0028818 k( 13) = ( 0.1363636 -0.0282152 -0.0238017), wk = 0.0028818 k( 14) = ( 0.1477273 -0.0305665 -0.0257852), wk = 0.0028818 k( 15) = ( 0.1590909 -0.0329177 -0.0277686), wk = 0.0028818 k( 16) = ( 0.1704546 -0.0352690 -0.0297521), wk = 0.0028818 k( 17) = ( 0.1818182 -0.0376203 -0.0317356), wk = 0.0028818 k( 18) = ( 0.1931818 -0.0399715 -0.0337191), wk = 0.0028818 k( 19) = ( 0.2045454 -0.0423228 -0.0357025), wk = 0.0028818 k( 20) = ( 0.2159091 -0.0446741 -0.0376860), wk = 0.0028818 k( 21) = ( 0.2272727 -0.0470253 -0.0396695), wk = 0.0028818 k( 22) = ( 0.2386364 -0.0493766 -0.0416530), wk = 0.0028818 k( 23) = ( 0.2500000 -0.0517279 -0.0436364), wk = 0.0028818 k( 24) = ( 0.2613636 -0.0540791 -0.0456199), wk = 0.0028818 k( 25) = ( 0.2727273 -0.0564304 -0.0476034), wk = 0.0028818 k( 26) = ( 0.2840909 -0.0587816 -0.0495869), wk = 0.0028818 k( 27) = ( 0.2954545 -0.0611329 -0.0515703), wk = 0.0028818 k( 28) = ( 0.3068182 -0.0634842 -0.0535538), wk = 0.0028818 k( 29) = ( 0.3181818 -0.0658354 -0.0555373), wk = 0.0028818 k( 30) = ( 0.3295455 -0.0681867 -0.0575208), wk = 0.0028818 k( 31) = ( 0.3409091 -0.0705380 -0.0595042), wk = 0.0028818 k( 32) = ( 0.3522727 -0.0728892 -0.0614877), wk = 0.0028818 k( 33) = ( 0.3636364 -0.0752405 -0.0634712), wk = 0.0028818 k( 34) = ( 0.3750000 -0.0775918 -0.0654547), wk = 0.0028818 k( 35) = ( 0.3863636 -0.0799430 -0.0674381), wk = 0.0028818 k( 36) = ( 0.3977273 -0.0822943 -0.0694216), wk = 0.0028818 k( 37) = ( 0.4090909 -0.0846456 -0.0714051), wk = 0.0028818 k( 38) = ( 0.4204545 -0.0869968 -0.0733886), wk = 0.0028818 k( 39) = ( 0.4318182 -0.0893481 -0.0753720), wk = 0.0028818 k( 40) = ( 0.4431818 -0.0916994 -0.0773555), wk = 0.0028818 k( 41) = ( 0.4545455 -0.0940506 -0.0793390), wk = 0.0028818 k( 42) = ( 0.4659091 -0.0964019 -0.0813225), wk = 0.0028818 k( 43) = ( 0.4772727 -0.0987532 -0.0833059), wk = 0.0028818 k( 44) = ( 0.4886364 -0.1011044 -0.0852894), wk = 0.0028818 k( 45) = ( 0.5000000 -0.1034557 -0.0872729), wk = 0.0028818 k( 46) = ( 0.5000000 -0.1034557 -0.0872729), wk = 0.0028818 k( 47) = ( 0.5000000 -0.0958859 -0.0962463), wk = 0.0028818 k( 48) = ( 0.5000000 -0.0883162 -0.1052197), wk = 0.0028818 k( 49) = ( 0.5000000 -0.0807464 -0.1141931), wk = 0.0028818 k( 50) = ( 0.5000000 -0.0731767 -0.1231665), wk = 0.0028818 k( 51) = ( 0.5000000 -0.0656069 -0.1321399), wk = 0.0028818 k( 52) = ( 0.5000000 -0.0580372 -0.1411132), wk = 0.0028818 k( 53) = ( 0.5000000 -0.0504674 -0.1500866), wk = 0.0028818 k( 54) = ( 0.5000000 -0.0428977 -0.1590600), wk = 0.0028818 k( 55) = ( 0.5000000 -0.0353279 -0.1680334), wk = 0.0028818 k( 56) = ( 0.5000000 -0.0277582 -0.1770068), wk = 0.0028818 k( 57) = ( 0.5000000 -0.0201884 -0.1859802), wk = 0.0028818 k( 58) = ( 0.5000000 -0.0126187 -0.1949536), wk = 0.0028818 k( 59) = ( 0.5000000 -0.0050489 -0.2039270), wk = 0.0028818 k( 60) = ( 0.5000000 0.0025208 -0.2129004), wk = 0.0028818 k( 61) = ( 0.5000000 0.0100906 -0.2218738), wk = 0.0028818 k( 62) = ( 0.5000000 0.0176603 -0.2308472), wk = 0.0028818 k( 63) = ( 0.5000000 0.0252301 -0.2398206), wk = 0.0028818 k( 64) = ( 0.5000000 0.0327998 -0.2487940), wk = 0.0028818 k( 65) = ( 0.5000000 0.0403696 -0.2577674), wk = 0.0028818 k( 66) = ( 0.5000000 0.0479393 -0.2667408), wk = 0.0028818 k( 67) = ( 0.5000000 0.0555091 -0.2757142), wk = 0.0028818 k( 68) = ( 0.5000000 0.0630788 -0.2846876), wk = 0.0028818 k( 69) = ( 0.5000000 0.0706486 -0.2936609), wk = 0.0028818 k( 70) = ( 0.5000000 0.0782183 -0.3026343), wk = 0.0028818 k( 71) = ( 0.5000000 0.0857881 -0.3116077), wk = 0.0028818 k( 72) = ( 0.5000000 0.0933578 -0.3205811), wk = 0.0028818 k( 73) = ( 0.5000000 0.1009276 -0.3295545), wk = 0.0028818 k( 74) = ( 0.5000000 0.1084973 -0.3385279), wk = 0.0028818 k( 75) = ( 0.5000000 0.1160671 -0.3475013), wk = 0.0028818 k( 76) = ( 0.5000000 0.1236368 -0.3564747), wk = 0.0028818 k( 77) = ( 0.5000000 0.1312066 -0.3654481), wk = 0.0028818 k( 78) = ( 0.5000000 0.1387763 -0.3744215), wk = 0.0028818 k( 79) = ( 0.5000000 0.1463461 -0.3833949), wk = 0.0028818 k( 80) = ( 0.5000000 0.1539158 -0.3923683), wk = 0.0028818 k( 81) = ( 0.5000000 0.1614856 -0.4013417), wk = 0.0028818 k( 82) = ( 0.5000000 0.1690554 -0.4103151), wk = 0.0028818 k( 83) = ( 0.5000000 0.1766251 -0.4192885), wk = 0.0028818 k( 84) = ( 0.5000000 0.1841949 -0.4282618), wk = 0.0028818 k( 85) = ( 0.5000000 0.1917646 -0.4372352), wk = 0.0028818 k( 86) = ( 0.5000000 0.1993344 -0.4462086), wk = 0.0028818 k( 87) = ( 0.5000000 0.2069041 -0.4551820), wk = 0.0028818 k( 88) = ( 0.5000000 0.2144739 -0.4641554), wk = 0.0028818 k( 89) = ( 0.5000000 0.2220436 -0.4731288), wk = 0.0028818 k( 90) = ( 0.5000000 0.2296134 -0.4821022), wk = 0.0028818 k( 91) = ( 0.5000000 0.2371831 -0.4910756), wk = 0.0028818 k( 92) = ( 0.5000000 0.2447529 -0.5000490), wk = 0.0028818 k( 93) = ( 0.5000000 0.2523226 -0.5090224), wk = 0.0028818 k( 94) = ( 0.5000000 0.2598924 -0.5179958), wk = 0.0028818 k( 95) = ( 0.6441887 0.3773009 0.1689043), wk = 0.0028818 k( 96) = ( 0.6369792 0.3787926 0.1776316), wk = 0.0028818 k( 97) = ( 0.6297698 0.3802844 0.1863588), wk = 0.0028818 k( 98) = ( 0.6225604 0.3817761 0.1950861), wk = 0.0028818 k( 99) = ( 0.6153509 0.3832678 0.2038134), wk = 0.0028818 k( 100) = ( 0.6081415 0.3847595 0.2125407), wk = 0.0028818 k( 101) = ( 0.6009321 0.3862512 0.2212680), wk = 0.0028818 k( 102) = ( 0.5937226 0.3877429 0.2299953), wk = 0.0028818 k( 103) = ( 0.5865132 0.3892346 0.2387226), wk = 0.0028818 k( 104) = ( 0.5793038 0.3907264 0.2474499), wk = 0.0028818 k( 105) = ( 0.5720943 0.3922181 0.2561771), wk = 0.0028818 k( 106) = ( 0.5648849 0.3937098 0.2649044), wk = 0.0028818 k( 107) = ( 0.5576755 0.3952015 0.2736317), wk = 0.0028818 k( 108) = ( 0.5504660 0.3966932 0.2823590), wk = 0.0028818 k( 109) = ( 0.5432566 0.3981849 0.2910863), wk = 0.0028818 k( 110) = ( 0.5360472 0.3996766 0.2998136), wk = 0.0028818 k( 111) = ( 0.5288377 0.4011684 0.3085409), wk = 0.0028818 k( 112) = ( 0.5216283 0.4026601 0.3172682), wk = 0.0028818 k( 113) = ( 0.5144189 0.4041518 0.3259954), wk = 0.0028818 k( 114) = ( 0.5072094 0.4056435 0.3347227), wk = 0.0028818 k( 115) = ( 0.5000000 0.4071352 0.3434500), wk = 0.0028818 k( 116) = ( 0.5000000 0.4071352 0.3434500), wk = 0.0028818 k( 117) = ( 0.4920635 0.4006727 0.3379984), wk = 0.0028818 k( 118) = ( 0.4841270 0.3942103 0.3325468), wk = 0.0028818 k( 119) = ( 0.4761905 0.3877478 0.3270953), wk = 0.0028818 k( 120) = ( 0.4682540 0.3812854 0.3216437), wk = 0.0028818 k( 121) = ( 0.4603175 0.3748229 0.3161921), wk = 0.0028818 k( 122) = ( 0.4523810 0.3683604 0.3107405), wk = 0.0028818 k( 123) = ( 0.4444444 0.3618980 0.3052889), wk = 0.0028818 k( 124) = ( 0.4365079 0.3554355 0.2998373), wk = 0.0028818 k( 125) = ( 0.4285714 0.3489730 0.2943857), wk = 0.0028818 k( 126) = ( 0.4206349 0.3425106 0.2889341), wk = 0.0028818 k( 127) = ( 0.4126984 0.3360481 0.2834826), wk = 0.0028818 k( 128) = ( 0.4047619 0.3295856 0.2780310), wk = 0.0028818 k( 129) = ( 0.3968254 0.3231232 0.2725794), wk = 0.0028818 k( 130) = ( 0.3888889 0.3166607 0.2671278), wk = 0.0028818 k( 131) = ( 0.3809524 0.3101983 0.2616762), wk = 0.0028818 k( 132) = ( 0.3730159 0.3037358 0.2562246), wk = 0.0028818 k( 133) = ( 0.3650794 0.2972733 0.2507730), wk = 0.0028818 k( 134) = ( 0.3571429 0.2908109 0.2453214), wk = 0.0028818 k( 135) = ( 0.3492063 0.2843484 0.2398699), wk = 0.0028818 k( 136) = ( 0.3412698 0.2778859 0.2344183), wk = 0.0028818 k( 137) = ( 0.3333333 0.2714235 0.2289667), wk = 0.0028818 k( 138) = ( 0.3253968 0.2649610 0.2235151), wk = 0.0028818 k( 139) = ( 0.3174603 0.2584986 0.2180635), wk = 0.0028818 k( 140) = ( 0.3095238 0.2520361 0.2126119), wk = 0.0028818 k( 141) = ( 0.3015873 0.2455736 0.2071603), wk = 0.0028818 k( 142) = ( 0.2936508 0.2391112 0.2017087), wk = 0.0028818 k( 143) = ( 0.2857143 0.2326487 0.1962572), wk = 0.0028818 k( 144) = ( 0.2777778 0.2261862 0.1908056), wk = 0.0028818 k( 145) = ( 0.2698413 0.2197238 0.1853540), wk = 0.0028818 k( 146) = ( 0.2619048 0.2132613 0.1799024), wk = 0.0028818 k( 147) = ( 0.2539683 0.2067988 0.1744508), wk = 0.0028818 k( 148) = ( 0.2460317 0.2003364 0.1689992), wk = 0.0028818 k( 149) = ( 0.2380952 0.1938739 0.1635476), wk = 0.0028818 k( 150) = ( 0.2301587 0.1874114 0.1580960), wk = 0.0028818 k( 151) = ( 0.2222222 0.1809490 0.1526445), wk = 0.0028818 k( 152) = ( 0.2142857 0.1744865 0.1471929), wk = 0.0028818 k( 153) = ( 0.2063492 0.1680241 0.1417413), wk = 0.0028818 k( 154) = ( 0.1984127 0.1615616 0.1362897), wk = 0.0028818 k( 155) = ( 0.1904762 0.1550991 0.1308381), wk = 0.0028818 k( 156) = ( 0.1825397 0.1486367 0.1253865), wk = 0.0028818 k( 157) = ( 0.1746032 0.1421742 0.1199349), wk = 0.0028818 k( 158) = ( 0.1666667 0.1357117 0.1144833), wk = 0.0028818 k( 159) = ( 0.1587302 0.1292493 0.1090318), wk = 0.0028818 k( 160) = ( 0.1507937 0.1227868 0.1035802), wk = 0.0028818 k( 161) = ( 0.1428571 0.1163243 0.0981286), wk = 0.0028818 k( 162) = ( 0.1349206 0.1098619 0.0926770), wk = 0.0028818 k( 163) = ( 0.1269841 0.1033994 0.0872254), wk = 0.0028818 k( 164) = ( 0.1190476 0.0969370 0.0817738), wk = 0.0028818 k( 165) = ( 0.1111111 0.0904745 0.0763222), wk = 0.0028818 k( 166) = ( 0.1031746 0.0840120 0.0708706), wk = 0.0028818 k( 167) = ( 0.0952381 0.0775496 0.0654191), wk = 0.0028818 k( 168) = ( 0.0873016 0.0710871 0.0599675), wk = 0.0028818 k( 169) = ( 0.0793651 0.0646246 0.0545159), wk = 0.0028818 k( 170) = ( 0.0714286 0.0581622 0.0490643), wk = 0.0028818 k( 171) = ( 0.0634921 0.0516997 0.0436127), wk = 0.0028818 k( 172) = ( 0.0555556 0.0452372 0.0381611), wk = 0.0028818 k( 173) = ( 0.0476191 0.0387748 0.0327095), wk = 0.0028818 k( 174) = ( 0.0396825 0.0323123 0.0272579), wk = 0.0028818 k( 175) = ( 0.0317460 0.0258499 0.0218063), wk = 0.0028818 k( 176) = ( 0.0238095 0.0193874 0.0163548), wk = 0.0028818 k( 177) = ( 0.0158730 0.0129249 0.0109032), wk = 0.0028818 k( 178) = ( 0.0079365 0.0064625 0.0054516), wk = 0.0028818 k( 179) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028818 k( 180) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028818 k( 181) = ( 0.0073777 -0.0015265 -0.0089310), wk = 0.0028818 k( 182) = ( 0.0147554 -0.0030531 -0.0178619), wk = 0.0028818 k( 183) = ( 0.0221331 -0.0045796 -0.0267929), wk = 0.0028818 k( 184) = ( 0.0295107 -0.0061061 -0.0357239), wk = 0.0028818 k( 185) = ( 0.0368884 -0.0076326 -0.0446548), wk = 0.0028818 k( 186) = ( 0.0442661 -0.0091592 -0.0535858), wk = 0.0028818 k( 187) = ( 0.0516438 -0.0106857 -0.0625167), wk = 0.0028818 k( 188) = ( 0.0590215 -0.0122122 -0.0714477), wk = 0.0028818 k( 189) = ( 0.0663992 -0.0137387 -0.0803787), wk = 0.0028818 k( 190) = ( 0.0737768 -0.0152653 -0.0893096), wk = 0.0028818 k( 191) = ( 0.0811545 -0.0167918 -0.0982406), wk = 0.0028818 k( 192) = ( 0.0885322 -0.0183183 -0.1071715), wk = 0.0028818 k( 193) = ( 0.0959099 -0.0198448 -0.1161025), wk = 0.0028818 k( 194) = ( 0.1032876 -0.0213714 -0.1250335), wk = 0.0028818 k( 195) = ( 0.1106653 -0.0228979 -0.1339644), wk = 0.0028818 k( 196) = ( 0.1180429 -0.0244244 -0.1428954), wk = 0.0028818 k( 197) = ( 0.1254206 -0.0259510 -0.1518264), wk = 0.0028818 k( 198) = ( 0.1327983 -0.0274775 -0.1607573), wk = 0.0028818 k( 199) = ( 0.1401760 -0.0290040 -0.1696883), wk = 0.0028818 k( 200) = ( 0.1475537 -0.0305305 -0.1786192), wk = 0.0028818 k( 201) = ( 0.1549314 -0.0320571 -0.1875502), wk = 0.0028818 k( 202) = ( 0.1623091 -0.0335836 -0.1964812), wk = 0.0028818 k( 203) = ( 0.1696867 -0.0351101 -0.2054121), wk = 0.0028818 k( 204) = ( 0.1770644 -0.0366366 -0.2143431), wk = 0.0028818 k( 205) = ( 0.1844421 -0.0381632 -0.2232740), wk = 0.0028818 k( 206) = ( 0.1918198 -0.0396897 -0.2322050), wk = 0.0028818 k( 207) = ( 0.1991975 -0.0412162 -0.2411360), wk = 0.0028818 k( 208) = ( 0.2065752 -0.0427428 -0.2500669), wk = 0.0028818 k( 209) = ( 0.2139528 -0.0442693 -0.2589979), wk = 0.0028818 k( 210) = ( 0.2213305 -0.0457958 -0.2679289), wk = 0.0028818 k( 211) = ( 0.2287082 -0.0473223 -0.2768598), wk = 0.0028818 k( 212) = ( 0.2360859 -0.0488489 -0.2857908), wk = 0.0028818 k( 213) = ( 0.2434636 -0.0503754 -0.2947217), wk = 0.0028818 k( 214) = ( 0.2508413 -0.0519019 -0.3036527), wk = 0.0028818 k( 215) = ( 0.2582189 -0.0534284 -0.3125837), wk = 0.0028818 k( 216) = ( 0.2655966 -0.0549550 -0.3215146), wk = 0.0028818 k( 217) = ( 0.2729743 -0.0564815 -0.3304456), wk = 0.0028818 k( 218) = ( 0.2803520 -0.0580080 -0.3393766), wk = 0.0028818 k( 219) = ( 0.2877297 -0.0595345 -0.3483075), wk = 0.0028818 k( 220) = ( 0.2951074 -0.0610611 -0.3572385), wk = 0.0028818 k( 221) = ( 0.3024850 -0.0625876 -0.3661694), wk = 0.0028818 k( 222) = ( 0.3098627 -0.0641141 -0.3751004), wk = 0.0028818 k( 223) = ( 0.3172404 -0.0656407 -0.3840314), wk = 0.0028818 k( 224) = ( 0.3246181 -0.0671672 -0.3929623), wk = 0.0028818 k( 225) = ( 0.3319958 -0.0686937 -0.4018933), wk = 0.0028818 k( 226) = ( 0.3393735 -0.0702202 -0.4108242), wk = 0.0028818 k( 227) = ( 0.3467511 -0.0717468 -0.4197552), wk = 0.0028818 k( 228) = ( 0.3541288 -0.0732733 -0.4286862), wk = 0.0028818 k( 229) = ( 0.3615065 -0.0747998 -0.4376171), wk = 0.0028818 k( 230) = ( 0.3688842 -0.0763263 -0.4465481), wk = 0.0028818 k( 231) = ( 0.3762619 -0.0778529 -0.4554791), wk = 0.0028818 k( 232) = ( 0.3836396 -0.0793794 -0.4644100), wk = 0.0028818 k( 233) = ( 0.3910172 -0.0809059 -0.4733410), wk = 0.0028818 k( 234) = ( 0.3983949 -0.0824325 -0.4822719), wk = 0.0028818 k( 235) = ( 0.4057726 -0.0839590 -0.4912029), wk = 0.0028818 k( 236) = ( 0.4131503 -0.0854855 -0.5001339), wk = 0.0028818 k( 237) = ( 0.4205280 -0.0870120 -0.5090648), wk = 0.0028818 k( 238) = ( 0.4279057 -0.0885386 -0.5179958), wk = 0.0028818 k( 239) = ( 0.5720943 0.3185967 -0.1745458), wk = 0.0028818 k( 240) = ( 0.5648849 0.3274505 -0.1745458), wk = 0.0028818 k( 241) = ( 0.5576755 0.3363044 -0.1745458), wk = 0.0028818 k( 242) = ( 0.5504660 0.3451582 -0.1745458), wk = 0.0028818 k( 243) = ( 0.5432566 0.3540121 -0.1745458), wk = 0.0028818 k( 244) = ( 0.5360472 0.3628659 -0.1745458), wk = 0.0028818 k( 245) = ( 0.5288377 0.3717198 -0.1745458), wk = 0.0028818 k( 246) = ( 0.5216283 0.3805736 -0.1745458), wk = 0.0028818 k( 247) = ( 0.5144189 0.3894275 -0.1745458), wk = 0.0028818 k( 248) = ( 0.5072094 0.3982814 -0.1745458), wk = 0.0028818 k( 249) = ( 0.5000000 0.4071352 -0.1745458), wk = 0.0028818 k( 250) = ( 0.5000000 0.4071352 -0.1745458), wk = 0.0028818 k( 251) = ( 0.5023256 0.4090289 -0.1634667), wk = 0.0028818 k( 252) = ( 0.5046512 0.4109226 -0.1523877), wk = 0.0028818 k( 253) = ( 0.5069769 0.4128163 -0.1413087), wk = 0.0028818 k( 254) = ( 0.5093025 0.4147100 -0.1302296), wk = 0.0028818 k( 255) = ( 0.5116281 0.4166036 -0.1191506), wk = 0.0028818 k( 256) = ( 0.5139537 0.4184973 -0.1080716), wk = 0.0028818 k( 257) = ( 0.5162794 0.4203910 -0.0969925), wk = 0.0028818 k( 258) = ( 0.5186050 0.4222847 -0.0859135), wk = 0.0028818 k( 259) = ( 0.5209306 0.4241784 -0.0748345), wk = 0.0028818 k( 260) = ( 0.5232562 0.4260721 -0.0637554), wk = 0.0028818 k( 261) = ( 0.5255819 0.4279658 -0.0526764), wk = 0.0028818 k( 262) = ( 0.5279075 0.4298594 -0.0415974), wk = 0.0028818 k( 263) = ( 0.5302331 0.4317531 -0.0305183), wk = 0.0028818 k( 264) = ( 0.5325587 0.4336468 -0.0194393), wk = 0.0028818 k( 265) = ( 0.5348844 0.4355405 -0.0083603), wk = 0.0028818 k( 266) = ( 0.5372100 0.4374342 0.0027188), wk = 0.0028818 k( 267) = ( 0.5395356 0.4393279 0.0137978), wk = 0.0028818 k( 268) = ( 0.5418612 0.4412216 0.0248768), wk = 0.0028818 k( 269) = ( 0.5441868 0.4431153 0.0359559), wk = 0.0028818 k( 270) = ( 0.5465125 0.4450089 0.0470349), wk = 0.0028818 k( 271) = ( 0.5488381 0.4469026 0.0581139), wk = 0.0028818 k( 272) = ( 0.5511637 0.4487963 0.0691930), wk = 0.0028818 k( 273) = ( 0.5534893 0.4506900 0.0802720), wk = 0.0028818 k( 274) = ( 0.5558150 0.4525837 0.0913510), wk = 0.0028818 k( 275) = ( 0.5581406 0.4544774 0.1024301), wk = 0.0028818 k( 276) = ( 0.5604662 0.4563711 0.1135091), wk = 0.0028818 k( 277) = ( 0.5627918 0.4582648 0.1245881), wk = 0.0028818 k( 278) = ( 0.5651175 0.4601584 0.1356672), wk = 0.0028818 k( 279) = ( 0.5674431 0.4620521 0.1467462), wk = 0.0028818 k( 280) = ( 0.5697687 0.4639458 0.1578252), wk = 0.0028818 k( 281) = ( 0.5720943 0.4658395 0.1689043), wk = 0.0028818 k( 282) = ( 0.5720943 0.4658395 0.1689043), wk = 0.0028818 k( 283) = ( 0.5678535 0.4623863 0.1791717), wk = 0.0028818 k( 284) = ( 0.5636127 0.4589331 0.1894391), wk = 0.0028818 k( 285) = ( 0.5593718 0.4554799 0.1997065), wk = 0.0028818 k( 286) = ( 0.5551310 0.4520267 0.2099739), wk = 0.0028818 k( 287) = ( 0.5508901 0.4485735 0.2202413), wk = 0.0028818 k( 288) = ( 0.5466493 0.4451203 0.2305086), wk = 0.0028818 k( 289) = ( 0.5424084 0.4416671 0.2407761), wk = 0.0028818 k( 290) = ( 0.5381676 0.4382140 0.2510434), wk = 0.0028818 k( 291) = ( 0.5339267 0.4347608 0.2613108), wk = 0.0028818 k( 292) = ( 0.5296859 0.4313076 0.2715782), wk = 0.0028818 k( 293) = ( 0.5254451 0.4278544 0.2818456), wk = 0.0028818 k( 294) = ( 0.5212042 0.4244012 0.2921130), wk = 0.0028818 k( 295) = ( 0.5169634 0.4209480 0.3023804), wk = 0.0028818 k( 296) = ( 0.5127225 0.4174948 0.3126478), wk = 0.0028818 k( 297) = ( 0.5084817 0.4140416 0.3229152), wk = 0.0028818 k( 298) = ( 0.5042408 0.4105884 0.3331826), wk = 0.0028818 k( 299) = ( 0.5000000 0.4071352 0.3434500), wk = 0.0028818 k( 300) = ( 0.5000000 -0.1034557 -0.0872729), wk = 0.0028818 k( 301) = ( 0.5030678 -0.0947932 -0.0799654), wk = 0.0028818 k( 302) = ( 0.5061357 -0.0861308 -0.0726580), wk = 0.0028818 k( 303) = ( 0.5092035 -0.0774683 -0.0653505), wk = 0.0028818 k( 304) = ( 0.5122714 -0.0688059 -0.0580431), wk = 0.0028818 k( 305) = ( 0.5153392 -0.0601434 -0.0507356), wk = 0.0028818 k( 306) = ( 0.5184071 -0.0514810 -0.0434282), wk = 0.0028818 k( 307) = ( 0.5214749 -0.0428185 -0.0361208), wk = 0.0028818 k( 308) = ( 0.5245427 -0.0341561 -0.0288133), wk = 0.0028818 k( 309) = ( 0.5276106 -0.0254936 -0.0215059), wk = 0.0028818 k( 310) = ( 0.5306784 -0.0168312 -0.0141984), wk = 0.0028818 k( 311) = ( 0.5337463 -0.0081687 -0.0068910), wk = 0.0028818 k( 312) = ( 0.5368141 0.0004937 0.0004165), wk = 0.0028818 k( 313) = ( 0.5398820 0.0091562 0.0077239), wk = 0.0028818 k( 314) = ( 0.5429498 0.0178186 0.0150314), wk = 0.0028818 k( 315) = ( 0.5460177 0.0264811 0.0223388), wk = 0.0028818 k( 316) = ( 0.5490855 0.0351435 0.0296463), wk = 0.0028818 k( 317) = ( 0.5521533 0.0438060 0.0369537), wk = 0.0028818 k( 318) = ( 0.5552212 0.0524684 0.0442612), wk = 0.0028818 k( 319) = ( 0.5582890 0.0611309 0.0515686), wk = 0.0028818 k( 320) = ( 0.5613569 0.0697933 0.0588761), wk = 0.0028818 k( 321) = ( 0.5644247 0.0784558 0.0661835), wk = 0.0028818 k( 322) = ( 0.5674926 0.0871182 0.0734910), wk = 0.0028818 k( 323) = ( 0.5705604 0.0957807 0.0807984), wk = 0.0028818 k( 324) = ( 0.5736282 0.1044431 0.0881059), wk = 0.0028818 k( 325) = ( 0.5766961 0.1131056 0.0954133), wk = 0.0028818 k( 326) = ( 0.5797639 0.1217680 0.1027207), wk = 0.0028818 k( 327) = ( 0.5828318 0.1304305 0.1100282), wk = 0.0028818 k( 328) = ( 0.5858996 0.1390929 0.1173356), wk = 0.0028818 k( 329) = ( 0.5889675 0.1477554 0.1246431), wk = 0.0028818 k( 330) = ( 0.5920353 0.1564178 0.1319505), wk = 0.0028818 k( 331) = ( 0.5951032 0.1650803 0.1392580), wk = 0.0028818 k( 332) = ( 0.5981710 0.1737427 0.1465654), wk = 0.0028818 k( 333) = ( 0.6012388 0.1824052 0.1538729), wk = 0.0028818 k( 334) = ( 0.6043067 0.1910676 0.1611803), wk = 0.0028818 k( 335) = ( 0.6073745 0.1997301 0.1684878), wk = 0.0028818 k( 336) = ( 0.6104424 0.2083925 0.1757952), wk = 0.0028818 k( 337) = ( 0.6135102 0.2170550 0.1831027), wk = 0.0028818 k( 338) = ( 0.6165781 0.2257174 0.1904101), wk = 0.0028818 k( 339) = ( 0.6196459 0.2343799 0.1977176), wk = 0.0028818 k( 340) = ( 0.6227138 0.2430424 0.2050250), wk = 0.0028818 k( 341) = ( 0.6257816 0.2517048 0.2123325), wk = 0.0028818 k( 342) = ( 0.6288494 0.2603673 0.2196399), wk = 0.0028818 k( 343) = ( 0.6319173 0.2690297 0.2269474), wk = 0.0028818 k( 344) = ( 0.6349851 0.2776922 0.2342548), wk = 0.0028818 k( 345) = ( 0.6380530 0.2863546 0.2415623), wk = 0.0028818 k( 346) = ( 0.6411208 0.2950171 0.2488697), wk = 0.0028818 k( 347) = ( 0.6441887 0.3036795 0.2561771), wk = 0.0028818 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028818 k( 2) = ( 0.0113636 0.0000000 0.0000000), wk = 0.0028818 k( 3) = ( 0.0227273 -0.0000000 0.0000000), wk = 0.0028818 k( 4) = ( 0.0340909 0.0000000 0.0000000), wk = 0.0028818 k( 5) = ( 0.0454546 0.0000000 -0.0000000), wk = 0.0028818 k( 6) = ( 0.0568182 -0.0000000 -0.0000000), wk = 0.0028818 k( 7) = ( 0.0681818 0.0000000 0.0000000), wk = 0.0028818 k( 8) = ( 0.0795455 -0.0000000 -0.0000000), wk = 0.0028818 k( 9) = ( 0.0909091 0.0000000 0.0000000), wk = 0.0028818 k( 10) = ( 0.1022727 0.0000000 0.0000000), wk = 0.0028818 k( 11) = ( 0.1136364 -0.0000000 -0.0000000), wk = 0.0028818 k( 12) = ( 0.1250000 0.0000000 -0.0000000), wk = 0.0028818 k( 13) = ( 0.1363636 0.0000000 0.0000000), wk = 0.0028818 k( 14) = ( 0.1477273 0.0000000 -0.0000000), wk = 0.0028818 k( 15) = ( 0.1590909 0.0000000 0.0000000), wk = 0.0028818 k( 16) = ( 0.1704546 0.0000000 -0.0000000), wk = 0.0028818 k( 17) = ( 0.1818182 0.0000000 0.0000000), wk = 0.0028818 k( 18) = ( 0.1931818 0.0000000 -0.0000000), wk = 0.0028818 k( 19) = ( 0.2045454 -0.0000000 -0.0000000), wk = 0.0028818 k( 20) = ( 0.2159091 0.0000000 0.0000000), wk = 0.0028818 k( 21) = ( 0.2272727 0.0000000 -0.0000000), wk = 0.0028818 k( 22) = ( 0.2386364 0.0000000 0.0000000), wk = 0.0028818 k( 23) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0028818 k( 24) = ( 0.2613636 0.0000000 -0.0000000), wk = 0.0028818 k( 25) = ( 0.2727273 -0.0000000 0.0000000), wk = 0.0028818 k( 26) = ( 0.2840909 0.0000000 0.0000000), wk = 0.0028818 k( 27) = ( 0.2954545 0.0000000 -0.0000000), wk = 0.0028818 k( 28) = ( 0.3068182 0.0000000 0.0000000), wk = 0.0028818 k( 29) = ( 0.3181818 0.0000000 0.0000000), wk = 0.0028818 k( 30) = ( 0.3295455 0.0000000 0.0000000), wk = 0.0028818 k( 31) = ( 0.3409091 0.0000000 -0.0000000), wk = 0.0028818 k( 32) = ( 0.3522727 0.0000000 -0.0000000), wk = 0.0028818 k( 33) = ( 0.3636364 0.0000000 0.0000000), wk = 0.0028818 k( 34) = ( 0.3750000 -0.0000000 -0.0000000), wk = 0.0028818 k( 35) = ( 0.3863636 0.0000000 -0.0000000), wk = 0.0028818 k( 36) = ( 0.3977273 -0.0000000 0.0000000), wk = 0.0028818 k( 37) = ( 0.4090909 -0.0000000 0.0000000), wk = 0.0028818 k( 38) = ( 0.4204545 0.0000000 -0.0000000), wk = 0.0028818 k( 39) = ( 0.4318182 0.0000000 0.0000000), wk = 0.0028818 k( 40) = ( 0.4431818 0.0000000 0.0000000), wk = 0.0028818 k( 41) = ( 0.4545455 0.0000000 -0.0000000), wk = 0.0028818 k( 42) = ( 0.4659091 0.0000000 0.0000000), wk = 0.0028818 k( 43) = ( 0.4772727 0.0000000 0.0000000), wk = 0.0028818 k( 44) = ( 0.4886364 0.0000000 0.0000000), wk = 0.0028818 k( 45) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0028818 k( 46) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0028818 k( 47) = ( 0.5000000 0.0074127 -0.0074127), wk = 0.0028818 k( 48) = ( 0.5000000 0.0148255 -0.0148255), wk = 0.0028818 k( 49) = ( 0.5000000 0.0222382 -0.0222382), wk = 0.0028818 k( 50) = ( 0.5000000 0.0296509 -0.0296509), wk = 0.0028818 k( 51) = ( 0.5000000 0.0370637 -0.0370637), wk = 0.0028818 k( 52) = ( 0.5000000 0.0444764 -0.0444764), wk = 0.0028818 k( 53) = ( 0.5000000 0.0518892 -0.0518891), wk = 0.0028818 k( 54) = ( 0.5000000 0.0593019 -0.0593019), wk = 0.0028818 k( 55) = ( 0.5000000 0.0667146 -0.0667146), wk = 0.0028818 k( 56) = ( 0.5000000 0.0741274 -0.0741274), wk = 0.0028818 k( 57) = ( 0.5000000 0.0815401 -0.0815401), wk = 0.0028818 k( 58) = ( 0.5000000 0.0889528 -0.0889528), wk = 0.0028818 k( 59) = ( 0.5000000 0.0963656 -0.0963656), wk = 0.0028818 k( 60) = ( 0.5000000 0.1037783 -0.1037783), wk = 0.0028818 k( 61) = ( 0.5000000 0.1111910 -0.1111910), wk = 0.0028818 k( 62) = ( 0.5000000 0.1186038 -0.1186038), wk = 0.0028818 k( 63) = ( 0.5000000 0.1260165 -0.1260165), wk = 0.0028818 k( 64) = ( 0.5000000 0.1334292 -0.1334292), wk = 0.0028818 k( 65) = ( 0.5000000 0.1408420 -0.1408420), wk = 0.0028818 k( 66) = ( 0.5000000 0.1482547 -0.1482547), wk = 0.0028818 k( 67) = ( 0.5000000 0.1556675 -0.1556675), wk = 0.0028818 k( 68) = ( 0.5000000 0.1630802 -0.1630802), wk = 0.0028818 k( 69) = ( 0.5000000 0.1704929 -0.1704929), wk = 0.0028818 k( 70) = ( 0.5000000 0.1779057 -0.1779057), wk = 0.0028818 k( 71) = ( 0.5000000 0.1853184 -0.1853184), wk = 0.0028818 k( 72) = ( 0.5000000 0.1927311 -0.1927311), wk = 0.0028818 k( 73) = ( 0.5000000 0.2001439 -0.2001439), wk = 0.0028818 k( 74) = ( 0.5000000 0.2075566 -0.2075566), wk = 0.0028818 k( 75) = ( 0.5000000 0.2149694 -0.2149694), wk = 0.0028818 k( 76) = ( 0.5000000 0.2223821 -0.2223821), wk = 0.0028818 k( 77) = ( 0.5000000 0.2297948 -0.2297948), wk = 0.0028818 k( 78) = ( 0.5000000 0.2372076 -0.2372076), wk = 0.0028818 k( 79) = ( 0.5000000 0.2446203 -0.2446203), wk = 0.0028818 k( 80) = ( 0.5000000 0.2520330 -0.2520330), wk = 0.0028818 k( 81) = ( 0.5000000 0.2594458 -0.2594458), wk = 0.0028818 k( 82) = ( 0.5000000 0.2668585 -0.2668585), wk = 0.0028818 k( 83) = ( 0.5000000 0.2742712 -0.2742712), wk = 0.0028818 k( 84) = ( 0.5000000 0.2816840 -0.2816840), wk = 0.0028818 k( 85) = ( 0.5000000 0.2890967 -0.2890967), wk = 0.0028818 k( 86) = ( 0.5000000 0.2965094 -0.2965095), wk = 0.0028818 k( 87) = ( 0.5000000 0.3039222 -0.3039222), wk = 0.0028818 k( 88) = ( 0.5000000 0.3113349 -0.3113349), wk = 0.0028818 k( 89) = ( 0.5000000 0.3187476 -0.3187477), wk = 0.0028818 k( 90) = ( 0.5000000 0.3261604 -0.3261604), wk = 0.0028818 k( 91) = ( 0.5000000 0.3335731 -0.3335731), wk = 0.0028818 k( 92) = ( 0.5000000 0.3409859 -0.3409859), wk = 0.0028818 k( 93) = ( 0.5000000 0.3483986 -0.3483986), wk = 0.0028818 k( 94) = ( 0.5000000 0.3558113 -0.3558113), wk = 0.0028818 k( 95) = ( 0.6441887 0.5000000 0.3558113), wk = 0.0028818 k( 96) = ( 0.6369792 0.5000000 0.3630208), wk = 0.0028818 k( 97) = ( 0.6297698 0.5000000 0.3702302), wk = 0.0028818 k( 98) = ( 0.6225604 0.5000000 0.3774396), wk = 0.0028818 k( 99) = ( 0.6153509 0.5000000 0.3846491), wk = 0.0028818 k( 100) = ( 0.6081415 0.5000000 0.3918585), wk = 0.0028818 k( 101) = ( 0.6009321 0.5000000 0.3990679), wk = 0.0028818 k( 102) = ( 0.5937226 0.5000000 0.4062774), wk = 0.0028818 k( 103) = ( 0.5865132 0.5000000 0.4134868), wk = 0.0028818 k( 104) = ( 0.5793038 0.5000000 0.4206962), wk = 0.0028818 k( 105) = ( 0.5720943 0.5000000 0.4279057), wk = 0.0028818 k( 106) = ( 0.5648849 0.5000000 0.4351151), wk = 0.0028818 k( 107) = ( 0.5576755 0.5000000 0.4423245), wk = 0.0028818 k( 108) = ( 0.5504660 0.5000000 0.4495340), wk = 0.0028818 k( 109) = ( 0.5432566 0.5000000 0.4567434), wk = 0.0028818 k( 110) = ( 0.5360472 0.5000000 0.4639528), wk = 0.0028818 k( 111) = ( 0.5288377 0.5000000 0.4711623), wk = 0.0028818 k( 112) = ( 0.5216283 0.5000000 0.4783717), wk = 0.0028818 k( 113) = ( 0.5144189 0.5000000 0.4855811), wk = 0.0028818 k( 114) = ( 0.5072094 0.5000000 0.4927906), wk = 0.0028818 k( 115) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028818 k( 116) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028818 k( 117) = ( 0.4920635 0.4920635 0.4920635), wk = 0.0028818 k( 118) = ( 0.4841270 0.4841270 0.4841270), wk = 0.0028818 k( 119) = ( 0.4761905 0.4761905 0.4761905), wk = 0.0028818 k( 120) = ( 0.4682540 0.4682540 0.4682540), wk = 0.0028818 k( 121) = ( 0.4603175 0.4603175 0.4603175), wk = 0.0028818 k( 122) = ( 0.4523810 0.4523809 0.4523810), wk = 0.0028818 k( 123) = ( 0.4444444 0.4444444 0.4444444), wk = 0.0028818 k( 124) = ( 0.4365079 0.4365079 0.4365079), wk = 0.0028818 k( 125) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0028818 k( 126) = ( 0.4206349 0.4206349 0.4206349), wk = 0.0028818 k( 127) = ( 0.4126984 0.4126984 0.4126984), wk = 0.0028818 k( 128) = ( 0.4047619 0.4047619 0.4047619), wk = 0.0028818 k( 129) = ( 0.3968254 0.3968254 0.3968254), wk = 0.0028818 k( 130) = ( 0.3888889 0.3888889 0.3888889), wk = 0.0028818 k( 131) = ( 0.3809524 0.3809524 0.3809524), wk = 0.0028818 k( 132) = ( 0.3730159 0.3730159 0.3730159), wk = 0.0028818 k( 133) = ( 0.3650794 0.3650794 0.3650794), wk = 0.0028818 k( 134) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0028818 k( 135) = ( 0.3492063 0.3492064 0.3492064), wk = 0.0028818 k( 136) = ( 0.3412698 0.3412698 0.3412698), wk = 0.0028818 k( 137) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0028818 k( 138) = ( 0.3253968 0.3253968 0.3253968), wk = 0.0028818 k( 139) = ( 0.3174603 0.3174603 0.3174603), wk = 0.0028818 k( 140) = ( 0.3095238 0.3095238 0.3095238), wk = 0.0028818 k( 141) = ( 0.3015873 0.3015873 0.3015873), wk = 0.0028818 k( 142) = ( 0.2936508 0.2936508 0.2936508), wk = 0.0028818 k( 143) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0028818 k( 144) = ( 0.2777778 0.2777778 0.2777778), wk = 0.0028818 k( 145) = ( 0.2698413 0.2698413 0.2698413), wk = 0.0028818 k( 146) = ( 0.2619048 0.2619048 0.2619048), wk = 0.0028818 k( 147) = ( 0.2539683 0.2539683 0.2539683), wk = 0.0028818 k( 148) = ( 0.2460317 0.2460317 0.2460318), wk = 0.0028818 k( 149) = ( 0.2380952 0.2380952 0.2380952), wk = 0.0028818 k( 150) = ( 0.2301587 0.2301587 0.2301587), wk = 0.0028818 k( 151) = ( 0.2222222 0.2222222 0.2222222), wk = 0.0028818 k( 152) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0028818 k( 153) = ( 0.2063492 0.2063492 0.2063492), wk = 0.0028818 k( 154) = ( 0.1984127 0.1984127 0.1984127), wk = 0.0028818 k( 155) = ( 0.1904762 0.1904762 0.1904762), wk = 0.0028818 k( 156) = ( 0.1825397 0.1825397 0.1825397), wk = 0.0028818 k( 157) = ( 0.1746032 0.1746032 0.1746032), wk = 0.0028818 k( 158) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0028818 k( 159) = ( 0.1587302 0.1587302 0.1587302), wk = 0.0028818 k( 160) = ( 0.1507937 0.1507937 0.1507937), wk = 0.0028818 k( 161) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0028818 k( 162) = ( 0.1349206 0.1349206 0.1349206), wk = 0.0028818 k( 163) = ( 0.1269841 0.1269841 0.1269841), wk = 0.0028818 k( 164) = ( 0.1190476 0.1190476 0.1190476), wk = 0.0028818 k( 165) = ( 0.1111111 0.1111111 0.1111111), wk = 0.0028818 k( 166) = ( 0.1031746 0.1031746 0.1031746), wk = 0.0028818 k( 167) = ( 0.0952381 0.0952381 0.0952381), wk = 0.0028818 k( 168) = ( 0.0873016 0.0873016 0.0873016), wk = 0.0028818 k( 169) = ( 0.0793651 0.0793651 0.0793651), wk = 0.0028818 k( 170) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0028818 k( 171) = ( 0.0634921 0.0634921 0.0634921), wk = 0.0028818 k( 172) = ( 0.0555556 0.0555556 0.0555556), wk = 0.0028818 k( 173) = ( 0.0476191 0.0476191 0.0476191), wk = 0.0028818 k( 174) = ( 0.0396825 0.0396825 0.0396825), wk = 0.0028818 k( 175) = ( 0.0317460 0.0317460 0.0317460), wk = 0.0028818 k( 176) = ( 0.0238095 0.0238095 0.0238095), wk = 0.0028818 k( 177) = ( 0.0158730 0.0158730 0.0158730), wk = 0.0028818 k( 178) = ( 0.0079365 0.0079365 0.0079365), wk = 0.0028818 k( 179) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028818 k( 180) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028818 k( 181) = ( 0.0073777 0.0000000 -0.0073777), wk = 0.0028818 k( 182) = ( 0.0147554 0.0000000 -0.0147554), wk = 0.0028818 k( 183) = ( 0.0221331 -0.0000000 -0.0221331), wk = 0.0028818 k( 184) = ( 0.0295107 0.0000000 -0.0295107), wk = 0.0028818 k( 185) = ( 0.0368884 0.0000000 -0.0368884), wk = 0.0028818 k( 186) = ( 0.0442661 -0.0000000 -0.0442661), wk = 0.0028818 k( 187) = ( 0.0516438 0.0000000 -0.0516438), wk = 0.0028818 k( 188) = ( 0.0590215 0.0000000 -0.0590215), wk = 0.0028818 k( 189) = ( 0.0663992 0.0000000 -0.0663992), wk = 0.0028818 k( 190) = ( 0.0737768 0.0000000 -0.0737768), wk = 0.0028818 k( 191) = ( 0.0811545 0.0000000 -0.0811545), wk = 0.0028818 k( 192) = ( 0.0885322 0.0000000 -0.0885322), wk = 0.0028818 k( 193) = ( 0.0959099 0.0000000 -0.0959099), wk = 0.0028818 k( 194) = ( 0.1032876 -0.0000000 -0.1032876), wk = 0.0028818 k( 195) = ( 0.1106653 0.0000000 -0.1106653), wk = 0.0028818 k( 196) = ( 0.1180429 0.0000000 -0.1180429), wk = 0.0028818 k( 197) = ( 0.1254206 0.0000000 -0.1254206), wk = 0.0028818 k( 198) = ( 0.1327983 0.0000000 -0.1327983), wk = 0.0028818 k( 199) = ( 0.1401760 0.0000000 -0.1401760), wk = 0.0028818 k( 200) = ( 0.1475537 0.0000000 -0.1475537), wk = 0.0028818 k( 201) = ( 0.1549314 0.0000000 -0.1549314), wk = 0.0028818 k( 202) = ( 0.1623091 0.0000000 -0.1623091), wk = 0.0028818 k( 203) = ( 0.1696867 0.0000000 -0.1696867), wk = 0.0028818 k( 204) = ( 0.1770644 0.0000000 -0.1770644), wk = 0.0028818 k( 205) = ( 0.1844421 0.0000000 -0.1844421), wk = 0.0028818 k( 206) = ( 0.1918198 0.0000000 -0.1918198), wk = 0.0028818 k( 207) = ( 0.1991975 0.0000000 -0.1991975), wk = 0.0028818 k( 208) = ( 0.2065752 0.0000000 -0.2065752), wk = 0.0028818 k( 209) = ( 0.2139528 -0.0000000 -0.2139528), wk = 0.0028818 k( 210) = ( 0.2213305 0.0000000 -0.2213305), wk = 0.0028818 k( 211) = ( 0.2287082 -0.0000000 -0.2287082), wk = 0.0028818 k( 212) = ( 0.2360859 0.0000000 -0.2360859), wk = 0.0028818 k( 213) = ( 0.2434636 -0.0000000 -0.2434636), wk = 0.0028818 k( 214) = ( 0.2508413 0.0000000 -0.2508413), wk = 0.0028818 k( 215) = ( 0.2582189 0.0000000 -0.2582189), wk = 0.0028818 k( 216) = ( 0.2655966 0.0000000 -0.2655966), wk = 0.0028818 k( 217) = ( 0.2729743 0.0000000 -0.2729743), wk = 0.0028818 k( 218) = ( 0.2803520 0.0000000 -0.2803520), wk = 0.0028818 k( 219) = ( 0.2877297 0.0000000 -0.2877297), wk = 0.0028818 k( 220) = ( 0.2951074 0.0000000 -0.2951074), wk = 0.0028818 k( 221) = ( 0.3024850 -0.0000000 -0.3024850), wk = 0.0028818 k( 222) = ( 0.3098627 0.0000000 -0.3098627), wk = 0.0028818 k( 223) = ( 0.3172404 0.0000000 -0.3172404), wk = 0.0028818 k( 224) = ( 0.3246181 0.0000000 -0.3246181), wk = 0.0028818 k( 225) = ( 0.3319958 0.0000000 -0.3319958), wk = 0.0028818 k( 226) = ( 0.3393735 0.0000000 -0.3393735), wk = 0.0028818 k( 227) = ( 0.3467511 0.0000000 -0.3467511), wk = 0.0028818 k( 228) = ( 0.3541288 0.0000000 -0.3541288), wk = 0.0028818 k( 229) = ( 0.3615065 -0.0000000 -0.3615065), wk = 0.0028818 k( 230) = ( 0.3688842 0.0000000 -0.3688842), wk = 0.0028818 k( 231) = ( 0.3762619 0.0000000 -0.3762619), wk = 0.0028818 k( 232) = ( 0.3836396 0.0000000 -0.3836396), wk = 0.0028818 k( 233) = ( 0.3910172 -0.0000000 -0.3910173), wk = 0.0028818 k( 234) = ( 0.3983949 -0.0000000 -0.3983949), wk = 0.0028818 k( 235) = ( 0.4057726 0.0000000 -0.4057726), wk = 0.0028818 k( 236) = ( 0.4131503 0.0000000 -0.4131503), wk = 0.0028818 k( 237) = ( 0.4205280 0.0000000 -0.4205280), wk = 0.0028818 k( 238) = ( 0.4279057 0.0000000 -0.4279057), wk = 0.0028818 k( 239) = ( 0.5720943 0.4279057 -0.0000000), wk = 0.0028818 k( 240) = ( 0.5648849 0.4351151 -0.0000000), wk = 0.0028818 k( 241) = ( 0.5576755 0.4423245 0.0000000), wk = 0.0028818 k( 242) = ( 0.5504660 0.4495340 0.0000000), wk = 0.0028818 k( 243) = ( 0.5432566 0.4567434 -0.0000000), wk = 0.0028818 k( 244) = ( 0.5360472 0.4639528 -0.0000000), wk = 0.0028818 k( 245) = ( 0.5288377 0.4711623 -0.0000000), wk = 0.0028818 k( 246) = ( 0.5216283 0.4783717 -0.0000000), wk = 0.0028818 k( 247) = ( 0.5144189 0.4855811 -0.0000000), wk = 0.0028818 k( 248) = ( 0.5072094 0.4927906 -0.0000000), wk = 0.0028818 k( 249) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028818 k( 250) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028818 k( 251) = ( 0.5023256 0.5023256 0.0114778), wk = 0.0028818 k( 252) = ( 0.5046512 0.5046512 0.0229556), wk = 0.0028818 k( 253) = ( 0.5069769 0.5069769 0.0344334), wk = 0.0028818 k( 254) = ( 0.5093025 0.5093025 0.0459111), wk = 0.0028818 k( 255) = ( 0.5116281 0.5116281 0.0573889), wk = 0.0028818 k( 256) = ( 0.5139537 0.5139537 0.0688667), wk = 0.0028818 k( 257) = ( 0.5162794 0.5162794 0.0803445), wk = 0.0028818 k( 258) = ( 0.5186050 0.5186050 0.0918223), wk = 0.0028818 k( 259) = ( 0.5209306 0.5209306 0.1033001), wk = 0.0028818 k( 260) = ( 0.5232562 0.5232562 0.1147779), wk = 0.0028818 k( 261) = ( 0.5255819 0.5255819 0.1262556), wk = 0.0028818 k( 262) = ( 0.5279075 0.5279075 0.1377334), wk = 0.0028818 k( 263) = ( 0.5302331 0.5302331 0.1492112), wk = 0.0028818 k( 264) = ( 0.5325587 0.5325587 0.1606890), wk = 0.0028818 k( 265) = ( 0.5348844 0.5348844 0.1721668), wk = 0.0028818 k( 266) = ( 0.5372100 0.5372100 0.1836446), wk = 0.0028818 k( 267) = ( 0.5395356 0.5395356 0.1951223), wk = 0.0028818 k( 268) = ( 0.5418612 0.5418612 0.2066001), wk = 0.0028818 k( 269) = ( 0.5441868 0.5441868 0.2180779), wk = 0.0028818 k( 270) = ( 0.5465125 0.5465125 0.2295557), wk = 0.0028818 k( 271) = ( 0.5488381 0.5488381 0.2410335), wk = 0.0028818 k( 272) = ( 0.5511637 0.5511637 0.2525113), wk = 0.0028818 k( 273) = ( 0.5534893 0.5534893 0.2639891), wk = 0.0028818 k( 274) = ( 0.5558150 0.5558150 0.2754668), wk = 0.0028818 k( 275) = ( 0.5581406 0.5581406 0.2869446), wk = 0.0028818 k( 276) = ( 0.5604662 0.5604662 0.2984224), wk = 0.0028818 k( 277) = ( 0.5627918 0.5627918 0.3099002), wk = 0.0028818 k( 278) = ( 0.5651175 0.5651175 0.3213780), wk = 0.0028818 k( 279) = ( 0.5674431 0.5674431 0.3328558), wk = 0.0028818 k( 280) = ( 0.5697687 0.5697687 0.3443335), wk = 0.0028818 k( 281) = ( 0.5720943 0.5720943 0.3558113), wk = 0.0028818 k( 282) = ( 0.5720943 0.5720943 0.3558113), wk = 0.0028818 k( 283) = ( 0.5678535 0.5678535 0.3642930), wk = 0.0028818 k( 284) = ( 0.5636127 0.5636127 0.3727747), wk = 0.0028818 k( 285) = ( 0.5593718 0.5593718 0.3812564), wk = 0.0028818 k( 286) = ( 0.5551310 0.5551310 0.3897381), wk = 0.0028818 k( 287) = ( 0.5508901 0.5508901 0.3982198), wk = 0.0028818 k( 288) = ( 0.5466493 0.5466493 0.4067015), wk = 0.0028818 k( 289) = ( 0.5424084 0.5424084 0.4151831), wk = 0.0028818 k( 290) = ( 0.5381676 0.5381676 0.4236648), wk = 0.0028818 k( 291) = ( 0.5339267 0.5339267 0.4321465), wk = 0.0028818 k( 292) = ( 0.5296859 0.5296859 0.4406282), wk = 0.0028818 k( 293) = ( 0.5254451 0.5254451 0.4491099), wk = 0.0028818 k( 294) = ( 0.5212042 0.5212042 0.4575916), wk = 0.0028818 k( 295) = ( 0.5169634 0.5169634 0.4660733), wk = 0.0028818 k( 296) = ( 0.5127225 0.5127225 0.4745549), wk = 0.0028818 k( 297) = ( 0.5084817 0.5084817 0.4830366), wk = 0.0028818 k( 298) = ( 0.5042408 0.5042408 0.4915183), wk = 0.0028818 k( 299) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028818 k( 300) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0028818 k( 301) = ( 0.5030678 0.0091044 0.0091044), wk = 0.0028818 k( 302) = ( 0.5061357 0.0182088 0.0182087), wk = 0.0028818 k( 303) = ( 0.5092035 0.0273131 0.0273131), wk = 0.0028818 k( 304) = ( 0.5122714 0.0364175 0.0364175), wk = 0.0028818 k( 305) = ( 0.5153392 0.0455219 0.0455219), wk = 0.0028818 k( 306) = ( 0.5184071 0.0546263 0.0546263), wk = 0.0028818 k( 307) = ( 0.5214749 0.0637306 0.0637306), wk = 0.0028818 k( 308) = ( 0.5245427 0.0728350 0.0728350), wk = 0.0028818 k( 309) = ( 0.5276106 0.0819394 0.0819394), wk = 0.0028818 k( 310) = ( 0.5306784 0.0910438 0.0910438), wk = 0.0028818 k( 311) = ( 0.5337463 0.1001481 0.1001481), wk = 0.0028818 k( 312) = ( 0.5368141 0.1092525 0.1092525), wk = 0.0028818 k( 313) = ( 0.5398820 0.1183569 0.1183569), wk = 0.0028818 k( 314) = ( 0.5429498 0.1274613 0.1274613), wk = 0.0028818 k( 315) = ( 0.5460177 0.1365656 0.1365656), wk = 0.0028818 k( 316) = ( 0.5490855 0.1456700 0.1456700), wk = 0.0028818 k( 317) = ( 0.5521533 0.1547744 0.1547744), wk = 0.0028818 k( 318) = ( 0.5552212 0.1638788 0.1638788), wk = 0.0028818 k( 319) = ( 0.5582890 0.1729831 0.1729831), wk = 0.0028818 k( 320) = ( 0.5613569 0.1820875 0.1820875), wk = 0.0028818 k( 321) = ( 0.5644247 0.1911919 0.1911919), wk = 0.0028818 k( 322) = ( 0.5674926 0.2002963 0.2002963), wk = 0.0028818 k( 323) = ( 0.5705604 0.2094006 0.2094006), wk = 0.0028818 k( 324) = ( 0.5736282 0.2185050 0.2185050), wk = 0.0028818 k( 325) = ( 0.5766961 0.2276094 0.2276094), wk = 0.0028818 k( 326) = ( 0.5797639 0.2367138 0.2367138), wk = 0.0028818 k( 327) = ( 0.5828318 0.2458182 0.2458182), wk = 0.0028818 k( 328) = ( 0.5858996 0.2549225 0.2549225), wk = 0.0028818 k( 329) = ( 0.5889675 0.2640269 0.2640269), wk = 0.0028818 k( 330) = ( 0.5920353 0.2731313 0.2731313), wk = 0.0028818 k( 331) = ( 0.5951032 0.2822357 0.2822357), wk = 0.0028818 k( 332) = ( 0.5981710 0.2913400 0.2913400), wk = 0.0028818 k( 333) = ( 0.6012388 0.3004444 0.3004444), wk = 0.0028818 k( 334) = ( 0.6043067 0.3095488 0.3095488), wk = 0.0028818 k( 335) = ( 0.6073745 0.3186532 0.3186532), wk = 0.0028818 k( 336) = ( 0.6104424 0.3277575 0.3277575), wk = 0.0028818 k( 337) = ( 0.6135102 0.3368619 0.3368619), wk = 0.0028818 k( 338) = ( 0.6165781 0.3459663 0.3459663), wk = 0.0028818 k( 339) = ( 0.6196459 0.3550707 0.3550707), wk = 0.0028818 k( 340) = ( 0.6227138 0.3641750 0.3641750), wk = 0.0028818 k( 341) = ( 0.6257816 0.3732794 0.3732794), wk = 0.0028818 k( 342) = ( 0.6288494 0.3823838 0.3823838), wk = 0.0028818 k( 343) = ( 0.6319173 0.3914882 0.3914882), wk = 0.0028818 k( 344) = ( 0.6349851 0.4005925 0.4005925), wk = 0.0028818 k( 345) = ( 0.6380530 0.4096969 0.4096969), wk = 0.0028818 k( 346) = ( 0.6411208 0.4188013 0.4188013), wk = 0.0028818 k( 347) = ( 0.6441887 0.4279057 0.4279057), wk = 0.0028818 Dense grid: 45739 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.16 Mb ( 318, 34) NL pseudopotentials 0.17 Mb ( 159, 70) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1273) G-vector shells 0.01 Mb ( 1054) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.66 Mb ( 318, 136) Each subspace H/S matrix 0.02 Mb ( 34, 34) Each matrix 0.07 Mb ( 70, 2, 34) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./LiNO3.save/charge-density.dat Starting wfc are 42 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.8 secs Computing kpt #: 2 total cpu time spent up to now is 2.0 secs Computing kpt #: 3 total cpu time spent up to now is 2.2 secs Computing kpt #: 4 total cpu time spent up to now is 2.4 secs Computing kpt #: 5 total cpu time spent up to now is 2.6 secs Computing kpt #: 6 total cpu time spent up to now is 2.8 secs Computing kpt #: 7 total cpu time spent up to now is 3.0 secs Computing kpt #: 8 total cpu time spent up to now is 3.2 secs Computing kpt #: 9 total cpu time spent up to now is 3.4 secs Computing kpt #: 10 total cpu time spent up to now is 3.6 secs Computing kpt #: 11 total cpu time spent up to now is 3.8 secs Computing kpt #: 12 total cpu time spent up to now is 4.0 secs Computing kpt #: 13 total cpu time spent up to now is 4.2 secs Computing kpt #: 14 total cpu time spent up to now is 4.4 secs Computing kpt #: 15 total cpu time spent up to now is 4.6 secs Computing kpt #: 16 total cpu time spent up to now is 4.8 secs Computing kpt #: 17 total cpu time spent up to now is 5.0 secs Computing kpt #: 18 total cpu time spent up to now is 5.2 secs Computing kpt #: 19 total cpu time spent up to now is 5.4 secs Computing kpt #: 20 total cpu time spent up to now is 5.6 secs Computing kpt #: 21 total cpu time spent up to now is 5.8 secs Computing kpt #: 22 total cpu time spent up to now is 6.0 secs Computing kpt #: 23 total cpu time spent up to now is 6.2 secs Computing kpt #: 24 total cpu time spent up to now is 6.4 secs Computing kpt #: 25 total cpu time spent up to now is 6.6 secs Computing kpt #: 26 total cpu time spent up to now is 6.8 secs Computing kpt #: 27 total cpu time spent up to now is 7.0 secs Computing kpt #: 28 total cpu time spent up to now is 7.2 secs Computing kpt #: 29 total cpu time spent up to now is 7.4 secs Computing kpt #: 30 total cpu time spent up to now is 7.6 secs Computing kpt #: 31 total cpu time spent up to now is 7.8 secs Computing kpt #: 32 total cpu time spent up to now is 8.0 secs Computing kpt #: 33 total cpu time spent up to now is 8.2 secs Computing kpt #: 34 total cpu time spent up to now is 8.4 secs Computing kpt #: 35 total cpu time spent up to now is 8.6 secs Computing kpt #: 36 total cpu time spent up to now is 8.8 secs Computing kpt #: 37 total cpu time spent up to now is 9.0 secs Computing kpt #: 38 total cpu time spent up to now is 9.3 secs Computing kpt #: 39 total cpu time spent up to now is 9.5 secs Computing kpt #: 40 total cpu time spent up to now is 9.7 secs Computing kpt #: 41 total cpu time spent up to now is 9.9 secs Computing kpt #: 42 total cpu time spent up to now is 10.1 secs Computing kpt #: 43 total cpu time spent up to now is 10.3 secs Computing kpt #: 44 total cpu time spent up to now is 10.5 secs Computing kpt #: 45 total cpu time spent up to now is 10.7 secs Computing kpt #: 46 total cpu time spent up to now is 10.9 secs Computing kpt #: 47 total cpu time spent up to now is 11.1 secs Computing kpt #: 48 total cpu time spent up to now is 11.3 secs Computing kpt #: 49 total cpu time spent up to now is 11.5 secs Computing kpt #: 50 total cpu time spent up to now is 11.7 secs Computing kpt #: 51 total cpu time spent up to now is 11.9 secs Computing kpt #: 52 total cpu time spent up to now is 12.1 secs Computing kpt #: 53 total cpu time spent up to now is 12.3 secs Computing kpt #: 54 total cpu time spent up to now is 12.5 secs Computing kpt #: 55 total cpu time spent up to now is 12.7 secs Computing kpt #: 56 total cpu time spent up to now is 12.9 secs Computing kpt #: 57 total cpu time spent up to now is 13.1 secs Computing kpt #: 58 total cpu time spent up to now is 13.3 secs Computing kpt #: 59 total cpu time spent up to now is 13.5 secs Computing kpt #: 60 total cpu time spent up to now is 13.7 secs Computing kpt #: 61 total cpu time spent up to now is 13.9 secs Computing kpt #: 62 total cpu time spent up to now is 14.1 secs Computing kpt #: 63 total cpu time spent up to now is 14.3 secs Computing kpt #: 64 total cpu time spent up to now is 14.5 secs Computing kpt #: 65 total cpu time spent up to now is 14.7 secs Computing kpt #: 66 total cpu time spent up to now is 14.9 secs Computing kpt #: 67 total cpu time spent up to now is 15.1 secs Computing kpt #: 68 total cpu time spent up to now is 15.4 secs Computing kpt #: 69 total cpu time spent up to now is 15.6 secs Computing kpt #: 70 total cpu time spent up to now is 15.8 secs Computing kpt #: 71 total cpu time spent up to now is 16.0 secs Computing kpt #: 72 total cpu time spent up to now is 16.2 secs Computing kpt #: 73 total cpu time spent up to now is 16.4 secs Computing kpt #: 74 total cpu time spent up to now is 16.6 secs Computing kpt #: 75 total cpu time spent up to now is 16.8 secs Computing kpt #: 76 total cpu time spent up to now is 17.0 secs Computing kpt #: 77 total cpu time spent up to now is 17.2 secs Computing kpt #: 78 total cpu time spent up to now is 17.4 secs Computing kpt #: 79 total cpu time spent up to now is 17.6 secs Computing kpt #: 80 total cpu time spent up to now is 17.8 secs Computing kpt #: 81 total cpu time spent up to now is 18.0 secs Computing kpt #: 82 total cpu time spent up to now is 18.2 secs Computing kpt #: 83 total cpu time spent up to now is 18.4 secs Computing kpt #: 84 total cpu time spent up to now is 18.6 secs Computing kpt #: 85 total cpu time spent up to now is 18.8 secs Computing kpt #: 86 total cpu time spent up to now is 19.0 secs Computing kpt #: 87 total cpu time spent up to now is 19.2 secs Computing kpt #: 88 total cpu time spent up to now is 19.4 secs Computing kpt #: 89 total cpu time spent up to now is 19.6 secs Computing kpt #: 90 total cpu time spent up to now is 19.8 secs Computing kpt #: 91 total cpu time spent up to now is 20.0 secs Computing kpt #: 92 total cpu time spent up to now is 20.2 secs Computing kpt #: 93 total cpu time spent up to now is 20.4 secs Computing kpt #: 94 total cpu time spent up to now is 20.7 secs Computing kpt #: 95 total cpu time spent up to now is 20.9 secs Computing kpt #: 96 total cpu time spent up to now is 21.1 secs Computing kpt #: 97 total cpu time spent up to now is 21.3 secs Computing kpt #: 98 total cpu time spent up to now is 21.5 secs Computing kpt #: 99 total cpu time spent up to now is 21.7 secs Computing kpt #: 100 total cpu time spent up to now is 21.9 secs Computing kpt #: 101 total cpu time spent up to now is 22.1 secs Computing kpt #: 102 total cpu time spent up to now is 22.3 secs Computing kpt #: 103 total cpu time spent up to now is 22.5 secs Computing kpt #: 104 total cpu time spent up to now is 22.7 secs Computing kpt #: 105 total cpu time spent up to now is 22.9 secs Computing kpt #: 106 total cpu time spent up to now is 23.1 secs Computing kpt #: 107 total cpu time spent up to now is 23.3 secs Computing kpt #: 108 total cpu time spent up to now is 23.6 secs Computing kpt #: 109 total cpu time spent up to now is 23.8 secs Computing kpt #: 110 total cpu time spent up to now is 24.0 secs Computing kpt #: 111 total cpu time spent up to now is 24.2 secs Computing kpt #: 112 total cpu time spent up to now is 24.4 secs Computing kpt #: 113 total cpu time spent up to now is 24.6 secs Computing kpt #: 114 total cpu time spent up to now is 24.8 secs Computing kpt #: 115 total cpu time spent up to now is 25.0 secs Computing kpt #: 116 total cpu time spent up to now is 25.2 secs Computing kpt #: 117 total cpu time spent up to now is 25.4 secs Computing kpt #: 118 total cpu time spent up to now is 25.6 secs Computing kpt #: 119 total cpu time spent up to now is 25.8 secs Computing kpt #: 120 total cpu time spent up to now is 26.0 secs Computing kpt #: 121 total cpu time spent up to now is 26.2 secs Computing kpt #: 122 total cpu time spent up to now is 26.4 secs Computing kpt #: 123 total cpu time spent up to now is 26.6 secs Computing kpt #: 124 total cpu time spent up to now is 26.8 secs Computing kpt #: 125 total cpu time spent up to now is 27.0 secs Computing kpt #: 126 total cpu time spent up to now is 27.3 secs Computing kpt #: 127 total cpu time spent up to now is 27.5 secs Computing kpt #: 128 total cpu time spent up to now is 27.7 secs Computing kpt #: 129 total cpu time spent up to now is 27.9 secs Computing kpt #: 130 total cpu time spent up to now is 28.1 secs Computing kpt #: 131 total cpu time spent up to now is 28.3 secs Computing kpt #: 132 total cpu time spent up to now is 28.5 secs Computing kpt #: 133 total cpu time spent up to now is 28.7 secs Computing kpt #: 134 total cpu time spent up to now is 28.9 secs Computing kpt #: 135 total cpu time spent up to now is 29.1 secs Computing kpt #: 136 total cpu time spent up to now is 29.3 secs Computing kpt #: 137 total cpu time spent up to now is 29.5 secs Computing kpt #: 138 total cpu time spent up to now is 29.7 secs Computing kpt #: 139 total cpu time spent up to now is 29.9 secs Computing kpt #: 140 total cpu time spent up to now is 30.1 secs Computing kpt #: 141 total cpu time spent up to now is 30.3 secs Computing kpt #: 142 total cpu time spent up to now is 30.5 secs Computing kpt #: 143 total cpu time spent up to now is 30.7 secs Computing kpt #: 144 total cpu time spent up to now is 30.9 secs Computing kpt #: 145 total cpu time spent up to now is 31.1 secs Computing kpt #: 146 total cpu time spent up to now is 31.3 secs Computing kpt #: 147 total cpu time spent up to now is 31.5 secs Computing kpt #: 148 total cpu time spent up to now is 31.7 secs Computing kpt #: 149 total cpu time spent up to now is 31.9 secs Computing kpt #: 150 total cpu time spent up to now is 32.1 secs Computing kpt #: 151 total cpu time spent up to now is 32.3 secs Computing kpt #: 152 total cpu time spent up to now is 32.5 secs Computing kpt #: 153 total cpu time spent up to now is 32.7 secs Computing kpt #: 154 total cpu time spent up to now is 32.9 secs Computing kpt #: 155 total cpu time spent up to now is 33.1 secs Computing kpt #: 156 total cpu time spent up to now is 33.3 secs Computing kpt #: 157 total cpu time spent up to now is 33.5 secs Computing kpt #: 158 total cpu time spent up to now is 33.7 secs Computing kpt #: 159 total cpu time spent up to now is 33.9 secs Computing kpt #: 160 total cpu time spent up to now is 34.1 secs Computing kpt #: 161 total cpu time spent up to now is 34.3 secs Computing kpt #: 162 total cpu time spent up to now is 34.5 secs Computing kpt #: 163 total cpu time spent up to now is 34.7 secs Computing kpt #: 164 total cpu time spent up to now is 34.9 secs Computing kpt #: 165 total cpu time spent up to now is 35.1 secs Computing kpt #: 166 total cpu time spent up to now is 35.3 secs Computing kpt #: 167 total cpu time spent up to now is 35.5 secs Computing kpt #: 168 total cpu time spent up to now is 35.8 secs Computing kpt #: 169 total cpu time spent up to now is 36.0 secs Computing kpt #: 170 total cpu time spent up to now is 36.3 secs Computing kpt #: 171 total cpu time spent up to now is 36.4 secs Computing kpt #: 172 total cpu time spent up to now is 36.6 secs Computing kpt #: 173 total cpu time spent up to now is 36.8 secs Computing kpt #: 174 total cpu time spent up to now is 37.0 secs Computing kpt #: 175 total cpu time spent up to now is 37.2 secs Computing kpt #: 176 total cpu time spent up to now is 37.4 secs Computing kpt #: 177 total cpu time spent up to now is 37.6 secs Computing kpt #: 178 total cpu time spent up to now is 37.8 secs Computing kpt #: 179 total cpu time spent up to now is 38.0 secs Computing kpt #: 180 total cpu time spent up to now is 38.2 secs Computing kpt #: 181 total cpu time spent up to now is 38.4 secs Computing kpt #: 182 total cpu time spent up to now is 38.6 secs Computing kpt #: 183 total cpu time spent up to now is 38.8 secs Computing kpt #: 184 total cpu time spent up to now is 38.9 secs Computing kpt #: 185 total cpu time spent up to now is 39.1 secs Computing kpt #: 186 total cpu time spent up to now is 39.3 secs Computing kpt #: 187 total cpu time spent up to now is 39.5 secs Computing kpt #: 188 total cpu time spent up to now is 39.7 secs Computing kpt #: 189 total cpu time spent up to now is 39.9 secs Computing kpt #: 190 total cpu time spent up to now is 40.1 secs Computing kpt #: 191 total cpu time spent up to now is 40.3 secs Computing kpt #: 192 total cpu time spent up to now is 40.6 secs Computing kpt #: 193 total cpu time spent up to now is 40.8 secs Computing kpt #: 194 total cpu time spent up to now is 41.0 secs Computing kpt #: 195 total cpu time spent up to now is 41.2 secs Computing kpt #: 196 total cpu time spent up to now is 41.4 secs Computing kpt #: 197 total cpu time spent up to now is 41.6 secs Computing kpt #: 198 total cpu time spent up to now is 41.8 secs Computing kpt #: 199 total cpu time spent up to now is 42.0 secs Computing kpt #: 200 total cpu time spent up to now is 42.2 secs Computing kpt #: 201 total cpu time spent up to now is 42.4 secs Computing kpt #: 202 total cpu time spent up to now is 42.6 secs Computing kpt #: 203 total cpu time spent up to now is 42.8 secs Computing kpt #: 204 total cpu time spent up to now is 43.0 secs Computing kpt #: 205 total cpu time spent up to now is 43.2 secs Computing kpt #: 206 total cpu time spent up to now is 43.4 secs Computing kpt #: 207 total cpu time spent up to now is 43.6 secs Computing kpt #: 208 total cpu time spent up to now is 43.8 secs Computing kpt #: 209 total cpu time spent up to now is 44.0 secs Computing kpt #: 210 total cpu time spent up to now is 44.2 secs Computing kpt #: 211 total cpu time spent up to now is 44.4 secs Computing kpt #: 212 total cpu time spent up to now is 44.6 secs Computing kpt #: 213 total cpu time spent up to now is 44.8 secs Computing kpt #: 214 total cpu time spent up to now is 45.0 secs Computing kpt #: 215 total cpu time spent up to now is 45.2 secs Computing kpt #: 216 total cpu time spent up to now is 45.4 secs Computing kpt #: 217 total cpu time spent up to now is 45.6 secs Computing kpt #: 218 total cpu time spent up to now is 45.8 secs Computing kpt #: 219 total cpu time spent up to now is 46.0 secs Computing kpt #: 220 total cpu time spent up to now is 46.2 secs Computing kpt #: 221 total cpu time spent up to now is 46.4 secs Computing kpt #: 222 total cpu time spent up to now is 46.6 secs Computing kpt #: 223 total cpu time spent up to now is 46.8 secs Computing kpt #: 224 total cpu time spent up to now is 47.0 secs Computing kpt #: 225 total cpu time spent up to now is 47.2 secs Computing kpt #: 226 total cpu time spent up to now is 47.4 secs Computing kpt #: 227 total cpu time spent up to now is 47.6 secs Computing kpt #: 228 total cpu time spent up to now is 47.8 secs Computing kpt #: 229 total cpu time spent up to now is 48.0 secs Computing kpt #: 230 total cpu time spent up to now is 48.2 secs Computing kpt #: 231 total cpu time spent up to now is 48.5 secs Computing kpt #: 232 total cpu time spent up to now is 48.7 secs Computing kpt #: 233 total cpu time spent up to now is 48.9 secs Computing kpt #: 234 total cpu time spent up to now is 49.1 secs Computing kpt #: 235 total cpu time spent up to now is 49.3 secs Computing kpt #: 236 total cpu time spent up to now is 49.5 secs Computing kpt #: 237 total cpu time spent up to now is 49.7 secs Computing kpt #: 238 total cpu time spent up to now is 49.9 secs Computing kpt #: 239 total cpu time spent up to now is 50.1 secs Computing kpt #: 240 total cpu time spent up to now is 50.3 secs Computing kpt #: 241 total cpu time spent up to now is 50.5 secs Computing kpt #: 242 total cpu time spent up to now is 50.7 secs Computing kpt #: 243 total cpu time spent up to now is 50.9 secs Computing kpt #: 244 total cpu time spent up to now is 51.1 secs Computing kpt #: 245 total cpu time spent up to now is 51.3 secs Computing kpt #: 246 total cpu time spent up to now is 51.5 secs Computing kpt #: 247 total cpu time spent up to now is 51.7 secs Computing kpt #: 248 total cpu time spent up to now is 51.9 secs Computing kpt #: 249 total cpu time spent up to now is 52.1 secs Computing kpt #: 250 total cpu time spent up to now is 52.3 secs Computing kpt #: 251 total cpu time spent up to now is 52.5 secs Computing kpt #: 252 total cpu time spent up to now is 52.7 secs Computing kpt #: 253 total cpu time spent up to now is 52.9 secs Computing kpt #: 254 total cpu time spent up to now is 53.1 secs Computing kpt #: 255 total cpu time spent up to now is 53.4 secs Computing kpt #: 256 total cpu time spent up to now is 53.6 secs Computing kpt #: 257 total cpu time spent up to now is 53.8 secs Computing kpt #: 258 total cpu time spent up to now is 54.0 secs Computing kpt #: 259 total cpu time spent up to now is 54.2 secs Computing kpt #: 260 total cpu time spent up to now is 54.4 secs Computing kpt #: 261 total cpu time spent up to now is 54.6 secs Computing kpt #: 262 total cpu time spent up to now is 54.8 secs Computing kpt #: 263 total cpu time spent up to now is 55.0 secs Computing kpt #: 264 total cpu time spent up to now is 55.2 secs Computing kpt #: 265 total cpu time spent up to now is 55.4 secs Computing kpt #: 266 total cpu time spent up to now is 55.6 secs Computing kpt #: 267 total cpu time spent up to now is 55.8 secs Computing kpt #: 268 total cpu time spent up to now is 56.0 secs Computing kpt #: 269 total cpu time spent up to now is 56.2 secs Computing kpt #: 270 total cpu time spent up to now is 56.4 secs Computing kpt #: 271 total cpu time spent up to now is 56.6 secs Computing kpt #: 272 total cpu time spent up to now is 56.8 secs Computing kpt #: 273 total cpu time spent up to now is 57.0 secs Computing kpt #: 274 total cpu time spent up to now is 57.2 secs Computing kpt #: 275 total cpu time spent up to now is 57.4 secs Computing kpt #: 276 total cpu time spent up to now is 57.6 secs Computing kpt #: 277 total cpu time spent up to now is 57.8 secs Computing kpt #: 278 total cpu time spent up to now is 58.0 secs Computing kpt #: 279 total cpu time spent up to now is 58.2 secs Computing kpt #: 280 total cpu time spent up to now is 58.4 secs Computing kpt #: 281 total cpu time spent up to now is 58.6 secs Computing kpt #: 282 total cpu time spent up to now is 58.8 secs Computing kpt #: 283 total cpu time spent up to now is 59.0 secs Computing kpt #: 284 total cpu time spent up to now is 59.3 secs Computing kpt #: 285 total cpu time spent up to now is 59.5 secs Computing kpt #: 286 total cpu time spent up to now is 59.7 secs Computing kpt #: 287 total cpu time spent up to now is 59.9 secs Computing kpt #: 288 total cpu time spent up to now is 60.1 secs Computing kpt #: 289 total cpu time spent up to now is 60.3 secs Computing kpt #: 290 total cpu time spent up to now is 60.5 secs Computing kpt #: 291 total cpu time spent up to now is 60.7 secs Computing kpt #: 292 total cpu time spent up to now is 60.9 secs Computing kpt #: 293 total cpu time spent up to now is 61.1 secs Computing kpt #: 294 total cpu time spent up to now is 61.3 secs Computing kpt #: 295 total cpu time spent up to now is 61.5 secs Computing kpt #: 296 total cpu time spent up to now is 61.7 secs Computing kpt #: 297 total cpu time spent up to now is 61.9 secs Computing kpt #: 298 total cpu time spent up to now is 62.1 secs Computing kpt #: 299 total cpu time spent up to now is 62.4 secs Computing kpt #: 300 total cpu time spent up to now is 62.6 secs Computing kpt #: 301 total cpu time spent up to now is 62.8 secs Computing kpt #: 302 total cpu time spent up to now is 63.0 secs Computing kpt #: 303 total cpu time spent up to now is 63.2 secs Computing kpt #: 304 total cpu time spent up to now is 63.4 secs Computing kpt #: 305 total cpu time spent up to now is 63.6 secs Computing kpt #: 306 total cpu time spent up to now is 63.8 secs Computing kpt #: 307 total cpu time spent up to now is 64.0 secs Computing kpt #: 308 total cpu time spent up to now is 64.2 secs Computing kpt #: 309 total cpu time spent up to now is 64.4 secs Computing kpt #: 310 total cpu time spent up to now is 64.6 secs Computing kpt #: 311 total cpu time spent up to now is 64.8 secs Computing kpt #: 312 total cpu time spent up to now is 65.0 secs Computing kpt #: 313 total cpu time spent up to now is 65.2 secs Computing kpt #: 314 total cpu time spent up to now is 65.4 secs Computing kpt #: 315 total cpu time spent up to now is 65.6 secs Computing kpt #: 316 total cpu time spent up to now is 65.8 secs Computing kpt #: 317 total cpu time spent up to now is 66.0 secs Computing kpt #: 318 total cpu time spent up to now is 66.2 secs Computing kpt #: 319 total cpu time spent up to now is 66.4 secs Computing kpt #: 320 total cpu time spent up to now is 66.6 secs Computing kpt #: 321 total cpu time spent up to now is 66.8 secs Computing kpt #: 322 total cpu time spent up to now is 67.0 secs Computing kpt #: 323 total cpu time spent up to now is 67.2 secs Computing kpt #: 324 total cpu time spent up to now is 67.4 secs Computing kpt #: 325 total cpu time spent up to now is 67.6 secs Computing kpt #: 326 total cpu time spent up to now is 67.8 secs Computing kpt #: 327 total cpu time spent up to now is 68.0 secs Computing kpt #: 328 total cpu time spent up to now is 68.2 secs Computing kpt #: 329 total cpu time spent up to now is 68.4 secs Computing kpt #: 330 total cpu time spent up to now is 68.6 secs Computing kpt #: 331 total cpu time spent up to now is 68.8 secs Computing kpt #: 332 total cpu time spent up to now is 69.0 secs Computing kpt #: 333 total cpu time spent up to now is 69.2 secs Computing kpt #: 334 total cpu time spent up to now is 69.4 secs Computing kpt #: 335 total cpu time spent up to now is 69.6 secs Computing kpt #: 336 total cpu time spent up to now is 69.8 secs Computing kpt #: 337 total cpu time spent up to now is 70.0 secs Computing kpt #: 338 total cpu time spent up to now is 70.2 secs Computing kpt #: 339 total cpu time spent up to now is 70.4 secs Computing kpt #: 340 total cpu time spent up to now is 70.6 secs Computing kpt #: 341 total cpu time spent up to now is 70.8 secs Computing kpt #: 342 total cpu time spent up to now is 71.0 secs Computing kpt #: 343 total cpu time spent up to now is 71.2 secs Computing kpt #: 344 total cpu time spent up to now is 71.4 secs Computing kpt #: 345 total cpu time spent up to now is 71.6 secs Computing kpt #: 346 total cpu time spent up to now is 71.8 secs Computing kpt #: 347 total cpu time spent up to now is 72.0 secs ethr = 3.85E-08, avg # of iterations = 8.3 total cpu time spent up to now is 72.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5769 PWs) bands (ev): -39.0616 -39.0616 -16.0049 -16.0049 -13.4530 -13.4530 -13.4529 -13.4529 -9.7724 -9.7724 -2.7107 -2.7107 -2.3035 -2.3035 -2.2984 -2.2984 0.8562 0.8562 0.8575 0.8575 1.1049 1.1049 1.9147 1.9147 2.3491 2.3491 2.4452 2.4452 2.4470 2.4470 4.1538 4.1538 4.1774 4.1774 k = 0.0114-0.0024-0.0020 ( 5763 PWs) bands (ev): -39.0616 -39.0616 -16.0043 -16.0043 -13.4540 -13.4540 -13.4529 -13.4529 -9.7731 -9.7731 -2.7093 -2.7093 -2.3020 -2.3020 -2.2969 -2.2969 0.8560 0.8560 0.8575 0.8575 1.1047 1.1047 1.9143 1.9143 2.3481 2.3481 2.4441 2.4441 2.4463 2.4463 4.1525 4.1525 4.1761 4.1761 k = 0.0227-0.0047-0.0040 ( 5757 PWs) bands (ev): -39.0615 -39.0615 -16.0024 -16.0024 -13.4570 -13.4570 -13.4529 -13.4529 -9.7750 -9.7750 -2.7049 -2.7049 -2.2980 -2.2980 -2.2918 -2.2918 0.8549 0.8549 0.8581 0.8581 1.1042 1.1042 1.9130 1.9130 2.3453 2.3453 2.4400 2.4400 2.4453 2.4453 4.1482 4.1482 4.1726 4.1726 k = 0.0341-0.0071-0.0060 ( 5744 PWs) bands (ev): -39.0615 -39.0615 -15.9992 -15.9992 -13.4620 -13.4620 -13.4529 -13.4529 -9.7783 -9.7783 -2.6977 -2.6977 -2.2922 -2.2922 -2.2825 -2.2825 0.8525 0.8525 0.8594 0.8594 1.1035 1.1035 1.9109 1.9109 2.3402 2.3402 2.4326 2.4326 2.4443 2.4443 4.1402 4.1402 4.1676 4.1676 k = 0.0455-0.0094-0.0079 ( 5736 PWs) bands (ev): -39.0615 -39.0615 -15.9948 -15.9948 -13.4689 -13.4689 -13.4529 -13.4529 -9.7828 -9.7828 -2.6876 -2.6876 -2.2845 -2.2845 -2.2690 -2.2690 0.8492 0.8492 0.8613 0.8613 1.1023 1.1023 1.9080 1.9080 2.3325 2.3325 2.4224 2.4224 2.4435 2.4435 4.1278 4.1278 4.1620 4.1620 k = 0.0568-0.0118-0.0099 ( 5725 PWs) bands (ev): -39.0614 -39.0614 -15.9891 -15.9891 -13.4778 -13.4778 -13.4530 -13.4530 -9.7886 -9.7886 -2.6749 -2.6749 -2.2749 -2.2749 -2.2513 -2.2513 0.8450 0.8450 0.8638 0.8638 1.1009 1.1009 1.9042 1.9042 2.3218 2.3218 2.4092 2.4092 2.4434 2.4434 4.1107 4.1107 4.1560 4.1560 k = 0.0682-0.0141-0.0119 ( 5722 PWs) bands (ev): -39.0614 -39.0614 -15.9821 -15.9821 -13.4886 -13.4886 -13.4530 -13.4530 -9.7955 -9.7955 -2.6597 -2.6597 -2.2633 -2.2633 -2.2295 -2.2295 0.8397 0.8397 0.8667 0.8667 1.0992 1.0992 1.8996 1.8996 2.3079 2.3079 2.3932 2.3932 2.4443 2.4443 4.0891 4.0891 4.1494 4.1494 k = 0.0795-0.0165-0.0139 ( 5723 PWs) bands (ev): -39.0613 -39.0613 -15.9739 -15.9739 -13.5014 -13.5014 -13.4530 -13.4530 -9.8036 -9.8036 -2.6420 -2.6420 -2.2496 -2.2496 -2.2036 -2.2036 0.8336 0.8336 0.8702 0.8702 1.0972 1.0972 1.8942 1.8942 2.2907 2.2907 2.3744 2.3744 2.4463 2.4463 4.0631 4.0631 4.1422 4.1422 k = 0.0909-0.0188-0.0159 ( 5724 PWs) bands (ev): -39.0613 -39.0613 -15.9644 -15.9644 -13.5160 -13.5160 -13.4531 -13.4531 -9.8127 -9.8127 -2.6221 -2.6221 -2.2339 -2.2339 -2.1735 -2.1735 0.8265 0.8265 0.8742 0.8742 1.0949 1.0949 1.8881 1.8881 2.2701 2.2701 2.3529 2.3529 2.4495 2.4495 4.0331 4.0331 4.1343 4.1343 k = 0.1023-0.0212-0.0179 ( 5719 PWs) bands (ev): -39.0612 -39.0612 -15.9537 -15.9537 -13.5325 -13.5325 -13.4532 -13.4532 -9.8229 -9.8229 -2.6000 -2.6000 -2.2162 -2.2162 -2.1393 -2.1393 0.8185 0.8185 0.8785 0.8786 1.0923 1.0923 1.8811 1.8811 2.2463 2.2463 2.3289 2.3289 2.4537 2.4537 3.9992 3.9992 4.1255 4.1255 k = 0.1136-0.0235-0.0198 ( 5723 PWs) bands (ev): -39.0611 -39.0611 -15.9418 -15.9418 -13.5508 -13.5508 -13.4532 -13.4532 -9.8339 -9.8339 -2.5760 -2.5760 -2.1964 -2.1964 -2.1009 -2.1009 0.8096 0.8096 0.8834 0.8834 1.0895 1.0895 1.8735 1.8735 2.2195 2.2195 2.3024 2.3024 2.4591 2.4591 3.9614 3.9614 4.1160 4.1160 k = 0.1250-0.0259-0.0218 ( 5723 PWs) bands (ev): -39.0611 -39.0611 -15.9286 -15.9286 -13.5708 -13.5708 -13.4533 -13.4533 -9.8458 -9.8458 -2.5502 -2.5502 -2.1747 -2.1747 -2.0584 -2.0584 0.7998 0.7998 0.8885 0.8885 1.0864 1.0864 1.8651 1.8651 2.1898 2.1898 2.2735 2.2735 2.4654 2.4654 3.9200 3.9200 4.1056 4.1056 k = 0.1364-0.0282-0.0238 ( 5721 PWs) bands (ev): -39.0610 -39.0610 -15.9143 -15.9143 -13.5926 -13.5926 -13.4534 -13.4534 -9.8584 -9.8584 -2.5227 -2.5227 -2.1510 -2.1510 -2.0118 -2.0118 0.7892 0.7892 0.8941 0.8941 1.0831 1.0831 1.8560 1.8560 2.1573 2.1573 2.2424 2.2424 2.4726 2.4726 3.8750 3.8750 4.0944 4.0944 k = 0.1477-0.0306-0.0258 ( 5720 PWs) bands (ev): -39.0609 -39.0609 -15.8987 -15.8987 -13.6161 -13.6161 -13.4535 -13.4535 -9.8717 -9.8717 -2.4936 -2.4936 -2.1253 -2.1253 -1.9612 -1.9612 0.7776 0.7776 0.8999 0.8999 1.0795 1.0795 1.8462 1.8462 2.1224 2.1224 2.2093 2.2093 2.4806 2.4806 3.8265 3.8265 4.0825 4.0825 k = 0.1591-0.0329-0.0278 ( 5712 PWs) bands (ev): -39.0608 -39.0608 -15.8819 -15.8819 -13.6412 -13.6412 -13.4536 -13.4536 -9.8856 -9.8856 -2.4631 -2.4631 -2.0977 -2.0977 -1.9067 -1.9067 0.7652 0.7652 0.9060 0.9060 1.0758 1.0758 1.8356 1.8356 2.0851 2.0851 2.1743 2.1743 2.4894 2.4894 3.7746 3.7746 4.0698 4.0698 k = 0.1705-0.0353-0.0298 ( 5715 PWs) bands (ev): -39.0607 -39.0607 -15.8639 -15.8639 -13.6679 -13.6679 -13.4536 -13.4536 -9.8999 -9.8999 -2.4312 -2.4312 -2.0683 -2.0683 -1.8484 -1.8484 0.7518 0.7518 0.9122 0.9122 1.0718 1.0718 1.8244 1.8244 2.0457 2.0457 2.1376 2.1376 2.4989 2.4989 3.7196 3.7196 4.0564 4.0564 k = 0.1818-0.0376-0.0317 ( 5719 PWs) bands (ev): -39.0606 -39.0606 -15.8448 -15.8448 -13.6961 -13.6961 -13.4537 -13.4537 -9.9146 -9.9146 -2.3980 -2.3980 -2.0370 -2.0370 -1.7864 -1.7864 0.7376 0.7376 0.9186 0.9186 1.0676 1.0676 1.8124 1.8124 2.0043 2.0043 2.0994 2.0994 2.5091 2.5091 3.6615 3.6615 4.0424 4.0424 k = 0.1932-0.0400-0.0337 ( 5721 PWs) bands (ev): -39.0605 -39.0605 -15.8245 -15.8245 -13.7258 -13.7258 -13.4538 -13.4538 -9.9297 -9.9297 -2.3637 -2.3637 -2.0039 -2.0039 -1.7208 -1.7208 0.7225 0.7225 0.9251 0.9251 1.0633 1.0633 1.7995 1.7995 1.9612 1.9612 2.0602 2.0602 2.5200 2.5200 3.6004 3.6004 4.0278 4.0278 k = 0.2045-0.0423-0.0357 ( 5718 PWs) bands (ev): -39.0604 -39.0604 -15.8031 -15.8031 -13.7568 -13.7568 -13.4539 -13.4539 -9.9449 -9.9449 -2.3283 -2.3283 -1.9690 -1.9690 -1.6519 -1.6519 0.7064 0.7064 0.9317 0.9317 1.0587 1.0587 1.7857 1.7857 1.9166 1.9166 2.0201 2.0201 2.5314 2.5314 3.5365 3.5365 4.0126 4.0126 k = 0.2159-0.0447-0.0377 ( 5720 PWs) bands (ev): -39.0602 -39.0602 -15.7806 -15.7806 -13.7892 -13.7892 -13.4540 -13.4540 -9.9603 -9.9603 -2.2919 -2.2919 -1.9324 -1.9324 -1.5798 -1.5798 0.6893 0.6893 0.9381 0.9381 1.0539 1.0539 1.7707 1.7707 1.8708 1.8708 1.9798 1.9798 2.5434 2.5434 3.4699 3.4699 3.9968 3.9968 k = 0.2273-0.0470-0.0397 ( 5720 PWs) bands (ev): -39.0601 -39.0601 -15.7570 -15.7570 -13.8228 -13.8228 -13.4541 -13.4541 -9.9757 -9.9757 -2.2546 -2.2546 -1.8942 -1.8942 -1.5046 -1.5046 0.6713 0.6713 0.9445 0.9445 1.0489 1.0489 1.7540 1.7540 1.8238 1.8238 1.9398 1.9398 2.5558 2.5558 3.4008 3.4008 3.9806 3.9806 k = 0.2386-0.0494-0.0417 ( 5715 PWs) bands (ev): -39.0600 -39.0600 -15.7323 -15.7323 -13.8576 -13.8576 -13.4542 -13.4542 -9.9910 -9.9910 -2.2164 -2.2164 -1.8544 -1.8544 -1.4266 -1.4266 0.6522 0.6522 0.9506 0.9506 1.0436 1.0436 1.7353 1.7353 1.7762 1.7762 1.9009 1.9009 2.5687 2.5687 3.3294 3.3294 3.9640 3.9640 k = 0.2500-0.0517-0.0436 ( 5715 PWs) bands (ev): -39.0599 -39.0599 -15.7066 -15.7066 -13.8935 -13.8935 -13.4543 -13.4543 -10.0062 -10.0062 -2.1775 -2.1775 -1.8130 -1.8130 -1.3459 -1.3459 0.6319 0.6319 0.9564 0.9564 1.0381 1.0381 1.7136 1.7136 1.7280 1.7280 1.8643 1.8643 2.5820 2.5820 3.2557 3.2557 3.9471 3.9471 k = 0.2614-0.0541-0.0456 ( 5719 PWs) bands (ev): -39.0598 -39.0598 -15.6798 -15.6798 -13.9304 -13.9304 -13.4544 -13.4544 -10.0213 -10.0213 -2.1380 -2.1380 -1.7702 -1.7702 -1.2627 -1.2627 0.6105 0.6105 0.9619 0.9619 1.0323 1.0323 1.6794 1.6794 1.6885 1.6885 1.8310 1.8310 2.5957 2.5957 3.1801 3.1801 3.9298 3.9298 k = 0.2727-0.0564-0.0476 ( 5718 PWs) bands (ev): -39.0597 -39.0597 -15.6521 -15.6521 -13.9682 -13.9682 -13.4545 -13.4545 -10.0360 -10.0360 -2.0980 -2.0980 -1.7260 -1.7260 -1.1772 -1.1772 0.5878 0.5878 0.9668 0.9668 1.0262 1.0262 1.6311 1.6311 1.6589 1.6589 1.8019 1.8019 2.6097 2.6097 3.1026 3.1026 3.9124 3.9124 k = 0.2841-0.0588-0.0496 ( 5718 PWs) bands (ev): -39.0595 -39.0595 -15.6234 -15.6234 -14.0069 -14.0069 -13.4546 -13.4546 -10.0505 -10.0505 -2.0577 -2.0577 -1.6805 -1.6805 -1.0896 -1.0896 0.5638 0.5638 0.9710 0.9710 1.0198 1.0198 1.5832 1.5832 1.6254 1.6254 1.7769 1.7769 2.6239 2.6239 3.0236 3.0236 3.8947 3.8947 k = 0.2955-0.0611-0.0516 ( 5715 PWs) bands (ev): -39.0594 -39.0594 -15.5938 -15.5938 -14.0464 -14.0464 -13.4547 -13.4547 -10.0645 -10.0645 -2.0171 -2.0171 -1.6338 -1.6338 -1.0001 -1.0001 0.5383 0.5383 0.9741 0.9741 1.0131 1.0131 1.5359 1.5359 1.5891 1.5891 1.7556 1.7556 2.6382 2.6382 2.9432 2.9432 3.8770 3.8770 k = 0.3068-0.0635-0.0536 ( 5715 PWs) bands (ev): -39.0593 -39.0593 -15.5633 -15.5633 -14.0865 -14.0865 -13.4548 -13.4548 -10.0781 -10.0781 -1.9764 -1.9764 -1.5860 -1.5860 -0.9088 -0.9088 0.5112 0.5112 0.9758 0.9758 1.0065 1.0065 1.4898 1.4898 1.5511 1.5511 1.7370 1.7370 2.6527 2.6527 2.8618 2.8618 3.8593 3.8593 k = 0.3182-0.0658-0.0555 ( 5711 PWs) bands (ev): -39.0592 -39.0592 -15.5320 -15.5320 -14.1272 -14.1272 -13.4549 -13.4549 -10.0912 -10.0912 -1.9359 -1.9359 -1.5373 -1.5373 -0.8161 -0.8161 0.4826 0.4826 0.9747 0.9747 1.0009 1.0009 1.4450 1.4450 1.5125 1.5125 1.7204 1.7204 2.6671 2.6671 2.7795 2.7795 3.8417 3.8417 k = 0.3295-0.0682-0.0575 ( 5709 PWs) bands (ev): -39.0591 -39.0591 -15.4999 -15.4999 -14.1684 -14.1684 -13.4550 -13.4550 -10.1037 -10.1037 -1.8957 -1.8957 -1.4877 -1.4877 -0.7219 -0.7219 0.4522 0.4522 0.9697 0.9697 0.9973 0.9973 1.4019 1.4019 1.4744 1.4744 1.7051 1.7051 2.6801 2.6801 2.6982 2.6982 3.8243 3.8243 k = 0.3409-0.0705-0.0595 ( 5713 PWs) bands (ev): -39.0590 -39.0590 -15.4670 -15.4670 -14.2099 -14.2099 -13.4551 -13.4551 -10.1156 -10.1156 -1.8560 -1.8560 -1.4376 -1.4376 -0.6267 -0.6267 0.4202 0.4202 0.9607 0.9607 0.9956 0.9956 1.3608 1.3608 1.4373 1.4373 1.6909 1.6909 2.6133 2.6133 2.6966 2.6966 3.8071 3.8071 k = 0.3523-0.0729-0.0615 ( 5711 PWs) bands (ev): -39.0589 -39.0589 -15.4336 -15.4336 -14.2517 -14.2517 -13.4552 -13.4552 -10.1269 -10.1269 -1.8171 -1.8171 -1.3870 -1.3870 -0.5305 -0.5305 0.3866 0.3866 0.9487 0.9487 0.9945 0.9945 1.3220 1.3220 1.4019 1.4019 1.6773 1.6773 2.5310 2.5310 2.7105 2.7105 3.7903 3.7903 k = 0.3636-0.0752-0.0635 ( 5703 PWs) bands (ev): -39.0588 -39.0588 -15.3996 -15.3996 -14.2936 -14.2936 -13.4553 -13.4553 -10.1375 -10.1375 -1.7792 -1.7792 -1.3361 -1.3361 -0.4336 -0.4336 0.3514 0.3514 0.9343 0.9343 0.9932 0.9932 1.2857 1.2857 1.3684 1.3684 1.6643 1.6643 2.4495 2.4495 2.7243 2.7243 3.7739 3.7739 k = 0.3750-0.0776-0.0655 ( 5703 PWs) bands (ev): -39.0587 -39.0587 -15.3652 -15.3652 -14.3354 -14.3354 -13.4553 -13.4553 -10.1473 -10.1473 -1.7427 -1.7427 -1.2854 -1.2854 -0.3363 -0.3363 0.3148 0.3148 0.9180 0.9180 0.9912 0.9912 1.2522 1.2522 1.3368 1.3368 1.6517 1.6517 2.3696 2.3696 2.7377 2.7377 3.7582 3.7582 k = 0.3864-0.0799-0.0674 ( 5711 PWs) bands (ev): -39.0587 -39.0587 -15.3304 -15.3304 -14.3771 -14.3771 -13.4554 -13.4554 -10.1564 -10.1564 -1.7077 -1.7077 -1.2350 -1.2350 -0.2388 -0.2388 0.2771 0.2771 0.9003 0.9003 0.9882 0.9882 1.2215 1.2215 1.3072 1.3072 1.6393 1.6393 2.2922 2.2922 2.7505 2.7505 3.7432 3.7432 k = 0.3977-0.0823-0.0694 ( 5709 PWs) bands (ev): -39.0586 -39.0586 -15.2956 -15.2956 -14.4183 -14.4183 -13.4555 -13.4555 -10.1647 -10.1647 -1.6746 -1.6746 -1.1855 -1.1855 -0.1415 -0.1415 0.2388 0.2388 0.8814 0.8814 0.9839 0.9839 1.1937 1.1937 1.2791 1.2791 1.6271 1.6271 2.2181 2.2181 2.7626 2.7626 3.7291 3.7291 k = 0.4091-0.0846-0.0714 ( 5711 PWs) bands (ev): -39.0585 -39.0585 -15.2608 -15.2608 -14.4588 -14.4588 -13.4555 -13.4555 -10.1723 -10.1723 -1.6438 -1.6438 -1.1373 -1.1373 -0.0447 -0.0447 0.2003 0.2003 0.8621 0.8621 0.9776 0.9776 1.1690 1.1690 1.2523 1.2523 1.6149 1.6149 2.1485 2.1485 2.7740 2.7740 3.7159 3.7159 k = 0.4205-0.0870-0.0734 ( 5721 PWs) bands (ev): -39.0585 -39.0585 -15.2265 -15.2265 -14.4983 -14.4983 -13.4556 -13.4556 -10.1789 -10.1789 -1.6155 -1.6155 -1.0910 -1.0910 0.0512 0.0512 0.1622 0.1622 0.8427 0.8427 0.9688 0.9688 1.1473 1.1473 1.2265 1.2265 1.6027 1.6027 2.0847 2.0847 2.7845 2.7845 3.7039 3.7039 k = 0.4318-0.0893-0.0754 ( 5721 PWs) bands (ev): -39.0584 -39.0584 -15.1930 -15.1930 -14.5363 -14.5363 -13.4556 -13.4556 -10.1848 -10.1848 -1.5902 -1.5902 -1.0474 -1.0474 0.1255 0.1255 0.1458 0.1458 0.8239 0.8239 0.9564 0.9564 1.1287 1.1287 1.2017 1.2017 1.5907 1.5907 2.0279 2.0279 2.7938 2.7938 3.6931 3.6931 k = 0.4432-0.0917-0.0774 ( 5711 PWs) bands (ev): -39.0584 -39.0584 -15.1610 -15.1610 -14.5722 -14.5722 -13.4557 -13.4557 -10.1897 -10.1897 -1.5680 -1.5680 -1.0073 -1.0073 0.0911 0.0911 0.2382 0.2382 0.8062 0.8062 0.9390 0.9390 1.1130 1.1130 1.1784 1.1784 1.5791 1.5791 1.9791 1.9791 2.8021 2.8021 3.6837 3.6837 k = 0.4545-0.0941-0.0793 ( 5721 PWs) bands (ev): -39.0583 -39.0583 -15.1313 -15.1313 -14.6050 -14.6050 -13.4557 -13.4557 -10.1938 -10.1938 -1.5495 -1.5495 -0.9720 -0.9720 0.0602 0.0602 0.3275 0.3275 0.7897 0.7897 0.9154 0.9154 1.1002 1.1002 1.1577 1.1577 1.5684 1.5684 1.9391 1.9391 2.8090 2.8090 3.6758 3.6758 k = 0.4659-0.0964-0.0813 ( 5721 PWs) bands (ev): -39.0583 -39.0583 -15.1052 -15.1052 -14.6336 -14.6336 -13.4557 -13.4557 -10.1970 -10.1970 -1.5347 -1.5347 -0.9425 -0.9425 0.0341 0.0341 0.4124 0.4124 0.7739 0.7739 0.8858 0.8858 1.0903 1.0903 1.1408 1.1408 1.5590 1.5590 1.9083 1.9083 2.8145 2.8145 3.6695 3.6695 k = 0.4773-0.0988-0.0833 ( 5715 PWs) bands (ev): -39.0583 -39.0583 -15.0844 -15.0844 -14.6563 -14.6563 -13.4557 -13.4557 -10.1992 -10.1992 -1.5239 -1.5239 -0.9202 -0.9202 0.0141 0.0141 0.4902 0.4902 0.7567 0.7567 0.8536 0.8536 1.0833 1.0833 1.1287 1.1287 1.5517 1.5517 1.8867 1.8867 2.8185 2.8185 3.6650 3.6650 k = 0.4886-0.1011-0.0853 ( 5713 PWs) bands (ev): -39.0583 -39.0583 -15.0707 -15.0707 -14.6711 -14.6711 -13.4557 -13.4557 -10.2006 -10.2006 -1.5174 -1.5174 -0.9062 -0.9062 0.0016 0.0016 0.5541 0.5541 0.7352 0.7352 0.8280 0.8280 1.0791 1.0791 1.1215 1.1215 1.5471 1.5471 1.8739 1.8739 2.8209 2.8209 3.6622 3.6622 k = 0.5000-0.1035-0.0873 ( 5716 PWs) bands (ev): -39.0583 -39.0583 -15.0659 -15.0659 -14.6762 -14.6762 -13.4557 -13.4557 -10.2011 -10.2011 -1.5152 -1.5152 -0.9015 -0.9015 -0.0027 -0.0027 0.5834 0.5834 0.7208 0.7208 0.8187 0.8187 1.0777 1.0777 1.1191 1.1191 1.5456 1.5456 1.8696 1.8696 2.8217 2.8217 3.6613 3.6613 k = 0.5000-0.1035-0.0873 ( 5716 PWs) bands (ev): -39.0583 -39.0583 -15.0659 -15.0659 -14.6762 -14.6762 -13.4557 -13.4557 -10.2011 -10.2011 -1.5152 -1.5152 -0.9015 -0.9015 -0.0027 -0.0027 0.5834 0.5834 0.7208 0.7208 0.8187 0.8187 1.0777 1.0777 1.1191 1.1191 1.5456 1.5456 1.8696 1.8696 2.8217 2.8217 3.6613 3.6613 k = 0.5000-0.0959-0.0962 ( 5714 PWs) bands (ev): -39.0583 -39.0583 -15.0653 -15.0653 -14.6761 -14.6761 -13.4567 -13.4567 -10.2013 -10.2013 -1.5140 -1.5140 -0.8982 -0.8982 -0.0055 -0.0055 0.5801 0.5801 0.7206 0.7206 0.8086 0.8086 1.0894 1.0894 1.1194 1.1194 1.5475 1.5475 1.8704 1.8704 2.8210 2.8210 3.6593 3.6593 k = 0.5000-0.0883-0.1052 ( 5712 PWs) bands (ev): -39.0582 -39.0582 -15.0636 -15.0636 -14.6756 -14.6756 -13.4595 -13.4595 -10.2021 -10.2021 -1.5104 -1.5104 -0.8884 -0.8884 -0.0139 -0.0139 0.5694 0.5694 0.7199 0.7199 0.7840 0.7840 1.1178 1.1178 1.1217 1.1217 1.5533 1.5533 1.8728 1.8728 2.8187 2.8187 3.6532 3.6532 k = 0.5000-0.0807-0.1142 ( 5714 PWs) bands (ev): -39.0582 -39.0582 -15.0607 -15.0607 -14.6748 -14.6748 -13.4641 -13.4641 -10.2034 -10.2034 -1.5042 -1.5042 -0.8722 -0.8722 -0.0276 -0.0276 0.5494 0.5494 0.7187 0.7187 0.7555 0.7555 1.1210 1.1210 1.1590 1.1590 1.5630 1.5630 1.8768 1.8768 2.8151 2.8151 3.6432 3.6432 k = 0.5000-0.0732-0.1232 ( 5708 PWs) bands (ev): -39.0582 -39.0582 -15.0566 -15.0566 -14.6737 -14.6737 -13.4706 -13.4706 -10.2052 -10.2052 -1.4954 -1.4954 -0.8497 -0.8497 -0.0464 -0.0464 0.5181 0.5181 0.7170 0.7170 0.7304 0.7304 1.1227 1.1227 1.2017 1.2017 1.5764 1.5764 1.8826 1.8826 2.8103 2.8103 3.6294 3.6294 k = 0.5000-0.0656-0.1321 ( 5706 PWs) bands (ev): -39.0582 -39.0582 -15.0515 -15.0515 -14.6723 -14.6723 -13.4788 -13.4788 -10.2075 -10.2075 -1.4837 -1.4837 -0.8211 -0.8211 -0.0700 -0.0700 0.4759 0.4759 0.7113 0.7113 0.7146 0.7146 1.1249 1.1249 1.2445 1.2445 1.5935 1.5935 1.8905 1.8905 2.8045 2.8045 3.6117 3.6117 k = 0.5000-0.0580-0.1411 ( 5704 PWs) bands (ev): -39.0581 -39.0581 -15.0451 -15.0451 -14.6707 -14.6707 -13.4887 -13.4887 -10.2103 -10.2103 -1.4692 -1.4692 -0.7868 -0.7868 -0.0979 -0.0979 0.4250 0.4250 0.6974 0.6974 0.7114 0.7114 1.1276 1.1276 1.2853 1.2853 1.6141 1.6141 1.9006 1.9006 2.7979 2.7979 3.5905 3.5905 k = 0.5000-0.0505-0.1501 ( 5706 PWs) bands (ev): -39.0581 -39.0581 -15.0377 -15.0377 -14.6689 -14.6689 -13.5001 -13.5001 -10.2135 -10.2135 -1.4515 -1.4515 -0.7470 -0.7470 -0.1298 -0.1298 0.3683 0.3683 0.6865 0.6865 0.7073 0.7073 1.1308 1.1308 1.3229 1.3229 1.6376 1.6376 1.9134 1.9134 2.7909 2.7909 3.5658 3.5658 k = 0.5000-0.0429-0.1591 ( 5716 PWs) bands (ev): -39.0580 -39.0580 -15.0291 -15.0291 -14.6669 -14.6669 -13.5131 -13.5131 -10.2173 -10.2173 -1.4305 -1.4305 -0.7019 -0.7019 -0.1653 -0.1653 0.3078 0.3078 0.6768 0.6768 0.7022 0.7022 1.1347 1.1347 1.3565 1.3565 1.6635 1.6635 1.9291 1.9291 2.7839 2.7839 3.5379 3.5379 k = 0.5000-0.0353-0.1680 ( 5714 PWs) bands (ev): -39.0580 -39.0580 -15.0194 -15.0194 -14.6649 -14.6649 -13.5273 -13.5273 -10.2214 -10.2214 -1.4061 -1.4061 -0.6519 -0.6519 -0.2040 -0.2040 0.2451 0.2451 0.6670 0.6670 0.6959 0.6959 1.1393 1.1393 1.3861 1.3861 1.6910 1.6910 1.9480 1.9480 2.7773 2.7773 3.5071 3.5071 k = 0.5000-0.0278-0.1770 ( 5716 PWs) bands (ev): -39.0579 -39.0579 -15.0086 -15.0086 -14.6629 -14.6629 -13.5429 -13.5429 -10.2260 -10.2260 -1.3782 -1.3782 -0.5971 -0.5971 -0.2457 -0.2457 0.1810 0.1810 0.6561 0.6561 0.6882 0.6882 1.1446 1.1446 1.4116 1.4116 1.7191 1.7191 1.9701 1.9701 2.7717 2.7717 3.4736 3.4736 k = 0.5000-0.0202-0.1860 ( 5720 PWs) bands (ev): -39.0579 -39.0579 -14.9967 -14.9967 -14.6609 -14.6609 -13.5595 -13.5595 -10.2310 -10.2310 -1.3466 -1.3466 -0.5380 -0.5380 -0.2900 -0.2900 0.1163 0.1163 0.6436 0.6436 0.6789 0.6789 1.1506 1.1506 1.4333 1.4333 1.7472 1.7472 1.9953 1.9953 2.7675 2.7675 3.4378 3.4378 k = 0.5000-0.0126-0.1950 ( 5718 PWs) bands (ev): -39.0578 -39.0578 -14.9838 -14.9838 -14.6591 -14.6591 -13.5770 -13.5770 -10.2363 -10.2363 -1.3114 -1.3114 -0.4747 -0.4747 -0.3366 -0.3366 0.0513 0.0513 0.6288 0.6288 0.6677 0.6677 1.1575 1.1575 1.4515 1.4515 1.7749 1.7749 2.0231 2.0231 2.7653 2.7653 3.3999 3.3999 k = 0.5000-0.0050-0.2039 ( 5726 PWs) bands (ev): -39.0577 -39.0577 -14.9697 -14.9697 -14.6575 -14.6575 -13.5953 -13.5953 -10.2419 -10.2419 -1.2724 -1.2724 -0.4080 -0.4080 -0.3849 -0.3849 -0.0135 -0.0135 0.6112 0.6112 0.6544 0.6544 1.1653 1.1653 1.4666 1.4666 1.8019 1.8019 2.0527 2.0527 2.7657 2.7657 3.3604 3.3604 k = 0.5000 0.0025-0.2129 ( 5724 PWs) bands (ev): -39.0576 -39.0576 -14.9547 -14.9547 -14.6563 -14.6563 -13.6141 -13.6141 -10.2478 -10.2478 -1.2297 -1.2297 -0.4362 -0.4362 -0.3365 -0.3365 -0.0780 -0.0780 0.5906 0.5906 0.6387 0.6387 1.1740 1.1740 1.4792 1.4792 1.8284 1.8284 2.0833 2.0833 2.7692 2.7692 3.3196 3.3196 k = 0.5000 0.0101-0.2219 ( 5722 PWs) bands (ev): -39.0575 -39.0575 -14.9386 -14.9386 -14.6556 -14.6556 -13.6333 -13.6333 -10.2539 -10.2539 -1.1832 -1.1832 -0.4886 -0.4886 -0.2625 -0.2625 -0.1417 -0.1417 0.5665 0.5665 0.6205 0.6205 1.1836 1.1836 1.4896 1.4896 1.8544 1.8544 2.1138 2.1138 2.7763 2.7763 3.2779 3.2779 k = 0.5000 0.0177-0.2308 ( 5714 PWs) bands (ev): -39.0574 -39.0574 -14.9215 -14.9215 -14.6555 -14.6555 -13.6527 -13.6527 -10.2602 -10.2602 -1.1331 -1.1331 -0.5424 -0.5424 -0.2079 -0.2079 -0.1821 -0.1821 0.5386 0.5386 0.5994 0.5994 1.1942 1.1942 1.4982 1.4982 1.8801 1.8801 2.1436 2.1436 2.7874 2.7874 3.2358 3.2358 k = 0.5000 0.0252-0.2398 ( 5710 PWs) bands (ev): -39.0573 -39.0573 -14.9035 -14.9035 -14.6562 -14.6562 -13.6721 -13.6721 -10.2667 -10.2667 -1.0793 -1.0793 -0.5977 -0.5977 -0.2683 -0.2683 -0.1036 -0.1036 0.5068 0.5068 0.5753 0.5753 1.2058 1.2058 1.5055 1.5055 1.9056 1.9056 2.1718 2.1718 2.8028 2.8028 3.1935 3.1935 k = 0.5000 0.0328-0.2488 ( 5706 PWs) bands (ev): -39.0572 -39.0572 -14.8844 -14.8844 -14.6577 -14.6577 -13.6912 -13.6912 -10.2731 -10.2731 -1.0220 -1.0220 -0.6540 -0.6540 -0.3296 -0.3296 -0.0205 -0.0205 0.4707 0.4707 0.5479 0.5479 1.2185 1.2185 1.5119 1.5119 1.9310 1.9310 2.1982 2.1982 2.8224 2.8224 3.1517 3.1517 k = 0.5000 0.0404-0.2578 ( 5710 PWs) bands (ev): -39.0571 -39.0571 -14.8645 -14.8645 -14.6602 -14.6602 -13.7099 -13.7099 -10.2796 -10.2796 -0.9613 -0.9613 -0.7113 -0.7113 -0.3901 -0.3901 0.0652 0.0652 0.4304 0.4304 0.5171 0.5171 1.2322 1.2322 1.5178 1.5178 1.9563 1.9563 2.2226 2.2226 2.8462 2.8462 3.1105 3.1105 k = 0.5000 0.0479-0.2667 ( 5716 PWs) bands (ev): -39.0570 -39.0570 -14.8436 -14.8436 -14.6639 -14.6639 -13.7280 -13.7280 -10.2860 -10.2860 -0.8975 -0.8975 -0.7692 -0.7692 -0.4496 -0.4496 0.1531 0.1531 0.3857 0.3857 0.4829 0.4829 1.2469 1.2469 1.5235 1.5235 1.9815 1.9815 2.2448 2.2448 2.8739 2.8739 3.0706 3.0706 k = 0.5000 0.0555-0.2757 ( 5712 PWs) bands (ev): -39.0569 -39.0569 -14.8219 -14.8219 -14.6689 -14.6689 -13.7452 -13.7452 -10.2923 -10.2923 -0.8384 -0.8384 -0.8198 -0.8198 -0.5081 -0.5081 0.2426 0.2426 0.3368 0.3368 0.4453 0.4453 1.2627 1.2627 1.5293 1.5293 2.0065 2.0065 2.2652 2.2652 2.9051 2.9051 3.0321 3.0321 k = 0.5000 0.0631-0.2847 ( 5712 PWs) bands (ev): -39.0567 -39.0567 -14.7994 -14.7994 -14.6753 -14.6753 -13.7613 -13.7613 -10.2983 -10.2983 -0.8886 -0.8886 -0.7584 -0.7584 -0.5655 -0.5655 0.2829 0.2829 0.3313 0.3313 0.4072 0.4072 1.2794 1.2794 1.5354 1.5354 2.0314 2.0314 2.2839 2.2839 2.9392 2.9392 2.9956 2.9956 k = 0.5000 0.0706-0.2937 ( 5712 PWs) bands (ev): -39.0566 -39.0566 -14.7760 -14.7760 -14.6832 -14.6832 -13.7763 -13.7763 -10.3041 -10.3041 -0.9479 -0.9479 -0.6857 -0.6857 -0.6217 -0.6217 0.2259 0.2259 0.3490 0.3490 0.4371 0.4371 1.2972 1.2972 1.5420 1.5420 2.0561 2.0561 2.3012 2.3012 2.9610 2.9610 2.9759 2.9759 k = 0.5000 0.0782-0.3026 ( 5714 PWs) bands (ev): -39.0565 -39.0565 -14.7518 -14.7518 -14.6927 -14.6927 -13.7900 -13.7900 -10.3095 -10.3095 -1.0075 -1.0075 -0.6776 -0.6776 -0.6095 -0.6095 0.1647 0.1647 0.3025 0.3025 0.5291 0.5291 1.3161 1.3161 1.5492 1.5492 2.0806 2.0806 2.3175 2.3175 2.9292 2.9292 3.0143 3.0143 k = 0.5000 0.0858-0.3116 ( 5708 PWs) bands (ev): -39.0564 -39.0564 -14.7269 -14.7269 -14.7038 -14.7038 -13.8022 -13.8022 -10.3145 -10.3145 -1.0671 -1.0671 -0.7318 -0.7318 -0.5319 -0.5319 0.0999 0.0999 0.2498 0.2498 0.6250 0.6250 1.3360 1.3360 1.5571 1.5571 2.1049 2.1049 2.3330 2.3330 2.8999 2.8999 3.0542 3.0542 k = 0.5000 0.0934-0.3206 ( 5696 PWs) bands (ev): -39.0562 -39.0562 -14.7167 -14.7167 -14.7014 -14.7014 -13.8129 -13.8129 -10.3190 -10.3190 -1.1266 -1.1266 -0.7851 -0.7851 -0.4525 -0.4525 0.0317 0.0317 0.1936 0.1936 0.7222 0.7222 1.3570 1.3570 1.5656 1.5656 2.1288 2.1288 2.3479 2.3479 2.8735 2.8735 3.0951 3.0951 k = 0.5000 0.1009-0.3296 ( 5700 PWs) bands (ev): -39.0561 -39.0561 -14.7312 -14.7312 -14.6751 -14.6751 -13.8221 -13.8221 -10.3229 -10.3229 -1.1858 -1.1858 -0.8374 -0.8374 -0.3727 -0.3727 -0.0394 -0.0394 0.1352 0.1352 0.8201 0.8201 1.3791 1.3791 1.5749 1.5749 2.1525 2.1525 2.3623 2.3623 2.8502 2.8502 3.1367 3.1367 k = 0.5000 0.1085-0.3385 ( 5700 PWs) bands (ev): -39.0559 -39.0559 -14.7473 -14.7473 -14.6483 -14.6483 -13.8297 -13.8297 -10.3261 -10.3261 -1.2446 -1.2446 -0.8888 -0.8888 -0.2952 -0.2952 -0.1133 -0.1133 0.0774 0.0774 0.9182 0.9182 1.4026 1.4026 1.5848 1.5848 2.1758 2.1758 2.3765 2.3765 2.8299 2.8299 3.1786 3.1786 k = 0.5000 0.1161-0.3475 ( 5698 PWs) bands (ev): -39.0558 -39.0558 -14.7650 -14.7650 -14.6208 -14.6208 -13.8359 -13.8359 -10.3287 -10.3287 -1.3029 -1.3029 -0.9393 -0.9393 -0.2280 -0.2280 -0.1894 -0.1894 0.0283 0.0283 1.0158 1.0158 1.4277 1.4277 1.5954 1.5954 2.1988 2.1988 2.3906 2.3906 2.8129 2.8129 3.2206 3.2206 k = 0.5000 0.1236-0.3565 ( 5702 PWs) bands (ev): -39.0557 -39.0557 -14.7841 -14.7841 -14.5929 -14.5929 -13.8406 -13.8406 -10.3305 -10.3305 -1.3605 -1.3605 -0.9888 -0.9888 -0.2678 -0.2678 -0.1964 -0.1964 0.0134 0.0134 1.1122 1.1122 1.4550 1.4550 1.6066 1.6066 2.2215 2.2215 2.4045 2.4045 2.7991 2.7991 3.2624 3.2624 k = 0.5000 0.1312-0.3654 ( 5706 PWs) bands (ev): -39.0555 -39.0555 -14.8046 -14.8046 -14.5644 -14.5644 -13.8439 -13.8439 -10.3314 -10.3314 -1.4174 -1.4174 -1.0374 -1.0374 -0.3477 -0.3477 -0.2246 -0.2246 0.0565 0.0565 1.2058 1.2058 1.4855 1.4855 1.6183 1.6183 2.2438 2.2438 2.4184 2.4184 2.7886 2.7886 3.3039 3.3039 k = 0.5000 0.1388-0.3744 ( 5708 PWs) bands (ev): -39.0554 -39.0554 -14.8263 -14.8263 -14.5356 -14.5356 -13.8460 -13.8460 -10.3314 -10.3314 -1.4734 -1.4734 -1.0852 -1.0852 -0.4289 -0.4289 -0.2865 -0.2865 0.1319 0.1319 1.2944 1.2944 1.5213 1.5213 1.6305 1.6305 2.2658 2.2658 2.4323 2.4323 2.7815 2.7815 3.3449 3.3449 k = 0.5000 0.1463-0.3834 ( 5712 PWs) bands (ev): -39.0552 -39.0552 -14.8490 -14.8490 -14.5064 -14.5064 -13.8470 -13.8470 -10.3306 -10.3306 -1.5286 -1.5286 -1.1321 -1.1321 -0.5112 -0.5112 -0.3611 -0.3611 0.2185 0.2185 1.3740 1.3740 1.5659 1.5659 1.6431 1.6431 2.2874 2.2874 2.4462 2.4462 2.7778 2.7778 3.3853 3.3853 k = 0.5000 0.1539-0.3924 ( 5704 PWs) bands (ev): -39.0551 -39.0551 -14.8727 -14.8727 -14.4768 -14.4768 -13.8469 -13.8469 -10.3287 -10.3287 -1.5828 -1.5828 -1.1781 -1.1781 -0.5941 -0.5941 -0.4417 -0.4417 0.3099 0.3099 1.4398 1.4398 1.6234 1.6234 1.6560 1.6560 2.3086 2.3086 2.4601 2.4601 2.7776 2.7776 3.4249 3.4249 k = 0.5000 0.1615-0.4013 ( 5706 PWs) bands (ev): -39.0550 -39.0550 -14.8970 -14.8970 -14.4470 -14.4470 -13.8460 -13.8460 -10.3259 -10.3259 -1.6359 -1.6359 -1.2234 -1.2234 -0.6772 -0.6772 -0.5260 -0.5260 0.4036 0.4036 1.4913 1.4913 1.6688 1.6688 1.6947 1.6947 2.3294 2.3294 2.4740 2.4740 2.7810 2.7810 3.4637 3.4637 k = 0.5000 0.1691-0.4103 ( 5706 PWs) bands (ev): -39.0548 -39.0548 -14.9220 -14.9220 -14.4170 -14.4170 -13.8444 -13.8444 -10.3220 -10.3220 -1.6879 -1.6879 -1.2680 -1.2680 -0.7603 -0.7603 -0.6128 -0.6128 0.4985 0.4985 1.5324 1.5324 1.6822 1.6822 1.7743 1.7743 2.3498 2.3498 2.4879 2.4879 2.7883 2.7883 3.5016 3.5016 k = 0.5000 0.1766-0.4193 ( 5708 PWs) bands (ev): -39.0547 -39.0547 -14.9474 -14.9474 -14.3869 -14.3869 -13.8421 -13.8421 -10.3171 -10.3171 -1.7387 -1.7387 -1.3120 -1.3120 -0.8430 -0.8430 -0.7014 -0.7014 0.5941 0.5941 1.5679 1.5679 1.6956 1.6956 1.8574 1.8574 2.3698 2.3698 2.5019 2.5019 2.7996 2.7996 3.5385 3.5385 k = 0.5000 0.1842-0.4283 ( 5706 PWs) bands (ev): -39.0545 -39.0545 -14.9731 -14.9731 -14.3567 -14.3567 -13.8393 -13.8393 -10.3112 -10.3112 -1.7884 -1.7884 -1.3555 -1.3555 -0.9248 -0.9248 -0.7913 -0.7913 0.6897 0.6897 1.6006 1.6006 1.7091 1.7091 1.9404 1.9404 2.3894 2.3894 2.5159 2.5159 2.8154 2.8154 3.5745 3.5745 k = 0.5000 0.1918-0.4372 ( 5702 PWs) bands (ev): -39.0544 -39.0544 -14.9990 -14.9990 -14.3265 -14.3265 -13.8361 -13.8361 -10.3042 -10.3042 -1.8367 -1.8367 -1.3988 -1.3988 -1.0053 -1.0053 -0.8820 -0.8820 0.7849 0.7849 1.6320 1.6320 1.7225 1.7225 2.0212 2.0212 2.4085 2.4085 2.5298 2.5298 2.8361 2.8361 3.6093 3.6093 k = 0.5000 0.1993-0.4462 ( 5696 PWs) bands (ev): -39.0542 -39.0542 -15.0248 -15.0248 -14.2963 -14.2963 -13.8326 -13.8326 -10.2962 -10.2962 -1.8838 -1.8838 -1.4420 -1.4420 -1.0840 -1.0840 -0.9732 -0.9732 0.8792 0.8792 1.6630 1.6630 1.7358 1.7358 2.0981 2.0981 2.4271 2.4271 2.5438 2.5438 2.8621 2.8621 3.6431 3.6431 k = 0.5000 0.2069-0.4552 ( 5688 PWs) bands (ev): -39.0541 -39.0541 -15.0506 -15.0506 -14.2663 -14.2663 -13.8290 -13.8290 -10.2872 -10.2872 -1.9295 -1.9295 -1.4856 -1.4856 -1.1602 -1.1602 -1.0645 -1.0645 0.9721 0.9721 1.6940 1.6940 1.7491 1.7491 2.1698 2.1698 2.4453 2.4453 2.5577 2.5577 2.8940 2.8940 3.6757 3.6757 k = 0.5000 0.2145-0.4642 ( 5698 PWs) bands (ev): -39.0540 -39.0540 -15.0762 -15.0762 -14.2365 -14.2365 -13.8251 -13.8251 -10.2772 -10.2772 -1.9738 -1.9738 -1.5300 -1.5300 -1.2333 -1.2333 -1.1555 -1.1555 1.0630 1.0630 1.7254 1.7254 1.7624 1.7624 2.2355 2.2355 2.4629 2.4629 2.5716 2.5716 2.9321 2.9321 3.7072 3.7072 k = 0.5000 0.2220-0.4731 ( 5698 PWs) bands (ev): -39.0539 -39.0539 -15.1014 -15.1014 -14.2070 -14.2070 -13.8213 -13.8213 -10.2663 -10.2663 -2.0167 -2.0167 -1.5758 -1.5758 -1.3025 -1.3025 -1.2460 -1.2460 1.1513 1.1513 1.7569 1.7569 1.7764 1.7764 2.2945 2.2945 2.4800 2.4800 2.5854 2.5854 2.9765 2.9765 3.7375 3.7375 k = 0.5000 0.2296-0.4821 ( 5696 PWs) bands (ev): -39.0537 -39.0537 -15.1263 -15.1263 -14.1778 -14.1778 -13.8174 -13.8174 -10.2546 -10.2546 -2.0581 -2.0581 -1.6236 -1.6236 -1.3669 -1.3669 -1.3356 -1.3356 1.2364 1.2364 1.7820 1.7820 1.7981 1.7981 2.3468 2.3468 2.4967 2.4967 2.5992 2.5992 3.0269 3.0269 3.7667 3.7667 k = 0.5000 0.2372-0.4911 ( 5690 PWs) bands (ev): -39.0536 -39.0536 -15.1506 -15.1506 -14.1491 -14.1491 -13.8136 -13.8136 -10.2421 -10.2421 -2.0981 -2.0981 -1.6739 -1.6739 -1.4263 -1.4263 -1.4235 -1.4235 1.3173 1.3173 1.7964 1.7964 1.8322 1.8322 2.3924 2.3924 2.5127 2.5127 2.6128 2.6128 3.0828 3.0828 3.7946 3.7946 k = 0.5000 0.2448-0.5000 ( 5698 PWs) bands (ev): -39.0535 -39.0535 -15.1744 -15.1744 -14.1208 -14.1208 -13.8099 -13.8099 -10.2289 -10.2289 -2.1365 -2.1365 -1.7268 -1.7268 -1.5111 -1.5111 -1.4788 -1.4788 1.3933 1.3933 1.8084 1.8084 1.8709 1.8709 2.4320 2.4320 2.5283 2.5283 2.6262 2.6262 3.1432 3.1432 3.8213 3.8213 k = 0.5000 0.2523-0.5090 ( 5698 PWs) bands (ev): -39.0534 -39.0534 -15.1975 -15.1975 -14.0931 -14.0931 -13.8063 -13.8063 -10.2150 -10.2150 -2.1735 -2.1735 -1.7821 -1.7821 -1.5963 -1.5963 -1.5261 -1.5261 1.4634 1.4634 1.8197 1.8197 1.9133 1.9133 2.4664 2.4664 2.5433 2.5433 2.6394 2.6394 3.2069 3.2069 3.8468 3.8468 k = 0.5000 0.2599-0.5180 ( 5704 PWs) bands (ev): -39.0533 -39.0533 -15.2198 -15.2198 -14.0661 -14.0661 -13.8029 -13.8029 -10.2006 -10.2006 -2.2088 -2.2088 -1.8391 -1.8391 -1.6796 -1.6796 -1.5681 -1.5681 1.5269 1.5269 1.8305 1.8305 1.9594 1.9594 2.4964 2.4964 2.5577 2.5577 2.6524 2.6524 3.2729 3.2729 3.8711 3.8711 k = 0.6442 0.3773 0.1689 ( 5704 PWs) bands (ev): -39.0533 -39.0533 -15.2198 -15.2198 -14.0663 -14.0663 -13.8028 -13.8028 -10.2006 -10.2006 -2.2088 -2.2088 -1.8391 -1.8391 -1.6795 -1.6795 -1.5681 -1.5681 1.5268 1.5268 1.8306 1.8306 1.9593 1.9593 2.4965 2.4965 2.5577 2.5577 2.6525 2.6525 3.2729 3.2729 3.8711 3.8711 k = 0.6370 0.3788 0.1776 ( 5702 PWs) bands (ev): -39.0532 -39.0532 -15.2408 -15.2408 -14.0407 -14.0407 -13.7996 -13.7996 -10.1863 -10.1863 -2.2417 -2.2417 -1.8952 -1.8952 -1.7583 -1.7583 -1.6045 -1.6045 1.5819 1.5819 1.8405 1.8405 2.0078 2.0078 2.5221 2.5221 2.5712 2.5712 2.6649 2.6649 3.3382 3.3382 3.8935 3.8935 k = 0.6298 0.3803 0.1864 ( 5704 PWs) bands (ev): -39.0531 -39.0531 -15.2610 -15.2610 -14.0159 -14.0159 -13.7966 -13.7966 -10.1716 -10.1716 -2.2731 -2.2731 -1.9512 -1.9512 -1.8347 -1.8347 -1.6374 -1.6374 1.6305 1.6305 1.8499 1.8499 2.0595 2.0595 2.5449 2.5449 2.5842 2.5842 2.6769 2.6769 3.4038 3.4038 3.9148 3.9148 k = 0.6226 0.3818 0.1951 ( 5706 PWs) bands (ev): -39.0530 -39.0530 -15.2804 -15.2804 -13.9920 -13.9920 -13.7939 -13.7939 -10.1568 -10.1568 -2.3030 -2.3030 -2.0063 -2.0063 -1.9085 -1.9085 -1.6671 -1.6671 1.6729 1.6729 1.8588 1.8588 2.1137 2.1137 2.5654 2.5654 2.5967 2.5967 2.6886 2.6886 3.4687 3.4687 3.9349 3.9349 k = 0.6154 0.3833 0.2038 ( 5714 PWs) bands (ev): -39.0529 -39.0529 -15.2988 -15.2988 -13.9690 -13.9690 -13.7913 -13.7913 -10.1419 -10.1419 -2.3314 -2.3314 -2.0600 -2.0600 -1.9795 -1.9795 -1.6942 -1.6942 1.7099 1.7099 1.8672 1.8672 2.1695 2.1695 2.5839 2.5839 2.6087 2.6087 2.6998 2.6998 3.5325 3.5325 3.9539 3.9539 k = 0.6081 0.3848 0.2125 ( 5716 PWs) bands (ev): -39.0528 -39.0528 -15.3164 -15.3164 -13.9469 -13.9469 -13.7889 -13.7889 -10.1270 -10.1270 -2.3583 -2.3583 -2.1118 -2.1118 -2.0474 -2.0474 -1.7190 -1.7190 1.7422 1.7422 1.8751 1.8751 2.2256 2.2256 2.6007 2.6007 2.6202 2.6202 2.7107 2.7107 3.5945 3.5945 3.9717 3.9717 k = 0.6009 0.3863 0.2213 ( 5716 PWs) bands (ev): -39.0527 -39.0527 -15.3329 -15.3329 -13.9259 -13.9259 -13.7868 -13.7868 -10.1123 -10.1123 -2.3837 -2.3837 -2.1612 -2.1612 -2.1121 -2.1121 -1.7416 -1.7416 1.7704 1.7704 1.8825 1.8825 2.2811 2.2811 2.6161 2.6161 2.6314 2.6314 2.7210 2.7210 3.6543 3.6543 3.9884 3.9884 k = 0.5937 0.3877 0.2300 ( 5712 PWs) bands (ev): -39.0526 -39.0526 -15.3485 -15.3485 -13.9061 -13.9061 -13.7848 -13.7848 -10.0980 -10.0980 -2.4077 -2.4077 -2.2079 -2.2079 -2.1732 -2.1732 -1.7624 -1.7624 1.7953 1.7953 1.8893 1.8893 2.3350 2.3350 2.6300 2.6300 2.6426 2.6426 2.7308 2.7308 3.7115 3.7115 4.0039 4.0039 k = 0.5865 0.3892 0.2387 ( 5712 PWs) bands (ev): -39.0526 -39.0526 -15.3630 -15.3630 -13.8874 -13.8874 -13.7830 -13.7830 -10.0841 -10.0841 -2.4301 -2.4301 -2.2517 -2.2517 -2.2308 -2.2308 -1.7813 -1.7813 1.8173 1.8173 1.8956 1.8956 2.3865 2.3865 2.6423 2.6423 2.6540 2.6540 2.7400 2.7400 3.7656 3.7656 4.0183 4.0183 k = 0.5793 0.3907 0.2474 ( 5720 PWs) bands (ev): -39.0525 -39.0525 -15.3765 -15.3765 -13.8700 -13.8700 -13.7814 -13.7814 -10.0707 -10.0707 -2.4512 -2.4512 -2.2924 -2.2924 -2.2843 -2.2843 -1.7985 -1.7985 1.8368 1.8368 1.9014 1.9014 2.4346 2.4346 2.6528 2.6528 2.6661 2.6661 2.7486 2.7486 3.8164 3.8164 4.0315 4.0315 k = 0.5721 0.3922 0.2562 ( 5728 PWs) bands (ev): -39.0524 -39.0524 -15.3888 -15.3888 -13.8538 -13.8538 -13.7800 -13.7800 -10.0580 -10.0580 -2.4708 -2.4708 -2.3345 -2.3345 -2.3291 -2.3291 -1.8141 -1.8141 1.8540 1.8540 1.9066 1.9066 2.4787 2.4787 2.6619 2.6619 2.6790 2.6790 2.7566 2.7566 3.8636 3.8636 4.0436 4.0436 k = 0.5649 0.3937 0.2649 ( 5728 PWs) bands (ev): -39.0524 -39.0524 -15.4001 -15.4001 -13.8390 -13.8390 -13.7788 -13.7788 -10.0461 -10.0461 -2.4891 -2.4891 -2.3798 -2.3798 -2.3629 -2.3629 -1.8282 -1.8282 1.8693 1.8693 1.9114 1.9114 2.5180 2.5180 2.6698 2.6698 2.6926 2.6926 2.7639 2.7639 3.9069 3.9069 4.0546 4.0546 k = 0.5577 0.3952 0.2736 ( 5732 PWs) bands (ev): -39.0523 -39.0523 -15.4102 -15.4102 -13.8257 -13.8257 -13.7777 -13.7777 -10.0351 -10.0351 -2.5061 -2.5061 -2.4209 -2.4209 -2.3927 -2.3927 -1.8406 -1.8406 1.8826 1.8826 1.9156 1.9156 2.5519 2.5519 2.6767 2.6767 2.7069 2.7069 2.7706 2.7706 3.9462 3.9462 4.0645 4.0645 k = 0.5505 0.3967 0.2824 ( 5734 PWs) bands (ev): -39.0523 -39.0523 -15.4192 -15.4192 -13.8137 -13.8137 -13.7768 -13.7768 -10.0251 -10.0251 -2.5217 -2.5217 -2.4575 -2.4575 -2.4186 -2.4186 -1.8516 -1.8516 1.8942 1.8942 1.9193 1.9193 2.5801 2.5801 2.6828 2.6828 2.7220 2.7220 2.7765 2.7765 3.9812 3.9812 4.0733 4.0733 k = 0.5433 0.3982 0.2911 ( 5730 PWs) bands (ev): -39.0523 -39.0523 -15.4270 -15.4270 -13.8033 -13.8033 -13.7760 -13.7760 -10.0163 -10.0163 -2.5359 -2.5359 -2.4895 -2.4895 -2.4406 -2.4406 -1.8611 -1.8611 1.9041 1.9041 1.9225 1.9225 2.6025 2.6025 2.6881 2.6881 2.7376 2.7376 2.7817 2.7817 4.0116 4.0116 4.0811 4.0811 k = 0.5360 0.3997 0.2998 ( 5734 PWs) bands (ev): -39.0522 -39.0522 -15.4336 -15.4336 -13.7945 -13.7945 -13.7754 -13.7754 -10.0086 -10.0086 -2.5485 -2.5485 -2.5168 -2.5168 -2.4588 -2.4588 -1.8690 -1.8690 1.9125 1.9125 1.9253 1.9253 2.6197 2.6197 2.6926 2.6926 2.7529 2.7529 2.7861 2.7861 4.0373 4.0373 4.0880 4.0880 k = 0.5288 0.4012 0.3085 ( 5730 PWs) bands (ev): -39.0522 -39.0522 -15.4390 -15.4390 -13.7871 -13.7871 -13.7748 -13.7748 -10.0022 -10.0022 -2.5594 -2.5594 -2.5392 -2.5392 -2.4732 -2.4732 -1.8756 -1.8756 1.9192 1.9192 1.9275 1.9275 2.6324 2.6324 2.6962 2.6962 2.7670 2.7670 2.7898 2.7898 4.0580 4.0580 4.0942 4.0942 k = 0.5216 0.4027 0.3173 ( 5730 PWs) bands (ev): -39.0522 -39.0522 -15.4432 -15.4432 -13.7814 -13.7814 -13.7744 -13.7744 -9.9972 -9.9972 -2.5683 -2.5683 -2.5566 -2.5566 -2.4842 -2.4842 -1.8806 -1.8806 1.9244 1.9244 1.9293 1.9293 2.6414 2.6414 2.6991 2.6991 2.7788 2.7788 2.7928 2.7928 4.0733 4.0733 4.0999 4.0999 k = 0.5144 0.4042 0.3260 ( 5724 PWs) bands (ev): -39.0522 -39.0522 -15.4463 -15.4463 -13.7773 -13.7773 -13.7742 -13.7742 -9.9936 -9.9936 -2.5751 -2.5751 -2.5688 -2.5688 -2.4918 -2.4918 -1.8842 -1.8842 1.9280 1.9280 1.9306 1.9306 2.6475 2.6475 2.7011 2.7011 2.7875 2.7875 2.7952 2.7952 4.0832 4.0832 4.1051 4.1051 k = 0.5072 0.4056 0.3347 ( 5724 PWs) bands (ev): -39.0521 -39.0521 -15.4481 -15.4481 -13.7749 -13.7749 -13.7740 -13.7740 -9.9914 -9.9914 -2.5798 -2.5798 -2.5757 -2.5757 -2.4963 -2.4963 -1.8864 -1.8864 1.9299 1.9299 1.9316 1.9316 2.6509 2.6509 2.7024 2.7024 2.7923 2.7923 2.7973 2.7973 4.0883 4.0883 4.1090 4.1090 k = 0.5000 0.4071 0.3435 ( 5716 PWs) bands (ev): -39.0521 -39.0521 -15.4487 -15.4487 -13.7741 -13.7741 -13.7739 -13.7739 -9.9907 -9.9907 -2.5817 -2.5817 -2.5777 -2.5777 -2.4978 -2.4978 -1.8871 -1.8871 1.9305 1.9305 1.9321 1.9321 2.6520 2.6520 2.7028 2.7028 2.7936 2.7936 2.7984 2.7984 4.0898 4.0898 4.1105 4.1105 k = 0.5000 0.4071 0.3435 ( 5716 PWs) bands (ev): -39.0521 -39.0521 -15.4487 -15.4487 -13.7741 -13.7741 -13.7739 -13.7739 -9.9907 -9.9907 -2.5817 -2.5817 -2.5777 -2.5777 -2.4978 -2.4978 -1.8871 -1.8871 1.9305 1.9305 1.9321 1.9321 2.6520 2.6520 2.7028 2.7028 2.7936 2.7936 2.7984 2.7984 4.0898 4.0898 4.1105 4.1105 k = 0.4921 0.4007 0.3380 ( 5704 PWs) bands (ev): -39.0521 -39.0521 -15.4491 -15.4491 -13.7739 -13.7739 -13.7737 -13.7737 -9.9906 -9.9906 -2.5812 -2.5812 -2.5772 -2.5772 -2.4972 -2.4972 -1.8858 -1.8858 1.9292 1.9292 1.9308 1.9308 2.6518 2.6518 2.7017 2.7017 2.7933 2.7933 2.7981 2.7981 4.0898 4.0898 4.1105 4.1105 k = 0.4841 0.3942 0.3325 ( 5716 PWs) bands (ev): -39.0522 -39.0522 -15.4502 -15.4502 -13.7733 -13.7733 -13.7732 -13.7732 -9.9905 -9.9905 -2.5799 -2.5799 -2.5759 -2.5759 -2.4955 -2.4955 -1.8819 -1.8819 1.9254 1.9254 1.9270 1.9270 2.6512 2.6512 2.6984 2.6984 2.7926 2.7926 2.7974 2.7974 4.0899 4.0899 4.1105 4.1105 k = 0.4762 0.3877 0.3271 ( 5716 PWs) bands (ev): -39.0522 -39.0522 -15.4520 -15.4520 -13.7724 -13.7724 -13.7723 -13.7723 -9.9904 -9.9904 -2.5776 -2.5776 -2.5737 -2.5737 -2.4928 -2.4928 -1.8752 -1.8752 1.9190 1.9190 1.9206 1.9206 2.6503 2.6503 2.6929 2.6929 2.7914 2.7914 2.7962 2.7962 4.0900 4.0900 4.1107 4.1107 k = 0.4683 0.3813 0.3216 ( 5722 PWs) bands (ev): -39.0522 -39.0522 -15.4546 -15.4546 -13.7712 -13.7712 -13.7710 -13.7710 -9.9901 -9.9901 -2.5745 -2.5745 -2.5705 -2.5705 -2.4891 -2.4891 -1.8658 -1.8658 1.9102 1.9102 1.9118 1.9118 2.6489 2.6489 2.6852 2.6852 2.7897 2.7897 2.7945 2.7945 4.0901 4.0901 4.1108 4.1108 k = 0.4603 0.3748 0.3162 ( 5728 PWs) bands (ev): -39.0523 -39.0523 -15.4579 -15.4579 -13.7695 -13.7695 -13.7694 -13.7694 -9.9898 -9.9898 -2.5705 -2.5705 -2.5665 -2.5665 -2.4845 -2.4845 -1.8535 -1.8535 1.8989 1.8989 1.9004 1.9004 2.6471 2.6471 2.6754 2.6754 2.7875 2.7875 2.7924 2.7924 4.0903 4.0903 4.1110 4.1110 k = 0.4524 0.3684 0.3107 ( 5734 PWs) bands (ev): -39.0524 -39.0524 -15.4619 -15.4619 -13.7675 -13.7675 -13.7674 -13.7674 -9.9894 -9.9894 -2.5657 -2.5657 -2.5617 -2.5617 -2.4793 -2.4793 -1.8382 -1.8382 1.8853 1.8853 1.8868 1.8868 2.6450 2.6450 2.6635 2.6635 2.7849 2.7849 2.7898 2.7898 4.0906 4.0906 4.1113 4.1113 k = 0.4444 0.3619 0.3053 ( 5734 PWs) bands (ev): -39.0524 -39.0524 -15.4665 -15.4665 -13.7652 -13.7652 -13.7650 -13.7650 -9.9889 -9.9889 -2.5600 -2.5600 -2.5560 -2.5560 -2.4737 -2.4737 -1.8198 -1.8198 1.8693 1.8693 1.8708 1.8708 2.6423 2.6423 2.6497 2.6497 2.7819 2.7819 2.7868 2.7868 4.0908 4.0908 4.1116 4.1116 k = 0.4365 0.3554 0.2998 ( 5743 PWs) bands (ev): -39.0525 -39.0525 -15.4719 -15.4719 -13.7625 -13.7625 -13.7623 -13.7623 -9.9883 -9.9883 -2.5536 -2.5536 -2.5496 -2.5496 -2.4678 -2.4678 -1.7980 -1.7980 1.8511 1.8511 1.8525 1.8525 2.6331 2.6331 2.6401 2.6401 2.7784 2.7784 2.7834 2.7834 4.0912 4.0912 4.1119 4.1119 k = 0.4286 0.3490 0.2944 ( 5731 PWs) bands (ev): -39.0526 -39.0526 -15.4780 -15.4780 -13.7594 -13.7594 -13.7593 -13.7593 -9.9876 -9.9876 -2.5464 -2.5464 -2.5424 -2.5424 -2.4618 -2.4618 -1.7728 -1.7728 1.8308 1.8308 1.8322 1.8322 2.6155 2.6155 2.6367 2.6367 2.7745 2.7745 2.7795 2.7795 4.0915 4.0915 4.1124 4.1124 k = 0.4206 0.3425 0.2889 ( 5737 PWs) bands (ev): -39.0527 -39.0527 -15.4847 -15.4847 -13.7561 -13.7561 -13.7559 -13.7559 -9.9867 -9.9867 -2.5384 -2.5384 -2.5344 -2.5344 -2.4560 -2.4560 -1.7441 -1.7441 1.8085 1.8085 1.8098 1.8098 2.5959 2.5959 2.6331 2.6331 2.7703 2.7703 2.7752 2.7752 4.0919 4.0919 4.1128 4.1128 k = 0.4127 0.3360 0.2835 ( 5725 PWs) bands (ev): -39.0528 -39.0528 -15.4920 -15.4920 -13.7524 -13.7524 -13.7522 -13.7522 -9.9857 -9.9857 -2.5298 -2.5298 -2.5257 -2.5257 -2.4505 -2.4505 -1.7117 -1.7117 1.7843 1.7843 1.7855 1.7855 2.5744 2.5744 2.6292 2.6292 2.7657 2.7657 2.7706 2.7706 4.0924 4.0924 4.1133 4.1133 k = 0.4048 0.3296 0.2780 ( 5725 PWs) bands (ev): -39.0530 -39.0530 -15.4999 -15.4999 -13.7483 -13.7483 -13.7482 -13.7482 -9.9846 -9.9846 -2.5205 -2.5205 -2.5164 -2.5164 -2.4454 -2.4454 -1.6757 -1.6757 1.7583 1.7583 1.7595 1.7595 2.5514 2.5514 2.6250 2.6250 2.7607 2.7607 2.7655 2.7655 4.0929 4.0929 4.1139 4.1139 k = 0.3968 0.3231 0.2726 ( 5734 PWs) bands (ev): -39.0531 -39.0531 -15.5084 -15.5084 -13.7440 -13.7440 -13.7438 -13.7438 -9.9832 -9.9832 -2.5107 -2.5107 -2.5065 -2.5065 -2.4409 -2.4409 -1.6359 -1.6359 1.7307 1.7307 1.7318 1.7318 2.5268 2.5268 2.6205 2.6205 2.7553 2.7553 2.7602 2.7602 4.0935 4.0935 4.1145 4.1145 k = 0.3889 0.3167 0.2671 ( 5740 PWs) bands (ev): -39.0533 -39.0533 -15.5175 -15.5175 -13.7393 -13.7393 -13.7392 -13.7392 -9.9817 -9.9817 -2.5002 -2.5002 -2.4961 -2.4961 -2.4371 -2.4371 -1.5924 -1.5924 1.7016 1.7016 1.7026 1.7026 2.5007 2.5007 2.6156 2.6156 2.7497 2.7497 2.7544 2.7544 4.0942 4.0942 4.1152 4.1152 k = 0.3810 0.3102 0.2617 ( 5734 PWs) bands (ev): -39.0534 -39.0534 -15.5271 -15.5271 -13.7344 -13.7344 -13.7342 -13.7342 -9.9801 -9.9801 -2.4893 -2.4893 -2.4851 -2.4851 -2.4340 -2.4340 -1.5452 -1.5452 1.6712 1.6712 1.6721 1.6721 2.4734 2.4734 2.6105 2.6105 2.7437 2.7437 2.7484 2.7484 4.0949 4.0949 4.1160 4.1160 k = 0.3730 0.3037 0.2562 ( 5737 PWs) bands (ev): -39.0536 -39.0536 -15.5373 -15.5373 -13.7291 -13.7291 -13.7290 -13.7290 -9.9782 -9.9782 -2.4780 -2.4780 -2.4738 -2.4738 -2.4317 -2.4317 -1.4944 -1.4944 1.6396 1.6396 1.6404 1.6404 2.4448 2.4448 2.6051 2.6051 2.7374 2.7374 2.7421 2.7421 4.0956 4.0956 4.1168 4.1168 k = 0.3651 0.2973 0.2508 ( 5737 PWs) bands (ev): -39.0537 -39.0537 -15.5479 -15.5479 -13.7236 -13.7236 -13.7235 -13.7235 -9.9761 -9.9761 -2.4662 -2.4662 -2.4620 -2.4620 -2.4302 -2.4302 -1.4400 -1.4400 1.6070 1.6070 1.6077 1.6077 2.4151 2.4151 2.5995 2.5995 2.7309 2.7309 2.7354 2.7354 4.0964 4.0964 4.1177 4.1177 k = 0.3571 0.2908 0.2453 ( 5737 PWs) bands (ev): -39.0539 -39.0539 -15.5590 -15.5590 -13.7178 -13.7178 -13.7177 -13.7177 -9.9737 -9.9737 -2.4542 -2.4542 -2.4500 -2.4500 -2.4295 -2.4295 -1.3823 -1.3823 1.5735 1.5735 1.5742 1.5742 2.3845 2.3845 2.5935 2.5935 2.7241 2.7241 2.7285 2.7285 4.0973 4.0973 4.1187 4.1187 k = 0.3492 0.2843 0.2399 ( 5728 PWs) bands (ev): -39.0541 -39.0541 -15.5705 -15.5705 -13.7118 -13.7118 -13.7117 -13.7117 -9.9712 -9.9712 -2.4420 -2.4420 -2.4377 -2.4377 -2.4296 -2.4296 -1.3214 -1.3214 1.5394 1.5394 1.5400 1.5400 2.3531 2.3531 2.5874 2.5874 2.7170 2.7170 2.7214 2.7214 4.0983 4.0983 4.1197 4.1197 k = 0.3413 0.2779 0.2344 ( 5704 PWs) bands (ev): -39.0543 -39.0543 -15.5823 -15.5823 -13.7055 -13.7055 -13.7054 -13.7054 -9.9684 -9.9684 -2.4305 -2.4305 -2.4295 -2.4295 -2.4252 -2.4252 -1.2573 -1.2573 1.5048 1.5048 1.5053 1.5053 2.3209 2.3209 2.5811 2.5811 2.7097 2.7097 2.7140 2.7140 4.0993 4.0993 4.1208 4.1208 k = 0.3333 0.2714 0.2290 ( 5710 PWs) bands (ev): -39.0545 -39.0545 -15.5946 -15.5946 -13.6990 -13.6990 -13.6989 -13.6989 -9.9653 -9.9653 -2.4321 -2.4321 -2.4170 -2.4170 -2.4126 -2.4126 -1.1904 -1.1904 1.4698 1.4698 1.4703 1.4703 2.2882 2.2882 2.5745 2.5745 2.7022 2.7022 2.7064 2.7064 4.1003 4.1003 4.1219 4.1219 k = 0.3254 0.2650 0.2235 ( 5698 PWs) bands (ev): -39.0547 -39.0547 -15.6071 -15.6071 -13.6923 -13.6923 -13.6921 -13.6921 -9.9620 -9.9620 -2.4344 -2.4344 -2.4045 -2.4045 -2.4001 -2.4001 -1.1206 -1.1206 1.4347 1.4347 1.4351 1.4351 2.2550 2.2550 2.5678 2.5678 2.6945 2.6945 2.6986 2.6986 4.1015 4.1015 4.1231 4.1231 k = 0.3175 0.2585 0.2181 ( 5716 PWs) bands (ev): -39.0549 -39.0549 -15.6200 -15.6200 -13.6854 -13.6854 -13.6852 -13.6852 -9.9585 -9.9585 -2.4374 -2.4374 -2.3920 -2.3920 -2.3876 -2.3876 -1.0483 -1.0483 1.3996 1.3996 1.3999 1.3999 2.2215 2.2215 2.5609 2.5609 2.6866 2.6866 2.6906 2.6906 4.1026 4.1026 4.1244 4.1244 k = 0.3095 0.2520 0.2126 ( 5704 PWs) bands (ev): -39.0551 -39.0551 -15.6331 -15.6331 -13.6782 -13.6782 -13.6781 -13.6781 -9.9547 -9.9547 -2.4411 -2.4411 -2.3797 -2.3797 -2.3752 -2.3752 -0.9737 -0.9737 1.3647 1.3647 1.3650 1.3650 2.1879 2.1879 2.5538 2.5538 2.6786 2.6786 2.6825 2.6825 4.1039 4.1039 4.1257 4.1257 k = 0.3016 0.2456 0.2072 ( 5704 PWs) bands (ev): -39.0553 -39.0553 -15.6464 -15.6464 -13.6710 -13.6710 -13.6708 -13.6708 -9.9506 -9.9506 -2.4454 -2.4454 -2.3676 -2.3676 -2.3631 -2.3631 -0.8968 -0.8968 1.3302 1.3302 1.3304 1.3304 2.1541 2.1541 2.5467 2.5467 2.6704 2.6704 2.6742 2.6742 4.1052 4.1052 4.1271 4.1271 k = 0.2937 0.2391 0.2017 ( 5698 PWs) bands (ev): -39.0555 -39.0555 -15.6599 -15.6599 -13.6635 -13.6635 -13.6634 -13.6634 -9.9463 -9.9463 -2.4503 -2.4503 -2.3557 -2.3557 -2.3512 -2.3512 -0.8179 -0.8179 1.2961 1.2961 1.2963 1.2963 2.1204 2.1204 2.5394 2.5394 2.6621 2.6621 2.6659 2.6659 4.1066 4.1066 4.1285 4.1285 k = 0.2857 0.2326 0.1963 ( 5698 PWs) bands (ev): -39.0558 -39.0558 -15.6735 -15.6735 -13.6559 -13.6559 -13.6558 -13.6558 -9.9418 -9.9418 -2.4558 -2.4558 -2.3443 -2.3443 -2.3397 -2.3397 -0.7372 -0.7372 1.2627 1.2627 1.2629 1.2629 2.0869 2.0869 2.5320 2.5320 2.6538 2.6538 2.6574 2.6574 4.1080 4.1080 4.1300 4.1300 k = 0.2778 0.2262 0.1908 ( 5698 PWs) bands (ev): -39.0560 -39.0560 -15.6873 -15.6873 -13.6483 -13.6483 -13.6481 -13.6481 -9.9370 -9.9370 -2.4618 -2.4618 -2.3333 -2.3333 -2.3287 -2.3287 -0.6550 -0.6550 1.2301 1.2301 1.2303 1.2303 2.0537 2.0537 2.5246 2.5246 2.6453 2.6453 2.6488 2.6488 4.1094 4.1094 4.1315 4.1315 k = 0.2698 0.2197 0.1854 ( 5692 PWs) bands (ev): -39.0562 -39.0562 -15.7011 -15.7011 -13.6405 -13.6405 -13.6403 -13.6403 -9.9320 -9.9320 -2.4683 -2.4683 -2.3228 -2.3228 -2.3181 -2.3181 -0.5714 -0.5714 1.1984 1.1984 1.1986 1.1986 2.0209 2.0209 2.5171 2.5171 2.6368 2.6368 2.6402 2.6402 4.1109 4.1109 4.1331 4.1331 k = 0.2619 0.2133 0.1799 ( 5676 PWs) bands (ev): -39.0564 -39.0564 -15.7150 -15.7150 -13.6326 -13.6326 -13.6324 -13.6324 -9.9268 -9.9268 -2.4753 -2.4753 -2.3129 -2.3129 -2.3082 -2.3082 -0.4867 -0.4867 1.1678 1.1678 1.1681 1.1681 1.9887 1.9887 2.5095 2.5095 2.6282 2.6282 2.6316 2.6316 4.1125 4.1125 4.1348 4.1348 k = 0.2540 0.2068 0.1745 ( 5670 PWs) bands (ev): -39.0567 -39.0567 -15.7289 -15.7289 -13.6246 -13.6246 -13.6245 -13.6245 -9.9213 -9.9213 -2.4827 -2.4827 -2.3036 -2.3036 -2.2989 -2.2989 -0.4010 -0.4010 1.1383 1.1383 1.1387 1.1387 1.9571 1.9571 2.5020 2.5020 2.6196 2.6196 2.6229 2.6229 4.1141 4.1141 4.1364 4.1364 k = 0.2460 0.2003 0.1690 ( 5688 PWs) bands (ev): -39.0569 -39.0569 -15.7428 -15.7428 -13.6167 -13.6167 -13.6165 -13.6165 -9.9157 -9.9157 -2.4905 -2.4905 -2.2950 -2.2950 -2.2903 -2.2903 -0.3147 -0.3147 1.1102 1.1102 1.1106 1.1106 1.9263 1.9263 2.4944 2.4944 2.6110 2.6110 2.6142 2.6142 4.1157 4.1157 4.1381 4.1381 k = 0.2381 0.1939 0.1635 ( 5682 PWs) bands (ev): -39.0571 -39.0571 -15.7566 -15.7566 -13.6087 -13.6087 -13.6085 -13.6085 -9.9099 -9.9099 -2.4987 -2.4987 -2.2872 -2.2872 -2.2824 -2.2824 -0.2280 -0.2280 1.0834 1.0834 1.0839 1.0839 1.8965 1.8965 2.4869 2.4869 2.6025 2.6025 2.6056 2.6056 4.1174 4.1174 4.1399 4.1399 k = 0.2302 0.1874 0.1581 ( 5688 PWs) bands (ev): -39.0574 -39.0574 -15.7703 -15.7703 -13.6006 -13.6006 -13.6005 -13.6005 -9.9040 -9.9040 -2.5072 -2.5072 -2.2802 -2.2802 -2.2754 -2.2754 -0.1411 -0.1411 1.0581 1.0581 1.0587 1.0587 1.8677 1.8677 2.4794 2.4794 2.5940 2.5940 2.5970 2.5970 4.1190 4.1190 4.1416 4.1416 k = 0.2222 0.1809 0.1526 ( 5691 PWs) bands (ev): -39.0576 -39.0576 -15.7839 -15.7839 -13.5926 -13.5926 -13.5925 -13.5925 -9.8979 -9.8979 -2.5160 -2.5160 -2.2740 -2.2740 -2.2691 -2.2691 -0.0544 -0.0544 1.0344 1.0344 1.0350 1.0350 1.8401 1.8401 2.4720 2.4720 2.5855 2.5855 2.5884 2.5884 4.1208 4.1208 4.1434 4.1434 k = 0.2143 0.1745 0.1472 ( 5703 PWs) bands (ev): -39.0579 -39.0579 -15.7973 -15.7973 -13.5847 -13.5847 -13.5845 -13.5845 -9.8918 -9.8918 -2.5251 -2.5251 -2.2686 -2.2686 -2.2638 -2.2638 0.0319 0.0319 1.0122 1.0122 1.0129 1.0129 1.8138 1.8138 2.4646 2.4646 2.5772 2.5772 2.5800 2.5800 4.1225 4.1225 4.1452 4.1452 k = 0.2063 0.1680 0.1417 ( 5706 PWs) bands (ev): -39.0581 -39.0581 -15.8105 -15.8105 -13.5768 -13.5768 -13.5766 -13.5766 -9.8855 -9.8855 -2.5343 -2.5343 -2.2641 -2.2641 -2.2592 -2.2592 0.1175 0.1175 0.9916 0.9916 0.9924 0.9924 1.7890 1.7890 2.4574 2.4574 2.5689 2.5689 2.5717 2.5717 4.1242 4.1242 4.1470 4.1470 k = 0.1984 0.1616 0.1363 ( 5700 PWs) bands (ev): -39.0583 -39.0583 -15.8235 -15.8235 -13.5689 -13.5689 -13.5688 -13.5688 -9.8791 -9.8791 -2.5438 -2.5438 -2.2605 -2.2605 -2.2555 -2.2555 0.2020 0.2020 0.9727 0.9727 0.9735 0.9735 1.7658 1.7658 2.4502 2.4502 2.5608 2.5608 2.5634 2.5634 4.1259 4.1259 4.1488 4.1488 k = 0.1905 0.1551 0.1308 ( 5700 PWs) bands (ev): -39.0585 -39.0585 -15.8362 -15.8362 -13.5612 -13.5612 -13.5610 -13.5610 -9.8728 -9.8728 -2.5533 -2.5533 -2.2577 -2.2577 -2.2527 -2.2527 0.2850 0.2850 0.9554 0.9554 0.9562 0.9562 1.7444 1.7444 2.4432 2.4432 2.5528 2.5528 2.5554 2.5554 4.1277 4.1277 4.1505 4.1505 k = 0.1825 0.1486 0.1254 ( 5709 PWs) bands (ev): -39.0588 -39.0588 -15.8487 -15.8487 -13.5536 -13.5536 -13.5534 -13.5534 -9.8664 -9.8664 -2.5630 -2.5630 -2.2557 -2.2557 -2.2507 -2.2507 0.3662 0.3662 0.9397 0.9397 0.9406 0.9406 1.7250 1.7250 2.4363 2.4363 2.5449 2.5449 2.5475 2.5475 4.1294 4.1294 4.1523 4.1523 k = 0.1746 0.1422 0.1199 ( 5727 PWs) bands (ev): -39.0590 -39.0590 -15.8608 -15.8608 -13.5461 -13.5461 -13.5459 -13.5459 -9.8600 -9.8600 -2.5727 -2.5727 -2.2546 -2.2546 -2.2496 -2.2496 0.4452 0.4452 0.9257 0.9257 0.9266 0.9266 1.7078 1.7078 2.4296 2.4296 2.5373 2.5373 2.5398 2.5398 4.1311 4.1311 4.1541 4.1541 k = 0.1667 0.1357 0.1145 ( 5715 PWs) bands (ev): -39.0592 -39.0592 -15.8726 -15.8726 -13.5388 -13.5388 -13.5386 -13.5386 -9.8536 -9.8536 -2.5825 -2.5825 -2.2542 -2.2542 -2.2491 -2.2491 0.5214 0.5214 0.9132 0.9132 0.9141 0.9141 1.6930 1.6930 2.4231 2.4231 2.5298 2.5298 2.5323 2.5323 4.1328 4.1328 4.1558 4.1558 k = 0.1587 0.1292 0.1090 ( 5703 PWs) bands (ev): -39.0594 -39.0594 -15.8840 -15.8840 -13.5316 -13.5316 -13.5315 -13.5315 -9.8473 -9.8473 -2.5921 -2.5921 -2.2545 -2.2545 -2.2494 -2.2494 0.5944 0.5944 0.9021 0.9021 0.9031 0.9031 1.6810 1.6810 2.4167 2.4167 2.5226 2.5226 2.5250 2.5250 4.1345 4.1345 4.1576 4.1576 k = 0.1508 0.1228 0.1036 ( 5703 PWs) bands (ev): -39.0596 -39.0596 -15.8951 -15.8951 -13.5247 -13.5247 -13.5245 -13.5245 -9.8411 -9.8411 -2.6017 -2.6017 -2.2555 -2.2555 -2.2504 -2.2504 0.6636 0.6636 0.8926 0.8926 0.8935 0.8935 1.6721 1.6721 2.4106 2.4106 2.5156 2.5156 2.5179 2.5179 4.1361 4.1361 4.1593 4.1593 k = 0.1429 0.1163 0.0981 ( 5706 PWs) bands (ev): -39.0597 -39.0597 -15.9057 -15.9057 -13.5180 -13.5180 -13.5178 -13.5178 -9.8350 -9.8350 -2.6112 -2.6112 -2.2570 -2.2570 -2.2520 -2.2520 0.7285 0.7285 0.8843 0.8843 0.8853 0.8853 1.6665 1.6665 2.4047 2.4047 2.5089 2.5089 2.5111 2.5111 4.1377 4.1377 4.1609 4.1609 k = 0.1349 0.1099 0.0927 ( 5712 PWs) bands (ev): -39.0599 -39.0599 -15.9159 -15.9159 -13.5115 -13.5115 -13.5113 -13.5113 -9.8291 -9.8291 -2.6205 -2.6205 -2.2591 -2.2591 -2.2541 -2.2541 0.7885 0.7885 0.8774 0.8774 0.8784 0.8784 1.6645 1.6645 2.3990 2.3990 2.5024 2.5024 2.5046 2.5046 4.1392 4.1392 4.1625 4.1625 k = 0.1270 0.1034 0.0872 ( 5712 PWs) bands (ev): -39.0601 -39.0601 -15.9256 -15.9256 -13.5052 -13.5052 -13.5051 -13.5051 -9.8233 -9.8233 -2.6295 -2.6295 -2.2617 -2.2617 -2.2566 -2.2566 0.8428 0.8428 0.8719 0.8719 0.8726 0.8726 1.6665 1.6665 2.3936 2.3936 2.4962 2.4962 2.4983 2.4983 4.1408 4.1408 4.1640 4.1640 k = 0.1190 0.0969 0.0818 ( 5727 PWs) bands (ev): -39.0603 -39.0603 -15.9348 -15.9348 -13.4993 -13.4993 -13.4991 -13.4991 -9.8177 -9.8177 -2.6383 -2.6383 -2.2647 -2.2647 -2.2596 -2.2596 0.8663 0.8663 0.8679 0.8679 0.8925 0.8925 1.6726 1.6726 2.3884 2.3884 2.4903 2.4903 2.4924 2.4924 4.1422 4.1422 4.1655 4.1655 k = 0.1111 0.0905 0.0763 ( 5715 PWs) bands (ev): -39.0604 -39.0604 -15.9436 -15.9436 -13.4936 -13.4936 -13.4935 -13.4935 -9.8123 -9.8123 -2.6468 -2.6468 -2.2679 -2.2679 -2.2628 -2.2628 0.8628 0.8628 0.8641 0.8641 0.9349 0.9349 1.6829 1.6829 2.3836 2.3836 2.4847 2.4847 2.4868 2.4868 4.1436 4.1436 4.1669 4.1669 k = 0.1032 0.0840 0.0709 ( 5727 PWs) bands (ev): -39.0606 -39.0606 -15.9518 -15.9518 -13.4883 -13.4883 -13.4881 -13.4881 -9.8072 -9.8072 -2.6549 -2.6549 -2.2713 -2.2713 -2.2663 -2.2663 0.8600 0.8600 0.8612 0.8612 0.9713 0.9713 1.6970 1.6970 2.3790 2.3790 2.4795 2.4795 2.4815 2.4815 4.1449 4.1449 4.1683 4.1683 k = 0.0952 0.0775 0.0654 ( 5721 PWs) bands (ev): -39.0607 -39.0607 -15.9594 -15.9594 -13.4833 -13.4833 -13.4831 -13.4831 -9.8024 -9.8024 -2.6626 -2.6626 -2.2749 -2.2749 -2.2699 -2.2699 0.8578 0.8578 0.8591 0.8591 1.0018 1.0018 1.7147 1.7147 2.3747 2.3747 2.4745 2.4745 2.4765 2.4765 4.1461 4.1461 4.1696 4.1696 k = 0.0873 0.0711 0.0600 ( 5721 PWs) bands (ev): -39.0608 -39.0608 -15.9666 -15.9666 -13.4786 -13.4786 -13.4784 -13.4784 -9.7978 -9.7978 -2.6698 -2.6698 -2.2786 -2.2786 -2.2735 -2.2735 0.8563 0.8563 0.8576 0.8576 1.0267 1.0267 1.7351 1.7351 2.3707 2.3707 2.4700 2.4700 2.4719 2.4719 4.1473 4.1473 4.1708 4.1708 k = 0.0794 0.0646 0.0545 ( 5715 PWs) bands (ev): -39.0610 -39.0610 -15.9731 -15.9731 -13.4743 -13.4743 -13.4741 -13.4741 -9.7936 -9.7936 -2.6766 -2.6766 -2.2822 -2.2822 -2.2771 -2.2771 0.8553 0.8553 0.8566 0.8566 1.0467 1.0467 1.7576 1.7576 2.3670 2.3670 2.4658 2.4658 2.4677 2.4677 4.1484 4.1484 4.1719 4.1719 k = 0.0714 0.0582 0.0491 ( 5709 PWs) bands (ev): -39.0611 -39.0611 -15.9791 -15.9791 -13.4703 -13.4703 -13.4702 -13.4702 -9.7897 -9.7897 -2.6828 -2.6828 -2.2857 -2.2857 -2.2806 -2.2806 0.8548 0.8548 0.8560 0.8560 1.0624 1.0624 1.7811 1.7811 2.3636 2.3636 2.4619 2.4619 2.4638 2.4638 4.1494 4.1494 4.1729 4.1729 k = 0.0635 0.0517 0.0436 ( 5709 PWs) bands (ev): -39.0612 -39.0612 -15.9844 -15.9844 -13.4667 -13.4667 -13.4666 -13.4666 -9.7862 -9.7862 -2.6885 -2.6885 -2.2891 -2.2891 -2.2840 -2.2840 0.8546 0.8546 0.8558 0.8558 1.0745 1.0745 1.8047 1.8047 2.3606 2.3606 2.4585 2.4585 2.4603 2.4603 4.1503 4.1503 4.1738 4.1738 k = 0.0556 0.0452 0.0382 ( 5721 PWs) bands (ev): -39.0612 -39.0612 -15.9892 -15.9892 -13.4636 -13.4636 -13.4634 -13.4634 -9.7830 -9.7830 -2.6936 -2.6936 -2.2922 -2.2922 -2.2871 -2.2871 0.8546 0.8546 0.8559 0.8559 1.0837 1.0837 1.8275 1.8275 2.3579 2.3579 2.4554 2.4554 2.4572 2.4572 4.1511 4.1511 4.1746 4.1746 k = 0.0476 0.0388 0.0327 ( 5715 PWs) bands (ev): -39.0613 -39.0613 -15.9933 -15.9933 -13.4608 -13.4608 -13.4606 -13.4606 -9.7802 -9.7802 -2.6981 -2.6981 -2.2950 -2.2950 -2.2900 -2.2900 0.8548 0.8548 0.8561 0.8561 1.0907 1.0907 1.8488 1.8488 2.3556 2.3556 2.4527 2.4527 2.4545 2.4545 4.1518 4.1518 4.1754 4.1754 k = 0.0397 0.0323 0.0273 ( 5730 PWs) bands (ev): -39.0614 -39.0614 -15.9969 -15.9969 -13.4584 -13.4584 -13.4583 -13.4583 -9.7779 -9.7779 -2.7019 -2.7019 -2.2975 -2.2975 -2.2924 -2.2924 0.8551 0.8551 0.8564 0.8564 1.0957 1.0957 1.8679 1.8679 2.3536 2.3536 2.4504 2.4504 2.4522 2.4522 4.1524 4.1524 4.1760 4.1760 k = 0.0317 0.0258 0.0218 ( 5754 PWs) bands (ev): -39.0615 -39.0615 -15.9998 -15.9998 -13.4565 -13.4565 -13.4563 -13.4563 -9.7759 -9.7759 -2.7050 -2.7050 -2.2996 -2.2996 -2.2945 -2.2945 0.8554 0.8554 0.8567 0.8567 1.0994 1.0994 1.8842 1.8842 2.3520 2.3520 2.4486 2.4486 2.4503 2.4503 4.1529 4.1529 4.1765 4.1765 k = 0.0238 0.0194 0.0164 ( 5754 PWs) bands (ev): -39.0615 -39.0615 -16.0020 -16.0020 -13.4550 -13.4550 -13.4548 -13.4548 -9.7744 -9.7744 -2.7075 -2.7075 -2.3013 -2.3013 -2.2962 -2.2962 0.8557 0.8557 0.8570 0.8570 1.1020 1.1020 1.8973 1.8973 2.3507 2.3507 2.4471 2.4471 2.4489 2.4489 4.1533 4.1533 4.1769 4.1769 k = 0.0159 0.0129 0.0109 ( 5757 PWs) bands (ev): -39.0615 -39.0615 -16.0036 -16.0036 -13.4539 -13.4539 -13.4537 -13.4537 -9.7733 -9.7733 -2.7093 -2.7093 -2.3025 -2.3025 -2.2974 -2.2974 0.8560 0.8560 0.8573 0.8573 1.1036 1.1036 1.9069 1.9069 2.3498 2.3498 2.4461 2.4461 2.4478 2.4478 4.1536 4.1536 4.1772 4.1772 k = 0.0079 0.0065 0.0055 ( 5763 PWs) bands (ev): -39.0616 -39.0616 -16.0046 -16.0046 -13.4532 -13.4532 -13.4531 -13.4531 -9.7726 -9.7726 -2.7104 -2.7104 -2.3032 -2.3032 -2.2982 -2.2982 0.8562 0.8562 0.8574 0.8574 1.1046 1.1046 1.9128 1.9128 2.3493 2.3493 2.4454 2.4454 2.4472 2.4472 4.1537 4.1537 4.1773 4.1773 k = 0.0000 0.0000 0.0000 ( 5769 PWs) bands (ev): -39.0616 -39.0616 -16.0049 -16.0049 -13.4530 -13.4530 -13.4529 -13.4529 -9.7724 -9.7724 -2.7107 -2.7107 -2.3035 -2.3035 -2.2984 -2.2984 0.8562 0.8562 0.8575 0.8575 1.1049 1.1049 1.9147 1.9147 2.3491 2.3491 2.4452 2.4452 2.4470 2.4470 4.1538 4.1538 4.1774 4.1774 k = 0.0000 0.0000 0.0000 ( 5769 PWs) bands (ev): -39.0616 -39.0616 -16.0049 -16.0049 -13.4530 -13.4530 -13.4529 -13.4529 -9.7724 -9.7724 -2.7107 -2.7107 -2.3035 -2.3035 -2.2984 -2.2984 0.8562 0.8562 0.8575 0.8575 1.1049 1.1049 1.9147 1.9147 2.3491 2.3491 2.4452 2.4452 2.4470 2.4470 4.1538 4.1538 4.1774 4.1774 k = 0.0074-0.0015-0.0089 ( 5759 PWs) bands (ev): -39.0616 -39.0616 -16.0042 -16.0042 -13.4540 -13.4540 -13.4530 -13.4530 -9.7732 -9.7732 -2.7090 -2.7090 -2.3017 -2.3017 -2.2965 -2.2965 0.8561 0.8561 0.8574 0.8574 1.1048 1.1048 1.9148 1.9148 2.3478 2.3478 2.4438 2.4438 2.4461 2.4461 4.1521 4.1521 4.1758 4.1758 k = 0.0148-0.0031-0.0179 ( 5755 PWs) bands (ev): -39.0615 -39.0615 -16.0021 -16.0021 -13.4570 -13.4570 -13.4534 -13.4534 -9.7755 -9.7755 -2.7038 -2.7038 -2.2968 -2.2968 -2.2904 -2.2904 0.8554 0.8554 0.8574 0.8574 1.1044 1.1044 1.9149 1.9149 2.3440 2.3440 2.4385 2.4385 2.4445 2.4445 4.1466 4.1466 4.1716 4.1716 k = 0.0221-0.0046-0.0268 ( 5749 PWs) bands (ev): -39.0615 -39.0615 -15.9985 -15.9985 -13.4621 -13.4621 -13.4540 -13.4540 -9.7793 -9.7793 -2.6951 -2.6951 -2.2896 -2.2896 -2.2793 -2.2793 0.8541 0.8541 0.8576 0.8576 1.1039 1.1039 1.9150 1.9150 2.3370 2.3370 2.4300 2.4300 2.4421 2.4421 4.1359 4.1359 4.1661 4.1661 k = 0.0295-0.0061-0.0357 ( 5737 PWs) bands (ev): -39.0615 -39.0615 -15.9936 -15.9936 -13.4692 -13.4692 -13.4549 -13.4549 -9.7846 -9.7846 -2.6831 -2.6831 -2.2798 -2.2798 -2.2633 -2.2633 0.8521 0.8521 0.8579 0.8579 1.1033 1.1033 1.9153 1.9153 2.3258 2.3258 2.4196 2.4196 2.4390 2.4390 4.1192 4.1192 4.1602 4.1602 k = 0.0369-0.0076-0.0447 ( 5731 PWs) bands (ev): -39.0614 -39.0614 -15.9872 -15.9872 -13.4782 -13.4782 -13.4560 -13.4560 -9.7913 -9.7913 -2.6678 -2.6678 -2.2674 -2.2674 -2.2428 -2.2428 0.8496 0.8496 0.8581 0.8581 1.1025 1.1025 1.9157 1.9157 2.3092 2.3092 2.4084 2.4084 2.4349 2.4349 4.0966 4.0966 4.1539 4.1539 k = 0.0443-0.0092-0.0536 ( 5727 PWs) bands (ev): -39.0614 -39.0614 -15.9795 -15.9795 -13.4891 -13.4891 -13.4574 -13.4574 -9.7994 -9.7994 -2.6494 -2.6494 -2.2522 -2.2522 -2.2177 -2.2177 0.8464 0.8464 0.8581 0.8581 1.1019 1.1019 1.9163 1.9163 2.2862 2.2862 2.3977 2.3977 2.4301 2.4301 4.0684 4.0684 4.1469 4.1469 k = 0.0516-0.0107-0.0625 ( 5715 PWs) bands (ev): -39.0614 -39.0614 -15.9703 -15.9703 -13.5019 -13.5019 -13.4591 -13.4591 -9.8088 -9.8088 -2.6281 -2.6281 -2.2340 -2.2340 -2.1883 -2.1883 0.8428 0.8428 0.8578 0.8578 1.1014 1.1014 1.9171 1.9171 2.2564 2.2564 2.3880 2.3880 2.4244 2.4244 4.0350 4.0350 4.1390 4.1390 k = 0.0590-0.0122-0.0714 ( 5711 PWs) bands (ev): -39.0613 -39.0613 -15.9597 -15.9597 -13.5166 -13.5166 -13.4610 -13.4610 -9.8194 -9.8194 -2.6041 -2.6041 -2.2127 -2.2127 -2.1546 -2.1546 0.8386 0.8386 0.8569 0.8569 1.1013 1.1013 1.9181 1.9181 2.2201 2.2201 2.3793 2.3793 2.4179 2.4179 3.9965 3.9965 4.1301 4.1301 k = 0.0664-0.0137-0.0804 ( 5709 PWs) bands (ev): -39.0612 -39.0612 -15.9478 -15.9478 -13.5330 -13.5330 -13.4633 -13.4633 -9.8311 -9.8311 -2.5775 -2.5775 -2.1883 -2.1883 -2.1169 -2.1169 0.8340 0.8340 0.8553 0.8553 1.1017 1.1017 1.9194 1.9194 2.1776 2.1776 2.3713 2.3713 2.4106 2.4106 3.9533 3.9533 4.1202 4.1202 k = 0.0738-0.0153-0.0893 ( 5711 PWs) bands (ev): -39.0612 -39.0612 -15.9345 -15.9345 -13.5512 -13.5512 -13.4659 -13.4659 -9.8439 -9.8439 -2.5486 -2.5486 -2.1605 -2.1605 -2.0754 -2.0754 0.8288 0.8288 0.8528 0.8528 1.1028 1.1028 1.9211 1.9211 2.1296 2.1296 2.3635 2.3635 2.4026 2.4026 3.9055 3.9055 4.1091 4.1091 k = 0.0812-0.0168-0.0982 ( 5709 PWs) bands (ev): -39.0611 -39.0611 -15.9199 -15.9199 -13.5710 -13.5710 -13.4688 -13.4688 -9.8576 -9.8576 -2.5177 -2.5177 -2.1292 -2.1292 -2.0301 -2.0301 0.8233 0.8233 0.8491 0.8491 1.1047 1.1047 1.9232 1.9232 2.0764 2.0764 2.3559 2.3559 2.3940 2.3940 3.8533 3.8533 4.0970 4.0970 k = 0.0885-0.0183-0.1072 ( 5715 PWs) bands (ev): -39.0610 -39.0610 -15.9039 -15.9039 -13.5924 -13.5924 -13.4720 -13.4720 -9.8722 -9.8722 -2.4850 -2.4850 -2.0944 -2.0944 -1.9812 -1.9812 0.8173 0.8173 0.8441 0.8441 1.1078 1.1078 1.9257 1.9257 2.0185 2.0185 2.3482 2.3482 2.3847 2.3847 3.7970 3.7970 4.0837 4.0837 k = 0.0959-0.0198-0.1161 ( 5709 PWs) bands (ev): -39.0609 -39.0609 -15.8865 -15.8865 -13.6152 -13.6152 -13.4756 -13.4756 -9.8875 -9.8875 -2.4507 -2.4507 -2.0559 -2.0559 -1.9290 -1.9290 0.8109 0.8109 0.8376 0.8376 1.1121 1.1121 1.9287 1.9287 1.9562 1.9562 2.3404 2.3404 2.3748 2.3748 3.7367 3.7367 4.0692 4.0692 k = 0.1033-0.0214-0.1250 ( 5711 PWs) bands (ev): -39.0608 -39.0608 -15.8679 -15.8679 -13.6395 -13.6395 -13.4795 -13.4795 -9.9034 -9.9034 -2.4151 -2.4151 -2.0137 -2.0137 -1.8737 -1.8737 0.8042 0.8042 0.8294 0.8294 1.1176 1.1176 1.8896 1.8896 1.9324 1.9324 2.3323 2.3323 2.3645 2.3645 3.6728 3.6728 4.0536 4.0536 k = 0.1107-0.0229-0.1340 ( 5711 PWs) bands (ev): -39.0608 -39.0608 -15.8480 -15.8480 -13.6651 -13.6651 -13.4838 -13.4838 -9.9198 -9.9198 -2.3784 -2.3784 -1.9677 -1.9677 -1.8156 -1.8156 0.7972 0.7972 0.8196 0.8196 1.1246 1.1246 1.8193 1.8193 1.9365 1.9365 2.3240 2.3240 2.3536 2.3536 3.6055 3.6055 4.0368 4.0368 k = 0.1180-0.0244-0.1429 ( 5715 PWs) bands (ev): -39.0607 -39.0607 -15.8268 -15.8268 -13.6920 -13.6920 -13.4885 -13.4885 -9.9366 -9.9366 -2.3407 -2.3407 -1.9181 -1.9181 -1.7547 -1.7547 0.7899 0.7899 0.8082 0.8082 1.1329 1.1329 1.7455 1.7455 1.9411 1.9411 2.3153 2.3153 2.3424 2.3424 3.5351 3.5351 4.0188 4.0188 k = 0.1254-0.0260-0.1518 ( 5721 PWs) bands (ev): -39.0606 -39.0606 -15.8044 -15.8044 -13.7200 -13.7200 -13.4937 -13.4937 -9.9537 -9.9537 -2.3020 -2.3020 -1.8648 -1.8648 -1.6915 -1.6915 0.7824 0.7824 0.7952 0.7952 1.1426 1.1426 1.6685 1.6685 1.9464 1.9464 2.3063 2.3063 2.3309 2.3309 3.4620 3.4620 3.9997 3.9997 k = 0.1328-0.0275-0.1608 ( 5731 PWs) bands (ev): -39.0605 -39.0605 -15.7807 -15.7807 -13.7491 -13.7491 -13.4992 -13.4992 -9.9710 -9.9710 -2.2625 -2.2625 -1.8080 -1.8080 -1.6262 -1.6262 0.7746 0.7746 0.7807 0.7807 1.1535 1.1535 1.5885 1.5885 1.9523 1.9523 2.2967 2.2967 2.3192 2.3192 3.3864 3.3864 3.9793 3.9793 k = 0.1402-0.0290-0.1697 ( 5734 PWs) bands (ev): -39.0603 -39.0603 -15.7559 -15.7559 -13.7791 -13.7791 -13.5051 -13.5051 -9.9883 -9.9883 -2.2222 -2.2222 -1.7480 -1.7480 -1.5590 -1.5590 0.7641 0.7641 0.7675 0.7675 1.1657 1.1657 1.5058 1.5058 1.9588 1.9588 2.2865 2.2865 2.3073 2.3073 3.3089 3.3089 3.9577 3.9577 k = 0.1476-0.0305-0.1786 ( 5734 PWs) bands (ev): -39.0602 -39.0602 -15.7299 -15.7299 -13.8100 -13.8100 -13.5115 -13.5115 -10.0057 -10.0057 -2.1810 -2.1810 -1.6849 -1.6849 -1.4902 -1.4902 0.7471 0.7471 0.7593 0.7593 1.1790 1.1790 1.4208 1.4208 1.9659 1.9659 2.2755 2.2755 2.2953 2.2953 3.2300 3.2300 3.9350 3.9350 k = 0.1549-0.0321-0.1876 ( 5732 PWs) bands (ev): -39.0601 -39.0601 -15.7027 -15.7027 -13.8418 -13.8418 -13.5184 -13.5184 -10.0229 -10.0229 -2.1390 -2.1390 -1.6191 -1.6191 -1.4201 -1.4201 0.7287 0.7287 0.7514 0.7514 1.1931 1.1931 1.3339 1.3339 1.9735 1.9735 2.2633 2.2633 2.2834 2.2834 3.1503 3.1503 3.9110 3.9110 k = 0.1623-0.0336-0.1965 ( 5730 PWs) bands (ev): -39.0600 -39.0600 -15.6745 -15.6745 -13.8742 -13.8742 -13.5256 -13.5256 -10.0399 -10.0399 -2.0961 -2.0961 -1.5507 -1.5507 -1.3492 -1.3492 0.7092 0.7092 0.7436 0.7436 1.2065 1.2065 1.2469 1.2469 1.9818 1.9818 2.2494 2.2494 2.2716 2.2716 3.0706 3.0706 3.8858 3.8858 k = 0.1697-0.0351-0.2054 ( 5722 PWs) bands (ev): -39.0598 -39.0598 -15.6451 -15.6451 -13.9072 -13.9072 -13.5333 -13.5333 -10.0567 -10.0567 -2.0523 -2.0523 -1.4801 -1.4801 -1.2775 -1.2775 0.6889 0.6889 0.7359 0.7359 1.1519 1.1519 1.2271 1.2271 1.9905 1.9905 2.2334 2.2334 2.2600 2.2600 2.9918 2.9918 3.8594 3.8594 k = 0.1771-0.0366-0.2143 ( 5710 PWs) bands (ev): -39.0597 -39.0597 -15.6148 -15.6148 -13.9408 -13.9408 -13.5414 -13.5414 -10.0731 -10.0731 -2.0075 -2.0075 -1.4077 -1.4077 -1.2057 -1.2057 0.6679 0.6679 0.7284 0.7284 1.0608 1.0608 1.2434 1.2434 1.9997 1.9997 2.2140 2.2140 2.2488 2.2488 2.9154 2.9154 3.8318 3.8318 k = 0.1844-0.0382-0.2233 ( 5710 PWs) bands (ev): -39.0596 -39.0596 -15.5834 -15.5834 -13.9747 -13.9747 -13.5500 -13.5500 -10.0892 -10.0892 -1.9617 -1.9617 -1.3337 -1.3337 -1.1338 -1.1338 0.6463 0.6463 0.7211 0.7211 0.9681 0.9681 1.2610 1.2610 2.0093 2.0093 2.1901 2.1901 2.2381 2.2381 2.8430 2.8430 3.8029 3.8029 k = 0.1918-0.0397-0.2322 ( 5706 PWs) bands (ev): -39.0594 -39.0594 -15.5511 -15.5511 -14.0091 -14.0091 -13.5590 -13.5590 -10.1048 -10.1048 -1.9150 -1.9150 -1.2585 -1.2585 -1.0625 -1.0625 0.6244 0.6244 0.7142 0.7142 0.8746 0.8746 1.2795 1.2795 2.0192 2.0192 2.1601 2.1601 2.2281 2.2281 2.7765 2.7765 3.7728 3.7728 k = 0.1992-0.0412-0.2411 ( 5706 PWs) bands (ev): -39.0593 -39.0593 -15.5178 -15.5178 -14.0436 -14.0436 -13.5684 -13.5684 -10.1199 -10.1199 -1.8671 -1.8671 -1.1824 -1.1824 -0.9920 -0.9920 0.6024 0.6024 0.7074 0.7074 0.7808 0.7808 1.2985 1.2985 2.0293 2.0293 2.1222 2.1222 2.2189 2.2189 2.7180 2.7180 3.7416 3.7416 k = 0.2066-0.0427-0.2501 ( 5716 PWs) bands (ev): -39.0591 -39.0591 -15.4837 -15.4837 -14.0784 -14.0784 -13.5782 -13.5782 -10.1344 -10.1344 -1.8183 -1.8183 -1.1059 -1.1059 -0.9227 -0.9227 0.5804 0.5804 0.6842 0.6842 0.7039 0.7039 1.3181 1.3181 2.0389 2.0389 2.0755 2.0755 2.2106 2.2106 2.6695 2.6695 3.7091 3.7091 k = 0.2140-0.0443-0.2590 ( 5716 PWs) bands (ev): -39.0590 -39.0590 -15.4488 -15.4488 -14.1133 -14.1133 -13.5884 -13.5884 -10.1485 -10.1485 -1.7684 -1.7684 -1.0294 -1.0294 -0.8551 -0.8551 0.5585 0.5585 0.5920 0.5920 0.6969 0.6969 1.3381 1.3381 2.0148 2.0148 2.0523 2.0523 2.2036 2.2036 2.6319 2.6319 3.6754 3.6754 k = 0.2213-0.0458-0.2679 ( 5708 PWs) bands (ev): -39.0588 -39.0588 -15.4131 -15.4131 -14.1481 -14.1481 -13.5989 -13.5989 -10.1619 -10.1619 -1.7174 -1.7174 -0.9533 -0.9533 -0.7896 -0.7896 0.4983 0.4983 0.5376 0.5376 0.6920 0.6920 1.3585 1.3585 1.9481 1.9481 2.0617 2.0617 2.1980 2.1980 2.6053 2.6053 3.6406 3.6406 k = 0.2287-0.0473-0.2769 ( 5716 PWs) bands (ev): -39.0587 -39.0587 -15.3767 -15.3767 -14.1830 -14.1830 -13.6098 -13.6098 -10.1748 -10.1748 -1.6654 -1.6654 -0.8780 -0.8780 -0.7266 -0.7266 0.4058 0.4058 0.5171 0.5171 0.6879 0.6879 1.3792 1.3792 1.8721 1.8721 2.0717 2.0717 2.1941 2.1941 2.5889 2.5889 3.6046 3.6046 k = 0.2361-0.0488-0.2858 ( 5712 PWs) bands (ev): -39.0585 -39.0585 -15.3396 -15.3396 -14.2177 -14.2177 -13.6210 -13.6210 -10.1871 -10.1871 -1.6124 -1.6124 -0.8041 -0.8041 -0.6668 -0.6668 0.3145 0.3145 0.4977 0.4977 0.6846 0.6846 1.4002 1.4002 1.7888 1.7888 2.0813 2.0813 2.1921 2.1921 2.5813 2.5813 3.5675 3.5675 k = 0.2435-0.0504-0.2947 ( 5710 PWs) bands (ev): -39.0584 -39.0584 -15.3020 -15.3020 -14.2521 -14.2521 -13.6324 -13.6324 -10.1988 -10.1988 -1.5584 -1.5584 -0.7322 -0.7322 -0.6107 -0.6107 0.2250 0.2250 0.4798 0.4798 0.6822 0.6822 1.4213 1.4213 1.7001 1.7001 2.0905 2.0905 2.1923 2.1923 2.5812 2.5812 3.5293 3.5293 k = 0.2508-0.0519-0.3037 ( 5712 PWs) bands (ev): -39.0582 -39.0582 -15.2638 -15.2638 -14.2864 -14.2864 -13.6441 -13.6441 -10.2100 -10.2100 -1.5034 -1.5034 -0.6629 -0.6629 -0.5591 -0.5591 0.1380 0.1380 0.4636 0.4636 0.6807 0.6807 1.4425 1.4425 1.6073 1.6073 2.0990 2.0990 2.1948 2.1948 2.5877 2.5877 3.4901 3.4901 k = 0.2582-0.0534-0.3126 ( 5710 PWs) bands (ev): -39.0581 -39.0581 -15.2252 -15.2252 -14.3202 -14.3202 -13.6560 -13.6560 -10.2206 -10.2206 -1.4475 -1.4475 -0.5968 -0.5968 -0.5131 -0.5131 0.0544 0.0544 0.4498 0.4498 0.6802 0.6802 1.4635 1.4635 1.5119 1.5119 2.1070 2.1070 2.1995 2.1995 2.5999 2.5999 3.4498 3.4498 k = 0.2656-0.0550-0.3215 ( 5708 PWs) bands (ev): -39.0580 -39.0580 -15.1862 -15.1862 -14.3537 -14.3537 -13.6680 -13.6680 -10.2306 -10.2306 -1.3907 -1.3907 -0.5347 -0.5347 -0.4744 -0.4744 -0.0238 -0.0238 0.4387 0.4387 0.6806 0.6806 1.4128 1.4128 1.4859 1.4859 2.1147 2.1147 2.2065 2.2065 2.6172 2.6172 3.4086 3.4086 k = 0.2730-0.0565-0.3304 ( 5708 PWs) bands (ev): -39.0578 -39.0578 -15.1469 -15.1469 -14.3867 -14.3867 -13.6802 -13.6802 -10.2402 -10.2402 -1.3330 -1.3330 -0.4774 -0.4774 -0.4464 -0.4464 -0.0932 -0.0932 0.4309 0.4309 0.6818 0.6818 1.3136 1.3136 1.5072 1.5072 2.1222 2.1222 2.2153 2.2153 2.6392 2.6392 3.3666 3.3666 k = 0.2804-0.0580-0.3394 ( 5716 PWs) bands (ev): -39.0577 -39.0577 -15.1074 -15.1074 -14.4192 -14.4192 -13.6924 -13.6924 -10.2493 -10.2493 -1.2746 -1.2746 -0.4356 -0.4356 -0.4252 -0.4252 -0.1478 -0.1478 0.4269 0.4269 0.6839 0.6839 1.2132 1.2132 1.5286 1.5286 2.1301 2.1301 2.2257 2.2257 2.6653 2.6653 3.3237 3.3237 k = 0.2877-0.0595-0.3483 ( 5710 PWs) bands (ev): -39.0575 -39.0575 -15.0678 -15.0678 -14.4511 -14.4511 -13.7046 -13.7046 -10.2579 -10.2579 -1.2155 -1.2155 -0.4485 -0.4485 -0.3798 -0.3798 -0.1797 -0.1797 0.4271 0.4271 0.6866 0.6866 1.1125 1.1125 1.5501 1.5501 2.1384 2.1384 2.2374 2.2374 2.6954 2.6954 3.2803 3.2803 k = 0.2951-0.0611-0.3572 ( 5706 PWs) bands (ev): -39.0574 -39.0574 -15.0281 -15.0281 -14.4824 -14.4824 -13.7168 -13.7168 -10.2661 -10.2661 -1.1557 -1.1557 -0.4865 -0.4865 -0.3408 -0.3408 -0.1882 -0.1882 0.4320 0.4320 0.6897 0.6897 1.0119 1.0119 1.5715 1.5715 2.1472 2.1472 2.2502 2.2502 2.7291 2.7291 3.2363 3.2363 k = 0.3025-0.0626-0.3662 ( 5712 PWs) bands (ev): -39.0572 -39.0572 -14.9885 -14.9885 -14.5130 -14.5130 -13.7289 -13.7289 -10.2740 -10.2740 -1.0954 -1.0954 -0.5403 -0.5403 -0.3088 -0.3088 -0.1821 -0.1821 0.4416 0.4416 0.6925 0.6925 0.9123 0.9123 1.5930 1.5930 2.1566 2.1566 2.2641 2.2641 2.7662 2.7662 3.1919 3.1919 k = 0.3099-0.0641-0.3751 ( 5712 PWs) bands (ev): -39.0571 -39.0571 -14.9491 -14.9491 -14.5428 -14.5428 -13.7408 -13.7408 -10.2815 -10.2815 -1.0348 -1.0348 -0.6013 -0.6013 -0.2837 -0.2837 -0.1697 -0.1697 0.4556 0.4556 0.6927 0.6927 0.8163 0.8163 1.6145 1.6145 2.1662 2.1662 2.2791 2.2791 2.8062 2.8062 3.1474 3.1474 k = 0.3172-0.0656-0.3840 ( 5710 PWs) bands (ev): -39.0570 -39.0570 -14.9099 -14.9099 -14.5719 -14.5719 -13.7526 -13.7526 -10.2887 -10.2887 -0.9739 -0.9739 -0.6643 -0.6643 -0.2650 -0.2650 -0.1556 -0.1556 0.4735 0.4735 0.6723 0.6723 0.7417 0.7417 1.6361 1.6361 2.1758 2.1758 2.2953 2.2953 2.8490 2.8490 3.1031 3.1031 k = 0.3246-0.0672-0.3930 ( 5708 PWs) bands (ev): -39.0568 -39.0568 -14.8711 -14.8711 -14.6002 -14.6002 -13.7641 -13.7641 -10.2957 -10.2957 -0.9131 -0.9131 -0.7268 -0.7268 -0.2519 -0.2519 -0.1420 -0.1420 0.4945 0.4945 0.5958 0.5958 0.7245 0.7245 1.6576 1.6576 2.1848 2.1848 2.3126 2.3126 2.8942 2.8942 3.0592 3.0592 k = 0.3320-0.0687-0.4019 ( 5712 PWs) bands (ev): -39.0567 -39.0567 -14.8328 -14.8328 -14.6276 -14.6276 -13.7754 -13.7754 -10.3024 -10.3024 -0.8530 -0.8530 -0.7869 -0.7869 -0.2436 -0.2436 -0.1296 -0.1296 0.5000 0.5000 0.5199 0.5199 0.7256 0.7256 1.6791 1.6791 2.1926 2.1926 2.3314 2.3314 2.9413 2.9413 3.0162 3.0162 k = 0.3394-0.0702-0.4108 ( 5706 PWs) bands (ev): -39.0566 -39.0566 -14.7951 -14.7951 -14.6540 -14.6540 -13.7862 -13.7862 -10.3090 -10.3090 -0.8484 -0.8484 -0.7896 -0.7896 -0.2390 -0.2390 -0.1189 -0.1189 0.4059 0.4059 0.5434 0.5434 0.7294 0.7294 1.7006 1.7006 2.1986 2.1986 2.3515 2.3515 2.9746 2.9746 2.9902 2.9902 k = 0.3468-0.0717-0.4198 ( 5702 PWs) bands (ev): -39.0565 -39.0565 -14.7581 -14.7581 -14.6796 -14.6796 -13.7967 -13.7967 -10.3153 -10.3153 -0.9030 -0.9030 -0.7310 -0.7310 -0.2368 -0.2368 -0.1100 -0.1100 0.3112 0.3112 0.5688 0.5688 0.7340 0.7340 1.7219 1.7219 2.2021 2.2021 2.3728 2.3728 2.9351 2.9351 3.0402 3.0402 k = 0.3541-0.0733-0.4287 ( 5702 PWs) bands (ev): -39.0563 -39.0563 -14.7220 -14.7220 -14.7042 -14.7042 -13.8066 -13.8066 -10.3215 -10.3215 -0.9552 -0.9552 -0.6729 -0.6729 -0.2360 -0.2360 -0.1030 -0.1030 0.2179 0.2179 0.5944 0.5944 0.7385 0.7385 1.7431 1.7431 2.2024 2.2024 2.3951 2.3951 2.8984 2.8984 3.0911 3.0911 k = 0.3615-0.0748-0.4376 ( 5706 PWs) bands (ev): -39.0562 -39.0562 -14.7277 -14.7277 -14.6869 -14.6869 -13.8161 -13.8161 -10.3275 -10.3275 -1.0039 -1.0039 -0.6169 -0.6169 -0.2352 -0.2352 -0.0980 -0.0980 0.1268 0.1268 0.6196 0.6196 0.7430 0.7430 1.7640 1.7640 2.1988 2.1988 2.4178 2.4178 2.8655 2.8655 3.1424 3.1424 k = 0.3689-0.0763-0.4465 ( 5704 PWs) bands (ev): -39.0561 -39.0561 -14.7502 -14.7502 -14.6530 -14.6530 -13.8249 -13.8249 -10.3335 -10.3335 -1.0489 -1.0489 -0.5643 -0.5643 -0.2327 -0.2327 -0.0963 -0.0963 0.0393 0.0393 0.6440 0.6440 0.7471 0.7471 1.7846 1.7846 2.1907 2.1907 2.4403 2.4403 2.8374 2.8374 3.1938 3.1938 k = 0.3763-0.0779-0.4555 ( 5702 PWs) bands (ev): -39.0560 -39.0560 -14.7717 -14.7717 -14.6203 -14.6203 -13.8331 -13.8331 -10.3392 -10.3392 -1.0899 -1.0899 -0.5169 -0.5169 -0.2266 -0.2266 -0.1055 -0.1055 -0.0366 -0.0366 0.6676 0.6676 0.7509 0.7509 1.8047 1.8047 2.1776 2.1776 2.4618 2.4618 2.8153 2.8153 3.2449 3.2449 k = 0.3836-0.0794-0.4644 ( 5700 PWs) bands (ev): -39.0559 -39.0559 -14.7920 -14.7920 -14.5890 -14.5890 -13.8407 -13.8407 -10.3449 -10.3449 -1.1269 -1.1269 -0.4771 -0.4771 -0.2143 -0.2143 -0.1575 -0.1575 -0.0684 -0.0684 0.6903 0.6903 0.7543 0.7543 1.8242 1.8242 2.1591 2.1591 2.4815 2.4815 2.8000 2.8000 3.2953 3.2953 k = 0.3910-0.0809-0.4733 ( 5706 PWs) bands (ev): -39.0558 -39.0558 -14.8112 -14.8112 -14.5592 -14.5592 -13.8475 -13.8475 -10.3504 -10.3504 -1.1598 -1.1598 -0.4470 -0.4470 -0.2354 -0.2354 -0.1935 -0.1935 -0.0731 -0.0731 0.7121 0.7121 0.7574 0.7574 1.8430 1.8430 2.1352 2.1352 2.4984 2.4984 2.7922 2.7922 3.3446 3.3446 k = 0.3984-0.0824-0.4823 ( 5704 PWs) bands (ev): -39.0557 -39.0557 -14.8293 -14.8293 -14.5311 -14.5311 -13.8536 -13.8536 -10.3558 -10.3558 -1.1884 -1.1884 -0.4273 -0.4273 -0.3152 -0.3152 -0.1640 -0.1640 -0.0739 -0.0739 0.7332 0.7332 0.7600 0.7600 1.8611 1.8611 2.1060 2.1060 2.5123 2.5123 2.7918 2.7918 3.3924 3.3924 k = 0.4058-0.0840-0.4912 ( 5700 PWs) bands (ev): -39.0557 -39.0557 -14.8462 -14.8462 -14.5048 -14.5048 -13.8590 -13.8590 -10.3610 -10.3610 -1.2126 -1.2126 -0.4166 -0.4166 -0.3935 -0.3935 -0.1270 -0.1270 -0.0742 -0.0742 0.7539 0.7539 0.7623 0.7623 1.8782 1.8782 2.0720 2.0720 2.5232 2.5232 2.7982 2.7982 3.4384 3.4384 k = 0.4132-0.0855-0.5001 ( 5702 PWs) bands (ev): -39.0556 -39.0556 -14.8618 -14.8618 -14.4803 -14.4803 -13.8636 -13.8636 -10.3659 -10.3659 -1.2324 -1.2324 -0.4703 -0.4703 -0.4117 -0.4117 -0.0855 -0.0855 -0.0743 -0.0743 0.7642 0.7642 0.7744 0.7744 1.8943 1.8943 2.0340 2.0340 2.5314 2.5314 2.8100 2.8100 3.4823 3.4823 k = 0.4205-0.0870-0.5091 ( 5704 PWs) bands (ev): -39.0555 -39.0555 -14.8763 -14.8763 -14.4577 -14.4577 -13.8674 -13.8674 -10.3707 -10.3707 -1.2477 -1.2477 -0.5439 -0.5439 -0.4112 -0.4112 -0.0749 -0.0749 -0.0418 -0.0418 0.7659 0.7659 0.7949 0.7949 1.9092 1.9092 1.9930 1.9930 2.5376 2.5376 2.8257 2.8257 3.5238 3.5238 k = 0.4279-0.0885-0.5180 ( 5704 PWs) bands (ev): -39.0554 -39.0554 -14.8896 -14.8896 -14.4372 -14.4372 -13.8705 -13.8705 -10.3752 -10.3752 -1.2586 -1.2586 -0.6148 -0.6148 -0.4131 -0.4131 -0.0754 -0.0754 0.0018 0.0018 0.7672 0.7672 0.8157 0.8157 1.9221 1.9221 1.9505 1.9505 2.5425 2.5425 2.8437 2.8437 3.5625 3.5625 k = 0.5721 0.3186-0.1745 ( 5704 PWs) bands (ev): -39.0554 -39.0554 -14.8895 -14.8895 -14.4373 -14.4373 -13.8705 -13.8705 -10.3752 -10.3752 -1.2586 -1.2586 -0.6148 -0.6148 -0.4131 -0.4131 -0.0753 -0.0753 0.0017 0.0017 0.7673 0.7673 0.8157 0.8157 1.9222 1.9222 1.9505 1.9505 2.5424 2.5424 2.8437 2.8437 3.5625 3.5625 k = 0.5649 0.3275-0.1745 ( 5708 PWs) bands (ev): -39.0554 -39.0554 -14.9013 -14.9013 -14.4192 -14.4192 -13.8729 -13.8729 -10.3793 -10.3793 -1.2649 -1.2649 -0.6812 -0.6812 -0.4162 -0.4162 -0.0759 -0.0759 0.0429 0.0429 0.7684 0.7684 0.8364 0.8364 1.9034 1.9034 1.9379 1.9379 2.5462 2.5462 2.8623 2.8623 3.5975 3.5975 k = 0.5577 0.3363-0.1745 ( 5706 PWs) bands (ev): -39.0553 -39.0553 -14.9118 -14.9118 -14.4031 -14.4031 -13.8747 -13.8747 -10.3832 -10.3832 -1.2669 -1.2669 -0.7446 -0.7446 -0.4199 -0.4199 -0.0766 -0.0766 0.0817 0.0817 0.7693 0.7693 0.8577 0.8577 1.8597 1.8597 1.9484 1.9484 2.5494 2.5494 2.8808 2.8808 3.6294 3.6294 k = 0.5505 0.3452-0.1745 ( 5698 PWs) bands (ev): -39.0553 -39.0553 -14.9212 -14.9212 -14.3890 -14.3890 -13.8759 -13.8759 -10.3866 -10.3866 -1.2646 -1.2646 -0.8049 -0.8049 -0.4237 -0.4237 -0.0773 -0.0773 0.1173 0.1173 0.7700 0.7700 0.8795 0.8795 1.8159 1.8159 1.9583 1.9583 2.5522 2.5522 2.8985 2.8985 3.6581 3.6581 k = 0.5433 0.3540-0.1745 ( 5698 PWs) bands (ev): -39.0552 -39.0552 -14.9293 -14.9293 -14.3769 -14.3769 -13.8768 -13.8768 -10.3897 -10.3897 -1.2580 -1.2580 -0.8619 -0.8619 -0.4274 -0.4274 -0.0780 -0.0780 0.1492 0.1492 0.7706 0.7706 0.9014 0.9014 1.7734 1.7734 1.9671 1.9671 2.5545 2.5545 2.9149 2.9149 3.6833 3.6833 k = 0.5360 0.3629-0.1745 ( 5700 PWs) bands (ev): -39.0552 -39.0552 -14.9361 -14.9361 -14.3668 -14.3668 -13.8773 -13.8773 -10.3924 -10.3924 -1.2471 -1.2471 -0.9156 -0.9156 -0.4308 -0.4308 -0.0786 -0.0786 0.1767 0.1767 0.7710 0.7710 0.9231 0.9231 1.7334 1.7334 1.9746 1.9746 2.5565 2.5565 2.9294 2.9294 3.7049 3.7049 k = 0.5288 0.3717-0.1745 ( 5702 PWs) bands (ev): -39.0552 -39.0552 -14.9418 -14.9418 -14.3586 -14.3586 -13.8775 -13.8775 -10.3946 -10.3946 -1.2320 -1.2320 -0.9658 -0.9658 -0.4337 -0.4337 -0.0792 -0.0792 0.1995 0.1995 0.7713 0.7713 0.9437 0.9437 1.6974 1.6974 1.9808 1.9808 2.5581 2.5581 2.9417 2.9417 3.7227 3.7227 k = 0.5216 0.3806-0.1745 ( 5706 PWs) bands (ev): -39.0552 -39.0552 -14.9462 -14.9462 -14.3523 -14.3523 -13.8776 -13.8776 -10.3964 -10.3964 -1.2128 -1.2128 -1.0124 -1.0124 -0.4361 -0.4361 -0.0796 -0.0796 0.2175 0.2175 0.7716 0.7716 0.9619 0.9619 1.6668 1.6668 1.9856 1.9856 2.5594 2.5594 2.9515 2.9515 3.7368 3.7368 k = 0.5144 0.3894-0.1745 ( 5706 PWs) bands (ev): -39.0551 -39.0551 -14.9493 -14.9493 -14.3478 -14.3478 -13.8776 -13.8776 -10.3976 -10.3976 -1.1895 -1.1895 -1.0553 -1.0553 -0.4378 -0.4378 -0.0800 -0.0800 0.2304 0.2304 0.7717 0.7717 0.9765 0.9765 1.6432 1.6432 1.9891 1.9891 2.5603 2.5603 2.9587 2.9587 3.7468 3.7468 k = 0.5072 0.3983-0.1745 ( 5708 PWs) bands (ev): -39.0551 -39.0551 -14.9512 -14.9512 -14.3451 -14.3451 -13.8776 -13.8776 -10.3984 -10.3984 -1.1623 -1.1623 -1.0942 -1.0942 -0.4388 -0.4388 -0.0802 -0.0802 0.2382 0.2382 0.7718 0.7718 0.9860 0.9860 1.6283 1.6283 1.9912 1.9912 2.5609 2.5609 2.9630 2.9630 3.7529 3.7529 k = 0.5000 0.4071-0.1745 ( 5702 PWs) bands (ev): -39.0551 -39.0551 -14.9518 -14.9518 -14.3442 -14.3442 -13.8776 -13.8776 -10.3987 -10.3987 -1.1368 -1.1368 -1.1236 -1.1236 -0.4392 -0.4392 -0.0803 -0.0803 0.2408 0.2408 0.7719 0.7719 0.9893 0.9893 1.6231 1.6231 1.9919 1.9919 2.5611 2.5611 2.9645 2.9645 3.7549 3.7549 k = 0.5000 0.4071-0.1745 ( 5702 PWs) bands (ev): -39.0551 -39.0551 -14.9518 -14.9518 -14.3442 -14.3442 -13.8776 -13.8776 -10.3987 -10.3987 -1.1368 -1.1368 -1.1236 -1.1236 -0.4392 -0.4392 -0.0803 -0.0803 0.2408 0.2408 0.7719 0.7719 0.9893 0.9893 1.6231 1.6231 1.9919 1.9919 2.5611 2.5611 2.9645 2.9645 3.7549 3.7549 k = 0.5023 0.4090-0.1635 ( 5708 PWs) bands (ev): -39.0551 -39.0551 -14.9524 -14.9524 -14.3436 -14.3436 -13.8774 -13.8774 -10.3984 -10.3984 -1.1392 -1.1392 -1.1259 -1.1259 -0.4502 -0.4502 -0.0718 -0.0718 0.2353 0.2353 0.7785 0.7785 0.9919 0.9919 1.6279 1.6279 1.9918 1.9918 2.5611 2.5611 2.9643 2.9643 3.7552 3.7552 k = 0.5047 0.4109-0.1524 ( 5708 PWs) bands (ev): -39.0551 -39.0551 -14.9540 -14.9540 -14.3419 -14.3419 -13.8770 -13.8770 -10.3974 -10.3974 -1.1463 -1.1463 -1.1327 -1.1327 -0.4799 -0.4799 -0.0507 -0.0507 0.2212 0.2212 0.7974 0.7974 0.9995 0.9995 1.6422 1.6422 1.9914 1.9914 2.5612 2.5612 2.9638 2.9638 3.7560 3.7560 k = 0.5070 0.4128-0.1413 ( 5714 PWs) bands (ev): -39.0551 -39.0551 -14.9568 -14.9568 -14.3391 -14.3391 -13.8764 -13.8764 -10.3959 -10.3959 -1.1581 -1.1581 -1.1439 -1.1439 -0.5224 -0.5224 -0.0281 -0.0281 0.2058 0.2058 0.8266 0.8266 1.0121 1.0121 1.6655 1.6655 1.9908 1.9908 2.5613 2.5613 2.9628 2.9628 3.7574 3.7574 k = 0.5093 0.4147-0.1302 ( 5710 PWs) bands (ev): -39.0551 -39.0551 -14.9606 -14.9606 -14.3352 -14.3352 -13.8755 -13.8755 -10.3938 -10.3938 -1.1743 -1.1743 -1.1592 -1.1592 -0.5724 -0.5724 -0.0189 -0.0189 0.2018 0.2018 0.8635 0.8635 1.0293 1.0293 1.6970 1.6970 1.9899 1.9899 2.5616 2.5616 2.9615 2.9615 3.7593 3.7593 k = 0.5116 0.4166-0.1192 ( 5702 PWs) bands (ev): -39.0550 -39.0550 -14.9654 -14.9654 -14.3302 -14.3302 -13.8744 -13.8744 -10.3911 -10.3911 -1.1946 -1.1946 -1.1785 -1.1785 -0.6267 -0.6267 -0.0348 -0.0348 0.2203 0.2203 0.9062 0.9062 1.0511 1.0511 1.7359 1.7359 1.9888 1.9888 2.5619 2.5619 2.9598 2.9598 3.7618 3.7618 k = 0.5140 0.4185-0.1081 ( 5707 PWs) bands (ev): -39.0550 -39.0550 -14.9712 -14.9712 -14.3242 -14.3242 -13.8730 -13.8730 -10.3878 -10.3878 -1.2188 -1.2188 -1.2013 -1.2013 -0.6835 -0.6835 -0.0732 -0.0732 0.2587 0.2587 0.9534 0.9534 1.0770 1.0770 1.7812 1.7812 1.9875 1.9875 2.5622 2.5622 2.9578 2.9578 3.7647 3.7647 k = 0.5163 0.4204-0.0970 ( 5709 PWs) bands (ev): -39.0550 -39.0550 -14.9780 -14.9780 -14.3173 -14.3173 -13.8714 -13.8714 -10.3839 -10.3839 -1.2464 -1.2464 -1.2273 -1.2273 -0.7415 -0.7415 -0.1254 -0.1254 0.3085 0.3085 1.0039 1.0039 1.1066 1.1066 1.8319 1.8319 1.9859 1.9859 2.5627 2.5627 2.9555 2.9555 3.7682 3.7682 k = 0.5186 0.4223-0.0859 ( 5711 PWs) bands (ev): -39.0549 -39.0549 -14.9855 -14.9855 -14.3096 -14.3096 -13.8696 -13.8696 -10.3794 -10.3794 -1.2772 -1.2772 -1.2562 -1.2562 -0.8000 -0.8000 -0.1854 -0.1854 0.3645 0.3645 1.0572 1.0572 1.1397 1.1397 1.8872 1.8872 1.9841 1.9841 2.5633 2.5633 2.9528 2.9528 3.7722 3.7722 k = 0.5209 0.4242-0.0748 ( 5709 PWs) bands (ev): -39.0549 -39.0549 -14.9939 -14.9939 -14.3009 -14.3009 -13.8675 -13.8675 -10.3744 -10.3744 -1.3107 -1.3107 -1.2876 -1.2876 -0.8584 -0.8584 -0.2503 -0.2503 0.4239 0.4239 1.1126 1.1126 1.1757 1.1757 1.9461 1.9461 1.9822 1.9822 2.5641 2.5641 2.9497 2.9497 3.7767 3.7767 k = 0.5233 0.4261-0.0638 ( 5707 PWs) bands (ev): -39.0548 -39.0548 -15.0030 -15.0030 -14.2916 -14.2916 -13.8652 -13.8652 -10.3688 -10.3688 -1.3466 -1.3466 -1.3214 -1.3214 -0.9163 -0.9163 -0.3183 -0.3183 0.4853 0.4853 1.1698 1.1698 1.2145 1.2145 1.9796 1.9796 2.0085 2.0085 2.5651 2.5651 2.9464 2.9464 3.7816 3.7816 k = 0.5256 0.4280-0.0527 ( 5713 PWs) bands (ev): -39.0547 -39.0547 -15.0127 -15.0127 -14.2815 -14.2815 -13.8627 -13.8627 -10.3627 -10.3627 -1.3845 -1.3845 -1.3571 -1.3571 -0.9733 -0.9733 -0.3885 -0.3885 0.5481 0.5481 1.2282 1.2282 1.2555 1.2555 1.9773 1.9773 2.0725 2.0725 2.5663 2.5663 2.9428 2.9428 3.7870 3.7870 k = 0.5279 0.4299-0.0416 ( 5715 PWs) bands (ev): -39.0547 -39.0547 -15.0231 -15.0231 -14.2708 -14.2708 -13.8600 -13.8600 -10.3561 -10.3561 -1.4241 -1.4241 -1.3945 -1.3945 -1.0292 -1.0292 -0.4601 -0.4601 0.6117 0.6117 1.2877 1.2877 1.2984 1.2984 1.9747 1.9747 2.1383 2.1383 2.5679 2.5679 2.9389 2.9389 3.7928 3.7928 k = 0.5302 0.4318-0.0305 ( 5709 PWs) bands (ev): -39.0546 -39.0546 -15.0340 -15.0340 -14.2595 -14.2595 -13.8571 -13.8571 -10.3490 -10.3490 -1.4651 -1.4651 -1.4334 -1.4334 -1.0837 -1.0837 -0.5326 -0.5326 0.6759 0.6759 1.3427 1.3427 1.3480 1.3480 1.9719 1.9719 2.2050 2.2050 2.5700 2.5700 2.9348 2.9348 3.7990 3.7990 k = 0.5326 0.4336-0.0194 ( 5707 PWs) bands (ev): -39.0545 -39.0545 -15.0454 -15.0454 -14.2477 -14.2477 -13.8540 -13.8540 -10.3413 -10.3413 -1.5072 -1.5072 -1.4736 -1.4736 -1.1366 -1.1366 -0.6056 -0.6056 0.7402 0.7402 1.3885 1.3885 1.4085 1.4085 1.9689 1.9689 2.2720 2.2720 2.5730 2.5730 2.9304 2.9304 3.8056 3.8056 k = 0.5349 0.4355-0.0084 ( 5708 PWs) bands (ev): -39.0544 -39.0544 -15.0573 -15.0573 -14.2354 -14.2354 -13.8508 -13.8508 -10.3333 -10.3333 -1.5502 -1.5502 -1.5148 -1.5148 -1.1878 -1.1878 -0.6787 -0.6787 0.8047 0.8047 1.4351 1.4351 1.4692 1.4692 1.9659 1.9659 2.3382 2.3382 2.5776 2.5776 2.9258 2.9258 3.8125 3.8125 k = 0.5372 0.4374 0.0027 ( 5702 PWs) bands (ev): -39.0543 -39.0543 -15.0695 -15.0695 -14.2226 -14.2226 -13.8473 -13.8473 -10.3247 -10.3247 -1.5936 -1.5936 -1.5569 -1.5569 -1.2372 -1.2372 -0.7517 -0.7517 0.8690 0.8690 1.4824 1.4824 1.5298 1.5298 1.9628 1.9628 2.4019 2.4019 2.5852 2.5852 2.9210 2.9210 3.8198 3.8198 k = 0.5395 0.4393 0.0138 ( 5703 PWs) bands (ev): -39.0542 -39.0542 -15.0821 -15.0821 -14.2095 -14.2095 -13.8438 -13.8438 -10.3158 -10.3158 -1.6375 -1.6375 -1.5997 -1.5997 -1.2846 -1.2846 -0.8244 -0.8244 0.9329 0.9329 1.5299 1.5299 1.5900 1.5900 1.9598 1.9598 2.4592 2.4592 2.5994 2.5994 2.9160 2.9160 3.8274 3.8274 k = 0.5419 0.4412 0.0249 ( 5710 PWs) bands (ev): -39.0541 -39.0541 -15.0950 -15.0950 -14.1961 -14.1961 -13.8401 -13.8401 -10.3065 -10.3065 -1.6814 -1.6814 -1.6429 -1.6429 -1.3302 -1.3302 -0.8964 -0.8964 0.9964 0.9964 1.5774 1.5774 1.6495 1.6495 1.9569 1.9569 2.5027 2.5027 2.6274 2.6274 2.9108 2.9108 3.8353 3.8353 k = 0.5442 0.4431 0.0360 ( 5711 PWs) bands (ev): -39.0540 -39.0540 -15.1082 -15.1082 -14.1823 -14.1823 -13.8363 -13.8363 -10.2968 -10.2968 -1.7254 -1.7254 -1.6863 -1.6863 -1.3740 -1.3740 -0.9677 -0.9677 1.0592 1.0592 1.6243 1.6243 1.7082 1.7082 1.9544 1.9544 2.5282 2.5282 2.6734 2.6734 2.9055 2.9055 3.8435 3.8435 k = 0.5465 0.4450 0.0470 ( 5708 PWs) bands (ev): -39.0539 -39.0539 -15.1216 -15.1216 -14.1683 -14.1683 -13.8324 -13.8324 -10.2867 -10.2867 -1.7690 -1.7690 -1.7298 -1.7298 -1.4159 -1.4159 -1.0379 -1.0379 1.1212 1.1212 1.6703 1.6703 1.7659 1.7659 1.9527 1.9527 2.5415 2.5415 2.7312 2.7312 2.9001 2.9001 3.8519 3.8519 k = 0.5488 0.4469 0.0581 ( 5714 PWs) bands (ev): -39.0539 -39.0539 -15.1351 -15.1351 -14.1541 -14.1541 -13.8284 -13.8284 -10.2764 -10.2764 -1.8123 -1.8123 -1.7730 -1.7730 -1.4561 -1.4561 -1.1068 -1.1068 1.1821 1.1821 1.7146 1.7146 1.8223 1.8223 1.9522 1.9522 2.5493 2.5493 2.7940 2.7940 2.8946 2.8946 3.8605 3.8605 k = 0.5512 0.4488 0.0692 ( 5715 PWs) bands (ev): -39.0538 -39.0538 -15.1489 -15.1489 -14.1397 -14.1397 -13.8243 -13.8243 -10.2657 -10.2657 -1.8551 -1.8551 -1.8158 -1.8158 -1.4948 -1.4948 -1.1742 -1.1742 1.2419 1.2419 1.7559 1.7559 1.8773 1.8773 1.9542 1.9542 2.5547 2.5547 2.8580 2.8580 2.8897 2.8897 3.8694 3.8694 k = 0.5535 0.4507 0.0803 ( 5713 PWs) bands (ev): -39.0537 -39.0537 -15.1627 -15.1627 -14.1251 -14.1251 -13.8202 -13.8202 -10.2548 -10.2548 -1.8971 -1.8971 -1.8580 -1.8580 -1.5322 -1.5322 -1.2398 -1.2398 1.3002 1.3002 1.7924 1.7924 1.9304 1.9304 1.9607 1.9607 2.5591 2.5591 2.8819 2.8819 2.9252 2.9252 3.8784 3.8784 k = 0.5558 0.4526 0.0914 ( 5708 PWs) bands (ev): -39.0536 -39.0536 -15.1767 -15.1767 -14.1104 -14.1104 -13.8160 -13.8160 -10.2437 -10.2437 -1.9384 -1.9384 -1.8994 -1.8994 -1.5686 -1.5686 -1.3032 -1.3032 1.3568 1.3568 1.8212 1.8212 1.9707 1.9707 1.9850 1.9850 2.5631 2.5631 2.8766 2.8766 2.9896 2.9896 3.8875 3.8875 k = 0.5581 0.4545 0.1024 ( 5704 PWs) bands (ev): -39.0535 -39.0535 -15.1907 -15.1907 -14.0956 -14.0956 -13.8118 -13.8118 -10.2324 -10.2324 -1.9788 -1.9788 -1.9399 -1.9399 -1.6043 -1.6043 -1.3640 -1.3640 1.4117 1.4117 1.8403 1.8403 1.9934 1.9934 2.0338 2.0338 2.5669 2.5669 2.8707 2.8707 3.0538 3.0538 3.8968 3.8968 k = 0.5605 0.4564 0.1135 ( 5707 PWs) bands (ev): -39.0534 -39.0534 -15.2047 -15.2047 -14.0808 -14.0808 -13.8075 -13.8075 -10.2209 -10.2209 -2.0181 -2.0181 -1.9793 -1.9793 -1.6399 -1.6399 -1.4215 -1.4215 1.4645 1.4645 1.8503 1.8503 2.0230 2.0230 2.0818 2.0818 2.5709 2.5709 2.8648 2.8648 3.1170 3.1170 3.9062 3.9062 k = 0.5628 0.4583 0.1246 ( 5705 PWs) bands (ev): -39.0533 -39.0533 -15.2188 -15.2188 -14.0659 -14.0659 -13.8033 -13.8033 -10.2093 -10.2093 -2.0564 -2.0564 -2.0175 -2.0175 -1.6759 -1.6759 -1.4752 -1.4752 1.5150 1.5150 1.8538 1.8538 2.0577 2.0577 2.1280 2.1280 2.5750 2.5750 2.8589 2.8589 3.1791 3.1791 3.9156 3.9156 k = 0.5651 0.4602 0.1357 ( 5703 PWs) bands (ev): -39.0532 -39.0532 -15.2328 -15.2328 -14.0510 -14.0510 -13.7991 -13.7991 -10.1976 -10.1976 -2.0934 -2.0934 -2.0543 -2.0543 -1.7131 -1.7131 -1.5242 -1.5242 1.5630 1.5630 1.8533 1.8533 2.0950 2.0950 2.1722 2.1722 2.5795 2.5795 2.8529 2.8529 3.2399 3.2399 3.9251 3.9251 k = 0.5674 0.4621 0.1467 ( 5709 PWs) bands (ev): -39.0531 -39.0531 -15.2468 -15.2468 -14.0361 -14.0361 -13.7949 -13.7949 -10.1858 -10.1858 -2.1292 -2.1292 -2.0899 -2.0899 -1.7521 -1.7521 -1.5678 -1.5678 1.6083 1.6083 1.8504 1.8504 2.1333 2.1333 2.2143 2.2143 2.5843 2.5843 2.8469 2.8469 3.2993 3.2993 3.9346 3.9346 k = 0.5698 0.4639 0.1578 ( 5711 PWs) bands (ev): -39.0531 -39.0531 -15.2608 -15.2608 -14.0212 -14.0212 -13.7907 -13.7907 -10.1741 -10.1741 -2.1636 -2.1636 -2.1239 -2.1239 -1.7932 -1.7932 -1.6056 -1.6056 1.6506 1.6506 1.8459 1.8459 2.1716 2.1716 2.2543 2.2543 2.5894 2.5894 2.8410 2.8410 3.3571 3.3571 3.9441 3.9441 k = 0.5721 0.4658 0.1689 ( 5711 PWs) bands (ev): -39.0530 -39.0530 -15.2747 -15.2747 -14.0064 -14.0064 -13.7866 -13.7866 -10.1623 -10.1623 -2.1966 -2.1966 -2.1565 -2.1565 -1.8361 -1.8361 -1.6378 -1.6378 1.6898 1.6898 1.8404 1.8404 2.2094 2.2094 2.2922 2.2922 2.5949 2.5949 2.8351 2.8351 3.4133 3.4133 3.9536 3.9536 k = 0.5721 0.4658 0.1689 ( 5711 PWs) bands (ev): -39.0530 -39.0530 -15.2747 -15.2747 -14.0064 -14.0064 -13.7866 -13.7866 -10.1623 -10.1623 -2.1966 -2.1966 -2.1565 -2.1565 -1.8361 -1.8361 -1.6378 -1.6378 1.6898 1.6898 1.8404 1.8404 2.2094 2.2094 2.2922 2.2922 2.5949 2.5949 2.8351 2.8351 3.4133 3.4133 3.9536 3.9536 k = 0.5679 0.4624 0.1792 ( 5725 PWs) bands (ev): -39.0529 -39.0529 -15.2937 -15.2937 -13.9814 -13.9814 -13.7855 -13.7855 -10.1469 -10.1469 -2.2383 -2.2383 -2.1955 -2.1955 -1.9035 -1.9035 -1.6755 -1.6755 1.7198 1.7198 1.8538 1.8538 2.2564 2.2564 2.3415 2.3415 2.6065 2.6065 2.8276 2.8276 3.4870 3.4870 3.9682 3.9682 k = 0.5636 0.4589 0.1894 ( 5725 PWs) bands (ev): -39.0528 -39.0528 -15.3117 -15.3117 -13.9576 -13.9576 -13.7844 -13.7844 -10.1316 -10.1316 -2.2780 -2.2780 -2.2327 -2.2327 -1.9725 -1.9725 -1.7064 -1.7064 1.7473 1.7473 1.8653 1.8653 2.3024 2.3024 2.3897 2.3897 2.6176 2.6176 2.8205 2.8205 3.5573 3.5573 3.9823 3.9823 k = 0.5594 0.4555 0.1997 ( 5723 PWs) bands (ev): -39.0527 -39.0527 -15.3288 -15.3288 -13.9349 -13.9349 -13.7834 -13.7834 -10.1165 -10.1165 -2.3155 -2.3155 -2.2681 -2.2681 -2.0408 -2.0408 -1.7327 -1.7327 1.7725 1.7725 1.8753 1.8753 2.3470 2.3470 2.4365 2.4365 2.6281 2.6281 2.8140 2.8140 3.6240 3.6240 3.9960 3.9960 k = 0.5551 0.4520 0.2100 ( 5715 PWs) bands (ev): -39.0527 -39.0527 -15.3448 -15.3448 -13.9135 -13.9135 -13.7823 -13.7823 -10.1017 -10.1017 -2.3509 -2.3509 -2.3017 -2.3017 -2.1067 -2.1067 -1.7557 -1.7557 1.7955 1.7955 1.8840 1.8840 2.3895 2.3895 2.4815 2.4815 2.6381 2.6381 2.8079 2.8079 3.6870 3.6870 4.0092 4.0092 k = 0.5509 0.4486 0.2202 ( 5717 PWs) bands (ev): -39.0526 -39.0526 -15.3599 -15.3599 -13.8935 -13.8935 -13.7812 -13.7812 -10.0873 -10.0873 -2.3839 -2.3839 -2.3333 -2.3333 -2.1692 -2.1692 -1.7763 -1.7763 1.8164 1.8164 1.8918 1.8918 2.4297 2.4297 2.5244 2.5244 2.6475 2.6475 2.8026 2.8026 3.7460 3.7460 4.0217 4.0217 k = 0.5466 0.4451 0.2305 ( 5719 PWs) bands (ev): -39.0525 -39.0525 -15.3738 -15.3738 -13.8749 -13.8749 -13.7802 -13.7802 -10.0735 -10.0735 -2.4145 -2.4145 -2.3631 -2.3631 -2.2277 -2.2277 -1.7946 -1.7946 1.8353 1.8353 1.8986 1.8986 2.4670 2.4670 2.5648 2.5648 2.6564 2.6564 2.7979 2.7979 3.8008 3.8008 4.0336 4.0336 k = 0.5424 0.4417 0.2408 ( 5723 PWs) bands (ev): -39.0525 -39.0525 -15.3866 -15.3866 -13.8577 -13.8577 -13.7792 -13.7792 -10.0604 -10.0604 -2.4427 -2.4427 -2.3912 -2.3912 -2.2814 -2.2814 -1.8111 -1.8111 1.8524 1.8524 1.9046 1.9046 2.5013 2.5013 2.6024 2.6024 2.6648 2.6648 2.7941 2.7941 3.8514 3.8514 4.0447 4.0447 k = 0.5382 0.4382 0.2510 ( 5729 PWs) bands (ev): -39.0524 -39.0524 -15.3982 -15.3982 -13.8421 -13.8421 -13.7783 -13.7783 -10.0481 -10.0481 -2.4684 -2.4684 -2.4179 -2.4179 -2.3297 -2.3297 -1.8258 -1.8258 1.8677 1.8677 1.9099 1.9099 2.5323 2.5323 2.6366 2.6366 2.6730 2.6730 2.7912 2.7912 3.8975 3.8975 4.0550 4.0550 k = 0.5339 0.4348 0.2613 ( 5732 PWs) bands (ev): -39.0524 -39.0524 -15.4087 -15.4087 -13.8280 -13.8280 -13.7775 -13.7775 -10.0367 -10.0367 -2.4915 -2.4915 -2.4436 -2.4436 -2.3719 -2.3719 -1.8388 -1.8388 1.8812 1.8812 1.9146 1.9146 2.5597 2.5597 2.6653 2.6653 2.6829 2.6829 2.7893 2.7893 3.9391 3.9391 4.0644 4.0644 k = 0.5297 0.4313 0.2716 ( 5730 PWs) bands (ev): -39.0523 -39.0523 -15.4180 -15.4180 -13.8154 -13.8154 -13.7767 -13.7767 -10.0264 -10.0264 -2.5121 -2.5121 -2.4689 -2.4689 -2.4071 -2.4071 -1.8502 -1.8502 1.8931 1.8931 1.9186 1.9186 2.5834 2.5834 2.6803 2.6803 2.7024 2.7024 2.7884 2.7884 3.9760 3.9760 4.0730 4.0730 k = 0.5254 0.4279 0.2818 ( 5726 PWs) bands (ev): -39.0523 -39.0523 -15.4261 -15.4261 -13.8045 -13.8045 -13.7760 -13.7760 -10.0172 -10.0172 -2.5299 -2.5299 -2.4940 -2.4940 -2.4349 -2.4349 -1.8600 -1.8600 1.9033 1.9033 1.9220 1.9220 2.6033 2.6033 2.6871 2.6871 2.7258 2.7258 2.7886 2.7886 4.0080 4.0080 4.0807 4.0807 k = 0.5212 0.4244 0.2921 ( 5728 PWs) bands (ev): -39.0522 -39.0522 -15.4330 -15.4330 -13.7952 -13.7952 -13.7754 -13.7754 -10.0093 -10.0093 -2.5451 -2.5451 -2.5178 -2.5178 -2.4561 -2.4561 -1.8683 -1.8683 1.9119 1.9119 1.9249 1.9249 2.6194 2.6194 2.6921 2.6921 2.7467 2.7467 2.7895 2.7895 4.0349 4.0349 4.0876 4.0876 k = 0.5170 0.4209 0.3024 ( 5732 PWs) bands (ev): -39.0522 -39.0522 -15.4386 -15.4386 -13.7876 -13.7876 -13.7749 -13.7749 -10.0027 -10.0027 -2.5577 -2.5577 -2.5389 -2.5389 -2.4720 -2.4720 -1.8751 -1.8751 1.9188 1.9188 1.9273 1.9273 2.6319 2.6319 2.6960 2.6960 2.7641 2.7641 2.7911 2.7911 4.0565 4.0565 4.0938 4.0938 k = 0.5127 0.4175 0.3126 ( 5728 PWs) bands (ev): -39.0522 -39.0522 -15.4430 -15.4430 -13.7817 -13.7817 -13.7745 -13.7745 -9.9975 -9.9975 -2.5675 -2.5675 -2.5561 -2.5561 -2.4836 -2.4836 -1.8804 -1.8804 1.9242 1.9242 1.9291 1.9291 2.6411 2.6411 2.6990 2.6990 2.7777 2.7777 2.7931 2.7931 4.0726 4.0726 4.0996 4.0996 k = 0.5085 0.4140 0.3229 ( 5726 PWs) bands (ev): -39.0522 -39.0522 -15.4462 -15.4462 -13.7774 -13.7774 -13.7742 -13.7742 -9.9937 -9.9937 -2.5748 -2.5748 -2.5685 -2.5685 -2.4916 -2.4916 -1.8841 -1.8841 1.9279 1.9279 1.9305 1.9305 2.6473 2.6473 2.7011 2.7011 2.7872 2.7872 2.7952 2.7952 4.0829 4.0829 4.1049 4.1049 k = 0.5042 0.4106 0.3332 ( 5726 PWs) bands (ev): -39.0522 -39.0522 -15.4481 -15.4481 -13.7748 -13.7748 -13.7741 -13.7741 -9.9914 -9.9914 -2.5797 -2.5797 -2.5756 -2.5756 -2.4963 -2.4963 -1.8864 -1.8864 1.9299 1.9299 1.9316 1.9316 2.6509 2.6509 2.7024 2.7024 2.7923 2.7923 2.7973 2.7973 4.0882 4.0882 4.1089 4.1089 k = 0.5000 0.4071 0.3435 ( 5716 PWs) bands (ev): -39.0521 -39.0521 -15.4487 -15.4487 -13.7741 -13.7741 -13.7739 -13.7739 -9.9907 -9.9907 -2.5817 -2.5817 -2.5777 -2.5777 -2.4978 -2.4978 -1.8871 -1.8871 1.9305 1.9305 1.9321 1.9321 2.6520 2.6520 2.7028 2.7028 2.7936 2.7936 2.7984 2.7984 4.0898 4.0898 4.1105 4.1105 k = 0.5000-0.1035-0.0873 ( 5716 PWs) bands (ev): -39.0583 -39.0583 -15.0659 -15.0659 -14.6762 -14.6762 -13.4557 -13.4557 -10.2011 -10.2011 -1.5152 -1.5152 -0.9015 -0.9015 -0.0027 -0.0027 0.5834 0.5834 0.7208 0.7208 0.8187 0.8187 1.0777 1.0777 1.1191 1.1191 1.5456 1.5456 1.8696 1.8696 2.8217 2.8217 3.6613 3.6613 k = 0.5031-0.0948-0.0800 ( 5712 PWs) bands (ev): -39.0583 -39.0583 -15.0661 -15.0661 -14.6757 -14.6757 -13.4560 -13.4560 -10.2012 -10.2012 -1.5157 -1.5157 -0.9032 -0.9032 -0.0013 -0.0013 0.5807 0.5807 0.7154 0.7154 0.8184 0.8184 1.0793 1.0793 1.1199 1.1199 1.5507 1.5507 1.8717 1.8717 2.8218 2.8218 3.6615 3.6615 k = 0.5061-0.0861-0.0727 ( 5712 PWs) bands (ev): -39.0582 -39.0582 -15.0666 -15.0666 -14.6740 -14.6740 -13.4570 -13.4570 -10.2015 -10.2015 -1.5170 -1.5170 -0.9082 -0.9082 0.0030 0.0030 0.5726 0.5726 0.6993 0.6993 0.8179 0.8179 1.0838 1.0838 1.1223 1.1223 1.5655 1.5655 1.8780 1.8780 2.8219 2.8219 3.6620 3.6620 k = 0.5092-0.0775-0.0654 ( 5719 PWs) bands (ev): -39.0582 -39.0582 -15.0675 -15.0675 -14.6712 -14.6712 -13.4585 -13.4585 -10.2020 -10.2020 -1.5191 -1.5191 -0.9165 -0.9165 0.0101 0.0101 0.5586 0.5586 0.6733 0.6733 0.8184 0.8184 1.0913 1.0913 1.1263 1.1263 1.5889 1.5889 1.8881 1.8881 2.8222 2.8222 3.6629 3.6629 k = 0.5123-0.0688-0.0580 ( 5725 PWs) bands (ev): -39.0582 -39.0582 -15.0688 -15.0688 -14.6673 -14.6673 -13.4606 -13.4606 -10.2026 -10.2026 -1.5221 -1.5221 -0.9280 -0.9280 0.0201 0.0201 0.5379 0.5379 0.6390 0.6390 0.8210 0.8210 1.1017 1.1017 1.1320 1.1320 1.6190 1.6190 1.9019 1.9019 2.8227 2.8227 3.6642 3.6642 k = 0.5153-0.0601-0.0507 ( 5727 PWs) bands (ev): -39.0582 -39.0582 -15.0704 -15.0704 -14.6624 -14.6624 -13.4633 -13.4633 -10.2035 -10.2035 -1.5259 -1.5259 -0.9424 -0.9424 0.0329 0.0329 0.5098 0.5098 0.5987 0.5987 0.8264 0.8264 1.1149 1.1149 1.1391 1.1391 1.6544 1.6544 1.9189 1.9189 2.8232 2.8232 3.6658 3.6658 k = 0.5184-0.0515-0.0434 ( 5721 PWs) bands (ev): -39.0581 -39.0581 -15.0723 -15.0723 -14.6565 -14.6565 -13.4666 -13.4666 -10.2045 -10.2045 -1.5305 -1.5305 -0.9598 -0.9598 0.0483 0.0483 0.4735 0.4735 0.5549 0.5549 0.8348 0.8348 1.1306 1.1306 1.1477 1.1477 1.6935 1.6935 1.9387 1.9387 2.8238 2.8238 3.6678 3.6678 k = 0.5215-0.0428-0.0361 ( 5721 PWs) bands (ev): -39.0580 -39.0580 -15.0744 -15.0744 -14.6495 -14.6495 -13.4705 -13.4705 -10.2057 -10.2057 -1.5359 -1.5359 -0.9798 -0.9798 0.0665 0.0665 0.4285 0.4285 0.5095 0.5095 0.8465 0.8465 1.1485 1.1485 1.1577 1.1577 1.7353 1.7353 1.9609 1.9609 2.8246 2.8246 3.6701 3.6701 k = 0.5245-0.0342-0.0288 ( 5711 PWs) bands (ev): -39.0580 -39.0580 -15.0768 -15.0768 -14.6417 -14.6417 -13.4749 -13.4749 -10.2070 -10.2070 -1.5421 -1.5421 -1.0022 -1.0022 0.0873 0.0873 0.3757 0.3757 0.4635 0.4635 0.8613 0.8613 1.1667 1.1667 1.1709 1.1709 1.7787 1.7787 1.9849 1.9849 2.8254 2.8254 3.6727 3.6727 k = 0.5276-0.0255-0.0215 ( 5715 PWs) bands (ev): -39.0579 -39.0579 -15.0794 -15.0794 -14.6329 -14.6329 -13.4798 -13.4798 -10.2084 -10.2084 -1.5491 -1.5491 -1.0269 -1.0269 0.1107 0.1107 0.3165 0.3165 0.4167 0.4167 0.8789 0.8789 1.1798 1.1798 1.1922 1.1922 1.8233 1.8233 2.0105 2.0105 2.8264 2.8264 3.6757 3.6757 k = 0.5307-0.0168-0.0142 ( 5712 PWs) bands (ev): -39.0578 -39.0578 -15.0822 -15.0822 -14.6233 -14.6233 -13.4853 -13.4853 -10.2100 -10.2100 -1.5568 -1.5568 -1.0536 -1.0536 0.1365 0.1365 0.2527 0.2527 0.3685 0.3685 0.8993 0.8993 1.1930 1.1930 1.2163 1.2163 1.8684 1.8684 2.0371 2.0371 2.8274 2.8274 3.6791 3.6791 k = 0.5337-0.0082-0.0069 ( 5708 PWs) bands (ev): -39.0577 -39.0577 -15.0852 -15.0852 -14.6129 -14.6129 -13.4913 -13.4913 -10.2116 -10.2116 -1.5652 -1.5652 -1.0821 -1.0821 0.1646 0.1646 0.1858 0.1858 0.3186 0.3186 0.9223 0.9223 1.2071 1.2071 1.2421 1.2421 1.9136 1.9136 2.0646 2.0646 2.8285 2.8285 3.6828 3.6828 k = 0.5368 0.0005 0.0004 ( 5706 PWs) bands (ev): -39.0576 -39.0576 -15.0883 -15.0883 -14.6017 -14.6017 -13.4977 -13.4977 -10.2133 -10.2133 -1.5742 -1.5742 -1.1121 -1.1121 0.1160 0.1160 0.1956 0.1956 0.2670 0.2670 0.9476 0.9476 1.2220 1.2220 1.2693 1.2693 1.9587 1.9587 2.0927 2.0927 2.8297 2.8297 3.6868 3.6868 k = 0.5399 0.0092 0.0077 ( 5706 PWs) bands (ev): -39.0575 -39.0575 -15.0915 -15.0915 -14.5898 -14.5898 -13.5046 -13.5046 -10.2151 -10.2151 -1.5840 -1.5840 -1.1436 -1.1436 0.0448 0.0448 0.2135 0.2135 0.2287 0.2287 0.9751 0.9751 1.2378 1.2378 1.2978 1.2978 2.0033 2.0033 2.1212 2.1212 2.8310 2.8310 3.6911 3.6911 k = 0.5429 0.0178 0.0150 ( 5706 PWs) bands (ev): -39.0574 -39.0574 -15.0949 -15.0949 -14.5772 -14.5772 -13.5119 -13.5119 -10.2169 -10.2169 -1.5944 -1.5944 -1.1763 -1.1763 -0.0277 -0.0277 0.1587 0.1587 0.2637 0.2637 1.0047 1.0047 1.2545 1.2545 1.3274 1.3274 2.0470 2.0470 2.1502 2.1502 2.8323 2.8323 3.6957 3.6957 k = 0.5460 0.0265 0.0223 ( 5699 PWs) bands (ev): -39.0572 -39.0572 -15.0983 -15.0983 -14.5640 -14.5640 -13.5196 -13.5196 -10.2186 -10.2186 -1.6053 -1.6053 -1.2100 -1.2100 -0.1010 -0.1010 0.1023 0.1023 0.3010 0.3010 1.0361 1.0361 1.2720 1.2720 1.3578 1.3578 2.0894 2.0894 2.1799 2.1799 2.8337 2.8337 3.7007 3.7007 k = 0.5491 0.0351 0.0296 ( 5695 PWs) bands (ev): -39.0571 -39.0571 -15.1018 -15.1018 -14.5502 -14.5502 -13.5277 -13.5277 -10.2204 -10.2204 -1.6169 -1.6169 -1.2446 -1.2446 -0.1748 -0.1748 0.0447 0.0447 0.3403 0.3403 1.0691 1.0691 1.2903 1.2903 1.3889 1.3889 2.1298 2.1298 2.2106 2.2106 2.8351 2.8351 3.7059 3.7059 k = 0.5522 0.0438 0.0370 ( 5699 PWs) bands (ev): -39.0570 -39.0570 -15.1053 -15.1053 -14.5359 -14.5359 -13.5361 -13.5361 -10.2221 -10.2221 -1.6291 -1.6291 -1.2798 -1.2798 -0.2488 -0.2488 -0.0141 -0.0141 0.3816 0.3816 1.1037 1.1037 1.3095 1.3095 1.4205 1.4205 2.1674 2.1674 2.2431 2.2431 2.8366 2.8366 3.7114 3.7114 k = 0.5552 0.0525 0.0443 ( 5696 PWs) bands (ev): -39.0568 -39.0568 -15.1090 -15.1090 -14.5210 -14.5210 -13.5448 -13.5448 -10.2238 -10.2238 -1.6417 -1.6417 -1.3156 -1.3156 -0.3228 -0.3228 -0.0738 -0.0738 0.4247 0.4247 1.1396 1.1396 1.3295 1.3295 1.4526 1.4526 2.2014 2.2014 2.2779 2.2779 2.8380 2.8380 3.7172 3.7172 k = 0.5583 0.0611 0.0516 ( 5694 PWs) bands (ev): -39.0567 -39.0567 -15.1127 -15.1127 -14.5057 -14.5057 -13.5538 -13.5538 -10.2253 -10.2253 -1.6549 -1.6549 -1.3518 -1.3518 -0.3965 -0.3965 -0.1344 -0.1344 0.4695 0.4695 1.1765 1.1765 1.3504 1.3504 1.4849 1.4849 2.2318 2.2318 2.3151 2.3151 2.8395 2.8395 3.7233 3.7233 k = 0.5614 0.0698 0.0589 ( 5694 PWs) bands (ev): -39.0565 -39.0565 -15.1164 -15.1164 -14.4899 -14.4899 -13.5630 -13.5630 -10.2267 -10.2267 -1.6686 -1.6686 -1.3882 -1.3882 -0.4698 -0.4698 -0.1956 -0.1956 0.5159 0.5159 1.2142 1.2142 1.3722 1.3722 1.5173 1.5173 2.2587 2.2587 2.3543 2.3543 2.8409 2.8409 3.7296 3.7296 k = 0.5644 0.0785 0.0662 ( 5699 PWs) bands (ev): -39.0564 -39.0564 -15.1202 -15.1202 -14.4738 -14.4738 -13.5724 -13.5724 -10.2280 -10.2280 -1.6828 -1.6828 -1.4249 -1.4249 -0.5424 -0.5424 -0.2575 -0.2575 0.5639 0.5639 1.2523 1.2523 1.3951 1.3951 1.5498 1.5498 2.2830 2.2830 2.3948 2.3948 2.8424 2.8424 3.7362 3.7362 k = 0.5675 0.0871 0.0735 ( 5701 PWs) bands (ev): -39.0562 -39.0562 -15.1241 -15.1241 -14.4572 -14.4572 -13.5820 -13.5820 -10.2291 -10.2291 -1.6975 -1.6975 -1.4615 -1.4615 -0.6141 -0.6141 -0.3198 -0.3198 0.6132 0.6132 1.2904 1.2904 1.4194 1.4194 1.5822 1.5822 2.3050 2.3050 2.4360 2.4360 2.8438 2.8438 3.7430 3.7430 k = 0.5706 0.0958 0.0808 ( 5701 PWs) bands (ev): -39.0561 -39.0561 -15.1281 -15.1281 -14.4403 -14.4403 -13.5918 -13.5918 -10.2300 -10.2300 -1.7126 -1.7126 -1.4982 -1.4982 -0.6847 -0.6847 -0.3825 -0.3825 0.6638 0.6638 1.3278 1.3278 1.4454 1.4454 1.6145 1.6145 2.3252 2.3252 2.4777 2.4777 2.8452 2.8452 3.7501 3.7501 k = 0.5736 0.1044 0.0881 ( 5698 PWs) bands (ev): -39.0559 -39.0559 -15.1321 -15.1321 -14.4231 -14.4231 -13.6016 -13.6016 -10.2307 -10.2307 -1.7282 -1.7282 -1.5346 -1.5346 -0.7541 -0.7541 -0.4453 -0.4453 0.7154 0.7154 1.3639 1.3639 1.4737 1.4737 1.6464 1.6464 2.3438 2.3438 2.5195 2.5195 2.8465 2.8465 3.7574 3.7574 k = 0.5767 0.1131 0.0954 ( 5692 PWs) bands (ev): -39.0558 -39.0558 -15.1362 -15.1362 -14.4057 -14.4057 -13.6116 -13.6116 -10.2312 -10.2312 -1.7443 -1.7443 -1.5709 -1.5709 -0.8221 -0.8221 -0.5083 -0.5083 0.7681 0.7681 1.3979 1.3979 1.5047 1.5047 1.6781 1.6781 2.3611 2.3611 2.5612 2.5612 2.8478 2.8478 3.7648 3.7648 k = 0.5798 0.1218 0.1027 ( 5694 PWs) bands (ev): -39.0556 -39.0556 -15.1404 -15.1404 -14.3880 -14.3880 -13.6216 -13.6216 -10.2314 -10.2314 -1.7607 -1.7607 -1.6068 -1.6068 -0.8886 -0.8886 -0.5713 -0.5713 0.8216 0.8216 1.4292 1.4292 1.5386 1.5386 1.7093 1.7093 2.3771 2.3771 2.6029 2.6029 2.8490 2.8490 3.7725 3.7725 k = 0.5828 0.1304 0.1100 ( 5696 PWs) bands (ev): -39.0554 -39.0554 -15.1448 -15.1448 -14.3700 -14.3700 -13.6315 -13.6315 -10.2314 -10.2314 -1.7777 -1.7777 -1.6423 -1.6423 -0.9533 -0.9533 -0.6342 -0.6342 0.8758 0.8758 1.4579 1.4579 1.5754 1.5754 1.7401 1.7401 2.3919 2.3919 2.6445 2.6445 2.8501 2.8501 3.7803 3.7803 k = 0.5859 0.1391 0.1173 ( 5700 PWs) bands (ev): -39.0553 -39.0553 -15.1492 -15.1492 -14.3519 -14.3519 -13.6415 -13.6415 -10.2310 -10.2310 -1.7950 -1.7950 -1.6774 -1.6774 -1.0162 -1.0162 -0.6968 -0.6968 0.9305 0.9305 1.4841 1.4841 1.6145 1.6145 1.7703 1.7703 2.4056 2.4056 2.6858 2.6858 2.8511 2.8511 3.7883 3.7883 k = 0.5890 0.1478 0.1246 ( 5702 PWs) bands (ev): -39.0551 -39.0551 -15.1538 -15.1538 -14.3336 -14.3336 -13.6514 -13.6514 -10.2304 -10.2304 -1.8128 -1.8128 -1.7119 -1.7119 -1.0771 -1.0771 -0.7592 -0.7592 0.9857 0.9857 1.5083 1.5083 1.6553 1.6553 1.7999 1.7999 2.4185 2.4185 2.7269 2.7269 2.8521 2.8521 3.7965 3.7965 k = 0.5920 0.1564 0.1320 ( 5704 PWs) bands (ev): -39.0550 -39.0550 -15.1586 -15.1586 -14.3152 -14.3152 -13.6612 -13.6612 -10.2294 -10.2294 -1.8311 -1.8311 -1.7459 -1.7459 -1.1359 -1.1359 -0.8210 -0.8210 1.0410 1.0410 1.5308 1.5308 1.6971 1.6971 1.8289 1.8289 2.4305 2.4305 2.7677 2.7677 2.8530 2.8530 3.8048 3.8048 k = 0.5951 0.1651 0.1393 ( 5697 PWs) bands (ev): -39.0548 -39.0548 -15.1635 -15.1635 -14.2967 -14.2967 -13.6709 -13.6709 -10.2282 -10.2282 -1.8498 -1.8498 -1.7792 -1.7792 -1.1924 -1.1924 -0.8824 -0.8824 1.0965 1.0965 1.5518 1.5518 1.7394 1.7394 1.8573 1.8573 2.4417 2.4417 2.8079 2.8079 2.8540 2.8540 3.8132 3.8132 k = 0.5982 0.1737 0.1466 ( 5691 PWs) bands (ev): -39.0546 -39.0546 -15.1686 -15.1686 -14.2782 -14.2782 -13.6804 -13.6804 -10.2266 -10.2266 -1.8688 -1.8688 -1.8119 -1.8119 -1.2466 -1.2466 -0.9430 -0.9430 1.1518 1.1518 1.5716 1.5716 1.7818 1.7818 1.8849 1.8849 2.4523 2.4523 2.8446 2.8446 2.8582 2.8582 3.8217 3.8217 k = 0.6012 0.1824 0.1539 ( 5690 PWs) bands (ev): -39.0545 -39.0545 -15.1738 -15.1738 -14.2595 -14.2595 -13.6897 -13.6897 -10.2246 -10.2246 -1.8883 -1.8883 -1.8438 -1.8438 -1.2984 -1.2984 -1.0029 -1.0029 1.2068 1.2068 1.5900 1.5900 1.8240 1.8240 1.9118 1.9118 2.4624 2.4624 2.8527 2.8527 2.8905 2.8905 3.8304 3.8304 k = 0.6043 0.1911 0.1612 ( 5694 PWs) bands (ev): -39.0544 -39.0544 -15.1793 -15.1793 -14.2409 -14.2409 -13.6989 -13.6989 -10.2223 -10.2223 -1.9082 -1.9082 -1.8749 -1.8749 -1.3478 -1.3478 -1.0619 -1.0619 1.2614 1.2614 1.6073 1.6073 1.8657 1.8657 1.9379 1.9379 2.4721 2.4721 2.8534 2.8534 2.9297 2.9297 3.8391 3.8391 k = 0.6074 0.1997 0.1685 ( 5692 PWs) bands (ev): -39.0542 -39.0542 -15.1850 -15.1850 -14.2222 -14.2222 -13.7077 -13.7077 -10.2196 -10.2196 -1.9283 -1.9283 -1.9053 -1.9053 -1.3947 -1.3947 -1.1198 -1.1198 1.3154 1.3154 1.6232 1.6232 1.9066 1.9066 1.9633 1.9633 2.4815 2.4815 2.8535 2.8535 2.9691 2.9691 3.8479 3.8479 k = 0.6104 0.2084 0.1758 ( 5698 PWs) bands (ev): -39.0541 -39.0541 -15.1909 -15.1909 -14.2036 -14.2036 -13.7164 -13.7164 -10.2166 -10.2166 -1.9488 -1.9488 -1.9347 -1.9347 -1.4392 -1.4392 -1.1764 -1.1764 1.3685 1.3685 1.6377 1.6377 1.9465 1.9465 1.9879 1.9879 2.4906 2.4906 2.8534 2.8534 3.0082 3.0082 3.8567 3.8567 k = 0.6135 0.2171 0.1831 ( 5700 PWs) bands (ev): -39.0539 -39.0539 -15.1971 -15.1971 -14.1850 -14.1850 -13.7247 -13.7247 -10.2133 -10.2133 -1.9695 -1.9695 -1.9632 -1.9632 -1.4814 -1.4814 -1.2317 -1.2317 1.4207 1.4207 1.6509 1.6509 1.9851 1.9851 2.0120 2.0120 2.4997 2.4997 2.8530 2.8530 3.0471 3.0471 3.8656 3.8656 k = 0.6166 0.2257 0.1904 ( 5703 PWs) bands (ev): -39.0538 -39.0538 -15.2035 -15.2035 -14.1665 -14.1665 -13.7327 -13.7327 -10.2096 -10.2096 -1.9920 -1.9920 -1.9890 -1.9890 -1.5213 -1.5213 -1.2854 -1.2854 1.4716 1.4716 1.6625 1.6625 2.0215 2.0215 2.0362 2.0362 2.5088 2.5088 2.8523 2.8523 3.0856 3.0856 3.8745 3.8745 k = 0.6196 0.2344 0.1977 ( 5699 PWs) bands (ev): -39.0537 -39.0537 -15.2102 -15.2102 -14.1481 -14.1481 -13.7403 -13.7403 -10.2056 -10.2056 -2.0182 -2.0182 -2.0102 -2.0102 -1.5592 -1.5592 -1.3371 -1.3371 1.5212 1.5212 1.6725 1.6725 2.0520 2.0520 2.0641 2.0641 2.5180 2.5180 2.8514 2.8514 3.1237 3.1237 3.8834 3.8834 k = 0.6227 0.2430 0.2050 ( 5705 PWs) bands (ev): -39.0536 -39.0536 -15.2172 -15.2172 -14.1298 -14.1298 -13.7476 -13.7476 -10.2012 -10.2012 -2.0440 -2.0440 -2.0306 -2.0306 -1.5955 -1.5955 -1.3867 -1.3867 1.5691 1.5691 1.6809 1.6809 2.0753 2.0753 2.0968 2.0968 2.5273 2.5273 2.8503 2.8503 3.1615 3.1615 3.8923 3.8923 k = 0.6258 0.2517 0.2123 ( 5709 PWs) bands (ev): -39.0535 -39.0535 -15.2245 -15.2245 -14.1116 -14.1116 -13.7545 -13.7545 -10.1965 -10.1965 -2.0688 -2.0688 -2.0507 -2.0507 -1.6304 -1.6304 -1.4338 -1.4338 1.6152 1.6152 1.6876 1.6876 2.0965 2.0965 2.1294 2.1294 2.5367 2.5367 2.8489 2.8489 3.1989 3.1989 3.9012 3.9012 k = 0.6288 0.2604 0.2196 ( 5708 PWs) bands (ev): -39.0534 -39.0534 -15.2320 -15.2320 -14.0936 -14.0936 -13.7609 -13.7609 -10.1915 -10.1915 -2.0927 -2.0927 -2.0702 -2.0702 -1.6644 -1.6644 -1.4778 -1.4778 1.6591 1.6591 1.6926 1.6926 2.1166 2.1166 2.1607 2.1607 2.5463 2.5463 2.8473 2.8473 3.2358 3.2358 3.9101 3.9101 k = 0.6319 0.2690 0.2269 ( 5703 PWs) bands (ev): -39.0533 -39.0533 -15.2399 -15.2399 -14.0758 -14.0758 -13.7670 -13.7670 -10.1862 -10.1862 -2.1155 -2.1155 -2.0892 -2.0892 -1.6980 -1.6980 -1.5183 -1.5183 1.6942 1.6942 1.7024 1.7024 2.1360 2.1360 2.1904 2.1904 2.5561 2.5561 2.8454 2.8454 3.2723 3.2723 3.9189 3.9189 k = 0.6350 0.2777 0.2343 ( 5707 PWs) bands (ev): -39.0532 -39.0532 -15.2481 -15.2481 -14.0582 -14.0582 -13.7726 -13.7726 -10.1806 -10.1806 -2.1373 -2.1373 -2.1074 -2.1074 -1.7317 -1.7317 -1.5548 -1.5548 1.6965 1.6965 1.7406 1.7406 2.1548 2.1548 2.2184 2.2184 2.5659 2.5659 2.8433 2.8433 3.3084 3.3084 3.9277 3.9277 k = 0.6381 0.2864 0.2416 ( 5711 PWs) bands (ev): -39.0531 -39.0531 -15.2566 -15.2566 -14.0407 -14.0407 -13.7777 -13.7777 -10.1748 -10.1748 -2.1582 -2.1582 -2.1247 -2.1247 -1.7659 -1.7659 -1.5870 -1.5870 1.6960 1.6960 1.7770 1.7770 2.1733 2.1733 2.2447 2.2447 2.5757 2.5757 2.8409 2.8409 3.3439 3.3439 3.9364 3.9364 k = 0.6411 0.2950 0.2489 ( 5713 PWs) bands (ev): -39.0531 -39.0531 -15.2655 -15.2655 -14.0235 -14.0235 -13.7824 -13.7824 -10.1687 -10.1687 -2.1779 -2.1779 -2.1411 -2.1411 -1.8007 -1.8007 -1.6146 -1.6146 1.6937 1.6937 1.8104 1.8104 2.1914 2.1914 2.2693 2.2693 2.5854 2.5854 2.8381 2.8381 3.3789 3.3789 3.9450 3.9450 k = 0.6442 0.3037 0.2562 ( 5711 PWs) bands (ev): -39.0530 -39.0530 -15.2747 -15.2747 -14.0065 -14.0065 -13.7865 -13.7865 -10.1623 -10.1623 -2.1966 -2.1966 -2.1564 -2.1564 -1.8361 -1.8361 -1.6378 -1.6378 1.6897 1.6897 1.8405 1.8405 2.2094 2.2094 2.2922 2.2922 2.5949 2.5949 2.8351 2.8351 3.4134 3.4134 3.9536 3.9536 Writing output data file LiNO3.save init_run : 0.13s CPU 0.25s WALL ( 1 calls) electrons : 69.06s CPU 70.42s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 69.05s CPU 70.41s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.00s CPU 0.01s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.05s WALL ( 347 calls) cegterg : 60.03s CPU 60.85s WALL ( 347 calls) Called by sum_band: Called by *egterg: h_psi : 46.07s CPU 46.91s WALL ( 3562 calls) s_psi : 0.85s CPU 0.87s WALL ( 3562 calls) g_psi : 0.16s CPU 0.14s WALL ( 2868 calls) cdiaghg : 13.71s CPU 13.92s WALL ( 3215 calls) cegterg:over : 2.38s CPU 2.37s WALL ( 2868 calls) cegterg:upda : 1.98s CPU 1.96s WALL ( 2868 calls) cegterg:last : 1.44s CPU 1.39s WALL ( 882 calls) cdiaghg:chol : 0.84s CPU 0.80s WALL ( 3215 calls) cdiaghg:inve : 0.40s CPU 0.42s WALL ( 3215 calls) cdiaghg:para : 0.82s CPU 0.79s WALL ( 6430 calls) Called by h_psi: h_psi:vloc : 43.41s CPU 44.17s WALL ( 3562 calls) h_psi:vnl : 2.54s CPU 2.61s WALL ( 3562 calls) add_vuspsi : 0.95s CPU 1.03s WALL ( 3562 calls) General routines calbec : 1.59s CPU 1.58s WALL ( 3562 calls) fft : 0.01s CPU 0.00s WALL ( 15 calls) fftw : 41.29s CPU 42.05s WALL ( 387880 calls) davcio : 0.18s CPU 0.30s WALL ( 694 calls) Parallel routines fft_scatter : 13.84s CPU 14.32s WALL ( 387895 calls) PWSCF : 1m22.74s CPU 1m39.49s WALL This run was terminated on: 20:41:48 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=