Program PWSCF v.5.1.1 starts on 9Oct2015 at 16:45:37 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 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./CdCN2.save/ file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 65 18 5 2003 281 47 Max 66 19 6 2008 301 50 Sum 3165 869 263 96277 13911 2307 bravais-lattice index = 14 lattice parameter (alat) = 9.9464 a.u. unit-cell volume = 353.7885 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 26.00 number of Kohn-Sham states= 34 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.946444 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.774837 celldm(5)= 0.774837 celldm(6)= 0.774837 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.774837 0.632162 0.000000 ) a(3) = ( 0.774837 0.275981 0.568738 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.225694 -0.767608 ) b(2) = ( 0.000000 1.581874 -0.767608 ) b(3) = ( 0.000000 0.000000 1.758280 ) PseudoPot. # 1 for Cd read from file: /home/autes/Pseudo/Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1d41bce1441572f114805845d9d822b0 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1239 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for C read from file: /home/autes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 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: /home/autes/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 Cd 12.00 112.41100 Cd( 1.00) C 4.00 12.01070 C( 1.00) N 5.00 14.00670 N( 1.00) No symmetry 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 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 357 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028011 k( 2) = ( 0.0094340 -0.0115631 -0.0072416), wk = 0.0028011 k( 3) = ( 0.0188679 -0.0231263 -0.0144832), wk = 0.0028011 k( 4) = ( 0.0283019 -0.0346894 -0.0217248), wk = 0.0028011 k( 5) = ( 0.0377359 -0.0462526 -0.0289664), wk = 0.0028011 k( 6) = ( 0.0471698 -0.0578157 -0.0362079), wk = 0.0028011 k( 7) = ( 0.0566038 -0.0693789 -0.0434495), wk = 0.0028011 k( 8) = ( 0.0660377 -0.0809420 -0.0506911), wk = 0.0028011 k( 9) = ( 0.0754717 -0.0925052 -0.0579327), wk = 0.0028011 k( 10) = ( 0.0849057 -0.1040683 -0.0651743), wk = 0.0028011 k( 11) = ( 0.0943396 -0.1156315 -0.0724159), wk = 0.0028011 k( 12) = ( 0.1037736 -0.1271946 -0.0796575), wk = 0.0028011 k( 13) = ( 0.1132076 -0.1387578 -0.0868991), wk = 0.0028011 k( 14) = ( 0.1226415 -0.1503209 -0.0941406), wk = 0.0028011 k( 15) = ( 0.1320755 -0.1618841 -0.1013822), wk = 0.0028011 k( 16) = ( 0.1415094 -0.1734472 -0.1086238), wk = 0.0028011 k( 17) = ( 0.1509434 -0.1850104 -0.1158654), wk = 0.0028011 k( 18) = ( 0.1603774 -0.1965735 -0.1231070), wk = 0.0028011 k( 19) = ( 0.1698113 -0.2081366 -0.1303486), wk = 0.0028011 k( 20) = ( 0.1792453 -0.2196998 -0.1375902), wk = 0.0028011 k( 21) = ( 0.1886792 -0.2312629 -0.1448318), wk = 0.0028011 k( 22) = ( 0.1981132 -0.2428261 -0.1520733), wk = 0.0028011 k( 23) = ( 0.2075472 -0.2543892 -0.1593149), wk = 0.0028011 k( 24) = ( 0.2169811 -0.2659524 -0.1665565), wk = 0.0028011 k( 25) = ( 0.2264151 -0.2775155 -0.1737981), wk = 0.0028011 k( 26) = ( 0.2358491 -0.2890787 -0.1810397), wk = 0.0028011 k( 27) = ( 0.2452830 -0.3006418 -0.1882813), wk = 0.0028011 k( 28) = ( 0.2547170 -0.3122050 -0.1955229), wk = 0.0028011 k( 29) = ( 0.2641509 -0.3237681 -0.2027645), wk = 0.0028011 k( 30) = ( 0.2735849 -0.3353313 -0.2100061), wk = 0.0028011 k( 31) = ( 0.2830189 -0.3468944 -0.2172476), wk = 0.0028011 k( 32) = ( 0.2924528 -0.3584576 -0.2244892), wk = 0.0028011 k( 33) = ( 0.3018868 -0.3700207 -0.2317308), wk = 0.0028011 k( 34) = ( 0.3113207 -0.3815839 -0.2389724), wk = 0.0028011 k( 35) = ( 0.3207547 -0.3931470 -0.2462140), wk = 0.0028011 k( 36) = ( 0.3301887 -0.4047102 -0.2534556), wk = 0.0028011 k( 37) = ( 0.3396226 -0.4162733 -0.2606972), wk = 0.0028011 k( 38) = ( 0.3490566 -0.4278364 -0.2679388), wk = 0.0028011 k( 39) = ( 0.3584906 -0.4393996 -0.2751803), wk = 0.0028011 k( 40) = ( 0.3679245 -0.4509627 -0.2824219), wk = 0.0028011 k( 41) = ( 0.3773585 -0.4625259 -0.2896635), wk = 0.0028011 k( 42) = ( 0.3867925 -0.4740890 -0.2969051), wk = 0.0028011 k( 43) = ( 0.3962264 -0.4856522 -0.3041467), wk = 0.0028011 k( 44) = ( 0.4056604 -0.4972153 -0.3113883), wk = 0.0028011 k( 45) = ( 0.4150943 -0.5087785 -0.3186299), wk = 0.0028011 k( 46) = ( 0.4245283 -0.5203416 -0.3258715), wk = 0.0028011 k( 47) = ( 0.4339623 -0.5319048 -0.3331130), wk = 0.0028011 k( 48) = ( 0.4433962 -0.5434679 -0.3403546), wk = 0.0028011 k( 49) = ( 0.4528302 -0.5550311 -0.3475962), wk = 0.0028011 k( 50) = ( 0.4622641 -0.5665942 -0.3548378), wk = 0.0028011 k( 51) = ( 0.4716981 -0.5781574 -0.3620794), wk = 0.0028011 k( 52) = ( 0.4811321 -0.5897205 -0.3693210), wk = 0.0028011 k( 53) = ( 0.4905660 -0.6012837 -0.3765626), wk = 0.0028011 k( 54) = ( 0.5000000 -0.6128468 -0.3838042), wk = 0.0028011 k( 55) = ( 0.5000000 -0.6128468 -0.3838042), wk = 0.0028011 k( 56) = ( 0.5000000 -0.6039836 -0.3979566), wk = 0.0028011 k( 57) = ( 0.5000000 -0.5951204 -0.4121091), wk = 0.0028011 k( 58) = ( 0.5000000 -0.5862573 -0.4262615), wk = 0.0028011 k( 59) = ( 0.5000000 -0.5773941 -0.4404140), wk = 0.0028011 k( 60) = ( 0.5000000 -0.5685309 -0.4545664), wk = 0.0028011 k( 61) = ( 0.5000000 -0.5596677 -0.4687189), wk = 0.0028011 k( 62) = ( 0.5000000 -0.5508046 -0.4828713), wk = 0.0028011 k( 63) = ( 0.5000000 -0.5419414 -0.4970237), wk = 0.0028011 k( 64) = ( 0.5000000 -0.5330782 -0.5111762), wk = 0.0028011 k( 65) = ( 0.5000000 -0.5242151 -0.5253286), wk = 0.0028011 k( 66) = ( 0.5000000 -0.5153519 -0.5394811), wk = 0.0028011 k( 67) = ( 0.5000000 -0.5064887 -0.5536335), wk = 0.0028011 k( 68) = ( 0.5000000 -0.4976255 -0.5677860), wk = 0.0028011 k( 69) = ( 0.5000000 -0.4887624 -0.5819384), wk = 0.0028011 k( 70) = ( 0.5000000 -0.4798992 -0.5960909), wk = 0.0028011 k( 71) = ( 0.5000000 -0.4710360 -0.6102433), wk = 0.0028011 k( 72) = ( 0.5000000 -0.4621728 -0.6243958), wk = 0.0028011 k( 73) = ( 0.5000000 -0.4533097 -0.6385482), wk = 0.0028011 k( 74) = ( 0.5000000 -0.4444465 -0.6527007), wk = 0.0028011 k( 75) = ( 0.5000000 -0.4355833 -0.6668531), wk = 0.0028011 k( 76) = ( 0.5000000 -0.4267201 -0.6810056), wk = 0.0028011 k( 77) = ( 0.5000000 -0.4178569 -0.6951580), wk = 0.0028011 k( 78) = ( 0.5000000 -0.4089938 -0.7093104), wk = 0.0028011 k( 79) = ( 0.5000000 -0.4001306 -0.7234629), wk = 0.0028011 k( 80) = ( 0.5000000 -0.3912674 -0.7376153), wk = 0.0028011 k( 81) = ( 0.5000000 -0.3824043 -0.7517678), wk = 0.0028011 k( 82) = ( 0.5000000 -0.3735411 -0.7659202), wk = 0.0028011 k( 83) = ( 0.5000000 -0.3646779 -0.7800727), wk = 0.0028011 k( 84) = ( 0.5000000 -0.3558147 -0.7942251), wk = 0.0028011 k( 85) = ( 0.5000000 -0.3469516 -0.8083776), wk = 0.0028011 k( 86) = ( 0.5000000 -0.3380884 -0.8225300), wk = 0.0028011 k( 87) = ( 0.5000000 -0.3292252 -0.8366825), wk = 0.0028011 k( 88) = ( 0.5000000 -0.3203620 -0.8508349), wk = 0.0028011 k( 89) = ( 0.5000000 -0.3114989 -0.8649874), wk = 0.0028011 k( 90) = ( 0.5000000 -0.3026357 -0.8791398), wk = 0.0028011 k( 91) = ( 0.8038964 -0.1943938 -0.6560768), wk = 0.0028011 k( 92) = ( 0.7983710 -0.1876213 -0.6421203), wk = 0.0028011 k( 93) = ( 0.7928456 -0.1808489 -0.6281638), wk = 0.0028011 k( 94) = ( 0.7873203 -0.1740765 -0.6142073), wk = 0.0028011 k( 95) = ( 0.7817949 -0.1673041 -0.6002508), wk = 0.0028011 k( 96) = ( 0.7762695 -0.1605316 -0.5862943), wk = 0.0028011 k( 97) = ( 0.7707441 -0.1537592 -0.5723377), wk = 0.0028011 k( 98) = ( 0.7652187 -0.1469867 -0.5583812), wk = 0.0028011 k( 99) = ( 0.7596933 -0.1402143 -0.5444247), wk = 0.0028011 k( 100) = ( 0.7541679 -0.1334419 -0.5304682), wk = 0.0028011 k( 101) = ( 0.7486425 -0.1266694 -0.5165117), wk = 0.0028011 k( 102) = ( 0.7431171 -0.1198970 -0.5025552), wk = 0.0028011 k( 103) = ( 0.7375917 -0.1131246 -0.4885986), wk = 0.0028011 k( 104) = ( 0.7320664 -0.1063521 -0.4746421), wk = 0.0028011 k( 105) = ( 0.7265410 -0.0995797 -0.4606856), wk = 0.0028011 k( 106) = ( 0.7210156 -0.0928073 -0.4467291), wk = 0.0028011 k( 107) = ( 0.7154902 -0.0860348 -0.4327726), wk = 0.0028011 k( 108) = ( 0.7099648 -0.0792624 -0.4188161), wk = 0.0028011 k( 109) = ( 0.7044394 -0.0724900 -0.4048595), wk = 0.0028011 k( 110) = ( 0.6989140 -0.0657175 -0.3909030), wk = 0.0028011 k( 111) = ( 0.6933886 -0.0589451 -0.3769465), wk = 0.0028011 k( 112) = ( 0.6878632 -0.0521727 -0.3629900), wk = 0.0028011 k( 113) = ( 0.6823379 -0.0454002 -0.3490335), wk = 0.0028011 k( 114) = ( 0.6768125 -0.0386278 -0.3350770), wk = 0.0028011 k( 115) = ( 0.6712871 -0.0318554 -0.3211204), wk = 0.0028011 k( 116) = ( 0.6657617 -0.0250829 -0.3071640), wk = 0.0028011 k( 117) = ( 0.6602363 -0.0183105 -0.2932074), wk = 0.0028011 k( 118) = ( 0.6547109 -0.0115381 -0.2792509), wk = 0.0028011 k( 119) = ( 0.6491855 -0.0047656 -0.2652944), wk = 0.0028011 k( 120) = ( 0.6436601 0.0020068 -0.2513379), wk = 0.0028011 k( 121) = ( 0.6381347 0.0087792 -0.2373814), wk = 0.0028011 k( 122) = ( 0.6326093 0.0155517 -0.2234249), wk = 0.0028011 k( 123) = ( 0.6270840 0.0223241 -0.2094683), wk = 0.0028011 k( 124) = ( 0.6215586 0.0290966 -0.1955118), wk = 0.0028011 k( 125) = ( 0.6160332 0.0358690 -0.1815553), wk = 0.0028011 k( 126) = ( 0.6105078 0.0426414 -0.1675988), wk = 0.0028011 k( 127) = ( 0.6049824 0.0494139 -0.1536423), wk = 0.0028011 k( 128) = ( 0.5994570 0.0561863 -0.1396858), wk = 0.0028011 k( 129) = ( 0.5939316 0.0629587 -0.1257292), wk = 0.0028011 k( 130) = ( 0.5884062 0.0697312 -0.1117727), wk = 0.0028011 k( 131) = ( 0.5828808 0.0765036 -0.0978162), wk = 0.0028011 k( 132) = ( 0.5773554 0.0832760 -0.0838597), wk = 0.0028011 k( 133) = ( 0.5718301 0.0900485 -0.0699032), wk = 0.0028011 k( 134) = ( 0.5663047 0.0968209 -0.0559467), wk = 0.0028011 k( 135) = ( 0.5607793 0.1035933 -0.0419901), wk = 0.0028011 k( 136) = ( 0.5552539 0.1103658 -0.0280337), wk = 0.0028011 k( 137) = ( 0.5497285 0.1171382 -0.0140771), wk = 0.0028011 k( 138) = ( 0.5442031 0.1239106 -0.0001206), wk = 0.0028011 k( 139) = ( 0.5386777 0.1306831 0.0138359), wk = 0.0028011 k( 140) = ( 0.5331523 0.1374555 0.0277924), wk = 0.0028011 k( 141) = ( 0.5276270 0.1442279 0.0417489), wk = 0.0028011 k( 142) = ( 0.5221016 0.1510004 0.0557054), wk = 0.0028011 k( 143) = ( 0.5165762 0.1577728 0.0696620), wk = 0.0028011 k( 144) = ( 0.5110508 0.1645452 0.0836185), wk = 0.0028011 k( 145) = ( 0.5055254 0.1713177 0.0975750), wk = 0.0028011 k( 146) = ( 0.5000000 0.1780901 0.1115315), wk = 0.0028011 k( 147) = ( 0.5000000 0.1780901 0.1115315), wk = 0.0028011 k( 148) = ( 0.4848485 0.1726934 0.1081518), wk = 0.0028011 k( 149) = ( 0.4696970 0.1672968 0.1047720), wk = 0.0028011 k( 150) = ( 0.4545455 0.1619001 0.1013923), wk = 0.0028011 k( 151) = ( 0.4393939 0.1565034 0.0980125), wk = 0.0028011 k( 152) = ( 0.4242424 0.1511068 0.0946328), wk = 0.0028011 k( 153) = ( 0.4090909 0.1457101 0.0912531), wk = 0.0028011 k( 154) = ( 0.3939394 0.1403134 0.0878733), wk = 0.0028011 k( 155) = ( 0.3787879 0.1349168 0.0844936), wk = 0.0028011 k( 156) = ( 0.3636364 0.1295201 0.0811138), wk = 0.0028011 k( 157) = ( 0.3484849 0.1241234 0.0777341), wk = 0.0028011 k( 158) = ( 0.3333333 0.1187267 0.0743543), wk = 0.0028011 k( 159) = ( 0.3181818 0.1133301 0.0709746), wk = 0.0028011 k( 160) = ( 0.3030303 0.1079334 0.0675949), wk = 0.0028011 k( 161) = ( 0.2878788 0.1025367 0.0642151), wk = 0.0028011 k( 162) = ( 0.2727273 0.0971401 0.0608354), wk = 0.0028011 k( 163) = ( 0.2575758 0.0917434 0.0574556), wk = 0.0028011 k( 164) = ( 0.2424242 0.0863467 0.0540759), wk = 0.0028011 k( 165) = ( 0.2272727 0.0809501 0.0506961), wk = 0.0028011 k( 166) = ( 0.2121212 0.0755534 0.0473164), wk = 0.0028011 k( 167) = ( 0.1969697 0.0701567 0.0439367), wk = 0.0028011 k( 168) = ( 0.1818182 0.0647600 0.0405569), wk = 0.0028011 k( 169) = ( 0.1666667 0.0593634 0.0371772), wk = 0.0028011 k( 170) = ( 0.1515151 0.0539667 0.0337974), wk = 0.0028011 k( 171) = ( 0.1363636 0.0485700 0.0304177), wk = 0.0028011 k( 172) = ( 0.1212121 0.0431734 0.0270379), wk = 0.0028011 k( 173) = ( 0.1060606 0.0377767 0.0236582), wk = 0.0028011 k( 174) = ( 0.0909091 0.0323800 0.0202785), wk = 0.0028011 k( 175) = ( 0.0757576 0.0269834 0.0168987), wk = 0.0028011 k( 176) = ( 0.0606061 0.0215867 0.0135190), wk = 0.0028011 k( 177) = ( 0.0454546 0.0161900 0.0101392), wk = 0.0028011 k( 178) = ( 0.0303030 0.0107933 0.0067595), wk = 0.0028011 k( 179) = ( 0.0151515 0.0053967 0.0033797), wk = 0.0028011 k( 180) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028011 k( 181) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028011 k( 182) = ( 0.0056137 -0.0068807 -0.0141797), wk = 0.0028011 k( 183) = ( 0.0112275 -0.0137615 -0.0283594), wk = 0.0028011 k( 184) = ( 0.0168412 -0.0206422 -0.0425390), wk = 0.0028011 k( 185) = ( 0.0224550 -0.0275229 -0.0567187), wk = 0.0028011 k( 186) = ( 0.0280687 -0.0344036 -0.0708984), wk = 0.0028011 k( 187) = ( 0.0336824 -0.0412843 -0.0850780), wk = 0.0028011 k( 188) = ( 0.0392962 -0.0481651 -0.0992577), wk = 0.0028011 k( 189) = ( 0.0449099 -0.0550458 -0.1134374), wk = 0.0028011 k( 190) = ( 0.0505237 -0.0619265 -0.1276171), wk = 0.0028011 k( 191) = ( 0.0561374 -0.0688072 -0.1417968), wk = 0.0028011 k( 192) = ( 0.0617511 -0.0756880 -0.1559764), wk = 0.0028011 k( 193) = ( 0.0673649 -0.0825687 -0.1701561), wk = 0.0028011 k( 194) = ( 0.0729786 -0.0894494 -0.1843358), wk = 0.0028011 k( 195) = ( 0.0785923 -0.0963301 -0.1985154), wk = 0.0028011 k( 196) = ( 0.0842061 -0.1032109 -0.2126951), wk = 0.0028011 k( 197) = ( 0.0898198 -0.1100916 -0.2268748), wk = 0.0028011 k( 198) = ( 0.0954336 -0.1169723 -0.2410545), wk = 0.0028011 k( 199) = ( 0.1010473 -0.1238530 -0.2552341), wk = 0.0028011 k( 200) = ( 0.1066610 -0.1307337 -0.2694138), wk = 0.0028011 k( 201) = ( 0.1122748 -0.1376145 -0.2835935), wk = 0.0028011 k( 202) = ( 0.1178885 -0.1444952 -0.2977732), wk = 0.0028011 k( 203) = ( 0.1235022 -0.1513759 -0.3119528), wk = 0.0028011 k( 204) = ( 0.1291160 -0.1582566 -0.3261325), wk = 0.0028011 k( 205) = ( 0.1347297 -0.1651374 -0.3403122), wk = 0.0028011 k( 206) = ( 0.1403435 -0.1720181 -0.3544919), wk = 0.0028011 k( 207) = ( 0.1459572 -0.1788988 -0.3686715), wk = 0.0028011 k( 208) = ( 0.1515709 -0.1857795 -0.3828512), wk = 0.0028011 k( 209) = ( 0.1571847 -0.1926603 -0.3970309), wk = 0.0028011 k( 210) = ( 0.1627984 -0.1995410 -0.4112106), wk = 0.0028011 k( 211) = ( 0.1684122 -0.2064217 -0.4253902), wk = 0.0028011 k( 212) = ( 0.1740259 -0.2133024 -0.4395699), wk = 0.0028011 k( 213) = ( 0.1796396 -0.2201831 -0.4537496), wk = 0.0028011 k( 214) = ( 0.1852534 -0.2270639 -0.4679293), wk = 0.0028011 k( 215) = ( 0.1908671 -0.2339446 -0.4821089), wk = 0.0028011 k( 216) = ( 0.1964809 -0.2408253 -0.4962886), wk = 0.0028011 k( 217) = ( 0.2020946 -0.2477060 -0.5104683), wk = 0.0028011 k( 218) = ( 0.2077083 -0.2545868 -0.5246480), wk = 0.0028011 k( 219) = ( 0.2133221 -0.2614675 -0.5388276), wk = 0.0028011 k( 220) = ( 0.2189358 -0.2683482 -0.5530073), wk = 0.0028011 k( 221) = ( 0.2245495 -0.2752289 -0.5671870), wk = 0.0028011 k( 222) = ( 0.2301633 -0.2821097 -0.5813667), wk = 0.0028011 k( 223) = ( 0.2357770 -0.2889904 -0.5955463), wk = 0.0028011 k( 224) = ( 0.2413908 -0.2958711 -0.6097260), wk = 0.0028011 k( 225) = ( 0.2470045 -0.3027518 -0.6239057), wk = 0.0028011 k( 226) = ( 0.2526182 -0.3096325 -0.6380853), wk = 0.0028011 k( 227) = ( 0.2582320 -0.3165133 -0.6522650), wk = 0.0028011 k( 228) = ( 0.2638457 -0.3233940 -0.6664447), wk = 0.0028011 k( 229) = ( 0.2694594 -0.3302747 -0.6806244), wk = 0.0028011 k( 230) = ( 0.2750732 -0.3371554 -0.6948041), wk = 0.0028011 k( 231) = ( 0.2806869 -0.3440362 -0.7089837), wk = 0.0028011 k( 232) = ( 0.2863007 -0.3509169 -0.7231634), wk = 0.0028011 k( 233) = ( 0.2919144 -0.3577976 -0.7373431), wk = 0.0028011 k( 234) = ( 0.2975281 -0.3646783 -0.7515227), wk = 0.0028011 k( 235) = ( 0.3031419 -0.3715591 -0.7657024), wk = 0.0028011 k( 236) = ( 0.3087556 -0.3784398 -0.7798821), wk = 0.0028011 k( 237) = ( 0.3143694 -0.3853205 -0.7940618), wk = 0.0028011 k( 238) = ( 0.3199831 -0.3922012 -0.8082415), wk = 0.0028011 k( 239) = ( 0.3255968 -0.3990820 -0.8224211), wk = 0.0028011 k( 240) = ( 0.3312106 -0.4059627 -0.8366008), wk = 0.0028011 k( 241) = ( 0.3368243 -0.4128434 -0.8507805), wk = 0.0028011 k( 242) = ( 0.3424380 -0.4197241 -0.8649602), wk = 0.0028011 k( 243) = ( 0.3480518 -0.4266049 -0.8791398), wk = 0.0028011 k( 244) = ( 0.6519482 -0.2485147 -0.7676083), wk = 0.0028011 k( 245) = ( 0.6465215 -0.2332788 -0.7676083), wk = 0.0028011 k( 246) = ( 0.6410948 -0.2180430 -0.7676083), wk = 0.0028011 k( 247) = ( 0.6356681 -0.2028071 -0.7676083), wk = 0.0028011 k( 248) = ( 0.6302413 -0.1875712 -0.7676083), wk = 0.0028011 k( 249) = ( 0.6248146 -0.1723353 -0.7676083), wk = 0.0028011 k( 250) = ( 0.6193879 -0.1570994 -0.7676083), wk = 0.0028011 k( 251) = ( 0.6139612 -0.1418635 -0.7676083), wk = 0.0028011 k( 252) = ( 0.6085344 -0.1266276 -0.7676083), wk = 0.0028011 k( 253) = ( 0.6031077 -0.1113918 -0.7676083), wk = 0.0028011 k( 254) = ( 0.5976810 -0.0961559 -0.7676083), wk = 0.0028011 k( 255) = ( 0.5922543 -0.0809200 -0.7676083), wk = 0.0028011 k( 256) = ( 0.5868275 -0.0656841 -0.7676083), wk = 0.0028011 k( 257) = ( 0.5814008 -0.0504482 -0.7676083), wk = 0.0028011 k( 258) = ( 0.5759741 -0.0352123 -0.7676083), wk = 0.0028011 k( 259) = ( 0.5705474 -0.0199764 -0.7676083), wk = 0.0028011 k( 260) = ( 0.5651207 -0.0047405 -0.7676083), wk = 0.0028011 k( 261) = ( 0.5596939 0.0104954 -0.7676083), wk = 0.0028011 k( 262) = ( 0.5542672 0.0257312 -0.7676083), wk = 0.0028011 k( 263) = ( 0.5488405 0.0409671 -0.7676083), wk = 0.0028011 k( 264) = ( 0.5434138 0.0562030 -0.7676083), wk = 0.0028011 k( 265) = ( 0.5379871 0.0714389 -0.7676083), wk = 0.0028011 k( 266) = ( 0.5325603 0.0866748 -0.7676083), wk = 0.0028011 k( 267) = ( 0.5271336 0.1019107 -0.7676083), wk = 0.0028011 k( 268) = ( 0.5217069 0.1171466 -0.7676083), wk = 0.0028011 k( 269) = ( 0.5162802 0.1323824 -0.7676083), wk = 0.0028011 k( 270) = ( 0.5108534 0.1476183 -0.7676083), wk = 0.0028011 k( 271) = ( 0.5054267 0.1628542 -0.7676083), wk = 0.0028011 k( 272) = ( 0.5000000 0.1780901 -0.7676083), wk = 0.0028011 k( 273) = ( 0.5000000 0.1780901 -0.7676083), wk = 0.0028011 k( 274) = ( 0.5126624 0.1826002 -0.7583140), wk = 0.0028011 k( 275) = ( 0.5253247 0.1871103 -0.7490197), wk = 0.0028011 k( 276) = ( 0.5379871 0.1916203 -0.7397254), wk = 0.0028011 k( 277) = ( 0.5506494 0.1961304 -0.7304311), wk = 0.0028011 k( 278) = ( 0.5633117 0.2006405 -0.7211369), wk = 0.0028011 k( 279) = ( 0.5759741 0.2051506 -0.7118426), wk = 0.0028011 k( 280) = ( 0.5886365 0.2096607 -0.7025483), wk = 0.0028011 k( 281) = ( 0.6012988 0.2141707 -0.6932540), wk = 0.0028011 k( 282) = ( 0.6139612 0.2186808 -0.6839597), wk = 0.0028011 k( 283) = ( 0.6266235 0.2231909 -0.6746654), wk = 0.0028011 k( 284) = ( 0.6392859 0.2277010 -0.6653711), wk = 0.0028011 k( 285) = ( 0.6519482 0.2322111 -0.6560768), wk = 0.0028011 k( 286) = ( 0.6519482 0.2322111 -0.6560768), wk = 0.0028011 k( 287) = ( 0.6487153 0.2310596 -0.6397447), wk = 0.0028011 k( 288) = ( 0.6454823 0.2299080 -0.6234126), wk = 0.0028011 k( 289) = ( 0.6422494 0.2287565 -0.6070805), wk = 0.0028011 k( 290) = ( 0.6390164 0.2276050 -0.5907485), wk = 0.0028011 k( 291) = ( 0.6357835 0.2264535 -0.5744164), wk = 0.0028011 k( 292) = ( 0.6325506 0.2253020 -0.5580843), wk = 0.0028011 k( 293) = ( 0.6293176 0.2241505 -0.5417522), wk = 0.0028011 k( 294) = ( 0.6260847 0.2229990 -0.5254201), wk = 0.0028011 k( 295) = ( 0.6228518 0.2218475 -0.5090880), wk = 0.0028011 k( 296) = ( 0.6196188 0.2206960 -0.4927559), wk = 0.0028011 k( 297) = ( 0.6163859 0.2195445 -0.4764238), wk = 0.0028011 k( 298) = ( 0.6131529 0.2183929 -0.4600917), wk = 0.0028011 k( 299) = ( 0.6099200 0.2172414 -0.4437596), wk = 0.0028011 k( 300) = ( 0.6066870 0.2160899 -0.4274275), wk = 0.0028011 k( 301) = ( 0.6034541 0.2149384 -0.4110954), wk = 0.0028011 k( 302) = ( 0.6002212 0.2137869 -0.3947633), wk = 0.0028011 k( 303) = ( 0.5969882 0.2126354 -0.3784313), wk = 0.0028011 k( 304) = ( 0.5937553 0.2114839 -0.3620992), wk = 0.0028011 k( 305) = ( 0.5905223 0.2103324 -0.3457671), wk = 0.0028011 k( 306) = ( 0.5872894 0.2091809 -0.3294350), wk = 0.0028011 k( 307) = ( 0.5840565 0.2080294 -0.3131029), wk = 0.0028011 k( 308) = ( 0.5808235 0.2068779 -0.2967708), wk = 0.0028011 k( 309) = ( 0.5775906 0.2057263 -0.2804387), wk = 0.0028011 k( 310) = ( 0.5743576 0.2045748 -0.2641066), wk = 0.0028011 k( 311) = ( 0.5711247 0.2034233 -0.2477745), wk = 0.0028011 k( 312) = ( 0.5678918 0.2022718 -0.2314424), wk = 0.0028011 k( 313) = ( 0.5646588 0.2011203 -0.2151103), wk = 0.0028011 k( 314) = ( 0.5614259 0.1999688 -0.1987782), wk = 0.0028011 k( 315) = ( 0.5581929 0.1988173 -0.1824461), wk = 0.0028011 k( 316) = ( 0.5549600 0.1976658 -0.1661140), wk = 0.0028011 k( 317) = ( 0.5517270 0.1965143 -0.1497820), wk = 0.0028011 k( 318) = ( 0.5484941 0.1953628 -0.1334499), wk = 0.0028011 k( 319) = ( 0.5452612 0.1942112 -0.1171178), wk = 0.0028011 k( 320) = ( 0.5420282 0.1930597 -0.1007857), wk = 0.0028011 k( 321) = ( 0.5387953 0.1919082 -0.0844536), wk = 0.0028011 k( 322) = ( 0.5355623 0.1907567 -0.0681215), wk = 0.0028011 k( 323) = ( 0.5323294 0.1896052 -0.0517894), wk = 0.0028011 k( 324) = ( 0.5290965 0.1884537 -0.0354573), wk = 0.0028011 k( 325) = ( 0.5258635 0.1873022 -0.0191252), wk = 0.0028011 k( 326) = ( 0.5226306 0.1861507 -0.0027931), wk = 0.0028011 k( 327) = ( 0.5193976 0.1849992 0.0135390), wk = 0.0028011 k( 328) = ( 0.5161647 0.1838477 0.0298710), wk = 0.0028011 k( 329) = ( 0.5129318 0.1826962 0.0462031), wk = 0.0028011 k( 330) = ( 0.5096988 0.1815446 0.0625352), wk = 0.0028011 k( 331) = ( 0.5064659 0.1803931 0.0788673), wk = 0.0028011 k( 332) = ( 0.5032329 0.1792416 0.0951994), wk = 0.0028011 k( 333) = ( 0.5000000 0.1780901 0.1115315), wk = 0.0028011 k( 334) = ( 0.5000000 -0.6128468 -0.3838042), wk = 0.0028011 k( 335) = ( 0.5132129 -0.6051037 -0.3789550), wk = 0.0028011 k( 336) = ( 0.5264258 -0.5973607 -0.3741058), wk = 0.0028011 k( 337) = ( 0.5396387 -0.5896176 -0.3692566), wk = 0.0028011 k( 338) = ( 0.5528515 -0.5818746 -0.3644074), wk = 0.0028011 k( 339) = ( 0.5660644 -0.5741316 -0.3595582), wk = 0.0028011 k( 340) = ( 0.5792773 -0.5663885 -0.3547090), wk = 0.0028011 k( 341) = ( 0.5924902 -0.5586455 -0.3498598), wk = 0.0028011 k( 342) = ( 0.6057031 -0.5509024 -0.3450106), wk = 0.0028011 k( 343) = ( 0.6189160 -0.5431594 -0.3401614), wk = 0.0028011 k( 344) = ( 0.6321289 -0.5354163 -0.3353122), wk = 0.0028011 k( 345) = ( 0.6453418 -0.5276733 -0.3304630), wk = 0.0028011 k( 346) = ( 0.6585547 -0.5199302 -0.3256138), wk = 0.0028011 k( 347) = ( 0.6717675 -0.5121872 -0.3207646), wk = 0.0028011 k( 348) = ( 0.6849804 -0.5044441 -0.3159154), wk = 0.0028011 k( 349) = ( 0.6981933 -0.4967011 -0.3110662), wk = 0.0028011 k( 350) = ( 0.7114062 -0.4889580 -0.3062170), wk = 0.0028011 k( 351) = ( 0.7246191 -0.4812150 -0.3013678), wk = 0.0028011 k( 352) = ( 0.7378320 -0.4734719 -0.2965186), wk = 0.0028011 k( 353) = ( 0.7510449 -0.4657289 -0.2916694), wk = 0.0028011 k( 354) = ( 0.7642578 -0.4579858 -0.2868202), wk = 0.0028011 k( 355) = ( 0.7774707 -0.4502428 -0.2819710), wk = 0.0028011 k( 356) = ( 0.7906835 -0.4424997 -0.2771219), wk = 0.0028011 k( 357) = ( 0.8038964 -0.4347567 -0.2722726), wk = 0.0028011 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028011 k( 2) = ( 0.0094340 0.0000000 0.0000000), wk = 0.0028011 k( 3) = ( 0.0188679 0.0000000 0.0000000), wk = 0.0028011 k( 4) = ( 0.0283019 0.0000000 0.0000000), wk = 0.0028011 k( 5) = ( 0.0377359 0.0000000 0.0000000), wk = 0.0028011 k( 6) = ( 0.0471698 0.0000000 -0.0000000), wk = 0.0028011 k( 7) = ( 0.0566038 0.0000000 0.0000000), wk = 0.0028011 k( 8) = ( 0.0660377 0.0000000 0.0000000), wk = 0.0028011 k( 9) = ( 0.0754717 0.0000000 0.0000000), wk = 0.0028011 k( 10) = ( 0.0849057 0.0000000 0.0000000), wk = 0.0028011 k( 11) = ( 0.0943396 0.0000000 -0.0000000), wk = 0.0028011 k( 12) = ( 0.1037736 -0.0000000 0.0000000), wk = 0.0028011 k( 13) = ( 0.1132076 0.0000000 0.0000000), wk = 0.0028011 k( 14) = ( 0.1226415 0.0000000 0.0000000), wk = 0.0028011 k( 15) = ( 0.1320755 0.0000000 0.0000000), wk = 0.0028011 k( 16) = ( 0.1415094 0.0000000 -0.0000000), wk = 0.0028011 k( 17) = ( 0.1509434 0.0000000 0.0000000), wk = 0.0028011 k( 18) = ( 0.1603774 0.0000000 0.0000000), wk = 0.0028011 k( 19) = ( 0.1698113 0.0000000 0.0000000), wk = 0.0028011 k( 20) = ( 0.1792453 0.0000000 0.0000000), wk = 0.0028011 k( 21) = ( 0.1886792 0.0000000 0.0000000), wk = 0.0028011 k( 22) = ( 0.1981132 0.0000000 -0.0000000), wk = 0.0028011 k( 23) = ( 0.2075472 0.0000000 0.0000000), wk = 0.0028011 k( 24) = ( 0.2169811 0.0000000 -0.0000000), wk = 0.0028011 k( 25) = ( 0.2264151 0.0000000 0.0000000), wk = 0.0028011 k( 26) = ( 0.2358491 0.0000000 0.0000000), wk = 0.0028011 k( 27) = ( 0.2452830 0.0000000 0.0000000), wk = 0.0028011 k( 28) = ( 0.2547170 0.0000000 0.0000000), wk = 0.0028011 k( 29) = ( 0.2641509 0.0000000 0.0000000), wk = 0.0028011 k( 30) = ( 0.2735849 0.0000000 0.0000000), wk = 0.0028011 k( 31) = ( 0.2830189 0.0000000 0.0000000), wk = 0.0028011 k( 32) = ( 0.2924528 0.0000000 0.0000000), wk = 0.0028011 k( 33) = ( 0.3018868 0.0000000 0.0000000), wk = 0.0028011 k( 34) = ( 0.3113207 0.0000000 0.0000000), wk = 0.0028011 k( 35) = ( 0.3207547 0.0000000 0.0000000), wk = 0.0028011 k( 36) = ( 0.3301887 0.0000000 0.0000000), wk = 0.0028011 k( 37) = ( 0.3396226 0.0000000 0.0000000), wk = 0.0028011 k( 38) = ( 0.3490566 0.0000000 0.0000000), wk = 0.0028011 k( 39) = ( 0.3584906 0.0000000 -0.0000000), wk = 0.0028011 k( 40) = ( 0.3679245 0.0000000 0.0000000), wk = 0.0028011 k( 41) = ( 0.3773585 0.0000000 -0.0000000), wk = 0.0028011 k( 42) = ( 0.3867925 0.0000000 0.0000000), wk = 0.0028011 k( 43) = ( 0.3962264 0.0000000 -0.0000000), wk = 0.0028011 k( 44) = ( 0.4056604 0.0000000 0.0000000), wk = 0.0028011 k( 45) = ( 0.4150943 0.0000000 0.0000000), wk = 0.0028011 k( 46) = ( 0.4245283 0.0000000 0.0000000), wk = 0.0028011 k( 47) = ( 0.4339623 0.0000000 -0.0000000), wk = 0.0028011 k( 48) = ( 0.4433962 0.0000000 0.0000000), wk = 0.0028011 k( 49) = ( 0.4528302 0.0000000 0.0000000), wk = 0.0028011 k( 50) = ( 0.4622641 0.0000000 0.0000000), wk = 0.0028011 k( 51) = ( 0.4716981 0.0000000 0.0000000), wk = 0.0028011 k( 52) = ( 0.4811321 0.0000000 0.0000000), wk = 0.0028011 k( 53) = ( 0.4905660 0.0000000 0.0000000), wk = 0.0028011 k( 54) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0028011 k( 55) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0028011 k( 56) = ( 0.5000000 0.0056030 -0.0056030), wk = 0.0028011 k( 57) = ( 0.5000000 0.0112059 -0.0112059), wk = 0.0028011 k( 58) = ( 0.5000000 0.0168089 -0.0168089), wk = 0.0028011 k( 59) = ( 0.5000000 0.0224118 -0.0224118), wk = 0.0028011 k( 60) = ( 0.5000000 0.0280148 -0.0280148), wk = 0.0028011 k( 61) = ( 0.5000000 0.0336178 -0.0336178), wk = 0.0028011 k( 62) = ( 0.5000000 0.0392207 -0.0392207), wk = 0.0028011 k( 63) = ( 0.5000000 0.0448237 -0.0448237), wk = 0.0028011 k( 64) = ( 0.5000000 0.0504266 -0.0504266), wk = 0.0028011 k( 65) = ( 0.5000000 0.0560296 -0.0560296), wk = 0.0028011 k( 66) = ( 0.5000000 0.0616326 -0.0616326), wk = 0.0028011 k( 67) = ( 0.5000000 0.0672355 -0.0672355), wk = 0.0028011 k( 68) = ( 0.5000000 0.0728385 -0.0728385), wk = 0.0028011 k( 69) = ( 0.5000000 0.0784414 -0.0784414), wk = 0.0028011 k( 70) = ( 0.5000000 0.0840444 -0.0840444), wk = 0.0028011 k( 71) = ( 0.5000000 0.0896474 -0.0896474), wk = 0.0028011 k( 72) = ( 0.5000000 0.0952503 -0.0952503), wk = 0.0028011 k( 73) = ( 0.5000000 0.1008533 -0.1008533), wk = 0.0028011 k( 74) = ( 0.5000000 0.1064562 -0.1064562), wk = 0.0028011 k( 75) = ( 0.5000000 0.1120592 -0.1120592), wk = 0.0028011 k( 76) = ( 0.5000000 0.1176621 -0.1176622), wk = 0.0028011 k( 77) = ( 0.5000000 0.1232651 -0.1232651), wk = 0.0028011 k( 78) = ( 0.5000000 0.1288681 -0.1288681), wk = 0.0028011 k( 79) = ( 0.5000000 0.1344710 -0.1344710), wk = 0.0028011 k( 80) = ( 0.5000000 0.1400740 -0.1400740), wk = 0.0028011 k( 81) = ( 0.5000000 0.1456769 -0.1456769), wk = 0.0028011 k( 82) = ( 0.5000000 0.1512799 -0.1512799), wk = 0.0028011 k( 83) = ( 0.5000000 0.1568829 -0.1568829), wk = 0.0028011 k( 84) = ( 0.5000000 0.1624858 -0.1624858), wk = 0.0028011 k( 85) = ( 0.5000000 0.1680888 -0.1680888), wk = 0.0028011 k( 86) = ( 0.5000000 0.1736917 -0.1736917), wk = 0.0028011 k( 87) = ( 0.5000000 0.1792947 -0.1792947), wk = 0.0028011 k( 88) = ( 0.5000000 0.1848977 -0.1848977), wk = 0.0028011 k( 89) = ( 0.5000000 0.1905006 -0.1905006), wk = 0.0028011 k( 90) = ( 0.5000000 0.1961036 -0.1961036), wk = 0.0028011 k( 91) = ( 0.8038964 0.5000000 0.1961036), wk = 0.0028011 k( 92) = ( 0.7983710 0.5000000 0.2016290), wk = 0.0028011 k( 93) = ( 0.7928456 0.5000000 0.2071544), wk = 0.0028011 k( 94) = ( 0.7873203 0.5000000 0.2126798), wk = 0.0028011 k( 95) = ( 0.7817949 0.5000000 0.2182051), wk = 0.0028011 k( 96) = ( 0.7762695 0.5000000 0.2237305), wk = 0.0028011 k( 97) = ( 0.7707441 0.5000000 0.2292559), wk = 0.0028011 k( 98) = ( 0.7652187 0.5000000 0.2347813), wk = 0.0028011 k( 99) = ( 0.7596933 0.5000000 0.2403067), wk = 0.0028011 k( 100) = ( 0.7541679 0.5000000 0.2458321), wk = 0.0028011 k( 101) = ( 0.7486425 0.5000000 0.2513575), wk = 0.0028011 k( 102) = ( 0.7431171 0.5000000 0.2568829), wk = 0.0028011 k( 103) = ( 0.7375917 0.5000000 0.2624083), wk = 0.0028011 k( 104) = ( 0.7320664 0.5000000 0.2679336), wk = 0.0028011 k( 105) = ( 0.7265410 0.5000000 0.2734590), wk = 0.0028011 k( 106) = ( 0.7210156 0.5000000 0.2789844), wk = 0.0028011 k( 107) = ( 0.7154902 0.5000000 0.2845098), wk = 0.0028011 k( 108) = ( 0.7099648 0.5000000 0.2900352), wk = 0.0028011 k( 109) = ( 0.7044394 0.5000000 0.2955606), wk = 0.0028011 k( 110) = ( 0.6989140 0.5000000 0.3010860), wk = 0.0028011 k( 111) = ( 0.6933886 0.5000000 0.3066114), wk = 0.0028011 k( 112) = ( 0.6878632 0.5000000 0.3121368), wk = 0.0028011 k( 113) = ( 0.6823379 0.5000000 0.3176622), wk = 0.0028011 k( 114) = ( 0.6768125 0.5000000 0.3231875), wk = 0.0028011 k( 115) = ( 0.6712871 0.5000000 0.3287129), wk = 0.0028011 k( 116) = ( 0.6657617 0.5000000 0.3342383), wk = 0.0028011 k( 117) = ( 0.6602363 0.5000000 0.3397637), wk = 0.0028011 k( 118) = ( 0.6547109 0.5000000 0.3452891), wk = 0.0028011 k( 119) = ( 0.6491855 0.5000000 0.3508145), wk = 0.0028011 k( 120) = ( 0.6436601 0.5000000 0.3563399), wk = 0.0028011 k( 121) = ( 0.6381347 0.5000000 0.3618653), wk = 0.0028011 k( 122) = ( 0.6326093 0.5000000 0.3673907), wk = 0.0028011 k( 123) = ( 0.6270840 0.5000000 0.3729160), wk = 0.0028011 k( 124) = ( 0.6215586 0.5000000 0.3784414), wk = 0.0028011 k( 125) = ( 0.6160332 0.5000000 0.3839668), wk = 0.0028011 k( 126) = ( 0.6105078 0.5000000 0.3894922), wk = 0.0028011 k( 127) = ( 0.6049824 0.5000000 0.3950176), wk = 0.0028011 k( 128) = ( 0.5994570 0.5000000 0.4005430), wk = 0.0028011 k( 129) = ( 0.5939316 0.5000000 0.4060684), wk = 0.0028011 k( 130) = ( 0.5884062 0.5000000 0.4115938), wk = 0.0028011 k( 131) = ( 0.5828808 0.5000000 0.4171192), wk = 0.0028011 k( 132) = ( 0.5773554 0.5000000 0.4226446), wk = 0.0028011 k( 133) = ( 0.5718301 0.5000000 0.4281699), wk = 0.0028011 k( 134) = ( 0.5663047 0.5000000 0.4336953), wk = 0.0028011 k( 135) = ( 0.5607793 0.5000000 0.4392207), wk = 0.0028011 k( 136) = ( 0.5552539 0.5000000 0.4447461), wk = 0.0028011 k( 137) = ( 0.5497285 0.5000000 0.4502715), wk = 0.0028011 k( 138) = ( 0.5442031 0.5000000 0.4557969), wk = 0.0028011 k( 139) = ( 0.5386777 0.5000000 0.4613223), wk = 0.0028011 k( 140) = ( 0.5331523 0.5000000 0.4668477), wk = 0.0028011 k( 141) = ( 0.5276270 0.5000000 0.4723731), wk = 0.0028011 k( 142) = ( 0.5221016 0.5000000 0.4778984), wk = 0.0028011 k( 143) = ( 0.5165762 0.5000000 0.4834238), wk = 0.0028011 k( 144) = ( 0.5110508 0.5000000 0.4889492), wk = 0.0028011 k( 145) = ( 0.5055254 0.5000000 0.4944746), wk = 0.0028011 k( 146) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028011 k( 147) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028011 k( 148) = ( 0.4848485 0.4848485 0.4848485), wk = 0.0028011 k( 149) = ( 0.4696970 0.4696970 0.4696970), wk = 0.0028011 k( 150) = ( 0.4545455 0.4545455 0.4545455), wk = 0.0028011 k( 151) = ( 0.4393939 0.4393939 0.4393939), wk = 0.0028011 k( 152) = ( 0.4242424 0.4242424 0.4242424), wk = 0.0028011 k( 153) = ( 0.4090909 0.4090909 0.4090909), wk = 0.0028011 k( 154) = ( 0.3939394 0.3939394 0.3939394), wk = 0.0028011 k( 155) = ( 0.3787879 0.3787879 0.3787879), wk = 0.0028011 k( 156) = ( 0.3636364 0.3636364 0.3636364), wk = 0.0028011 k( 157) = ( 0.3484849 0.3484849 0.3484849), wk = 0.0028011 k( 158) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0028011 k( 159) = ( 0.3181818 0.3181818 0.3181818), wk = 0.0028011 k( 160) = ( 0.3030303 0.3030303 0.3030303), wk = 0.0028011 k( 161) = ( 0.2878788 0.2878788 0.2878788), wk = 0.0028011 k( 162) = ( 0.2727273 0.2727273 0.2727273), wk = 0.0028011 k( 163) = ( 0.2575758 0.2575758 0.2575758), wk = 0.0028011 k( 164) = ( 0.2424242 0.2424242 0.2424242), wk = 0.0028011 k( 165) = ( 0.2272727 0.2272727 0.2272727), wk = 0.0028011 k( 166) = ( 0.2121212 0.2121212 0.2121212), wk = 0.0028011 k( 167) = ( 0.1969697 0.1969697 0.1969697), wk = 0.0028011 k( 168) = ( 0.1818182 0.1818182 0.1818182), wk = 0.0028011 k( 169) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0028011 k( 170) = ( 0.1515151 0.1515151 0.1515151), wk = 0.0028011 k( 171) = ( 0.1363636 0.1363636 0.1363636), wk = 0.0028011 k( 172) = ( 0.1212121 0.1212121 0.1212121), wk = 0.0028011 k( 173) = ( 0.1060606 0.1060606 0.1060606), wk = 0.0028011 k( 174) = ( 0.0909091 0.0909091 0.0909091), wk = 0.0028011 k( 175) = ( 0.0757576 0.0757576 0.0757576), wk = 0.0028011 k( 176) = ( 0.0606061 0.0606061 0.0606061), wk = 0.0028011 k( 177) = ( 0.0454546 0.0454546 0.0454546), wk = 0.0028011 k( 178) = ( 0.0303030 0.0303030 0.0303030), wk = 0.0028011 k( 179) = ( 0.0151515 0.0151515 0.0151515), wk = 0.0028011 k( 180) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028011 k( 181) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028011 k( 182) = ( 0.0056137 0.0000000 -0.0056137), wk = 0.0028011 k( 183) = ( 0.0112275 0.0000000 -0.0112275), wk = 0.0028011 k( 184) = ( 0.0168412 0.0000000 -0.0168412), wk = 0.0028011 k( 185) = ( 0.0224550 0.0000000 -0.0224550), wk = 0.0028011 k( 186) = ( 0.0280687 0.0000000 -0.0280687), wk = 0.0028011 k( 187) = ( 0.0336824 0.0000000 -0.0336824), wk = 0.0028011 k( 188) = ( 0.0392962 0.0000000 -0.0392962), wk = 0.0028011 k( 189) = ( 0.0449099 0.0000000 -0.0449099), wk = 0.0028011 k( 190) = ( 0.0505237 0.0000000 -0.0505236), wk = 0.0028011 k( 191) = ( 0.0561374 0.0000000 -0.0561374), wk = 0.0028011 k( 192) = ( 0.0617511 0.0000000 -0.0617511), wk = 0.0028011 k( 193) = ( 0.0673649 0.0000000 -0.0673649), wk = 0.0028011 k( 194) = ( 0.0729786 0.0000000 -0.0729786), wk = 0.0028011 k( 195) = ( 0.0785923 0.0000000 -0.0785923), wk = 0.0028011 k( 196) = ( 0.0842061 0.0000000 -0.0842061), wk = 0.0028011 k( 197) = ( 0.0898198 0.0000000 -0.0898198), wk = 0.0028011 k( 198) = ( 0.0954336 0.0000000 -0.0954336), wk = 0.0028011 k( 199) = ( 0.1010473 0.0000000 -0.1010473), wk = 0.0028011 k( 200) = ( 0.1066610 0.0000000 -0.1066610), wk = 0.0028011 k( 201) = ( 0.1122748 0.0000000 -0.1122748), wk = 0.0028011 k( 202) = ( 0.1178885 0.0000000 -0.1178885), wk = 0.0028011 k( 203) = ( 0.1235022 0.0000000 -0.1235022), wk = 0.0028011 k( 204) = ( 0.1291160 0.0000000 -0.1291160), wk = 0.0028011 k( 205) = ( 0.1347297 0.0000000 -0.1347297), wk = 0.0028011 k( 206) = ( 0.1403435 0.0000000 -0.1403435), wk = 0.0028011 k( 207) = ( 0.1459572 0.0000000 -0.1459572), wk = 0.0028011 k( 208) = ( 0.1515709 0.0000000 -0.1515709), wk = 0.0028011 k( 209) = ( 0.1571847 0.0000000 -0.1571847), wk = 0.0028011 k( 210) = ( 0.1627984 0.0000000 -0.1627984), wk = 0.0028011 k( 211) = ( 0.1684122 0.0000000 -0.1684122), wk = 0.0028011 k( 212) = ( 0.1740259 0.0000000 -0.1740259), wk = 0.0028011 k( 213) = ( 0.1796396 0.0000000 -0.1796396), wk = 0.0028011 k( 214) = ( 0.1852534 0.0000000 -0.1852534), wk = 0.0028011 k( 215) = ( 0.1908671 0.0000000 -0.1908671), wk = 0.0028011 k( 216) = ( 0.1964809 0.0000000 -0.1964808), wk = 0.0028011 k( 217) = ( 0.2020946 0.0000000 -0.2020946), wk = 0.0028011 k( 218) = ( 0.2077083 0.0000000 -0.2077083), wk = 0.0028011 k( 219) = ( 0.2133221 0.0000000 -0.2133221), wk = 0.0028011 k( 220) = ( 0.2189358 0.0000000 -0.2189358), wk = 0.0028011 k( 221) = ( 0.2245495 0.0000000 -0.2245495), wk = 0.0028011 k( 222) = ( 0.2301633 0.0000000 -0.2301633), wk = 0.0028011 k( 223) = ( 0.2357770 0.0000000 -0.2357770), wk = 0.0028011 k( 224) = ( 0.2413908 -0.0000000 -0.2413908), wk = 0.0028011 k( 225) = ( 0.2470045 0.0000000 -0.2470045), wk = 0.0028011 k( 226) = ( 0.2526182 0.0000000 -0.2526182), wk = 0.0028011 k( 227) = ( 0.2582320 0.0000000 -0.2582320), wk = 0.0028011 k( 228) = ( 0.2638457 0.0000000 -0.2638457), wk = 0.0028011 k( 229) = ( 0.2694594 0.0000000 -0.2694595), wk = 0.0028011 k( 230) = ( 0.2750732 0.0000000 -0.2750732), wk = 0.0028011 k( 231) = ( 0.2806869 0.0000000 -0.2806869), wk = 0.0028011 k( 232) = ( 0.2863007 0.0000000 -0.2863007), wk = 0.0028011 k( 233) = ( 0.2919144 0.0000000 -0.2919144), wk = 0.0028011 k( 234) = ( 0.2975281 0.0000000 -0.2975281), wk = 0.0028011 k( 235) = ( 0.3031419 0.0000000 -0.3031419), wk = 0.0028011 k( 236) = ( 0.3087556 0.0000000 -0.3087556), wk = 0.0028011 k( 237) = ( 0.3143694 0.0000000 -0.3143694), wk = 0.0028011 k( 238) = ( 0.3199831 0.0000000 -0.3199831), wk = 0.0028011 k( 239) = ( 0.3255968 0.0000000 -0.3255968), wk = 0.0028011 k( 240) = ( 0.3312106 0.0000000 -0.3312106), wk = 0.0028011 k( 241) = ( 0.3368243 0.0000000 -0.3368243), wk = 0.0028011 k( 242) = ( 0.3424380 0.0000000 -0.3424380), wk = 0.0028011 k( 243) = ( 0.3480518 0.0000000 -0.3480518), wk = 0.0028011 k( 244) = ( 0.6519482 0.3480518 0.0000000), wk = 0.0028011 k( 245) = ( 0.6465215 0.3534785 -0.0000000), wk = 0.0028011 k( 246) = ( 0.6410948 0.3589052 0.0000000), wk = 0.0028011 k( 247) = ( 0.6356681 0.3643320 0.0000000), wk = 0.0028011 k( 248) = ( 0.6302413 0.3697587 0.0000000), wk = 0.0028011 k( 249) = ( 0.6248146 0.3751854 0.0000000), wk = 0.0028011 k( 250) = ( 0.6193879 0.3806121 0.0000000), wk = 0.0028011 k( 251) = ( 0.6139612 0.3860388 0.0000000), wk = 0.0028011 k( 252) = ( 0.6085344 0.3914656 0.0000000), wk = 0.0028011 k( 253) = ( 0.6031077 0.3968923 0.0000000), wk = 0.0028011 k( 254) = ( 0.5976810 0.4023190 0.0000000), wk = 0.0028011 k( 255) = ( 0.5922543 0.4077457 0.0000000), wk = 0.0028011 k( 256) = ( 0.5868275 0.4131725 0.0000000), wk = 0.0028011 k( 257) = ( 0.5814008 0.4185992 0.0000000), wk = 0.0028011 k( 258) = ( 0.5759741 0.4240259 0.0000000), wk = 0.0028011 k( 259) = ( 0.5705474 0.4294526 0.0000000), wk = 0.0028011 k( 260) = ( 0.5651207 0.4348793 0.0000000), wk = 0.0028011 k( 261) = ( 0.5596939 0.4403061 0.0000000), wk = 0.0028011 k( 262) = ( 0.5542672 0.4457328 0.0000000), wk = 0.0028011 k( 263) = ( 0.5488405 0.4511595 0.0000000), wk = 0.0028011 k( 264) = ( 0.5434138 0.4565862 0.0000000), wk = 0.0028011 k( 265) = ( 0.5379871 0.4620129 0.0000000), wk = 0.0028011 k( 266) = ( 0.5325603 0.4674397 0.0000000), wk = 0.0028011 k( 267) = ( 0.5271336 0.4728664 0.0000000), wk = 0.0028011 k( 268) = ( 0.5217069 0.4782931 0.0000000), wk = 0.0028011 k( 269) = ( 0.5162802 0.4837198 0.0000000), wk = 0.0028011 k( 270) = ( 0.5108534 0.4891466 0.0000000), wk = 0.0028011 k( 271) = ( 0.5054267 0.4945733 0.0000000), wk = 0.0028011 k( 272) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0028011 k( 273) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0028011 k( 274) = ( 0.5126624 0.5126624 0.0163420), wk = 0.0028011 k( 275) = ( 0.5253247 0.5253247 0.0326839), wk = 0.0028011 k( 276) = ( 0.5379871 0.5379871 0.0490259), wk = 0.0028011 k( 277) = ( 0.5506494 0.5506494 0.0653679), wk = 0.0028011 k( 278) = ( 0.5633117 0.5633117 0.0817098), wk = 0.0028011 k( 279) = ( 0.5759741 0.5759741 0.0980518), wk = 0.0028011 k( 280) = ( 0.5886365 0.5886365 0.1143938), wk = 0.0028011 k( 281) = ( 0.6012988 0.6012988 0.1307357), wk = 0.0028011 k( 282) = ( 0.6139612 0.6139612 0.1470777), wk = 0.0028011 k( 283) = ( 0.6266235 0.6266235 0.1634196), wk = 0.0028011 k( 284) = ( 0.6392859 0.6392859 0.1797616), wk = 0.0028011 k( 285) = ( 0.6519482 0.6519482 0.1961036), wk = 0.0028011 k( 286) = ( 0.6519482 0.6519482 0.1961036), wk = 0.0028011 k( 287) = ( 0.6487153 0.6487153 0.2025695), wk = 0.0028011 k( 288) = ( 0.6454823 0.6454823 0.2090353), wk = 0.0028011 k( 289) = ( 0.6422494 0.6422494 0.2155012), wk = 0.0028011 k( 290) = ( 0.6390164 0.6390164 0.2219671), wk = 0.0028011 k( 291) = ( 0.6357835 0.6357835 0.2284330), wk = 0.0028011 k( 292) = ( 0.6325506 0.6325506 0.2348989), wk = 0.0028011 k( 293) = ( 0.6293176 0.6293176 0.2413647), wk = 0.0028011 k( 294) = ( 0.6260847 0.6260847 0.2478306), wk = 0.0028011 k( 295) = ( 0.6228518 0.6228518 0.2542965), wk = 0.0028011 k( 296) = ( 0.6196188 0.6196188 0.2607624), wk = 0.0028011 k( 297) = ( 0.6163859 0.6163859 0.2672283), wk = 0.0028011 k( 298) = ( 0.6131529 0.6131529 0.2736942), wk = 0.0028011 k( 299) = ( 0.6099200 0.6099200 0.2801600), wk = 0.0028011 k( 300) = ( 0.6066870 0.6066870 0.2866259), wk = 0.0028011 k( 301) = ( 0.6034541 0.6034541 0.2930918), wk = 0.0028011 k( 302) = ( 0.6002212 0.6002212 0.2995577), wk = 0.0028011 k( 303) = ( 0.5969882 0.5969882 0.3060236), wk = 0.0028011 k( 304) = ( 0.5937553 0.5937553 0.3124894), wk = 0.0028011 k( 305) = ( 0.5905223 0.5905223 0.3189553), wk = 0.0028011 k( 306) = ( 0.5872894 0.5872894 0.3254212), wk = 0.0028011 k( 307) = ( 0.5840565 0.5840565 0.3318871), wk = 0.0028011 k( 308) = ( 0.5808235 0.5808235 0.3383530), wk = 0.0028011 k( 309) = ( 0.5775906 0.5775906 0.3448189), wk = 0.0028011 k( 310) = ( 0.5743576 0.5743576 0.3512847), wk = 0.0028011 k( 311) = ( 0.5711247 0.5711247 0.3577506), wk = 0.0028011 k( 312) = ( 0.5678918 0.5678918 0.3642165), wk = 0.0028011 k( 313) = ( 0.5646588 0.5646588 0.3706824), wk = 0.0028011 k( 314) = ( 0.5614259 0.5614259 0.3771482), wk = 0.0028011 k( 315) = ( 0.5581929 0.5581929 0.3836141), wk = 0.0028011 k( 316) = ( 0.5549600 0.5549600 0.3900800), wk = 0.0028011 k( 317) = ( 0.5517270 0.5517270 0.3965459), wk = 0.0028011 k( 318) = ( 0.5484941 0.5484941 0.4030118), wk = 0.0028011 k( 319) = ( 0.5452612 0.5452612 0.4094777), wk = 0.0028011 k( 320) = ( 0.5420282 0.5420282 0.4159435), wk = 0.0028011 k( 321) = ( 0.5387953 0.5387953 0.4224094), wk = 0.0028011 k( 322) = ( 0.5355623 0.5355623 0.4288753), wk = 0.0028011 k( 323) = ( 0.5323294 0.5323294 0.4353412), wk = 0.0028011 k( 324) = ( 0.5290965 0.5290965 0.4418071), wk = 0.0028011 k( 325) = ( 0.5258635 0.5258635 0.4482730), wk = 0.0028011 k( 326) = ( 0.5226306 0.5226306 0.4547388), wk = 0.0028011 k( 327) = ( 0.5193976 0.5193976 0.4612047), wk = 0.0028011 k( 328) = ( 0.5161647 0.5161647 0.4676706), wk = 0.0028011 k( 329) = ( 0.5129318 0.5129318 0.4741365), wk = 0.0028011 k( 330) = ( 0.5096988 0.5096988 0.4806024), wk = 0.0028011 k( 331) = ( 0.5064659 0.5064659 0.4870682), wk = 0.0028011 k( 332) = ( 0.5032329 0.5032329 0.4935341), wk = 0.0028011 k( 333) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028011 k( 334) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0028011 k( 335) = ( 0.5132129 0.0151327 0.0151327), wk = 0.0028011 k( 336) = ( 0.5264258 0.0302654 0.0302654), wk = 0.0028011 k( 337) = ( 0.5396387 0.0453981 0.0453981), wk = 0.0028011 k( 338) = ( 0.5528515 0.0605308 0.0605308), wk = 0.0028011 k( 339) = ( 0.5660644 0.0756634 0.0756634), wk = 0.0028011 k( 340) = ( 0.5792773 0.0907961 0.0907961), wk = 0.0028011 k( 341) = ( 0.5924902 0.1059288 0.1059288), wk = 0.0028011 k( 342) = ( 0.6057031 0.1210615 0.1210615), wk = 0.0028011 k( 343) = ( 0.6189160 0.1361942 0.1361942), wk = 0.0028011 k( 344) = ( 0.6321289 0.1513269 0.1513269), wk = 0.0028011 k( 345) = ( 0.6453418 0.1664596 0.1664595), wk = 0.0028011 k( 346) = ( 0.6585547 0.1815922 0.1815922), wk = 0.0028011 k( 347) = ( 0.6717675 0.1967249 0.1967249), wk = 0.0028011 k( 348) = ( 0.6849804 0.2118576 0.2118576), wk = 0.0028011 k( 349) = ( 0.6981933 0.2269903 0.2269903), wk = 0.0028011 k( 350) = ( 0.7114062 0.2421230 0.2421230), wk = 0.0028011 k( 351) = ( 0.7246191 0.2572557 0.2572557), wk = 0.0028011 k( 352) = ( 0.7378320 0.2723884 0.2723884), wk = 0.0028011 k( 353) = ( 0.7510449 0.2875210 0.2875210), wk = 0.0028011 k( 354) = ( 0.7642578 0.3026537 0.3026537), wk = 0.0028011 k( 355) = ( 0.7774707 0.3177864 0.3177864), wk = 0.0028011 k( 356) = ( 0.7906835 0.3329191 0.3329191), wk = 0.0028011 k( 357) = ( 0.8038964 0.3480518 0.3480518), wk = 0.0028011 Dense grid: 96277 G-vectors FFT dimensions: ( 81, 81, 81) Smooth grid: 13911 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.04 Mb ( 78, 34) NL pseudopotentials 0.05 Mb ( 39, 76) Each V/rho on FFT grid 0.20 Mb ( 13122) Each G-vector array 0.02 Mb ( 2008) G-vector shells 0.01 Mb ( 1681) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.16 Mb ( 78, 136) Each subspace H/S matrix 0.28 Mb ( 136, 136) Each matrix 0.08 Mb ( 76, 2, 34) The potential is recalculated from file : ./CdCN2.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 43.4 secs Computing kpt #: 2 total cpu time spent up to now is 44.1 secs Computing kpt #: 3 total cpu time spent up to now is 44.7 secs Computing kpt #: 4 total cpu time spent up to now is 45.7 secs Computing kpt #: 5 total cpu time spent up to now is 46.3 secs Computing kpt #: 6 total cpu time spent up to now is 47.1 secs Computing kpt #: 7 total cpu time spent up to now is 47.7 secs Computing kpt #: 8 total cpu time spent up to now is 48.4 secs Computing kpt #: 9 total cpu time spent up to now is 49.1 secs Computing kpt #: 10 total cpu time spent up to now is 49.9 secs Computing kpt #: 11 total cpu time spent up to now is 50.6 secs Computing kpt #: 12 total cpu time spent up to now is 51.3 secs Computing kpt #: 13 total cpu time spent up to now is 51.9 secs Computing kpt #: 14 total cpu time spent up to now is 52.6 secs Computing kpt #: 15 total cpu time spent up to now is 53.2 secs Computing kpt #: 16 total cpu time spent up to now is 53.8 secs Computing kpt #: 17 total cpu time spent up to now is 54.4 secs Computing kpt #: 18 total cpu time spent up to now is 55.1 secs Computing kpt #: 19 total cpu time spent up to now is 55.7 secs Computing kpt #: 20 total cpu time spent up to now is 56.3 secs Computing kpt #: 21 total cpu time spent up to now is 56.9 secs Computing kpt #: 22 total cpu time spent up to now is 57.6 secs Computing kpt #: 23 total cpu time spent up to now is 58.2 secs Computing kpt #: 24 total cpu time spent up to now is 58.8 secs Computing kpt #: 25 total cpu time spent up to now is 59.4 secs Computing kpt #: 26 total cpu time spent up to now is 60.1 secs Computing kpt #: 27 total cpu time spent up to now is 60.8 secs Computing kpt #: 28 total cpu time spent up to now is 61.6 secs Computing kpt #: 29 total cpu time spent up to now is 62.3 secs Computing kpt #: 30 total cpu time spent up to now is 63.1 secs Computing kpt #: 31 total cpu time spent up to now is 63.9 secs Computing kpt #: 32 total cpu time spent up to now is 64.7 secs Computing kpt #: 33 total cpu time spent up to now is 65.5 secs Computing kpt #: 34 total cpu time spent up to now is 66.3 secs Computing kpt #: 35 total cpu time spent up to now is 67.0 secs Computing kpt #: 36 total cpu time spent up to now is 67.8 secs Computing kpt #: 37 total cpu time spent up to now is 68.5 secs Computing kpt #: 38 total cpu time spent up to now is 69.3 secs Computing kpt #: 39 total cpu time spent up to now is 70.0 secs Computing kpt #: 40 total cpu time spent up to now is 70.8 secs Computing kpt #: 41 total cpu time spent up to now is 71.6 secs Computing kpt #: 42 total cpu time spent up to now is 72.3 secs Computing kpt #: 43 total cpu time spent up to now is 73.2 secs Computing kpt #: 44 total cpu time spent up to now is 73.9 secs Computing kpt #: 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85.4 secs Computing kpt #: 61 total cpu time spent up to now is 86.1 secs Computing kpt #: 62 total cpu time spent up to now is 86.7 secs Computing kpt #: 63 total cpu time spent up to now is 87.4 secs Computing kpt #: 64 total cpu time spent up to now is 88.1 secs Computing kpt #: 65 total cpu time spent up to now is 88.8 secs Computing kpt #: 66 total cpu time spent up to now is 89.4 secs Computing kpt #: 67 total cpu time spent up to now is 90.1 secs Computing kpt #: 68 total cpu time spent up to now is 90.9 secs Computing kpt #: 69 total cpu time spent up to now is 91.6 secs Computing kpt #: 70 total cpu time spent up to now is 92.2 secs Computing kpt #: 71 total cpu time spent up to now is 92.9 secs Computing kpt #: 72 total cpu time spent up to now is 93.5 secs Computing kpt #: 73 total cpu time spent up to now is 94.2 secs Computing kpt #: 74 total cpu time spent up to now is 94.9 secs Computing kpt #: 75 total cpu time spent up to now is 95.5 secs Computing kpt #: 76 total cpu time spent up to now is 96.1 secs Computing kpt #: 77 total cpu time spent up to now is 96.8 secs Computing kpt #: 78 total cpu time spent up to now is 97.5 secs Computing kpt #: 79 total cpu time spent up to now is 98.2 secs Computing kpt #: 80 total cpu time spent up to now is 98.9 secs Computing kpt #: 81 total cpu time spent up to now is 99.6 secs Computing kpt #: 82 total cpu time spent up to now is 100.2 secs Computing kpt #: 83 total cpu time spent up to now is 101.0 secs Computing kpt #: 84 total cpu time spent up to now is 101.7 secs Computing kpt #: 85 total cpu time spent up to now is 102.4 secs Computing kpt #: 86 total cpu time spent up to now is 103.1 secs Computing kpt #: 87 total cpu time spent up to now is 103.9 secs Computing kpt #: 88 total cpu time spent up to now is 104.6 secs Computing kpt #: 89 total cpu time spent up to now is 105.3 secs Computing kpt #: 90 total cpu time spent up to now is 106.1 secs Computing kpt #: 91 total cpu time spent up to now is 106.8 secs Computing kpt #: 92 total cpu time spent up to now is 107.7 secs Computing kpt #: 93 total cpu time spent up to now is 108.4 secs Computing kpt #: 94 total cpu time spent up to now is 109.2 secs Computing kpt #: 95 total cpu time spent up to now is 110.2 secs Computing kpt #: 96 total cpu time spent up to now is 110.9 secs Computing kpt #: 97 total cpu time spent up to now is 111.9 secs Computing kpt #: 98 total cpu time spent up to now is 112.6 secs Computing kpt #: 99 total cpu time spent up to now is 113.5 secs Computing kpt #: 100 total cpu time spent up to now is 114.2 secs Computing kpt #: 101 total cpu time spent up to now is 114.9 secs Computing kpt #: 102 total cpu time spent up to now is 115.7 secs Computing kpt #: 103 total cpu time spent up to now is 116.4 secs Computing kpt #: 104 total cpu time spent up to now is 117.0 secs Computing kpt #: 105 total cpu time spent up to now is 117.7 secs Computing kpt #: 106 total cpu time spent up to now is 118.3 secs Computing kpt #: 107 total cpu time spent up to now is 118.9 secs Computing kpt #: 108 total cpu time spent up to now is 119.7 secs Computing kpt #: 109 total cpu time spent up to now is 120.2 secs Computing kpt #: 110 total cpu time spent up to now is 120.9 secs Computing kpt #: 111 total cpu time spent up to now is 121.5 secs Computing kpt #: 112 total cpu time spent up to now is 122.3 secs Computing kpt #: 113 total cpu time spent up to now is 122.9 secs Computing kpt #: 114 total cpu time spent up to now is 123.5 secs Computing kpt #: 115 total cpu time spent up to now is 124.1 secs Computing kpt #: 116 total cpu time spent up to now is 124.7 secs Computing kpt #: 117 total cpu time spent up to now is 125.2 secs Computing kpt #: 118 total cpu time spent up to now is 125.8 secs Computing kpt #: 119 total cpu time spent up to now is 126.4 secs Computing kpt #: 120 total cpu time spent up to now is 127.0 secs Computing kpt #: 121 total cpu time spent up to now is 127.8 secs Computing kpt #: 122 total cpu time spent up to now is 128.6 secs Computing kpt #: 123 total cpu time spent up to now is 129.2 secs Computing kpt #: 124 total cpu time spent up to now is 129.8 secs Computing kpt #: 125 total cpu time spent up to now is 130.5 secs Computing kpt #: 126 total cpu time spent up to now is 131.2 secs Computing kpt #: 127 total cpu time spent up to now is 131.8 secs Computing kpt #: 128 total cpu time spent up to now is 132.5 secs Computing kpt #: 129 total cpu time spent up to now is 133.1 secs Computing kpt #: 130 total cpu time spent up to now is 133.7 secs Computing kpt #: 131 total cpu time spent up to now is 134.3 secs Computing kpt #: 132 total cpu time spent up to now is 134.9 secs Computing kpt #: 133 total cpu time spent up to now is 135.5 secs Computing kpt #: 134 total cpu time spent up to now is 136.2 secs Computing kpt #: 135 total cpu time spent up to now is 136.8 secs Computing kpt #: 136 total cpu time spent up to now is 137.5 secs Computing kpt #: 137 total cpu time spent up to now is 138.2 secs Computing kpt #: 138 total cpu time spent up to now is 138.8 secs Computing kpt #: 139 total cpu time spent up to now is 139.5 secs Computing kpt #: 140 total cpu time spent up to now is 140.1 secs Computing kpt #: 141 total cpu time spent up to now is 140.7 secs Computing kpt #: 142 total cpu time spent up to now is 141.3 secs Computing kpt #: 143 total cpu time spent up to now is 142.0 secs Computing kpt #: 144 total cpu time spent up to now is 142.6 secs Computing kpt #: 145 total cpu time spent up to now is 143.3 secs Computing kpt #: 146 total cpu time spent up to now is 143.9 secs Computing kpt #: 147 total cpu time spent up to now is 144.4 secs Computing kpt #: 148 total cpu time spent up to now is 145.0 secs Computing kpt #: 149 total cpu time spent up to now is 145.7 secs Computing kpt #: 150 total cpu time spent up to now is 146.3 secs Computing kpt #: 151 total cpu time spent up to now is 147.0 secs Computing kpt #: 152 total cpu time spent up to now is 147.8 secs Computing kpt #: 153 total cpu time spent up to now is 148.4 secs Computing kpt #: 154 total cpu time spent up to now is 149.0 secs Computing kpt #: 155 total cpu time spent up to now is 149.5 secs Computing kpt #: 156 total cpu time spent up to now is 150.1 secs Computing kpt #: 157 total cpu time spent up to now is 150.6 secs Computing kpt #: 158 total cpu time spent up to now is 151.2 secs Computing kpt #: 159 total cpu time spent up to now is 151.9 secs Computing kpt #: 160 total cpu time spent up to now is 152.5 secs Computing kpt #: 161 total cpu time spent up to now is 153.1 secs Computing kpt #: 162 total cpu time spent up to now is 153.7 secs Computing kpt #: 163 total cpu time spent up to now is 154.4 secs Computing kpt #: 164 total cpu time spent up to now is 155.1 secs Computing kpt #: 165 total cpu time spent up to now is 155.8 secs Computing kpt #: 166 total cpu time spent up to now is 156.3 secs Computing kpt #: 167 total cpu time spent up to now is 156.9 secs Computing kpt #: 168 total cpu time spent up to now is 157.5 secs Computing kpt #: 169 total cpu time spent up to now is 158.0 secs Computing kpt #: 170 total cpu time spent up to now is 158.9 secs Computing kpt #: 171 total cpu time spent up to now is 159.5 secs Computing kpt #: 172 total cpu time spent up to now is 160.2 secs Computing kpt #: 173 total cpu time spent up to now is 161.0 secs Computing kpt #: 174 total cpu time spent up to now is 161.5 secs Computing kpt #: 175 total cpu time spent up to now is 162.2 secs Computing kpt #: 176 total cpu time spent up to now is 162.8 secs Computing kpt #: 177 total cpu time spent up to now is 163.4 secs Computing kpt #: 178 total cpu time spent up to now is 164.0 secs Computing kpt #: 179 total cpu time spent up to now is 164.6 secs Computing kpt #: 180 total cpu time spent up to now is 165.2 secs Computing kpt #: 181 total cpu time spent up to now is 165.8 secs Computing kpt #: 182 total cpu time spent up to now is 166.4 secs Computing kpt #: 183 total cpu time spent up to now is 167.1 secs Computing kpt #: 184 total cpu time spent up to now is 167.8 secs Computing kpt #: 185 total cpu time spent up to now is 168.4 secs Computing kpt #: 186 total cpu time spent up to now is 169.1 secs Computing kpt #: 187 total cpu time spent up to now is 169.8 secs Computing kpt #: 188 total cpu time spent up to now is 170.4 secs Computing kpt #: 189 total cpu time spent up to now is 171.1 secs Computing kpt #: 190 total cpu time spent up to now is 171.9 secs Computing kpt #: 191 total cpu time spent up to now is 172.6 secs Computing kpt #: 192 total cpu time spent up to now is 173.3 secs Computing kpt #: 193 total cpu time spent up to now is 174.2 secs Computing kpt #: 194 total cpu time spent up to now is 174.9 secs Computing kpt #: 195 total cpu time spent up to now is 175.5 secs Computing kpt #: 196 total cpu time spent up to now is 176.1 secs Computing kpt #: 197 total cpu time spent up to now is 176.8 secs Computing kpt #: 198 total cpu time spent up to now is 177.6 secs Computing kpt #: 199 total cpu time spent up to now is 178.4 secs Computing kpt #: 200 total cpu time spent up to now is 179.0 secs Computing kpt #: 201 total cpu time spent up to now is 179.6 secs Computing kpt #: 202 total cpu time spent up to now is 180.3 secs Computing kpt #: 203 total cpu time spent up to now is 181.0 secs Computing kpt #: 204 total cpu time spent up to now is 181.7 secs Computing kpt #: 205 total cpu time spent up to now is 182.3 secs Computing kpt #: 206 total cpu time spent up to now is 182.9 secs Computing kpt #: 207 total cpu time spent up to now is 183.6 secs Computing kpt #: 208 total cpu time spent up to now is 184.3 secs Computing kpt #: 209 total cpu time spent up to now is 185.0 secs Computing kpt #: 210 total cpu time spent up to now is 185.7 secs Computing kpt #: 211 total cpu time spent up to now is 186.4 secs Computing kpt #: 212 total cpu time spent up to now is 187.2 secs Computing kpt #: 213 total cpu time spent up to now is 187.9 secs Computing kpt #: 214 total cpu time spent up to now is 188.7 secs Computing kpt #: 215 total cpu time spent up to now is 189.5 secs Computing kpt #: 216 total cpu time spent up to now is 190.3 secs Computing kpt #: 217 total cpu time spent up to now is 191.0 secs Computing kpt #: 218 total cpu time spent up to now is 191.7 secs Computing kpt #: 219 total cpu time spent up to now is 192.4 secs Computing kpt #: 220 total cpu time spent up to now is 193.1 secs Computing kpt #: 221 total cpu time spent up to now is 193.9 secs Computing kpt #: 222 total cpu time spent up to now is 194.7 secs Computing kpt #: 223 total cpu time spent up to now is 195.4 secs Computing kpt #: 224 total cpu time spent up to now is 196.2 secs Computing kpt #: 225 total cpu time spent up to now is 196.9 secs Computing kpt #: 226 total cpu time spent up to now is 197.5 secs Computing kpt #: 227 total cpu time spent up to now is 198.2 secs Computing kpt #: 228 total cpu time spent up to now is 199.0 secs Computing kpt #: 229 total cpu time spent up to now is 199.8 secs Computing kpt #: 230 total cpu time spent up to now is 200.5 secs Computing kpt #: 231 total cpu time spent up to now is 201.2 secs Computing kpt #: 232 total cpu time spent up to now is 202.1 secs Computing kpt #: 233 total cpu time spent up to now is 202.8 secs Computing kpt #: 234 total cpu time spent up to now is 203.5 secs Computing kpt #: 235 total cpu time spent up to now is 204.2 secs Computing kpt #: 236 total cpu time spent up to now is 204.9 secs Computing kpt #: 237 total cpu time spent up to now is 205.6 secs Computing kpt #: 238 total cpu time spent up to now is 206.3 secs Computing kpt #: 239 total cpu time spent up to now is 207.0 secs Computing kpt #: 240 total cpu time spent up to now is 207.7 secs Computing kpt #: 241 total cpu time spent up to now is 208.5 secs Computing kpt #: 242 total cpu time spent up to now is 209.2 secs Computing kpt #: 243 total cpu time spent up to now is 209.9 secs Computing kpt #: 244 total cpu time spent up to now is 210.6 secs Computing kpt #: 245 total cpu time spent up to now is 211.3 secs Computing kpt #: 246 total cpu time spent up to now is 212.1 secs Computing kpt #: 247 total cpu time spent up to now is 212.9 secs Computing kpt #: 248 total cpu time spent up to now is 213.6 secs Computing kpt #: 249 total cpu time spent up to now is 214.3 secs Computing kpt #: 250 total cpu time spent up to now is 215.1 secs Computing kpt #: 251 total cpu time spent up to now is 215.8 secs Computing kpt #: 252 total cpu time spent up to now is 216.5 secs Computing kpt #: 253 total cpu time spent up to now is 217.2 secs Computing kpt #: 254 total cpu time spent up to now is 217.9 secs Computing kpt #: 255 total cpu time spent up to now is 218.8 secs Computing kpt #: 256 total cpu time spent up to now is 219.5 secs Computing kpt #: 257 total cpu time spent up to now is 220.2 secs Computing kpt #: 258 total cpu time spent up to now is 220.9 secs Computing kpt #: 259 total cpu time spent up to now is 221.7 secs Computing kpt #: 260 total cpu time spent up to now is 222.5 secs Computing kpt #: 261 total cpu time spent up to now is 223.2 secs Computing kpt #: 262 total cpu time spent up to now is 223.9 secs Computing kpt #: 263 total cpu time spent up to now is 224.7 secs Computing kpt #: 264 total cpu time spent up to now is 225.4 secs Computing kpt #: 265 total cpu time spent up to now is 226.1 secs Computing kpt #: 266 total cpu time spent up to now is 226.9 secs Computing kpt #: 267 total cpu time spent up to now is 227.8 secs Computing kpt #: 268 total cpu time spent up to now is 228.5 secs Computing kpt #: 269 total cpu time spent up to now is 229.2 secs Computing kpt #: 270 total cpu time spent up to now is 229.9 secs Computing kpt #: 271 total cpu time spent up to now is 230.6 secs Computing kpt #: 272 total cpu time spent up to now is 231.3 secs Computing kpt #: 273 total cpu time spent up to now is 232.3 secs Computing kpt #: 274 total cpu time spent up to now is 233.0 secs Computing kpt #: 275 total cpu time spent up to now is 233.8 secs Computing kpt #: 276 total cpu time spent up to now is 234.6 secs Computing kpt #: 277 total cpu time spent up to now is 235.3 secs Computing kpt #: 278 total cpu time spent up to now is 236.0 secs Computing kpt #: 279 total cpu time spent up to now is 236.7 secs Computing kpt #: 280 total cpu time spent up to now is 237.4 secs Computing kpt #: 281 total cpu time spent up to now is 238.1 secs Computing kpt #: 282 total cpu time spent up to now is 238.8 secs Computing kpt #: 283 total cpu time spent up to now is 239.7 secs Computing kpt #: 284 total cpu time spent up to now is 240.5 secs Computing kpt #: 285 total cpu time spent up to now is 241.2 secs Computing kpt #: 286 total cpu time spent up to now is 241.8 secs Computing kpt #: 287 total cpu time spent up to now is 242.4 secs Computing kpt #: 288 total cpu time spent up to now is 243.0 secs Computing kpt #: 289 total cpu time spent up to now is 243.6 secs Computing kpt #: 290 total cpu time spent up to now is 244.9 secs Computing kpt #: 291 total cpu time spent up to now is 245.6 secs Computing kpt #: 292 total cpu time spent up to now is 246.2 secs Computing kpt #: 293 total cpu time spent up to now is 246.8 secs Computing kpt #: 294 total cpu time spent up to now is 247.4 secs Computing kpt #: 295 total cpu time spent up to now is 248.0 secs Computing kpt #: 296 total cpu time spent up to now is 248.6 secs Computing kpt #: 297 total cpu time spent up to now is 249.4 secs Computing kpt #: 298 total cpu time spent up to now is 250.2 secs Computing kpt #: 299 total cpu time spent up to now is 250.8 secs Computing kpt #: 300 total cpu time spent up to now is 251.3 secs Computing kpt #: 301 total cpu time spent up to now is 251.9 secs Computing kpt #: 302 total cpu time spent up to now is 252.5 secs Computing kpt #: 303 total cpu time spent up to now is 253.1 secs Computing kpt #: 304 total cpu time spent up to now is 253.8 secs Computing kpt #: 305 total cpu time spent up to now is 254.8 secs Computing kpt #: 306 total cpu time spent up to now is 255.4 secs Computing kpt #: 307 total cpu time spent up to now is 256.0 secs Computing kpt #: 308 total cpu time spent up to now is 256.5 secs Computing kpt #: 309 total cpu time spent up to now is 257.1 secs Computing kpt #: 310 total cpu time spent up to now is 257.7 secs Computing kpt #: 311 total cpu time spent up to now is 258.2 secs Computing kpt #: 312 total cpu time spent up to now is 258.8 secs Computing kpt #: 313 total cpu time spent up to now is 259.7 secs Computing kpt #: 314 total cpu time spent up to now is 260.4 secs Computing kpt #: 315 total cpu time spent up to now is 261.0 secs Computing kpt #: 316 total cpu time spent up to now is 261.6 secs Computing kpt #: 317 total cpu time spent up to now is 262.2 secs Computing kpt #: 318 total cpu time spent up to now is 262.8 secs Computing kpt #: 319 total cpu time spent up to now is 263.4 secs Computing kpt #: 320 total cpu time spent up to now is 263.9 secs Computing kpt #: 321 total cpu time spent up to now is 264.5 secs Computing kpt #: 322 total cpu time spent up to now is 265.2 secs Computing kpt #: 323 total cpu time spent up to now is 266.0 secs Computing kpt #: 324 total cpu time spent up to now is 266.9 secs Computing kpt #: 325 total cpu time spent up to now is 267.5 secs Computing kpt #: 326 total cpu time spent up to now is 268.1 secs Computing kpt #: 327 total cpu time spent up to now is 268.7 secs Computing kpt #: 328 total cpu time spent up to now is 269.2 secs Computing kpt #: 329 total cpu time spent up to now is 269.8 secs Computing kpt #: 330 total cpu time spent up to now is 270.4 secs Computing kpt #: 331 total cpu time spent up to now is 271.1 secs Computing kpt #: 332 total cpu time spent up to now is 271.7 secs Computing kpt #: 333 total cpu time spent up to now is 272.4 secs Computing kpt #: 334 total cpu time spent up to now is 273.1 secs Computing kpt #: 335 total cpu time spent up to now is 274.0 secs Computing kpt #: 336 total cpu time spent up to now is 274.6 secs Computing kpt #: 337 total cpu time spent up to now is 275.3 secs Computing kpt #: 338 total cpu time spent up to now is 275.9 secs Computing kpt #: 339 total cpu time spent up to now is 276.6 secs Computing kpt #: 340 total cpu time spent up to now is 277.3 secs Computing kpt #: 341 total cpu time spent up to now is 278.1 secs Computing kpt #: 342 total cpu time spent up to now is 278.8 secs Computing kpt #: 343 total cpu time spent up to now is 279.7 secs Computing kpt #: 344 total cpu time spent up to now is 280.6 secs Computing kpt #: 345 total cpu time spent up to now is 281.5 secs Computing kpt #: 346 total cpu time spent up to now is 282.2 secs Computing kpt #: 347 total cpu time spent up to now is 282.8 secs Computing kpt #: 348 total cpu time spent up to now is 283.4 secs Computing kpt #: 349 total cpu time spent up to now is 284.1 secs Computing kpt #: 350 total cpu time spent up to now is 284.7 secs Computing kpt #: 351 total cpu time spent up to now is 285.6 secs Computing kpt #: 352 total cpu time spent up to now is 286.3 secs Computing kpt #: 353 total cpu time spent up to now is 287.0 secs Computing kpt #: 354 total cpu time spent up to now is 287.8 secs Computing kpt #: 355 total cpu time spent up to now is 288.5 secs Computing kpt #: 356 total cpu time spent up to now is 289.3 secs Computing kpt #: 357 total cpu time spent up to now is 290.1 secs ethr = 3.85E-11, avg # of iterations = 20.4 total cpu time spent up to now is 290.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1753 PWs) bands (ev): -13.6710 -13.6710 -8.7384 -8.7384 -2.2230 -2.2230 -1.3533 -1.3533 -1.0488 -1.0488 -0.5661 -0.5661 -0.4024 -0.4024 0.0409 0.0409 1.2698 1.2698 1.2706 1.2706 2.1658 2.1658 6.9733 6.9733 6.9955 6.9955 9.0165 9.0165 13.0832 13.0832 13.7643 13.7643 13.8425 13.8425 k = 0.0094-0.0116-0.0072 ( 1749 PWs) bands (ev): -13.6709 -13.6708 -8.7384 -8.7382 -2.2230 -2.2212 -1.3532 -1.3532 -1.0509 -1.0472 -0.5666 -0.5659 -0.4027 -0.4026 0.0402 0.0404 1.2661 1.2688 1.2718 1.2733 2.1662 2.1680 6.9713 6.9714 6.9931 6.9942 9.0184 9.0185 13.0857 13.0862 13.7591 13.7620 13.8388 13.8389 k = 0.0189-0.0231-0.0145 ( 1748 PWs) bands (ev): -13.6704 -13.6703 -8.7380 -8.7378 -2.2214 -2.2177 -1.3532 -1.3532 -1.0535 -1.0461 -0.5674 -0.5660 -0.4036 -0.4034 0.0381 0.0385 1.2604 1.2678 1.2740 1.2748 2.1692 2.1726 6.9648 6.9653 6.9873 6.9891 9.0242 9.0245 13.0940 13.0949 13.7438 13.7502 13.8303 13.8313 k = 0.0283-0.0347-0.0217 ( 1749 PWs) bands (ev): -13.6697 -13.6695 -8.7375 -8.7371 -2.2181 -2.2124 -1.3534 -1.3533 -1.0565 -1.0454 -0.5687 -0.5664 -0.4052 -0.4047 0.0346 0.0352 1.2530 1.2667 1.2754 1.2768 2.1748 2.1797 6.9532 6.9548 6.9791 6.9809 9.0338 9.0342 13.1076 13.1088 13.7144 13.7245 13.8235 13.8254 k = 0.0377-0.0463-0.0290 ( 1748 PWs) bands (ev): -13.6686 -13.6683 -8.7367 -8.7361 -2.2130 -2.2055 -1.3536 -1.3534 -1.0600 -1.0452 -0.5705 -0.5668 -0.4074 -0.4064 0.0298 0.0307 1.2442 1.2645 1.2759 1.2801 2.1829 2.1892 6.9359 6.9391 6.9689 6.9701 9.0472 9.0477 13.1262 13.1274 13.6712 13.6842 13.8213 13.8238 k = 0.0472-0.0578-0.0362 ( 1749 PWs) bands (ev): -13.6672 -13.6669 -8.7356 -8.7349 -2.2064 -2.1969 -1.3540 -1.3536 -1.0640 -1.0453 -0.5728 -0.5675 -0.4103 -0.4084 0.0237 0.0250 1.2341 1.2607 1.2770 1.2841 2.1934 2.2009 6.9131 6.9181 6.9569 6.9573 9.0640 9.0646 13.1491 13.1498 13.6178 13.6336 13.8231 13.8257 k = 0.0566-0.0694-0.0434 ( 1751 PWs) bands (ev): -13.6655 -13.6651 -8.7343 -8.7335 -2.1981 -2.1866 -1.3545 -1.3538 -1.0685 -1.0459 -0.5758 -0.5682 -0.4139 -0.4106 0.0163 0.0181 1.2228 1.2552 1.2790 1.2886 2.2062 2.2148 6.8853 6.8921 6.9427 6.9429 9.0842 9.0848 13.1741 13.1746 13.5589 13.5778 13.8274 13.8299 k = 0.0660-0.0809-0.0507 ( 1751 PWs) bands (ev): -13.6635 -13.6630 -8.7327 -8.7318 -2.1881 -2.1747 -1.3551 -1.3541 -1.0733 -1.0468 -0.5796 -0.5691 -0.4182 -0.4130 0.0077 0.0100 1.2105 1.2480 1.2818 1.2936 2.2213 2.2306 6.8529 6.8612 6.9259 6.9269 9.1074 9.1081 13.1962 13.1992 13.5004 13.5234 13.8336 13.8361 k = 0.0755-0.0925-0.0579 ( 1749 PWs) bands (ev): -13.6612 -13.6606 -8.7309 -8.7298 -2.1767 -2.1611 -1.3559 -1.3543 -1.0786 -1.0480 -0.5841 -0.5699 -0.4231 -0.4154 -0.0020 0.0010 1.1972 1.2395 1.2852 1.2992 2.2385 2.2483 6.8163 6.8261 6.9072 6.9087 9.1334 9.1341 13.2077 13.2143 13.4524 13.4804 13.8413 13.8438 k = 0.0849-0.1041-0.0652 ( 1753 PWs) bands (ev): -13.6586 -13.6580 -8.7288 -8.7277 -2.1637 -2.1460 -1.3571 -1.3546 -1.0842 -1.0496 -0.5896 -0.5707 -0.4289 -0.4178 -0.0128 -0.0090 1.1832 1.2297 1.2893 1.3052 2.2576 2.2677 6.7757 6.7868 6.8864 6.8884 9.1619 9.1626 13.1952 13.2033 13.4324 13.4633 13.8503 13.8528 k = 0.0943-0.1156-0.0724 ( 1747 PWs) bands (ev): -13.6557 -13.6551 -8.7266 -8.7253 -2.1492 -2.1294 -1.3583 -1.3549 -1.0901 -1.0513 -0.5961 -0.5714 -0.4352 -0.4199 -0.0245 -0.0199 1.1685 1.2189 1.2940 1.3118 2.2786 2.2888 6.7317 6.7440 6.8636 6.8661 9.1925 9.1932 13.1537 13.1596 13.4483 13.4781 13.8605 13.8631 k = 0.1038-0.1272-0.0797 ( 1748 PWs) bands (ev): -13.6526 -13.6519 -8.7241 -8.7227 -2.1333 -2.1112 -1.3598 -1.3553 -1.0964 -1.0533 -0.6036 -0.5720 -0.4424 -0.4218 -0.0371 -0.0315 1.1533 1.2071 1.2992 1.3187 2.3011 2.3112 6.6842 6.6977 6.8389 6.8418 9.2248 9.2256 13.0929 13.0958 13.4876 13.5155 13.8719 13.8745 k = 0.1132-0.1388-0.0869 ( 1745 PWs) bands (ev): -13.6492 -13.6484 -8.7214 -8.7199 -2.1161 -2.0917 -1.3615 -1.3557 -1.1028 -1.0554 -0.6124 -0.5725 -0.4502 -0.4234 -0.0505 -0.0439 1.1375 1.1945 1.3049 1.3261 2.3252 2.3351 6.6339 6.6484 6.8123 6.8157 9.2586 9.2593 13.0228 13.0236 13.5392 13.5660 13.8845 13.8872 k = 0.1226-0.1503-0.0941 ( 1743 PWs) bands (ev): -13.6455 -13.6447 -8.7184 -8.7168 -2.0976 -2.0707 -1.3636 -1.3561 -1.1096 -1.0577 -0.6223 -0.5729 -0.4587 -0.4244 -0.0644 -0.0567 1.1215 1.1812 1.3111 1.3337 2.3506 2.3601 6.5808 6.5963 6.7840 6.7877 9.2933 9.2940 12.9483 12.9488 13.5978 13.6242 13.8983 13.9011 k = 0.1321-0.1619-0.1014 ( 1741 PWs) bands (ev): -13.6417 -13.6408 -8.7153 -8.7136 -2.0779 -2.0486 -1.3658 -1.3564 -1.1165 -1.0602 -0.6335 -0.5732 -0.4679 -0.4249 -0.0788 -0.0700 1.1051 1.1672 1.3177 1.3418 2.3773 2.3863 6.5253 6.5417 6.7540 6.7581 9.3285 9.3293 12.8723 12.8737 13.6610 13.6874 13.9136 13.9165 k = 0.1415-0.1734-0.1086 ( 1739 PWs) bands (ev): -13.6375 -13.6366 -8.7120 -8.7102 -2.0571 -2.0253 -1.3684 -1.3567 -1.1236 -1.0627 -0.6459 -0.5735 -0.4775 -0.4249 -0.0934 -0.0836 1.0885 1.1528 1.3246 1.3501 2.4051 2.4134 6.4677 6.4849 6.7225 6.7269 9.3638 9.3646 12.7972 12.7990 13.7269 13.7535 13.9310 13.9338 k = 0.1509-0.1850-0.1159 ( 1737 PWs) bands (ev): -13.6332 -13.6322 -8.7085 -8.7066 -2.0354 -2.0009 -1.3712 -1.3569 -1.1309 -1.0653 -0.6597 -0.5740 -0.4874 -0.4242 -0.1083 -0.0975 1.0717 1.1379 1.3320 1.3586 2.4339 2.4415 6.4082 6.4262 6.6896 6.6943 9.3987 9.3996 12.7239 12.7258 13.7933 13.8196 13.9522 13.9544 k = 0.1604-0.1966-0.1231 ( 1737 PWs) bands (ev): -13.6287 -13.6277 -8.7048 -8.7029 -2.0129 -1.9757 -1.3742 -1.3568 -1.1383 -1.0680 -0.6746 -0.5748 -0.4974 -0.4231 -0.1231 -0.1114 1.0547 1.1226 1.3396 1.3674 2.4636 2.4704 6.3471 6.3658 6.6553 6.6603 9.4326 9.4337 12.6532 12.6550 13.8564 13.8804 13.9810 13.9819 k = 0.1698-0.2081-0.1303 ( 1739 PWs) bands (ev): -13.6240 -13.6230 -8.7010 -8.6990 -1.9896 -1.9499 -1.3773 -1.3564 -1.1458 -1.0708 -0.6908 -0.5765 -0.5069 -0.4213 -0.1377 -0.1253 1.0376 1.1069 1.3475 1.3763 2.4940 2.5000 6.2846 6.3040 6.6198 6.6250 9.4652 9.4664 12.5857 12.5873 13.9095 13.9266 14.0201 14.0285 k = 0.1792-0.2197-0.1376 ( 1737 PWs) bands (ev): -13.6192 -13.6181 -8.6970 -8.6949 -1.9658 -1.9235 -1.3805 -1.3554 -1.1533 -1.0735 -0.7081 -0.5798 -0.5151 -0.4189 -0.1519 -0.1390 1.0204 1.0909 1.3557 1.3855 2.5251 2.5303 6.2207 6.2408 6.5832 6.5888 9.4957 9.4972 12.5222 12.5232 13.9476 13.9574 14.0758 14.0924 k = 0.1887-0.2313-0.1448 ( 1738 PWs) bands (ev): -13.6142 -13.6131 -8.6929 -8.6907 -1.9417 -1.8968 -1.3839 -1.3539 -1.1609 -1.0762 -0.7263 -0.5855 -0.5209 -0.4159 -0.1656 -0.1524 1.0030 1.0746 1.3640 1.3946 2.5569 2.5611 6.1560 6.1766 6.5457 6.5515 9.5238 9.5255 12.4629 12.4634 13.9749 13.9806 14.1432 14.1649 k = 0.1981-0.2428-0.1521 ( 1732 PWs) bands (ev): -13.6091 -13.6079 -8.6886 -8.6864 -1.9175 -1.8702 -1.3871 -1.3513 -1.1684 -1.0788 -0.7455 -0.5942 -0.5238 -0.4123 -0.1787 -0.1655 0.9856 1.0581 1.3726 1.4040 2.5891 2.5925 6.0905 6.1116 6.5073 6.5133 9.5488 9.5509 12.4084 12.4086 13.9974 14.0010 14.2158 14.2407 k = 0.2075-0.2544-0.1593 ( 1730 PWs) bands (ev): -13.6038 -13.6027 -8.6843 -8.6820 -1.8933 -1.8440 -1.3902 -1.3477 -1.1760 -1.0813 -0.7655 -0.6055 -0.5240 -0.4083 -0.1911 -0.1780 0.9680 1.0413 1.3812 1.4133 2.6217 2.6242 6.0245 6.0461 6.4683 6.4746 9.5703 9.5728 12.3585 12.3595 14.0177 14.0201 14.2902 14.3175 k = 0.2170-0.2660-0.1666 ( 1733 PWs) bands (ev): -13.5985 -13.5973 -8.6798 -8.6776 -1.8696 -1.8185 -1.3932 -1.3427 -1.1834 -1.0838 -0.7863 -0.6187 -0.5221 -0.4039 -0.2027 -0.1900 0.9502 1.0242 1.3900 1.4226 2.6545 2.6561 5.9580 5.9800 6.4288 6.4352 9.5879 9.5908 12.3142 12.3161 14.0370 14.0387 14.3643 14.3937 k = 0.2264-0.2775-0.1738 ( 1737 PWs) bands (ev): -13.5931 -13.5919 -8.6753 -8.6730 -1.8464 -1.7943 -1.3960 -1.3361 -1.1907 -1.0861 -0.8076 -0.6331 -0.5185 -0.3991 -0.2133 -0.2013 0.9321 1.0067 1.3988 1.4318 2.6876 2.6884 5.8913 5.9137 6.3887 6.3953 9.6011 9.6045 12.2757 12.2786 14.0558 14.0570 14.4369 14.4683 k = 0.2358-0.2891-0.1810 ( 1735 PWs) bands (ev): -13.5876 -13.5864 -8.6707 -8.6684 -1.8242 -1.7716 -1.3985 -1.3278 -1.1973 -1.0882 -0.8294 -0.6480 -0.5136 -0.3940 -0.2229 -0.2117 0.9139 0.9890 1.4076 1.4410 2.7207 2.7209 5.8246 5.8473 6.3485 6.3552 9.6096 9.6135 12.2433 12.2472 14.0742 14.0752 14.5068 14.5402 k = 0.2453-0.3006-0.1883 ( 1737 PWs) bands (ev): -13.5822 -13.5809 -8.6661 -8.6637 -1.8031 -1.7509 -1.4007 -1.3180 -1.2029 -1.0900 -0.8514 -0.6629 -0.5078 -0.3888 -0.2316 -0.2212 0.8953 0.9708 1.4166 1.4501 2.7532 2.7541 5.7580 5.7810 6.3081 6.3149 9.6134 9.6178 12.2169 12.2219 14.0925 14.0932 14.5725 14.6083 k = 0.2547-0.3122-0.1955 ( 1741 PWs) bands (ev): -13.5766 -13.5754 -8.6614 -8.6590 -1.7837 -1.7327 -1.4025 -1.3075 -1.2065 -1.0915 -0.8734 -0.6772 -0.5012 -0.3836 -0.2393 -0.2296 0.8763 0.9522 1.4255 1.4592 2.7858 2.7875 5.6916 5.7148 6.2677 6.2746 9.6123 9.6172 12.1966 12.2027 14.1105 14.1111 14.6327 14.6711 k = 0.2642-0.3238-0.2028 ( 1743 PWs) bands (ev): -13.5711 -13.5699 -8.6567 -8.6543 -1.7658 -1.7170 -1.4041 -1.2979 -1.2062 -1.0928 -0.8954 -0.6903 -0.4940 -0.3785 -0.2459 -0.2368 0.8570 0.9332 1.4344 1.4681 2.8182 2.8207 5.6258 5.6492 6.2274 6.2344 9.6063 9.6118 12.1821 12.1892 14.1283 14.1288 14.6856 14.7270 k = 0.2736-0.3353-0.2100 ( 1745 PWs) bands (ev): -13.5656 -13.5644 -8.6520 -8.6496 -1.7499 -1.7040 -1.4056 -1.2917 -1.1996 -1.0939 -0.9170 -0.7019 -0.4861 -0.3737 -0.2515 -0.2426 0.8371 0.9137 1.4432 1.4768 2.8504 2.8537 5.5606 5.5842 6.1874 6.1944 9.5957 9.6016 12.1730 12.1812 14.1458 14.1463 14.7292 14.7741 k = 0.2830-0.3469-0.2172 ( 1745 PWs) bands (ev): -13.5602 -13.5590 -8.6473 -8.6450 -1.7360 -1.6936 -1.4069 -1.2906 -1.1851 -1.0950 -0.9380 -0.7113 -0.4778 -0.3695 -0.2558 -0.2466 0.8169 0.8937 1.4519 1.4853 2.8825 2.8864 5.4962 5.5198 6.1478 6.1548 9.5808 9.5872 12.1690 12.1782 14.1631 14.1635 14.7618 14.8102 k = 0.2925-0.3585-0.2245 ( 1743 PWs) bands (ev): -13.5548 -13.5536 -8.6426 -8.6403 -1.7243 -1.6856 -1.4083 -1.2942 -1.1639 -1.0962 -0.9579 -0.7182 -0.4691 -0.3660 -0.2590 -0.2489 0.7961 0.8731 1.4606 1.4937 2.9143 2.9189 5.4327 5.4564 6.1088 6.1158 9.5619 9.5687 12.1696 12.1796 14.1801 14.1805 14.7820 14.8337 k = 0.3019-0.3700-0.2317 ( 1745 PWs) bands (ev): -13.5495 -13.5483 -8.6380 -8.6357 -1.7146 -1.6799 -1.4101 -1.3010 -1.1383 -1.0978 -0.9761 -0.7219 -0.4603 -0.3636 -0.2610 -0.2491 0.7746 0.8518 1.4691 1.5018 2.9457 2.9509 5.3703 5.3939 6.0704 6.0774 9.5396 9.5466 12.1740 12.1849 14.1967 14.1971 14.7896 14.8439 k = 0.3113-0.3816-0.2390 ( 1748 PWs) bands (ev): -13.5443 -13.5431 -8.6335 -8.6312 -1.7068 -1.6761 -1.4124 -1.3097 -1.1111 -1.1000 -0.9912 -0.7223 -0.4511 -0.3622 -0.2616 -0.2473 0.7526 0.8299 1.4774 1.5095 2.9767 2.9824 5.3091 5.3326 6.0328 6.0396 9.5143 9.5215 12.1818 12.1933 14.2129 14.2133 14.7859 14.8416 k = 0.3208-0.3931-0.2462 ( 1750 PWs) bands (ev): -13.5392 -13.5381 -8.6290 -8.6268 -1.7008 -1.6738 -1.4152 -1.3198 -1.1030 -1.0875 -0.9990 -0.7192 -0.4418 -0.3618 -0.2610 -0.2436 0.7299 0.8073 1.4856 1.5171 3.0072 3.0134 5.2493 5.2726 5.9961 6.0029 9.4865 9.4939 12.1920 12.2041 14.2286 14.2291 14.7734 14.8293 k = 0.3302-0.4047-0.2535 ( 1750 PWs) bands (ev): -13.5342 -13.5332 -8.6246 -8.6225 -1.6964 -1.6728 -1.4187 -1.3307 -1.1070 -1.0764 -0.9912 -0.7126 -0.4324 -0.3622 -0.2589 -0.2381 0.7065 0.7840 1.4937 1.5243 3.0372 3.0438 5.1911 5.2141 5.9604 5.9671 9.4568 9.4643 12.2043 12.2168 14.2439 14.2445 14.7550 14.8101 k = 0.3396-0.4163-0.2607 ( 1750 PWs) bands (ev): -13.5294 -13.5284 -8.6204 -8.6183 -1.6933 -1.6729 -1.4229 -1.3422 -1.1119 -1.0798 -0.9665 -0.7028 -0.4228 -0.3631 -0.2552 -0.2310 0.6823 0.7598 1.5015 1.5312 3.0665 3.0735 5.1346 5.1573 5.9259 5.9324 9.4258 9.4333 12.2178 12.2306 14.2587 14.2593 14.7334 14.7869 k = 0.3491-0.4278-0.2679 ( 1746 PWs) bands (ev): -13.5248 -13.5238 -8.6162 -8.6143 -1.6914 -1.6738 -1.4277 -1.3541 -1.1175 -1.0899 -0.9331 -0.6903 -0.4131 -0.3642 -0.2497 -0.2225 0.6574 0.7349 1.5091 1.5378 3.0951 3.1024 5.0799 5.1022 5.8927 5.8990 9.3940 9.4014 12.2321 12.2450 14.2729 14.2736 14.7106 14.7620 k = 0.3585-0.4394-0.2752 ( 1742 PWs) bands (ev): -13.5203 -13.5194 -8.6123 -8.6104 -1.6904 -1.6753 -1.4331 -1.3662 -1.1239 -1.1018 -0.8963 -0.6759 -0.4033 -0.3654 -0.2424 -0.2128 0.6317 0.7090 1.5164 1.5440 3.1229 3.1304 5.0273 5.0491 5.8608 5.8670 9.3618 9.3691 12.2467 12.2595 14.2865 14.2872 14.6881 14.7371 k = 0.3679-0.4510-0.2824 ( 1748 PWs) bands (ev): -13.5161 -13.5152 -8.6085 -8.6067 -1.6902 -1.6773 -1.4390 -1.3786 -1.1308 -1.1139 -0.8585 -0.6602 -0.3934 -0.3665 -0.2332 -0.2023 0.6052 0.6823 1.5234 1.5498 3.1497 3.1574 4.9768 4.9980 5.8304 5.8363 9.3298 9.3368 12.2610 12.2737 14.2994 14.3002 14.6670 14.7132 k = 0.3774-0.4625-0.2897 ( 1748 PWs) bands (ev): -13.5121 -13.5112 -8.6048 -8.6031 -1.6906 -1.6796 -1.4453 -1.3909 -1.1379 -1.1254 -0.8206 -0.6440 -0.3834 -0.3671 -0.2217 -0.1907 0.5779 0.6547 1.5302 1.5552 3.1756 3.1834 4.9288 4.9492 5.8017 5.8073 9.2983 9.3051 12.2748 12.2872 14.3117 14.3125 14.6479 14.6913 k = 0.3868-0.4741-0.2969 ( 1749 PWs) bands (ev): -13.5083 -13.5074 -8.6014 -8.5998 -1.6915 -1.6821 -1.4517 -1.4029 -1.1450 -1.1361 -0.7834 -0.6280 -0.3735 -0.3672 -0.2077 -0.1781 0.5499 0.6261 1.5366 1.5602 3.2003 3.2081 4.8832 4.9028 5.7747 5.7800 9.2677 9.2742 12.2878 12.2997 14.3233 14.3241 14.6312 14.6716 k = 0.3962-0.4857-0.3041 ( 1745 PWs) bands (ev): -13.5047 -13.5039 -8.5982 -8.5967 -1.6926 -1.6847 -1.4582 -1.4147 -1.1520 -1.1458 -0.7475 -0.6128 -0.3666 -0.3637 -0.1912 -0.1645 0.5212 0.5968 1.5428 1.5649 3.2239 3.2316 4.8405 4.8591 5.7494 5.7544 9.2384 9.2445 12.2998 12.3111 14.3341 14.3350 14.6169 14.6543 k = 0.4057-0.4972-0.3114 ( 1744 PWs) bands (ev): -13.5014 -13.5007 -8.5952 -8.5938 -1.6940 -1.6874 -1.4645 -1.4260 -1.1587 -1.1547 -0.7136 -0.5989 -0.3651 -0.3543 -0.1719 -0.1498 0.4918 0.5666 1.5486 1.5690 3.2462 3.2537 4.8006 4.8182 5.7261 5.7308 9.2107 9.2164 12.3106 12.3212 14.3441 14.3450 14.6052 14.6394 k = 0.4151-0.5088-0.3186 ( 1744 PWs) bands (ev): -13.4984 -13.4977 -8.5924 -8.5912 -1.6955 -1.6899 -1.4706 -1.4367 -1.1650 -1.1627 -0.6823 -0.5865 -0.3627 -0.3457 -0.1501 -0.1339 0.4621 0.5356 1.5540 1.5727 3.2670 3.2742 4.7638 4.7802 5.7048 5.7090 9.1849 9.1901 12.3202 12.3300 14.3533 14.3541 14.5958 14.6267 k = 0.4245-0.5203-0.3259 ( 1746 PWs) bands (ev): -13.4956 -13.4951 -8.5899 -8.5888 -1.6970 -1.6924 -1.4763 -1.4468 -1.1709 -1.1696 -0.6539 -0.5759 -0.3593 -0.3379 -0.1258 -0.1168 0.4320 0.5040 1.5590 1.5758 3.2862 3.2930 4.7303 4.7453 5.6855 5.6893 9.1612 9.1659 12.3286 12.3375 14.3616 14.3624 14.5886 14.6162 k = 0.4340-0.5319-0.3331 ( 1748 PWs) bands (ev): -13.4932 -13.4927 -8.5876 -8.5867 -1.6985 -1.6948 -1.4814 -1.4561 -1.1762 -1.1758 -0.6290 -0.5669 -0.3549 -0.3312 -0.0996 -0.0982 0.4020 0.4719 1.5636 1.5785 3.3037 3.3100 4.7003 4.7138 5.6683 5.6717 9.1398 9.1440 12.3359 12.3438 14.3690 14.3697 14.5833 14.6076 k = 0.4434-0.5435-0.3404 ( 1750 PWs) bands (ev): -13.4911 -13.4906 -8.5857 -8.5848 -1.6999 -1.6969 -1.4859 -1.4645 -1.1810 -1.1809 -0.6077 -0.5597 -0.3497 -0.3256 -0.0784 -0.0722 0.3725 0.4395 1.5678 1.5807 3.3194 3.3250 4.6739 4.6859 5.6533 5.6563 9.1210 9.1246 12.3420 12.3489 14.3755 14.3761 14.5796 14.6005 k = 0.4528-0.5550-0.3476 ( 1750 PWs) bands (ev): -13.4892 -13.4889 -8.5840 -8.5832 -1.7011 -1.6988 -1.4895 -1.4720 -1.1853 -1.1850 -0.5901 -0.5540 -0.3439 -0.3212 -0.0573 -0.0444 0.3442 0.4073 1.5715 1.5824 3.3330 3.3380 4.6515 4.6616 5.6406 5.6431 9.1048 9.1079 12.3471 12.3529 14.3810 14.3816 14.5774 14.5948 k = 0.4623-0.5666-0.3548 ( 1748 PWs) bands (ev): -13.4877 -13.4874 -8.5825 -8.5820 -1.7021 -1.7003 -1.4923 -1.4784 -1.1888 -1.1883 -0.5760 -0.5498 -0.3379 -0.3181 -0.0356 -0.0177 0.3182 0.3756 1.5748 1.5836 3.3446 3.3487 4.6330 4.6413 5.6302 5.6322 9.0915 9.0940 12.3512 12.3559 14.3856 14.3861 14.5762 14.5903 k = 0.4717-0.5782-0.3621 ( 1746 PWs) bands (ev): -13.4865 -13.4863 -8.5814 -8.5810 -1.7029 -1.7016 -1.4942 -1.4839 -1.1914 -1.1910 -0.5650 -0.5470 -0.3320 -0.3162 -0.0139 0.0061 0.2961 0.3453 1.5777 1.5843 3.3538 3.3570 4.6188 4.6251 5.6221 5.6236 9.0811 9.0830 12.3544 12.3580 14.3892 14.3896 14.5760 14.5865 k = 0.4811-0.5897-0.3693 ( 1747 PWs) bands (ev): -13.4857 -13.4855 -8.5806 -8.5803 -1.7035 -1.7026 -1.4951 -1.4883 -1.1933 -1.1930 -0.5569 -0.5457 -0.3267 -0.3158 0.0064 0.0243 0.2806 0.3178 1.5800 1.5845 3.3606 3.3628 4.6088 4.6131 5.6164 5.6174 9.0737 9.0749 12.3568 12.3592 14.3919 14.3921 14.5765 14.5835 k = 0.4906-0.6013-0.3766 ( 1752 PWs) bands (ev): -13.4851 -13.4851 -8.5801 -8.5799 -1.7038 -1.7033 -1.4951 -1.4917 -1.1944 -1.1942 -0.5513 -0.5459 -0.3224 -0.3168 0.0230 0.0339 0.2743 0.2948 1.5819 1.5842 3.3650 3.3661 4.6032 4.6053 5.6130 5.6136 9.0693 9.0700 12.3585 12.3597 14.3935 14.3936 14.5775 14.5810 k = 0.5000-0.6128-0.3838 ( 1754 PWs) bands (ev): -13.4849 -13.4849 -8.5798 -8.5798 -1.7038 -1.7038 -1.4939 -1.4939 -1.1947 -1.1947 -0.5476 -0.5476 -0.3190 -0.3190 0.0332 0.0332 0.2794 0.2794 1.5833 1.5833 3.3668 3.3668 4.6020 4.6020 5.6121 5.6121 9.0681 9.0681 12.3595 12.3595 14.3940 14.3940 14.5790 14.5790 k = 0.5000-0.6128-0.3838 ( 1754 PWs) bands (ev): -13.4849 -13.4849 -8.5798 -8.5798 -1.7038 -1.7038 -1.4939 -1.4939 -1.1947 -1.1947 -0.5476 -0.5476 -0.3190 -0.3190 0.0332 0.0332 0.2794 0.2794 1.5833 1.5833 3.3668 3.3668 4.6020 4.6020 5.6121 5.6121 9.0681 9.0681 12.3595 12.3595 14.3940 14.3940 14.5790 14.5790 k = 0.5000-0.6040-0.3980 ( 1756 PWs) bands (ev): -13.4849 -13.4849 -8.5798 -8.5797 -1.7072 -1.6995 -1.4966 -1.4908 -1.2002 -1.1896 -0.5497 -0.5460 -0.3364 -0.3066 0.0212 0.0511 0.2770 0.2819 1.5800 1.5850 3.3657 3.3666 4.6015 4.6033 5.6088 5.6113 9.0694 9.0708 12.3598 12.3635 14.3903 14.3919 14.5777 14.5790 k = 0.5000-0.5951-0.4121 ( 1752 PWs) bands (ev): -13.4848 -13.4847 -8.5796 -8.5793 -1.7097 -1.6945 -1.4988 -1.4873 -1.2061 -1.1848 -0.5521 -0.5447 -0.3571 -0.3005 0.0163 0.0737 0.2748 0.2846 1.5755 1.5855 3.3634 3.3652 4.6018 4.6053 5.6017 5.6066 9.0747 9.0775 12.3643 12.3718 14.3808 14.3840 14.5753 14.5779 k = 0.5000-0.5863-0.4263 ( 1752 PWs) bands (ev): -13.4846 -13.4844 -8.5792 -8.5788 -1.7115 -1.6886 -1.5008 -1.4833 -1.2124 -1.1802 -0.5549 -0.5440 -0.3800 -0.3012 0.0187 0.0996 0.2725 0.2876 1.5697 1.5846 3.3599 3.3626 4.6027 4.6080 5.5909 5.5982 9.0839 9.0880 12.3730 12.3843 14.3660 14.3706 14.5716 14.5757 k = 0.5000-0.5774-0.4404 ( 1752 PWs) bands (ev): -13.4843 -13.4841 -8.5786 -8.5781 -1.7126 -1.6820 -1.5024 -1.4788 -1.2191 -1.1758 -0.5581 -0.5440 -0.4038 -0.3083 0.0278 0.1279 0.2703 0.2912 1.5626 1.5826 3.3551 3.3586 4.6042 4.6113 5.5765 5.5863 9.0968 9.1024 12.3857 12.4008 14.3464 14.3522 14.5667 14.5723 k = 0.5000-0.5685-0.4546 ( 1752 PWs) bands (ev): -13.4839 -13.4836 -8.5778 -8.5772 -1.7130 -1.6747 -1.5038 -1.4738 -1.2261 -1.1714 -0.5619 -0.5450 -0.4273 -0.3205 0.0418 0.1576 0.2684 0.2955 1.5544 1.5794 3.3489 3.3533 4.6062 4.6151 5.5591 5.5713 9.1134 9.1203 12.4018 12.4209 14.3227 14.3295 14.5606 14.5677 k = 0.5000-0.5597-0.4687 ( 1752 PWs) bands (ev): -13.4835 -13.4831 -8.5769 -8.5761 -1.7129 -1.6669 -1.5050 -1.4682 -1.2334 -1.1668 -0.5667 -0.5473 -0.4491 -0.3363 0.0589 0.1875 0.2672 0.3009 1.5453 1.5752 3.3412 3.3465 4.6085 4.6194 5.5390 5.5538 9.1334 9.1416 12.4211 12.4443 14.2958 14.3033 14.5533 14.5621 k = 0.5000-0.5508-0.4829 ( 1752 PWs) bands (ev): -13.4829 -13.4825 -8.5758 -8.5749 -1.7123 -1.6585 -1.5060 -1.4622 -1.2408 -1.1620 -0.5732 -0.5513 -0.4678 -0.3545 0.0772 0.2154 0.2686 0.3079 1.5354 1.5704 3.3320 3.3381 4.6110 4.6238 5.5168 5.5343 9.1565 9.1661 12.4430 12.4705 14.2666 14.2745 14.5450 14.5553 k = 0.5000-0.5419-0.4970 ( 1752 PWs) bands (ev): -13.4823 -13.4818 -8.5746 -8.5735 -1.7112 -1.6499 -1.5070 -1.4556 -1.2482 -1.1566 -0.5829 -0.5564 -0.4821 -0.3741 0.0952 0.2349 0.2784 0.3168 1.5250 1.5649 3.3211 3.3281 4.6134 4.6283 5.4933 5.5134 9.1826 9.1935 12.4669 12.4988 14.2359 14.2440 14.5355 14.5475 k = 0.5000-0.5331-0.5112 ( 1756 PWs) bands (ev): -13.4816 -13.4810 -8.5732 -8.5720 -1.7099 -1.6411 -1.5079 -1.4486 -1.2553 -1.1507 -0.5970 -0.5617 -0.4918 -0.3944 0.1115 0.2411 0.3011 0.3281 1.5142 1.5592 3.3083 3.3162 4.6155 4.6324 5.4690 5.4918 9.2114 9.2235 12.4920 12.5285 14.2049 14.2130 14.5250 14.5386 k = 0.5000-0.5242-0.5253 ( 1752 PWs) bands (ev): -13.4808 -13.4802 -8.5716 -8.5703 -1.7084 -1.6322 -1.5088 -1.4412 -1.2617 -1.1438 -0.6150 -0.5664 -0.4976 -0.4148 0.1252 0.2407 0.3293 0.3424 1.5035 1.5535 3.2937 3.3025 4.6171 4.6361 5.4448 5.4703 9.2427 9.2560 12.5173 12.5586 14.1746 14.1827 14.5136 14.5288 k = 0.5000-0.5154-0.5395 ( 1752 PWs) bands (ev): -13.4800 -13.4793 -8.5700 -8.5686 -1.7069 -1.6236 -1.5099 -1.4337 -1.2672 -1.1360 -0.6355 -0.5707 -0.5010 -0.4349 0.1359 0.2381 0.3545 0.3634 1.4930 1.5479 3.2769 3.2867 4.6177 4.6387 5.4216 5.4497 9.2761 9.2906 12.5420 12.5882 14.1461 14.1542 14.5013 14.5180 k = 0.5000-0.5065-0.5536 ( 1750 PWs) bands (ev): -13.4791 -13.4784 -8.5682 -8.5667 -1.7054 -1.6155 -1.5110 -1.4261 -1.2712 -1.1271 -0.6571 -0.5746 -0.5031 -0.4542 0.1435 0.2346 0.3738 0.3918 1.4831 1.5430 3.2579 3.2687 4.6173 4.6402 5.4000 5.4308 9.3115 9.3272 12.5649 12.6161 14.1206 14.1287 14.4884 14.5066 k = 0.5000-0.4976-0.5678 ( 1754 PWs) bands (ev): -13.4782 -13.4774 -8.5664 -8.5648 -1.7042 -1.6081 -1.5123 -1.4190 -1.2733 -1.1170 -0.6790 -0.5783 -0.5052 -0.4721 0.1482 0.2304 0.3932 0.4203 1.4741 1.5388 3.2365 3.2484 4.6154 4.6400 5.3810 5.4142 9.3486 9.3654 12.5849 12.6410 14.0990 14.1074 14.4748 14.4945 k = 0.5000-0.4888-0.5819 ( 1752 PWs) bands (ev): -13.4773 -13.4764 -8.5645 -8.5628 -1.7033 -1.6016 -1.5137 -1.4126 -1.2726 -1.1055 -0.7007 -0.5820 -0.5096 -0.4862 0.1503 0.2259 0.4129 0.4477 1.4664 1.5358 3.2126 3.2256 4.6120 4.6379 5.3654 5.4007 9.3872 9.4052 12.6008 12.6617 14.0826 14.0911 14.4611 14.4821 k = 0.5000-0.4799-0.5961 ( 1752 PWs) bands (ev): -13.4763 -13.4754 -8.5625 -8.5607 -1.7028 -1.5962 -1.5152 -1.4072 -1.2690 -1.0927 -0.7219 -0.5856 -0.5200 -0.4930 0.1503 0.2211 0.4323 0.4732 1.4604 1.5343 3.1861 3.2003 4.6068 4.6337 5.3536 5.3907 9.4272 9.4463 12.6115 12.6770 14.0721 14.0806 14.4475 14.4698 k = 0.5000-0.4710-0.6102 ( 1754 PWs) bands (ev): -13.4753 -13.4744 -8.5605 -8.5587 -1.7029 -1.5924 -1.5166 -1.4029 -1.2620 -1.0785 -0.7423 -0.5895 -0.5343 -0.4944 0.1486 0.2160 0.4508 0.4967 1.4562 1.5345 3.1569 3.1724 4.6000 4.6274 5.3461 5.3847 9.4683 9.4886 12.6162 12.6857 14.0680 14.0758 14.4345 14.4581 k = 0.5000-0.4622-0.6244 ( 1748 PWs) bands (ev): -13.4743 -13.4734 -8.5585 -8.5566 -1.7035 -1.5901 -1.5178 -1.3996 -1.2518 -1.0629 -0.7616 -0.5937 -0.5487 -0.4938 0.1454 0.2106 0.4680 0.5178 1.4543 1.5367 3.1250 3.1419 4.5916 4.6191 5.3433 5.3830 9.5105 9.5319 12.6144 12.6872 14.0703 14.0766 14.4231 14.4479 k = 0.5000-0.4533-0.6385 ( 1754 PWs) bands (ev): -13.4734 -13.4724 -8.5566 -8.5545 -1.7049 -1.5897 -1.5187 -1.3970 -1.2389 -1.0461 -0.7799 -0.5990 -0.5619 -0.4925 0.1409 0.2049 0.4834 0.5362 1.4546 1.5408 3.0902 3.1087 4.5819 4.6089 5.3451 5.3853 9.5536 9.5760 12.6057 12.6812 14.0780 14.0817 14.4144 14.4401 k = 0.5000-0.4444-0.6527 ( 1756 PWs) bands (ev): -13.4724 -13.4714 -8.5546 -8.5525 -1.7069 -1.5912 -1.5190 -1.3947 -1.2238 -1.0282 -0.7968 -0.6059 -0.5727 -0.4905 0.1355 0.1991 0.4968 0.5521 1.4574 1.5471 3.0528 3.0730 4.5712 4.5972 5.3514 5.3918 9.5974 9.6210 12.5904 12.6678 14.0886 14.0894 14.4102 14.4366 k = 0.5000-0.4356-0.6669 ( 1754 PWs) bands (ev): -13.4714 -13.4704 -8.5527 -8.5505 -1.7096 -1.5944 -1.5186 -1.3922 -1.2070 -1.0095 -0.8120 -0.6149 -0.5804 -0.4880 0.1293 0.1930 0.5080 0.5653 1.4627 1.5556 3.0129 3.0348 4.5599 4.5846 5.3619 5.4023 9.6420 9.6666 12.5687 12.6474 14.0957 14.1009 14.4127 14.4394 k = 0.5000-0.4267-0.6810 ( 1752 PWs) bands (ev): -13.4705 -13.4695 -8.5509 -8.5486 -1.7129 -1.5994 -1.5177 -1.3895 -1.1892 -0.9901 -0.8251 -0.6255 -0.5854 -0.4852 0.1225 0.1868 0.5172 0.5758 1.4703 1.5661 2.9705 2.9943 4.5484 4.5715 5.3764 5.4163 9.6871 9.7128 12.5415 12.6209 14.0993 14.1097 14.4243 14.4505 k = 0.5000-0.4179-0.6952 ( 1754 PWs) bands (ev): -13.4697 -13.4686 -8.5491 -8.5469 -1.7169 -1.6058 -1.5163 -1.3865 -1.1710 -0.9708 -0.8358 -0.6369 -0.5886 -0.4819 0.1151 0.1803 0.5242 0.5840 1.4799 1.5784 2.9260 2.9517 4.5371 4.5583 5.3943 5.4336 9.7328 9.7595 12.5095 12.5891 14.0973 14.1128 14.4462 14.4709 k = 0.5000-0.4090-0.7093 ( 1750 PWs) bands (ev): -13.4689 -13.4678 -8.5475 -8.5452 -1.7215 -1.6133 -1.5144 -1.3830 -1.1530 -0.9522 -0.8430 -0.6483 -0.5905 -0.4782 0.1074 0.1738 0.5295 0.5900 1.4914 1.5922 2.8796 2.9075 4.5264 4.5456 5.4152 5.4539 9.7790 9.8068 12.4735 12.5529 14.0892 14.1089 14.4783 14.5006 k = 0.5000-0.4001-0.7235 ( 1754 PWs) bands (ev): -13.4682 -13.4671 -8.5460 -8.5437 -1.7266 -1.6216 -1.5122 -1.3792 -1.1360 -0.9356 -0.8456 -0.6595 -0.5917 -0.4742 0.0995 0.1673 0.5330 0.5941 1.5040 1.6070 2.8317 2.8619 4.5166 4.5337 5.4388 5.4766 9.8255 9.8544 12.4344 12.5135 14.0753 14.0983 14.5186 14.5378 k = 0.5000-0.3913-0.7376 ( 1754 PWs) bands (ev): -13.4676 -13.4664 -8.5447 -8.5424 -1.7320 -1.6305 -1.5096 -1.3750 -1.1204 -0.9222 -0.8422 -0.6702 -0.5921 -0.4698 0.0916 0.1608 0.5353 0.5966 1.5174 1.6225 2.7828 2.8154 4.5079 4.5228 5.4645 5.5016 9.8725 9.9025 12.3929 12.4716 14.0566 14.0821 14.5646 14.5805 k = 0.5000-0.3824-0.7518 ( 1752 PWs) bands (ev): -13.4670 -13.4659 -8.5436 -8.5412 -1.7378 -1.6398 -1.5068 -1.3706 -1.1068 -0.9122 -0.8325 -0.6802 -0.5918 -0.4649 0.0837 0.1545 0.5365 0.5980 1.5309 1.6380 2.7333 2.7686 4.5005 4.5133 5.4922 5.5284 9.9199 9.9510 12.3500 12.4280 14.0341 14.0616 14.6137 14.6262 k = 0.5000-0.3735-0.7659 ( 1752 PWs) bands (ev): -13.4666 -13.4655 -8.5427 -8.5403 -1.7439 -1.6493 -1.5037 -1.3660 -1.0958 -0.9043 -0.8181 -0.6894 -0.5908 -0.4598 0.0761 0.1485 0.5370 0.5985 1.5437 1.6530 2.6841 2.7220 4.4947 4.5054 5.5214 5.5568 9.9677 9.9999 12.3061 12.3836 14.0086 14.0377 14.6633 14.6731 k = 0.5000-0.3647-0.7801 ( 1750 PWs) bands (ev): -13.4663 -13.4652 -8.5420 -8.5396 -1.7502 -1.6589 -1.5004 -1.3613 -1.0875 -0.8966 -0.8011 -0.6977 -0.5892 -0.4543 0.0688 0.1429 0.5372 0.5987 1.5553 1.6666 2.6356 2.6764 4.4905 4.4991 5.5519 5.5865 10.0158 10.0490 12.2620 12.3390 13.9809 14.0112 14.7113 14.7196 k = 0.5000-0.3558-0.7942 ( 1750 PWs) bands (ev): -13.4661 -13.4650 -8.5415 -8.5391 -1.7567 -1.6684 -1.4969 -1.3565 -1.0817 -0.8882 -0.7838 -0.7047 -0.5870 -0.4485 0.0620 0.1379 0.5372 0.5986 1.5647 1.6782 2.5888 2.6325 4.4880 4.4945 5.5833 5.6171 10.0642 10.0986 12.2181 12.2946 13.9512 13.9826 14.7555 14.7642 k = 0.5000-0.3470-0.8084 ( 1752 PWs) bands (ev): -13.4661 -13.4649 -8.5413 -8.5389 -1.7632 -1.6777 -1.4933 -1.3518 -1.0782 -0.8789 -0.7676 -0.7098 -0.5842 -0.4426 0.0557 0.1335 0.5374 0.5987 1.5711 1.6866 2.5446 2.5909 4.4873 4.4918 5.6155 5.6486 10.1129 10.1484 12.1750 12.2511 13.9200 13.9524 14.7949 14.8053 k = 0.5000-0.3381-0.8225 ( 1750 PWs) bands (ev): -13.4662 -13.4651 -8.5415 -8.5390 -1.7697 -1.6869 -1.4894 -1.3470 -1.0761 -0.8689 -0.7550 -0.7112 -0.5808 -0.4365 0.0501 0.1301 0.5380 0.5994 1.5739 1.6912 2.5038 2.5526 4.4883 4.4909 5.6482 5.6806 10.1619 10.1986 12.1332 12.2090 13.8876 13.9208 14.8287 14.8415 k = 0.5000-0.3292-0.8367 ( 1750 PWs) bands (ev): -13.4665 -13.4653 -8.5419 -8.5395 -1.7761 -1.6959 -1.4853 -1.3424 -1.0752 -0.8589 -0.7487 -0.7066 -0.5769 -0.4305 0.0453 0.1278 0.5394 0.6010 1.5722 1.6909 2.4675 2.5182 4.4911 4.4919 5.6812 5.7129 10.2112 10.2491 12.0929 12.1685 13.8541 13.8882 14.8565 14.8716 k = 0.5000-0.3204-0.8508 ( 1754 PWs) bands (ev): -13.4669 -13.4658 -8.5426 -8.5402 -1.7826 -1.7045 -1.4811 -1.3380 -1.0747 -0.8495 -0.7482 -0.6967 -0.5728 -0.4246 0.0411 0.1266 0.5417 0.6036 1.5655 1.6851 2.4364 2.4884 4.4947 4.4958 5.7143 5.7454 10.2608 10.2999 12.0547 12.1302 13.8198 13.8546 14.8778 14.8952 k = 0.5000-0.3115-0.8650 ( 1752 PWs) bands (ev): -13.4675 -13.4664 -8.5437 -8.5413 -1.7888 -1.7128 -1.4766 -1.3337 -1.0742 -0.8412 -0.7500 -0.6848 -0.5684 -0.4188 0.0377 0.1267 0.5451 0.6077 1.5536 1.6733 2.4111 2.4635 4.4994 4.5022 5.7475 5.7779 10.3106 10.3509 12.0187 12.0943 13.7846 13.8202 14.8921 14.9119 k = 0.5000-0.3026-0.8791 ( 1754 PWs) bands (ev): -13.4683 -13.4672 -8.5451 -8.5427 -1.7949 -1.7207 -1.4720 -1.3296 -1.0735 -0.8345 -0.7523 -0.6729 -0.5640 -0.4134 0.0349 0.1279 0.5497 0.6132 1.5364 1.6553 2.3918 2.4438 4.5060 4.5105 5.7804 5.8103 10.3606 10.4022 11.9855 12.0612 13.7489 13.7851 14.8992 14.9214 k = 0.8039-0.1944-0.6561 ( 1754 PWs) bands (ev): -13.4683 -13.4672 -8.5451 -8.5427 -1.7949 -1.7207 -1.4720 -1.3296 -1.0735 -0.8345 -0.7523 -0.6729 -0.5640 -0.4134 0.0349 0.1279 0.5497 0.6132 1.5364 1.6553 2.3918 2.4438 4.5060 4.5105 5.7804 5.8103 10.3606 10.4022 11.9855 12.0612 13.7489 13.7851 14.8992 14.9214 k = 0.7984-0.1876-0.6421 ( 1750 PWs) bands (ev): -13.4692 -13.4681 -8.5469 -8.5445 -1.8007 -1.7280 -1.4673 -1.3258 -1.0723 -0.8297 -0.7540 -0.6618 -0.5598 -0.4083 0.0328 0.1301 0.5557 0.6203 1.5144 1.6321 2.3785 2.4292 4.5143 4.5203 5.8126 5.8419 10.4102 10.4530 11.9555 12.0316 13.7131 13.7501 14.8984 14.9228 k = 0.7928-0.1808-0.6282 ( 1754 PWs) bands (ev): -13.4704 -13.4693 -8.5490 -8.5467 -1.8062 -1.7349 -1.4625 -1.3222 -1.0705 -0.8272 -0.7550 -0.6516 -0.5560 -0.4038 0.0310 0.1331 0.5631 0.6292 1.4880 1.6039 2.3702 2.4190 4.5244 4.5318 5.8442 5.8730 10.4598 10.5040 11.9287 12.0052 13.6768 13.7146 14.8885 14.9140 k = 0.7873-0.1741-0.6142 ( 1754 PWs) bands (ev): -13.4717 -13.4706 -8.5515 -8.5492 -1.8115 -1.7414 -1.4574 -1.3189 -1.0679 -0.8266 -0.7552 -0.6421 -0.5526 -0.3996 0.0296 0.1367 0.5723 0.6397 1.4580 1.5717 2.3662 2.4128 4.5362 4.5451 5.8753 5.9036 10.5095 10.5550 11.9052 11.9824 13.6401 13.6787 14.8676 14.8908 k = 0.7818-0.1673-0.6003 ( 1752 PWs) bands (ev): -13.4732 -13.4721 -8.5544 -8.5521 -1.8165 -1.7474 -1.4523 -1.3159 -1.0643 -0.8280 -0.7549 -0.6334 -0.5496 -0.3960 0.0285 0.1405 0.5832 0.6520 1.4251 1.5368 2.3657 2.4098 4.5498 4.5600 5.9058 5.9335 10.5593 10.6061 11.8854 11.9633 13.6032 13.6426 14.8326 14.8485 k = 0.7763-0.1605-0.5863 ( 1752 PWs) bands (ev): -13.4749 -13.4738 -8.5577 -8.5554 -1.8211 -1.7529 -1.4470 -1.3132 -1.0599 -0.8309 -0.7546 -0.6254 -0.5468 -0.3930 0.0274 0.1441 0.5958 0.6659 1.3903 1.5001 2.3676 2.4093 4.5652 4.5767 5.9355 5.9627 10.6090 10.6571 11.8693 11.9480 13.5659 13.6063 14.7798 14.7879 k = 0.7707-0.1538-0.5723 ( 1752 PWs) bands (ev): -13.4768 -13.4757 -8.5613 -8.5590 -1.8253 -1.7579 -1.4417 -1.3107 -1.0546 -0.8351 -0.7544 -0.6182 -0.5441 -0.3904 0.0262 0.1472 0.6101 0.6812 1.3546 1.4628 2.3713 2.4107 4.5823 4.5949 5.9643 5.9911 10.6586 10.7080 11.8572 11.9369 13.5284 13.5698 14.7041 14.7191 k = 0.7652-0.1470-0.5584 ( 1758 PWs) bands (ev): -13.4789 -13.4778 -8.5654 -8.5631 -1.8292 -1.7624 -1.4365 -1.3086 -1.0484 -0.8405 -0.7548 -0.6118 -0.5413 -0.3883 0.0248 0.1494 0.6261 0.6976 1.3190 1.4258 2.3758 2.4132 4.6010 4.6148 5.9923 6.0186 10.7079 10.7586 11.8492 11.9300 13.4907 13.5332 14.6154 14.6406 k = 0.7597-0.1402-0.5444 ( 1754 PWs) bands (ev): -13.4812 -13.4801 -8.5698 -8.5675 -1.8325 -1.7662 -1.4312 -1.3068 -1.0413 -0.8467 -0.7558 -0.6063 -0.5380 -0.3866 0.0230 0.1504 0.6435 0.7149 1.2843 1.3903 2.3808 2.4164 4.6215 4.6364 6.0194 6.0452 10.7568 10.8088 11.8456 11.9276 13.4528 13.4965 14.5198 14.5535 k = 0.7542-0.1334-0.5305 ( 1754 PWs) bands (ev): -13.4837 -13.4825 -8.5747 -8.5724 -1.8353 -1.7695 -1.4261 -1.3052 -1.0333 -0.8537 -0.7576 -0.6018 -0.5339 -0.3853 0.0209 0.1500 0.6619 0.7326 1.2515 1.3570 2.3857 2.4198 4.6437 4.6596 6.0454 6.0708 10.8053 10.8583 11.8466 11.9297 13.4147 13.4598 14.4202 14.4604 k = 0.7486-0.1267-0.5165 ( 1752 PWs) bands (ev): -13.4863 -13.4852 -8.5799 -8.5776 -1.8377 -1.7721 -1.4211 -1.3040 -1.0245 -0.8615 -0.7603 -0.5982 -0.5289 -0.3844 0.0181 0.1480 0.6810 0.7503 1.2215 1.3267 2.3901 2.4229 4.6676 4.6845 6.0704 6.0954 10.8531 10.9072 11.8521 11.9364 13.3764 13.4231 14.3179 14.3634 k = 0.7431-0.1199-0.5026 ( 1750 PWs) bands (ev): -13.4892 -13.4880 -8.5855 -8.5831 -1.8395 -1.7741 -1.4164 -1.3030 -1.0149 -0.8701 -0.7639 -0.5954 -0.5230 -0.3838 0.0148 0.1443 0.7004 0.7677 1.1950 1.3003 2.3937 2.4254 4.6931 4.7109 6.0944 6.1189 10.9001 10.9551 11.8623 11.9478 13.3378 13.3863 14.2142 14.2641 k = 0.7376-0.1131-0.4886 ( 1746 PWs) bands (ev): -13.4922 -13.4911 -8.5914 -8.5891 -1.8407 -1.7754 -1.4119 -1.3023 -1.0048 -0.8793 -0.7685 -0.5934 -0.5161 -0.3835 0.0109 0.1388 0.7195 0.7841 1.1730 1.2785 2.3961 2.4270 4.7204 4.7389 6.1173 6.1414 10.9461 11.0017 11.8773 11.9638 13.2989 13.3494 14.1099 14.1639 k = 0.7321-0.1064-0.4746 ( 1748 PWs) bands (ev): -13.4955 -13.4943 -8.5977 -8.5954 -1.8414 -1.7761 -1.4080 -1.3020 -0.9942 -0.8892 -0.7741 -0.5919 -0.5085 -0.3836 0.0064 0.1316 0.7377 0.7992 1.1561 1.2618 2.3972 2.4275 4.7492 4.7685 6.1392 6.1629 10.9909 11.0469 11.8971 11.9843 13.2594 13.3122 14.0058 14.0637 k = 0.7265-0.0996-0.4607 ( 1754 PWs) bands (ev): -13.4989 -13.4977 -8.6044 -8.6020 -1.8415 -1.7761 -1.4046 -1.3020 -0.9834 -0.8997 -0.7806 -0.5907 -0.5004 -0.3841 0.0013 0.1227 0.7545 0.8126 1.1449 1.2506 2.3968 2.4265 4.7796 4.7996 6.1600 6.1832 11.0343 11.0905 11.9215 12.0093 13.2192 13.2745 13.9029 13.9647 k = 0.7210-0.0928-0.4467 ( 1754 PWs) bands (ev): -13.5024 -13.5012 -8.6114 -8.6090 -1.8409 -1.7753 -1.4018 -1.3022 -0.9727 -0.9104 -0.7878 -0.5896 -0.4919 -0.3850 -0.0041 0.1125 0.7695 0.8243 1.1397 1.2452 2.3947 2.4242 4.8117 4.8323 6.1797 6.2026 11.0762 11.1321 11.9505 12.0386 13.1779 13.2361 13.8020 13.8679 k = 0.7155-0.0860-0.4328 ( 1754 PWs) bands (ev): -13.5061 -13.5049 -8.6187 -8.6163 -1.8396 -1.7737 -1.3996 -1.3026 -0.9632 -0.9205 -0.7958 -0.5883 -0.4834 -0.3861 -0.0098 0.1011 0.7827 0.8343 1.1405 1.2454 2.3909 2.4201 4.8453 4.8666 6.1985 6.2209 11.1163 11.1716 11.9839 12.0718 13.1350 13.1963 13.7045 13.7746 k = 0.7100-0.0793-0.4188 ( 1750 PWs) bands (ev): -13.5100 -13.5088 -8.6263 -8.6239 -1.8377 -1.7714 -1.3982 -1.3032 -0.9583 -0.9269 -0.8041 -0.5868 -0.4752 -0.3876 -0.0156 0.0889 0.7943 0.8432 1.1471 1.2507 2.3854 2.4145 4.8806 4.9023 6.2163 6.2384 11.1543 11.2087 12.0213 12.1085 13.0901 13.1544 13.6119 13.6861 k = 0.7044-0.0725-0.4049 ( 1742 PWs) bands (ev): -13.5140 -13.5127 -8.6342 -8.6317 -1.8351 -1.7682 -1.3976 -1.3042 -0.9629 -0.9251 -0.8124 -0.5850 -0.4675 -0.3893 -0.0213 0.0765 0.8045 0.8513 1.1587 1.2607 2.3781 2.4070 4.9174 4.9396 6.2332 6.2548 11.1900 11.2430 12.0623 12.1483 13.0423 13.1091 13.5262 13.6040 k = 0.6989-0.0657-0.3909 ( 1742 PWs) bands (ev): -13.5181 -13.5169 -8.6423 -8.6398 -1.8319 -1.7644 -1.3979 -1.3054 -0.9745 -0.9186 -0.8201 -0.5830 -0.4610 -0.3912 -0.0266 0.0643 0.8140 0.8593 1.1744 1.2743 2.3688 2.3977 4.9557 4.9783 6.2491 6.2702 11.2230 11.2744 12.1061 12.1904 12.9910 13.0594 13.4497 13.5300 k = 0.6934-0.0589-0.3769 ( 1742 PWs) bands (ev): -13.5224 -13.5211 -8.6507 -8.6482 -1.8280 -1.7598 -1.3992 -1.3070 -0.9888 -0.9128 -0.8257 -0.5806 -0.4561 -0.3929 -0.0315 0.0528 0.8233 0.8676 1.1935 1.2910 2.3577 2.3866 4.9954 5.0184 6.2640 6.2848 11.2529 11.3023 12.1522 12.2337 12.9359 13.0043 13.3846 13.4655 k = 0.6879-0.0522-0.3630 ( 1742 PWs) bands (ev): -13.5267 -13.5254 -8.6593 -8.6568 -1.8235 -1.7545 -1.4014 -1.3089 -1.0045 -0.9107 -0.8276 -0.5779 -0.4532 -0.3943 -0.0357 0.0427 0.8330 0.8766 1.2150 1.3100 2.3447 2.3737 5.0365 5.0598 6.2781 6.2984 11.2792 11.3263 12.1991 12.2768 12.8777 12.9446 13.3320 13.4116 k = 0.6823-0.0454-0.3490 ( 1740 PWs) bands (ev): -13.5312 -13.5299 -8.6680 -8.6655 -1.8184 -1.7483 -1.4047 -1.3112 -1.0212 -0.9138 -0.8246 -0.5749 -0.4527 -0.3951 -0.0389 0.0343 0.8434 0.8868 1.2384 1.3307 2.3300 2.3590 5.0791 5.1026 6.2915 6.3113 11.3014 11.3461 12.2450 12.3170 12.8183 12.8832 13.2921 13.3688 k = 0.6768-0.0386-0.3351 ( 1740 PWs) bands (ev): -13.5357 -13.5344 -8.6769 -8.6744 -1.8127 -1.7414 -1.4089 -1.3140 -1.0386 -0.9217 -0.8173 -0.5715 -0.4543 -0.3956 -0.0411 0.0279 0.8548 0.8982 1.2630 1.3525 2.3136 2.3426 5.1230 5.1467 6.3040 6.3234 11.3189 11.3610 12.2865 12.3503 12.7617 12.8255 13.2639 13.3369 k = 0.6713-0.0319-0.3211 ( 1738 PWs) bands (ev): -13.5403 -13.5390 -8.6860 -8.6835 -1.8065 -1.7338 -1.4140 -1.3174 -1.0567 -0.9330 -0.8069 -0.5677 -0.4579 -0.3961 -0.0420 0.0238 0.8675 0.9110 1.2883 1.3751 2.2955 2.3246 5.1682 5.1921 6.3158 6.3347 11.3310 11.3704 12.3178 12.3694 12.7150 12.7801 13.2465 13.3153 k = 0.6658-0.0251-0.3072 ( 1738 PWs) bands (ev): -13.5449 -13.5436 -8.6952 -8.6926 -1.7999 -1.7256 -1.4201 -1.3214 -1.0751 -0.9465 -0.7947 -0.5637 -0.4628 -0.3971 -0.0414 0.0219 0.8814 0.9252 1.3141 1.3980 2.2758 2.3050 5.2146 5.2386 6.3269 6.3453 11.3370 11.3737 12.3297 12.3660 12.6884 12.7569 13.2388 13.3034 k = 0.6602-0.0183-0.2932 ( 1740 PWs) bands (ev): -13.5496 -13.5483 -8.7044 -8.7019 -1.7928 -1.7168 -1.4271 -1.3262 -1.0938 -0.9614 -0.7817 -0.5595 -0.4686 -0.3989 -0.0390 0.0220 0.8967 0.9407 1.3398 1.4210 2.2547 2.2839 5.2621 5.2862 6.3373 6.3552 11.3363 11.3704 12.3150 12.3371 12.6897 12.7605 13.2402 13.3005 k = 0.6547-0.0115-0.2793 ( 1740 PWs) bands (ev): -13.5543 -13.5530 -8.7137 -8.7112 -1.7853 -1.7074 -1.4349 -1.3319 -1.1123 -0.9770 -0.7681 -0.5550 -0.4750 -0.4015 -0.0350 0.0240 0.9133 0.9575 1.3655 1.4439 2.2322 2.2615 5.3107 5.3349 6.3471 6.3645 11.3283 11.3598 12.2763 12.2892 12.7163 12.7861 13.2503 13.3061 k = 0.6492-0.0048-0.2653 ( 1740 PWs) bands (ev): -13.5590 -13.5577 -8.7230 -8.7205 -1.7776 -1.6974 -1.4434 -1.3386 -1.1305 -0.9930 -0.7542 -0.5504 -0.4814 -0.4049 -0.0292 0.0276 0.9311 0.9754 1.3909 1.4665 2.2085 2.2378 5.3603 5.3845 6.3562 6.3731 11.3124 11.3415 12.2233 12.2314 12.7596 12.8251 13.2686 13.3196 k = 0.6437 0.0020-0.2513 ( 1740 PWs) bands (ev): -13.5637 -13.5624 -8.7323 -8.7298 -1.7697 -1.6871 -1.4527 -1.3464 -1.1481 -1.0092 -0.7403 -0.5455 -0.4879 -0.4090 -0.0218 0.0326 0.9500 0.9944 1.4157 1.4887 2.1837 2.2130 5.4108 5.4349 6.3647 6.3811 11.2885 11.3154 12.1641 12.1697 12.8122 12.8718 13.2946 13.3402 k = 0.6381 0.0088-0.2374 ( 1736 PWs) bands (ev): -13.5684 -13.5671 -8.7415 -8.7390 -1.7617 -1.6764 -1.4624 -1.3554 -1.1647 -1.0252 -0.7265 -0.5405 -0.4941 -0.4134 -0.0131 0.0387 0.9700 1.0143 1.4400 1.5103 2.1580 2.1874 5.4622 5.4861 6.3727 6.3886 11.2566 11.2815 12.1034 12.1079 12.8702 12.9228 13.3275 13.3675 k = 0.6326 0.0156-0.2234 ( 1734 PWs) bands (ev): -13.5730 -13.5718 -8.7507 -8.7482 -1.7539 -1.6656 -1.4727 -1.3657 -1.1800 -1.0409 -0.7129 -0.5354 -0.5001 -0.4182 -0.0032 0.0457 0.9908 1.0349 1.4636 1.5312 2.1316 2.1610 5.5142 5.5380 6.3802 6.3955 11.2169 11.2400 12.0436 12.0475 12.9313 12.9766 13.3664 13.4005 k = 0.6271 0.0223-0.2095 ( 1728 PWs) bands (ev): -13.5776 -13.5763 -8.7597 -8.7574 -1.7462 -1.6546 -1.4832 -1.3771 -1.1937 -1.0560 -0.6995 -0.5302 -0.5056 -0.4230 0.0075 0.0536 1.0125 1.0561 1.4866 1.5514 2.1047 2.1341 5.5668 5.5904 6.3872 6.4020 11.1700 11.1916 11.9860 11.9896 12.9946 13.0324 13.4101 13.4385 k = 0.6216 0.0291-0.1955 ( 1728 PWs) bands (ev): -13.5821 -13.5809 -8.7687 -8.7663 -1.7391 -1.6440 -1.4939 -1.3896 -1.2059 -1.0707 -0.6865 -0.5250 -0.5106 -0.4279 0.0189 0.0619 1.0347 1.0776 1.5086 1.5707 2.0774 2.1067 5.6197 5.6431 6.3937 6.4079 11.1169 11.1372 11.9309 11.9343 13.0592 13.0898 13.4575 13.4806 k = 0.6160 0.0359-0.1816 ( 1730 PWs) bands (ev): -13.5866 -13.5853 -8.7774 -8.7752 -1.7326 -1.6338 -1.5045 -1.4028 -1.2163 -1.0845 -0.6738 -0.5198 -0.5153 -0.4325 0.0306 0.0706 1.0572 1.0993 1.5297 1.5892 2.0499 2.0791 5.6729 5.6960 6.3997 6.4133 11.0585 11.0777 11.8785 11.8818 13.1248 13.1488 13.5074 13.5258 k = 0.6105 0.0426-0.1676 ( 1730 PWs) bands (ev): -13.5909 -13.5897 -8.7860 -8.7838 -1.7269 -1.6246 -1.5145 -1.4164 -1.2251 -1.0976 -0.6616 -0.5195 -0.5146 -0.4368 0.0426 0.0795 1.0800 1.1210 1.5500 1.6068 2.0224 2.0516 5.7262 5.7491 6.4052 6.4183 10.9959 11.0142 11.8286 11.8317 13.1912 13.2092 13.5587 13.5732 k = 0.6050 0.0494-0.1536 ( 1732 PWs) bands (ev): -13.5952 -13.5940 -8.7944 -8.7922 -1.7222 -1.6170 -1.5233 -1.4298 -1.2322 -1.1096 -0.6499 -0.5232 -0.5095 -0.4408 0.0546 0.0887 1.1028 1.1424 1.5693 1.6235 1.9952 2.0242 5.7795 5.8019 6.4104 6.4228 10.9303 10.9478 11.7809 11.7838 13.2582 13.2710 13.6104 13.6222 k = 0.5995 0.0562-0.1397 ( 1730 PWs) bands (ev): -13.5993 -13.5981 -8.8025 -8.8004 -1.7188 -1.6121 -1.5301 -1.4425 -1.2377 -1.1207 -0.6386 -0.5263 -0.5044 -0.4443 0.0666 0.0978 1.1253 1.1634 1.5877 1.6392 1.9685 1.9974 5.8325 5.8545 6.4151 6.4270 10.8627 10.8795 11.7354 11.7380 13.3254 13.3339 13.6617 13.6719 k = 0.5939 0.0630-0.1257 ( 1730 PWs) bands (ev): -13.6032 -13.6022 -8.8103 -8.8083 -1.7167 -1.6110 -1.5338 -1.4540 -1.2419 -1.1307 -0.6279 -0.5291 -0.4994 -0.4474 0.0784 0.1069 1.1474 1.1838 1.6051 1.6539 1.9426 1.9713 5.8851 5.9066 6.4195 6.4308 10.7941 10.8103 11.6917 11.6940 13.3925 13.3978 13.7118 13.7214 k = 0.5884 0.0697-0.1118 ( 1724 PWs) bands (ev): -13.6070 -13.6060 -8.8178 -8.8159 -1.7161 -1.6144 -1.5337 -1.4640 -1.2446 -1.1396 -0.6177 -0.5314 -0.4945 -0.4501 0.0899 0.1160 1.1688 1.2033 1.6216 1.6677 1.9178 1.9461 5.9371 5.9580 6.4235 6.4342 10.7252 10.7408 11.6497 11.6518 13.4590 13.4629 13.7605 13.7702 k = 0.5829 0.0765-0.0978 ( 1720 PWs) bands (ev): -13.6107 -13.6097 -8.8250 -8.8232 -1.7170 -1.6216 -1.5307 -1.4722 -1.2461 -1.1475 -0.6081 -0.5333 -0.4898 -0.4523 0.1010 0.1248 1.1892 1.2217 1.6370 1.6805 1.8942 1.9222 5.9881 6.0084 6.4272 6.4373 10.6570 10.6720 11.6095 11.6113 13.5243 13.5289 13.8072 13.8174 k = 0.5774 0.0833-0.0839 ( 1718 PWs) bands (ev): -13.6141 -13.6132 -8.8319 -8.8302 -1.7193 -1.6317 -1.5258 -1.4785 -1.2464 -1.1544 -0.5992 -0.5349 -0.4853 -0.4541 0.1116 0.1332 1.2085 1.2387 1.6515 1.6922 1.8722 1.8997 6.0379 6.0576 6.4306 6.4400 10.5900 10.6044 11.5710 11.5725 13.5886 13.5948 13.8519 13.8624 k = 0.5718 0.0900-0.0699 ( 1716 PWs) bands (ev): -13.6174 -13.6165 -8.8384 -8.8368 -1.7228 -1.6433 -1.5203 -1.4832 -1.2457 -1.1602 -0.5908 -0.5361 -0.4810 -0.4554 0.1217 0.1412 1.2264 1.2542 1.6649 1.7028 1.8520 1.8788 6.0864 6.1052 6.4337 6.4425 10.5248 10.5387 11.5343 11.5356 13.6521 13.6597 13.8941 13.9048 k = 0.5663 0.0968-0.0559 ( 1714 PWs) bands (ev): -13.6205 -13.6197 -8.8445 -8.8430 -1.7272 -1.6558 -1.5146 -1.4863 -1.2440 -1.1652 -0.5832 -0.5371 -0.4769 -0.4564 0.1312 0.1489 1.2427 1.2681 1.6773 1.7123 1.8338 1.8598 6.1331 6.1511 6.4365 6.4447 10.4621 10.4753 11.4994 11.5005 13.7144 13.7230 13.9337 13.9445 k = 0.5608 0.1036-0.0420 ( 1718 PWs) bands (ev): -13.6234 -13.6227 -8.8502 -8.8487 -1.7323 -1.6686 -1.5093 -1.4883 -1.2414 -1.1693 -0.5763 -0.5379 -0.4731 -0.4571 0.1401 0.1560 1.2571 1.2800 1.6887 1.7205 1.8179 1.8427 6.1777 6.1948 6.4390 6.4466 10.4024 10.4148 11.4666 11.4674 13.7750 13.7843 13.9705 13.9811 k = 0.5553 0.1104-0.0280 ( 1718 PWs) bands (ev): -13.6261 -13.6254 -8.8554 -8.8541 -1.7377 -1.6813 -1.5045 -1.4893 -1.2380 -1.1727 -0.5702 -0.5385 -0.4696 -0.4574 0.1484 0.1626 1.2697 1.2901 1.6990 1.7276 1.8047 1.8278 6.2200 6.2361 6.4413 6.4483 10.3460 10.3577 11.4359 11.4365 13.8333 13.8430 14.0044 14.0146 k = 0.5497 0.1171-0.0141 ( 1708 PWs) bands (ev): -13.6285 -13.6278 -8.8602 -8.8590 -1.7430 -1.6935 -1.5002 -1.4896 -1.2339 -1.1754 -0.5645 -0.5388 -0.4662 -0.4572 0.1563 0.1689 1.2805 1.2984 1.7084 1.7333 1.7942 1.8151 6.2597 6.2746 6.4435 6.4499 10.2936 10.3044 11.4075 11.4080 13.8888 13.8986 14.0353 14.0449 k = 0.5442 0.1239-0.0001 ( 1702 PWs) bands (ev): -13.6307 -13.6301 -8.8645 -8.8634 -1.7481 -1.7051 -1.4966 -1.4894 -1.2294 -1.1776 -0.5597 -0.5390 -0.4632 -0.4569 0.1632 0.1743 1.2893 1.3048 1.7166 1.7374 1.7866 1.8047 6.2964 6.3101 6.4455 6.4513 10.2455 10.2554 11.3816 11.3820 13.9410 13.9505 14.0632 14.0719 k = 0.5387 0.1307 0.0138 ( 1702 PWs) bands (ev): -13.6326 -13.6321 -8.8683 -8.8674 -1.7528 -1.7160 -1.4937 -1.4890 -1.2246 -1.1795 -0.5555 -0.5392 -0.4607 -0.4564 0.1695 0.1791 1.2963 1.3094 1.7237 1.7400 1.7817 1.7963 6.3296 6.3420 6.4474 6.4526 10.2020 10.2109 11.3583 11.3585 13.9891 13.9980 14.0878 14.0957 k = 0.5332 0.1375 0.0278 ( 1692 PWs) bands (ev): -13.6343 -13.6338 -8.8717 -8.8709 -1.7569 -1.7258 -1.4912 -1.4884 -1.2195 -1.1811 -0.5519 -0.5392 -0.4583 -0.4556 0.1751 0.1832 1.3017 1.3127 1.7297 1.7413 1.7793 1.7900 6.3592 6.3702 6.4494 6.4539 10.1636 10.1714 11.3378 11.3379 14.0326 14.0406 14.1095 14.1163 k = 0.5276 0.1442 0.0417 ( 1692 PWs) bands (ev): -13.6357 -13.6353 -8.8745 -8.8738 -1.7602 -1.7347 -1.4894 -1.4878 -1.2146 -1.1827 -0.5489 -0.5393 -0.4564 -0.4548 0.1798 0.1866 1.3058 1.3146 1.7344 1.7418 1.7784 1.7854 6.3845 6.3939 6.4516 6.4553 10.1306 10.1372 11.3201 11.3202 14.0707 14.0773 14.1282 14.1337 k = 0.5221 0.1510 0.0557 ( 1694 PWs) bands (ev): -13.6369 -13.6366 -8.8768 -8.8763 -1.7627 -1.7426 -1.4881 -1.4873 -1.2098 -1.1844 -0.5466 -0.5395 -0.4550 -0.4542 0.1840 0.1894 1.3087 1.3156 1.7378 1.7419 1.7784 1.7824 6.4051 6.4128 6.4542 6.4571 10.1033 10.1087 11.3055 11.3056 14.1026 14.1076 14.1440 14.1481 k = 0.5166 0.1578 0.0697 ( 1698 PWs) bands (ev): -13.6378 -13.6376 -8.8786 -8.8782 -1.7642 -1.7493 -1.4872 -1.4868 -1.2053 -1.1863 -0.5447 -0.5397 -0.4538 -0.4535 0.1873 0.1913 1.3109 1.3159 1.7401 1.7419 1.7786 1.7805 6.4206 6.4261 6.4575 6.4594 10.0819 10.0860 11.2940 11.2941 14.1277 14.1307 14.1571 14.1598 k = 0.5111 0.1645 0.0836 ( 1692 PWs) bands (ev): -13.6384 -13.6383 -8.8799 -8.8796 -1.7646 -1.7547 -1.4865 -1.4864 -1.2010 -1.1884 -0.5431 -0.5400 -0.4530 -0.4528 0.1900 0.1926 1.3124 1.3158 1.7416 1.7422 1.7790 1.7797 6.4307 6.4340 6.4616 6.4623 10.0667 10.0695 11.2858 11.2858 14.1452 14.1464 14.1675 14.1692 k = 0.5055 0.1713 0.0976 ( 1692 PWs) bands (ev): -13.6388 -13.6387 -8.8806 -8.8805 -1.7639 -1.7590 -1.4861 -1.4861 -1.1972 -1.1909 -0.5420 -0.5404 -0.4525 -0.4525 0.1917 0.1931 1.3136 1.3153 1.7423 1.7424 1.7792 1.7794 6.4362 6.4376 6.4650 6.4651 10.0578 10.0592 11.2808 11.2808 14.1549 14.1551 14.1747 14.1756 k = 0.5000 0.1781 0.1115 ( 1682 PWs) bands (ev): -13.6389 -13.6389 -8.8808 -8.8808 -1.7620 -1.7620 -1.4859 -1.4859 -1.1937 -1.1937 -0.5410 -0.5410 -0.4523 -0.4523 0.1928 0.1928 1.3146 1.3146 1.7426 1.7426 1.7794 1.7794 6.4384 6.4384 6.4665 6.4665 10.0553 10.0553 11.2792 11.2792 14.1579 14.1579 14.1777 14.1777 k = 0.5000 0.1781 0.1115 ( 1682 PWs) bands (ev): -13.6389 -13.6389 -8.8808 -8.8808 -1.7620 -1.7620 -1.4859 -1.4859 -1.1937 -1.1937 -0.5410 -0.5410 -0.4523 -0.4523 0.1928 0.1928 1.3146 1.3146 1.7426 1.7426 1.7794 1.7794 6.4384 6.4384 6.4665 6.4665 10.0553 10.0553 11.2792 11.2792 14.1579 14.1579 14.1777 14.1777 k = 0.4848 0.1727 0.1082 ( 1688 PWs) bands (ev): -13.6390 -13.6390 -8.8805 -8.8805 -1.7631 -1.7631 -1.4857 -1.4856 -1.1936 -1.1936 -0.5411 -0.5411 -0.4523 -0.4522 0.1921 0.1921 1.3170 1.3170 1.7414 1.7414 1.7782 1.7782 6.4396 6.4396 6.4676 6.4676 10.0513 10.0513 11.2839 11.2839 14.1570 14.1572 14.1766 14.1766 k = 0.4697 0.1673 0.1048 ( 1697 PWs) bands (ev): -13.6392 -13.6392 -8.8796 -8.8796 -1.7663 -1.7663 -1.4849 -1.4848 -1.1931 -1.1931 -0.5416 -0.5416 -0.4522 -0.4520 0.1897 0.1897 1.3241 1.3241 1.7381 1.7382 1.7747 1.7747 6.4435 6.4435 6.4711 6.4711 10.0396 10.0396 11.2980 11.2980 14.1545 14.1548 14.1732 14.1732 k = 0.4545 0.1619 0.1014 ( 1697 PWs) bands (ev): -13.6396 -13.6396 -8.8780 -8.8780 -1.7715 -1.7715 -1.4835 -1.4834 -1.1919 -1.1919 -0.5422 -0.5422 -0.4518 -0.4516 0.1861 0.1861 1.3359 1.3359 1.7327 1.7328 1.7689 1.7689 6.4500 6.4500 6.4770 6.4771 10.0206 10.0206 11.3209 11.3209 14.1504 14.1509 14.1677 14.1677 k = 0.4394 0.1565 0.0980 ( 1709 PWs) bands (ev): -13.6401 -13.6401 -8.8758 -8.8758 -1.7789 -1.7789 -1.4817 -1.4816 -1.1905 -1.1905 -0.5433 -0.5433 -0.4515 -0.4511 0.1813 0.1813 1.3521 1.3521 1.7251 1.7253 1.7609 1.7609 6.4588 6.4588 6.4851 6.4851 9.9951 9.9951 11.3519 11.3519 14.1447 14.1454 14.1601 14.1601 k = 0.4242 0.1511 0.0946 ( 1715 PWs) bands (ev): -13.6408 -13.6408 -8.8731 -8.8731 -1.7882 -1.7882 -1.4793 -1.4791 -1.1885 -1.1885 -0.5444 -0.5444 -0.4509 -0.4504 0.1753 0.1753 1.3724 1.3724 1.7156 1.7159 1.7507 1.7507 6.4702 6.4702 6.4954 6.4955 9.9641 9.9641 11.3900 11.3900 14.1376 14.1384 14.1506 14.1506 k = 0.4091 0.1457 0.0913 ( 1715 PWs) bands (ev): -13.6416 -13.6416 -8.8698 -8.8698 -1.7994 -1.7994 -1.4763 -1.4760 -1.1860 -1.1860 -0.5456 -0.5456 -0.4501 -0.4495 0.1687 0.1687 1.3965 1.3965 1.7043 1.7046 1.7386 1.7386 6.4839 6.4839 6.5079 6.5080 9.9284 9.9284 11.4346 11.4346 14.1291 14.1301 14.1392 14.1392 k = 0.3939 0.1403 0.0879 ( 1715 PWs) bands (ev): -13.6424 -13.6424 -8.8659 -8.8659 -1.8124 -1.8124 -1.4728 -1.4725 -1.1829 -1.1829 -0.5470 -0.5470 -0.4491 -0.4484 0.1614 0.1614 1.4238 1.4238 1.6911 1.6915 1.7246 1.7246 6.4998 6.4998 6.5223 6.5224 9.8890 9.8890 11.4846 11.4846 14.1194 14.1205 14.1261 14.1261 k = 0.3788 0.1349 0.0845 ( 1733 PWs) bands (ev): -13.6435 -13.6435 -8.8616 -8.8616 -1.8273 -1.8273 -1.4690 -1.4686 -1.1795 -1.1795 -0.5488 -0.5488 -0.4482 -0.4474 0.1536 0.1536 1.4540 1.4540 1.6760 1.6765 1.7086 1.7086 6.5176 6.5176 6.5386 6.5387 9.8465 9.8465 11.5394 11.5394 14.1084 14.1096 14.1113 14.1113 k = 0.3636 0.1295 0.0811 ( 1727 PWs) bands (ev): -13.6446 -13.6446 -8.8567 -8.8567 -1.8435 -1.8435 -1.4646 -1.4642 -1.1754 -1.1754 -0.5502 -0.5502 -0.4467 -0.4459 0.1457 0.1457 1.4867 1.4867 1.6597 1.6602 1.6913 1.6913 6.5372 6.5372 6.5565 6.5566 9.8019 9.8019 11.5983 11.5983 14.0954 14.0954 14.0966 14.0979 k = 0.3485 0.1241 0.0777 ( 1724 PWs) bands (ev): -13.6458 -13.6458 -8.8515 -8.8515 -1.8611 -1.8611 -1.4597 -1.4593 -1.1708 -1.1708 -0.5518 -0.5518 -0.4452 -0.4443 0.1376 0.1376 1.5213 1.5213 1.6420 1.6425 1.6728 1.6728 6.5585 6.5585 6.5759 6.5760 9.7557 9.7557 11.6607 11.6607 14.0783 14.0783 14.0838 14.0853 k = 0.3333 0.1187 0.0744 ( 1724 PWs) bands (ev): -13.6471 -13.6471 -8.8459 -8.8459 -1.8800 -1.8800 -1.4546 -1.4541 -1.1657 -1.1657 -0.5534 -0.5534 -0.4436 -0.4427 0.1295 0.1295 1.5571 1.5571 1.6230 1.6236 1.6535 1.6535 6.5812 6.5812 6.5966 6.5967 9.7084 9.7084 11.7262 11.7262 14.0602 14.0602 14.0704 14.0719 k = 0.3182 0.1133 0.0710 ( 1723 PWs) bands (ev): -13.6485 -13.6485 -8.8399 -8.8399 -1.8999 -1.8999 -1.4491 -1.4486 -1.1602 -1.1602 -0.5550 -0.5550 -0.4418 -0.4409 0.1216 0.1216 1.5910 1.5910 1.6030 1.6036 1.6362 1.6362 6.6051 6.6051 6.6184 6.6185 9.6605 9.6605 11.7943 11.7943 14.0413 14.0413 14.0563 14.0579 k = 0.3030 0.1079 0.0676 ( 1723 PWs) bands (ev): -13.6499 -13.6499 -8.8337 -8.8337 -1.9206 -1.9206 -1.4434 -1.4429 -1.1542 -1.1542 -0.5566 -0.5566 -0.4400 -0.4389 0.1139 0.1139 1.5822 1.5828 1.5996 1.5996 1.6443 1.6443 6.6300 6.6300 6.6410 6.6412 9.6124 9.6124 11.8648 11.8648 14.0219 14.0219 14.0418 14.0435 k = 0.2879 0.1025 0.0642 ( 1729 PWs) bands (ev): -13.6514 -13.6514 -8.8272 -8.8272 -1.9420 -1.9420 -1.4375 -1.4369 -1.1480 -1.1480 -0.5581 -0.5581 -0.4379 -0.4369 0.1065 0.1065 1.5606 1.5612 1.5808 1.5808 1.6795 1.6795 6.6556 6.6556 6.6643 6.6645 9.5645 9.5645 11.9371 11.9371 14.0021 14.0021 14.0269 14.0286 k = 0.2727 0.0971 0.0608 ( 1735 PWs) bands (ev): -13.6529 -13.6529 -8.8206 -8.8206 -1.9639 -1.9639 -1.4314 -1.4308 -1.1413 -1.1413 -0.5595 -0.5595 -0.4358 -0.4347 0.0992 0.0992 1.5386 1.5392 1.5583 1.5583 1.7182 1.7182 6.6817 6.6817 6.6881 6.6883 9.5171 9.5171 12.0111 12.0111 13.9821 13.9821 14.0120 14.0137 k = 0.2576 0.0917 0.0575 ( 1735 PWs) bands (ev): -13.6544 -13.6544 -8.8139 -8.8139 -1.9859 -1.9859 -1.4251 -1.4245 -1.1344 -1.1344 -0.5607 -0.5607 -0.4336 -0.4324 0.0925 0.0925 1.5163 1.5170 1.5349 1.5349 1.7575 1.7575 6.7081 6.7081 6.7122 6.7123 9.4705 9.4705 12.0865 12.0865 13.9621 13.9621 13.9970 13.9988 k = 0.2424 0.0863 0.0541 ( 1735 PWs) bands (ev): -13.6559 -13.6559 -8.8071 -8.8071 -2.0079 -2.0079 -1.4188 -1.4182 -1.1273 -1.1273 -0.5619 -0.5619 -0.4313 -0.4301 0.0862 0.0862 1.4940 1.4946 1.5112 1.5112 1.7965 1.7965 6.7346 6.7346 6.7363 6.7364 9.4250 9.4250 12.1630 12.1630 13.9424 13.9424 13.9822 13.9839 k = 0.2273 0.0810 0.0507 ( 1729 PWs) bands (ev): -13.6574 -13.6574 -8.8003 -8.8003 -2.0297 -2.0297 -1.4123 -1.4117 -1.1200 -1.1200 -0.5628 -0.5628 -0.4288 -0.4277 0.0805 0.0805 1.4718 1.4724 1.4876 1.4876 1.8350 1.8350 6.7602 6.7604 6.7609 6.7609 9.3809 9.3809 12.2402 12.2402 13.9230 13.9230 13.9677 13.9694 k = 0.2121 0.0756 0.0473 ( 1735 PWs) bands (ev): -13.6589 -13.6589 -8.7937 -8.7937 -2.0513 -2.0513 -1.4061 -1.4055 -1.1128 -1.1128 -0.5636 -0.5636 -0.4264 -0.4252 0.0750 0.0750 1.4498 1.4505 1.4641 1.4641 1.8725 1.8725 6.7836 6.7838 6.7867 6.7867 9.3383 9.3383 12.3178 12.3178 13.9041 13.9041 13.9534 13.9550 k = 0.1970 0.0702 0.0439 ( 1735 PWs) bands (ev): -13.6603 -13.6603 -8.7871 -8.7871 -2.0722 -2.0722 -1.3999 -1.3993 -1.1055 -1.1055 -0.5644 -0.5644 -0.4239 -0.4227 0.0700 0.0700 1.4284 1.4290 1.4412 1.4412 1.9087 1.9087 6.8065 6.8067 6.8118 6.8118 9.2976 9.2976 12.3955 12.3955 13.8859 13.8859 13.9396 13.9412 k = 0.1818 0.0648 0.0406 ( 1732 PWs) bands (ev): -13.6617 -13.6617 -8.7808 -8.7808 -2.0922 -2.0922 -1.3938 -1.3933 -1.0984 -1.0984 -0.5649 -0.5649 -0.4214 -0.4203 0.0655 0.0655 1.4076 1.4083 1.4189 1.4189 1.9434 1.9434 6.8286 6.8288 6.8362 6.8362 9.2589 9.2589 12.4727 12.4727 13.8685 13.8685 13.9264 13.9279 k = 0.1667 0.0594 0.0372 ( 1732 PWs) bands (ev): -13.6631 -13.6631 -8.7747 -8.7747 -2.1114 -2.1114 -1.3880 -1.3875 -1.0915 -1.0915 -0.5654 -0.5654 -0.4189 -0.4178 0.0614 0.0614 1.3877 1.3884 1.3976 1.3976 1.9763 1.9763 6.8497 6.8499 6.8594 6.8594 9.2224 9.2224 12.5491 12.5491 13.8522 13.8522 13.9139 13.9154 k = 0.1515 0.0540 0.0338 ( 1738 PWs) bands (ev): -13.6644 -13.6644 -8.7689 -8.7689 -2.1294 -2.1294 -1.3826 -1.3821 -1.0848 -1.0848 -0.5659 -0.5659 -0.4166 -0.4156 0.0577 0.0577 1.3689 1.3695 1.3774 1.3774 2.0072 2.0072 6.8696 6.8697 6.8812 6.8812 9.1884 9.1884 12.6239 12.6239 13.8369 13.8369 13.9022 13.9035 k = 0.1364 0.0486 0.0304 ( 1744 PWs) bands (ev): -13.6656 -13.6656 -8.7635 -8.7635 -2.1463 -2.1463 -1.3774 -1.3769 -1.0786 -1.0786 -0.5662 -0.5662 -0.4144 -0.4134 0.0543 0.0543 1.3513 1.3518 1.3585 1.3585 2.0358 2.0358 6.8881 6.8883 6.9016 6.9016 9.1570 9.1570 12.6964 12.6964 13.8229 13.8229 13.8913 13.8925 k = 0.1212 0.0432 0.0270 ( 1744 PWs) bands (ev): -13.6666 -13.6666 -8.7585 -8.7585 -2.1617 -2.1617 -1.3726 -1.3722 -1.0727 -1.0727 -0.5663 -0.5663 -0.4122 -0.4113 0.0514 0.0514 1.3350 1.3356 1.3411 1.3411 2.0620 2.0620 6.9052 6.9053 6.9204 6.9204 9.1285 9.1285 12.7660 12.7660 13.8103 13.8103 13.8813 13.8825 k = 0.1061 0.0378 0.0237 ( 1750 PWs) bands (ev): -13.6677 -13.6677 -8.7540 -8.7540 -2.1756 -2.1756 -1.3684 -1.3680 -1.0675 -1.0675 -0.5664 -0.5664 -0.4101 -0.4093 0.0489 0.0489 1.3203 1.3207 1.3252 1.3252 2.0856 2.0856 6.9205 6.9206 6.9373 6.9373 9.1029 9.1029 12.8316 12.8316 13.7992 13.7992 13.8724 13.8735 k = 0.0909 0.0324 0.0203 ( 1750 PWs) bands (ev): -13.6685 -13.6685 -8.7500 -8.7500 -2.1878 -2.1878 -1.3645 -1.3642 -1.0627 -1.0627 -0.5664 -0.5664 -0.4083 -0.4075 0.0467 0.0467 1.3072 1.3076 1.3111 1.3111 2.1064 2.1064 6.9342 6.9343 6.9524 6.9524 9.0804 9.0804 12.8922 12.8922 13.7895 13.7895 13.8646 13.8655 k = 0.0758 0.0270 0.0169 ( 1756 PWs) bands (ev): -13.6693 -13.6693 -8.7465 -8.7465 -2.1984 -2.1984 -1.3613 -1.3609 -1.0587 -1.0587 -0.5664 -0.5664 -0.4067 -0.4061 0.0449 0.0449 1.2960 1.2963 1.2990 1.2990 2.1243 2.1243 6.9459 6.9460 6.9653 6.9653 9.0611 9.0611 12.9466 12.9466 13.7815 13.7815 13.8579 13.8586 k = 0.0606 0.0216 0.0135 ( 1756 PWs) bands (ev): -13.6699 -13.6699 -8.7437 -8.7437 -2.2071 -2.2071 -1.3584 -1.3582 -1.0552 -1.0552 -0.5664 -0.5664 -0.4053 -0.4048 0.0434 0.0434 1.2866 1.2869 1.2889 1.2889 2.1391 2.1391 6.9556 6.9557 6.9760 6.9760 9.0452 9.0452 12.9935 12.9935 13.7751 13.7751 13.8523 13.8529 k = 0.0455 0.0162 0.0101 ( 1762 PWs) bands (ev): -13.6704 -13.6704 -8.7414 -8.7414 -2.2141 -2.2141 -1.3562 -1.3560 -1.0525 -1.0525 -0.5664 -0.5664 -0.4042 -0.4038 0.0422 0.0422 1.2793 1.2795 1.2810 1.2810 2.1506 2.1506 6.9633 6.9633 6.9844 6.9844 9.0327 9.0327 13.0317 13.0317 13.7702 13.7702 13.8480 13.8485 k = 0.0303 0.0108 0.0068 ( 1756 PWs) bands (ev): -13.6708 -13.6708 -8.7397 -8.7397 -2.2190 -2.2190 -1.3546 -1.3545 -1.0505 -1.0505 -0.5662 -0.5662 -0.4032 -0.4030 0.0415 0.0415 1.2740 1.2741 1.2753 1.2753 2.1591 2.1591 6.9688 6.9689 6.9905 6.9905 9.0237 9.0237 13.0599 13.0599 13.7669 13.7669 13.8449 13.8452 k = 0.0152 0.0054 0.0034 ( 1753 PWs) bands (ev): -13.6710 -13.6710 -8.7388 -8.7388 -2.2220 -2.2220 -1.3536 -1.3535 -1.0492 -1.0492 -0.5662 -0.5662 -0.4026 -0.4025 0.0411 0.0411 1.2708 1.2709 1.2718 1.2718 2.1641 2.1641 6.9722 6.9722 6.9942 6.9942 9.0183 9.0183 13.0773 13.0773 13.7650 13.7650 13.8431 13.8433 k = 0.0000 0.0000 0.0000 ( 1753 PWs) bands (ev): -13.6710 -13.6710 -8.7384 -8.7384 -2.2230 -2.2230 -1.3533 -1.3533 -1.0488 -1.0488 -0.5661 -0.5661 -0.4024 -0.4024 0.0409 0.0409 1.2698 1.2698 1.2706 1.2706 2.1658 2.1658 6.9733 6.9733 6.9955 6.9955 9.0165 9.0165 13.0832 13.0832 13.7643 13.7643 13.8425 13.8425 k = 0.0000 0.0000 0.0000 ( 1753 PWs) bands (ev): -13.6710 -13.6710 -8.7384 -8.7384 -2.2230 -2.2230 -1.3533 -1.3533 -1.0488 -1.0488 -0.5661 -0.5661 -0.4024 -0.4024 0.0409 0.0409 1.2698 1.2698 1.2706 1.2706 2.1658 2.1658 6.9733 6.9733 6.9955 6.9955 9.0165 9.0165 13.0832 13.0832 13.7643 13.7643 13.8425 13.8425 k = 0.0056-0.0069-0.0142 ( 1749 PWs) bands (ev): -13.6709 -13.6708 -8.7383 -8.7382 -2.2231 -2.2211 -1.3532 -1.3532 -1.0509 -1.0472 -0.5666 -0.5659 -0.4027 -0.4027 0.0402 0.0403 1.2661 1.2686 1.2716 1.2734 2.1664 2.1681 6.9712 6.9713 6.9931 6.9941 9.0184 9.0186 13.0862 13.0867 13.7588 13.7618 13.8385 13.8386 k = 0.0112-0.0138-0.0284 ( 1747 PWs) bands (ev): -13.6704 -13.6703 -8.7380 -8.7377 -2.2214 -2.2176 -1.3532 -1.3532 -1.0536 -1.0459 -0.5675 -0.5660 -0.4036 -0.4035 0.0379 0.0383 1.2605 1.2673 1.2730 1.2752 2.1698 2.1733 6.9638 6.9649 6.9877 6.9894 9.0244 9.0246 13.0958 13.0967 13.7433 13.7499 13.8286 13.8297 k = 0.0168-0.0206-0.0425 ( 1747 PWs) bands (ev): -13.6696 -13.6694 -8.7373 -8.7369 -2.2181 -2.2123 -1.3533 -1.3531 -1.0567 -1.0452 -0.5688 -0.5664 -0.4053 -0.4049 0.0342 0.0348 1.2535 1.2659 1.2738 1.2764 2.1761 2.1812 6.9498 6.9528 6.9804 6.9826 9.0342 9.0346 13.1118 13.1130 13.7143 13.7248 13.8183 13.8208 k = 0.0225-0.0275-0.0567 ( 1749 PWs) bands (ev): -13.6685 -13.6682 -8.7363 -8.7357 -2.2130 -2.2053 -1.3535 -1.3532 -1.0602 -1.0448 -0.5707 -0.5670 -0.4076 -0.4066 0.0290 0.0300 1.2451 1.2643 1.2732 1.2780 2.1853 2.1918 6.9288 6.9341 6.9718 6.9751 9.0477 9.0482 13.1342 13.1352 13.6716 13.6856 13.8111 13.8145 k = 0.0281-0.0344-0.0709 ( 1749 PWs) bands (ev): -13.6670 -13.6667 -8.7350 -8.7343 -2.2064 -2.1966 -1.3538 -1.3532 -1.0643 -1.0448 -0.5731 -0.5677 -0.4106 -0.4087 0.0225 0.0239 1.2358 1.2620 1.2717 1.2799 2.1972 2.2049 6.9016 6.9090 6.9620 6.9665 9.0648 9.0654 13.1627 13.1629 13.6185 13.6357 13.8065 13.8105 k = 0.0337-0.0413-0.0851 ( 1747 PWs) bands (ev): -13.6653 -13.6648 -8.7335 -8.7326 -2.1980 -2.1862 -1.3541 -1.3532 -1.0687 -1.0451 -0.5761 -0.5684 -0.4143 -0.4109 0.0145 0.0165 1.2255 1.2586 1.2701 1.2820 2.2117 2.2204 6.8687 6.8780 6.9507 6.9564 9.0852 9.0859 13.1950 13.1969 13.5582 13.5795 13.8034 13.8077 k = 0.0393-0.0482-0.0993 ( 1749 PWs) bands (ev): -13.6632 -13.6627 -8.7316 -8.7307 -2.1881 -2.1743 -1.3547 -1.3532 -1.0736 -1.0457 -0.5799 -0.5694 -0.4189 -0.4134 0.0054 0.0080 1.2144 1.2538 1.2688 1.2841 2.2288 2.2383 6.8304 6.8415 6.9378 6.9446 9.1086 9.1094 13.2293 13.2361 13.4935 13.5215 13.8011 13.8057 k = 0.0449-0.0550-0.1134 ( 1749 PWs) bands (ev): -13.6608 -13.6602 -8.7295 -8.7284 -2.1766 -2.1607 -1.3556 -1.3533 -1.0788 -1.0465 -0.5845 -0.5703 -0.4242 -0.4160 -0.0050 -0.0015 1.2026 1.2477 1.2679 1.2862 2.2482 2.2582 6.7873 6.8000 6.9232 6.9311 9.1348 9.1356 13.2598 13.2783 13.4282 13.4694 13.7993 13.8042 k = 0.0505-0.0619-0.1276 ( 1741 PWs) bands (ev): -13.6581 -13.6574 -8.7270 -8.7258 -2.1637 -2.1455 -1.3565 -1.3532 -1.0844 -1.0473 -0.5898 -0.5711 -0.4303 -0.4184 -0.0164 -0.0120 1.1903 1.2405 1.2673 1.2883 2.2699 2.2803 6.7400 6.7542 6.9069 6.9159 9.1634 9.1642 13.2697 13.3085 13.3784 13.4414 13.7980 13.8032 k = 0.0561-0.0688-0.1418 ( 1743 PWs) bands (ev): -13.6551 -13.6544 -8.7244 -8.7231 -2.1493 -2.1289 -1.3578 -1.3533 -1.0903 -1.0484 -0.5962 -0.5720 -0.4372 -0.4207 -0.0289 -0.0234 1.1777 1.2323 1.2667 1.2903 2.2936 2.3041 6.6885 6.7040 6.8886 6.8987 9.1939 9.1948 13.2407 13.2692 13.4019 13.4561 13.7975 13.8028 k = 0.0618-0.0757-0.1560 ( 1739 PWs) bands (ev): -13.6518 -13.6511 -8.7214 -8.7200 -2.1336 -2.1109 -1.3594 -1.3533 -1.0965 -1.0495 -0.6035 -0.5727 -0.4450 -0.4228 -0.0421 -0.0355 1.1648 1.2236 1.2661 1.2922 2.3192 2.3298 6.6334 6.6503 6.8685 6.8797 9.2262 9.2271 13.1875 13.2043 13.4550 13.4991 13.7983 13.8036 k = 0.0674-0.0826-0.1702 ( 1735 PWs) bands (ev): -13.6483 -13.6475 -8.7182 -8.7167 -2.1166 -2.0915 -1.3614 -1.3533 -1.1029 -1.0506 -0.6118 -0.5732 -0.4535 -0.4244 -0.0561 -0.0482 1.1517 1.2144 1.2656 1.2938 2.3466 2.3571 6.5750 6.5930 6.8466 6.8588 9.2598 9.2607 13.1267 13.1377 13.5130 13.5531 13.8015 13.8066 k = 0.0730-0.0894-0.1843 ( 1733 PWs) bands (ev): -13.6445 -13.6436 -8.7148 -8.7131 -2.0984 -2.0709 -1.3637 -1.3533 -1.1096 -1.0517 -0.6212 -0.5736 -0.4630 -0.4256 -0.0706 -0.0614 1.1386 1.2048 1.2649 1.2953 2.3755 2.3859 6.5137 6.5328 6.8226 6.8359 9.2942 9.2952 13.0647 13.0727 13.5707 13.6093 13.8096 13.8145 k = 0.0786-0.0963-0.1985 ( 1735 PWs) bands (ev): -13.6405 -13.6396 -8.7111 -8.7094 -2.0792 -2.0491 -1.3665 -1.3534 -1.1165 -1.0528 -0.6316 -0.5737 -0.4733 -0.4263 -0.0856 -0.0751 1.1254 1.1948 1.2640 1.2965 2.4059 2.4161 6.4497 6.4699 6.7968 6.8111 9.3292 9.3302 13.0041 13.0104 13.6221 13.6597 13.8274 13.8332 k = 0.0842-0.1032-0.2127 ( 1737 PWs) bands (ev): -13.6362 -13.6353 -8.7072 -8.7054 -2.0591 -2.0262 -1.3696 -1.3533 -1.1237 -1.0539 -0.6430 -0.5736 -0.4845 -0.4265 -0.1006 -0.0889 1.1122 1.1847 1.2630 1.2974 2.4375 2.4476 6.3835 6.4047 6.7690 6.7843 9.3643 9.3653 12.9463 12.9515 13.6602 13.6946 13.8617 13.8710 k = 0.0898-0.1101-0.2269 ( 1739 PWs) bands (ev): -13.6318 -13.6308 -8.7032 -8.7012 -2.0381 -2.0024 -1.3731 -1.3530 -1.1310 -1.0550 -0.6553 -0.5731 -0.4966 -0.4259 -0.1157 -0.1029 1.0991 1.1745 1.2617 1.2981 2.4703 2.4803 6.3154 6.3374 6.7393 6.7556 9.3991 9.4002 12.8921 12.8968 13.6815 13.7117 13.9151 13.9296 k = 0.0954-0.1170-0.2411 ( 1735 PWs) bands (ev): -13.6271 -13.6261 -8.6989 -8.6969 -2.0164 -1.9777 -1.3769 -1.3524 -1.1384 -1.0560 -0.6684 -0.5722 -0.5093 -0.4247 -0.1305 -0.1168 1.0862 1.1643 1.2602 1.2984 2.5042 2.5141 6.2456 6.2685 6.7078 6.7251 9.4332 9.4343 12.8423 12.8467 13.6902 13.7172 13.9833 14.0023 k = 0.1010-0.1239-0.2552 ( 1733 PWs) bands (ev): -13.6223 -13.6212 -8.6944 -8.6923 -1.9943 -1.9524 -1.3811 -1.3516 -1.1462 -1.0572 -0.6822 -0.5710 -0.5227 -0.4227 -0.1448 -0.1305 1.0733 1.1540 1.2585 1.2984 2.5389 2.5489 6.1746 6.1983 6.6743 6.6925 9.4662 9.4675 12.7974 12.8019 13.6912 13.7165 14.0606 14.0829 k = 0.1067-0.1307-0.2694 ( 1737 PWs) bands (ev): -13.6173 -13.6162 -8.6898 -8.6876 -1.9718 -1.9265 -1.3855 -1.3503 -1.1541 -1.0585 -0.6967 -0.5696 -0.5368 -0.4202 -0.1586 -0.1439 1.0605 1.1437 1.2566 1.2981 2.5743 2.5844 6.1023 6.1267 6.6389 6.6581 9.4978 9.4991 12.7578 12.7627 13.6879 13.7123 14.1434 14.1685 k = 0.1123-0.1376-0.2836 ( 1737 PWs) bands (ev): -13.6121 -13.6110 -8.6850 -8.6828 -1.9492 -1.9003 -1.3902 -1.3484 -1.1623 -1.0600 -0.7116 -0.5684 -0.5507 -0.4170 -0.1715 -0.1568 1.0479 1.1334 1.2544 1.2975 2.6104 2.6208 6.0293 6.0543 6.6018 6.6218 9.5276 9.5290 12.7240 12.7295 13.6816 13.7058 14.2297 14.2572 k = 0.1179-0.1445-0.2978 ( 1737 PWs) bands (ev): -13.6069 -13.6057 -8.6801 -8.6778 -1.9267 -1.8739 -1.3951 -1.3458 -1.1708 -1.0618 -0.7268 -0.5721 -0.5598 -0.4131 -0.1833 -0.1691 1.0353 1.1231 1.2519 1.2965 2.6470 2.6577 5.9556 5.9813 6.5628 6.5837 9.5553 9.5568 12.6964 12.7027 13.6732 13.6975 14.3182 14.3481 k = 0.1235-0.1514-0.3120 ( 1737 PWs) bands (ev): -13.6015 -13.6003 -8.6750 -8.6727 -1.9045 -1.8475 -1.4000 -1.3423 -1.1795 -1.0641 -0.7422 -0.5855 -0.5590 -0.4086 -0.1941 -0.1807 1.0228 1.1128 1.2493 1.2953 2.6839 2.6950 5.8817 5.9080 6.5221 6.5439 9.5806 9.5822 12.6753 12.6826 13.6631 13.6876 14.4080 14.4403 k = 0.1291-0.1583-0.3261 ( 1735 PWs) bands (ev): -13.5960 -13.5947 -8.6699 -8.6675 -1.8829 -1.8214 -1.4050 -1.3377 -1.1884 -1.0667 -0.7576 -0.6010 -0.5559 -0.4037 -0.2035 -0.1911 1.0103 1.1025 1.2464 1.2939 2.7213 2.7327 5.8077 5.8345 6.4797 6.5024 9.6034 9.6051 12.6608 12.6692 13.6515 13.6764 14.4980 14.5331 k = 0.1347-0.1651-0.3403 ( 1739 PWs) bands (ev): -13.5904 -13.5892 -8.6647 -8.6623 -1.8621 -1.7957 -1.4100 -1.3321 -1.1976 -1.0700 -0.7728 -0.6170 -0.5523 -0.3986 -0.2116 -0.2001 0.9977 1.0920 1.2434 1.2922 2.7586 2.7705 5.7338 5.7610 6.4357 6.4592 9.6236 9.6253 12.6531 12.6627 13.6386 13.6639 14.5873 14.6258 k = 0.1403-0.1720-0.3545 ( 1741 PWs) bands (ev): -13.5848 -13.5836 -8.6594 -8.6569 -1.8423 -1.7707 -1.4148 -1.3252 -1.2068 -1.0739 -0.7877 -0.6330 -0.5482 -0.3935 -0.2184 -0.2070 0.9851 1.0815 1.2403 1.2904 2.7959 2.8083 5.6602 5.6878 6.3903 6.4145 9.6409 9.6427 12.6521 12.6630 13.6243 13.6501 14.6748 14.7175 k = 0.1460-0.1789-0.3687 ( 1739 PWs) bands (ev): -13.5792 -13.5779 -8.6540 -8.6515 -1.8238 -1.7465 -1.4193 -1.3170 -1.2159 -1.0784 -0.8021 -0.6488 -0.5440 -0.3886 -0.2241 -0.2111 0.9725 1.0707 1.2372 1.2885 2.8331 2.8459 5.5873 5.6152 6.3435 6.3684 9.6556 9.6574 12.6578 12.6701 13.6089 13.6350 14.7587 14.8071 k = 0.1516-0.1858-0.3829 ( 1741 PWs) bands (ev): -13.5735 -13.5722 -8.6486 -8.6461 -1.8068 -1.7236 -1.4237 -1.3079 -1.2245 -1.0836 -0.8158 -0.6642 -0.5400 -0.3843 -0.2286 -0.2120 0.9596 1.0596 1.2341 1.2866 2.8699 2.8831 5.5151 5.5433 6.2953 6.3209 9.6675 9.6694 12.6700 12.6838 13.5924 13.6188 14.8370 14.8933 k = 0.1572-0.1927-0.3970 ( 1737 PWs) bands (ev): -13.5678 -13.5665 -8.6432 -8.6407 -1.7914 -1.7020 -1.4276 -1.2985 -1.2318 -1.0895 -0.8288 -0.6789 -0.5362 -0.3809 -0.2314 -0.2097 0.9467 1.0483 1.2311 1.2848 2.9063 2.9198 5.4440 5.4725 6.2462 6.2724 9.6769 9.6789 12.6885 12.7039 13.5749 13.6015 14.9063 14.9740 k = 0.1628-0.1995-0.4112 ( 1737 PWs) bands (ev): -13.5622 -13.5609 -8.6378 -8.6353 -1.7777 -1.6819 -1.4312 -1.2906 -1.2360 -1.0959 -0.8411 -0.6930 -0.5330 -0.3788 -0.2320 -0.2041 0.9335 1.0365 1.2282 1.2830 2.9418 2.9557 5.3742 5.4028 6.1960 6.2229 9.6840 9.6861 12.7126 12.7299 13.5564 13.5829 14.9620 15.0459 k = 0.1684-0.2064-0.4254 ( 1745 PWs) bands (ev): -13.5566 -13.5553 -8.6324 -8.6299 -1.7658 -1.6638 -1.4345 -1.2873 -1.2341 -1.1029 -0.8525 -0.7063 -0.5306 -0.3782 -0.2301 -0.1956 0.9200 1.0242 1.2255 1.2816 2.9764 2.9905 5.3059 5.3346 6.1451 6.1725 9.6889 9.6912 12.7420 12.7614 13.5373 13.5634 14.9982 15.1035 k = 0.1740-0.2133-0.4396 ( 1745 PWs) bands (ev): -13.5510 -13.5498 -8.6270 -8.6245 -1.7556 -1.6476 -1.4373 -1.2896 -1.2247 -1.1101 -0.8631 -0.7185 -0.5289 -0.3790 -0.2253 -0.1841 0.9064 1.0115 1.2231 1.2804 3.0097 3.0240 5.2394 5.2681 6.0936 6.1215 9.6920 9.6946 12.7761 12.7980 13.5177 13.5430 15.0105 15.1380 k = 0.1796-0.2202-0.4537 ( 1745 PWs) bands (ev): -13.5455 -13.5443 -8.6217 -8.6192 -1.7469 -1.6335 -1.4398 -1.2955 -1.2100 -1.1174 -0.8729 -0.7296 -0.5282 -0.3811 -0.2176 -0.1702 0.8926 0.9983 1.2212 1.2798 3.0416 3.0560 5.1750 5.2036 6.0417 6.0701 9.6935 9.6965 12.8139 12.8390 13.4983 13.5221 14.9991 15.1409 k = 0.1853-0.2271-0.4679 ( 1747 PWs) bands (ev): -13.5402 -13.5389 -8.6164 -8.6140 -1.7397 -1.6217 -1.4422 -1.3028 -1.1925 -1.1246 -0.8818 -0.7397 -0.5284 -0.3843 -0.2070 -0.1541 0.8785 0.9844 1.2198 1.2797 3.0717 3.0862 5.1129 5.1413 5.9895 6.0185 9.6938 9.6973 12.8545 12.8834 13.4795 13.5010 14.9695 15.1138 k = 0.1909-0.2339-0.4821 ( 1747 PWs) bands (ev): -13.5349 -13.5336 -8.6113 -8.6088 -1.7339 -1.6119 -1.4447 -1.3103 -1.1732 -1.1314 -0.8901 -0.7485 -0.5296 -0.3883 -0.1937 -0.1362 0.8643 0.9700 1.2189 1.2802 3.0996 3.1141 5.0535 5.0816 5.9375 5.9668 9.6932 9.6973 12.8962 12.9303 13.4626 13.4805 14.9283 15.0680 k = 0.1965-0.2408-0.4963 ( 1747 PWs) bands (ev): -13.5297 -13.5285 -8.6062 -8.6038 -1.7291 -1.6042 -1.4476 -1.3175 -1.1530 -1.1376 -0.8976 -0.7560 -0.5316 -0.3930 -0.1781 -0.1170 0.8499 0.9549 1.2187 1.2816 3.1250 3.1395 4.9971 5.0248 5.8857 5.9155 9.6920 9.6969 12.9372 12.9780 13.4489 13.4617 14.8810 15.0135 k = 0.2021-0.2477-0.5105 ( 1747 PWs) bands (ev): -13.5247 -13.5235 -8.6013 -8.5989 -1.7254 -1.5982 -1.4510 -1.3241 -1.1431 -1.1321 -0.9045 -0.7624 -0.5343 -0.3980 -0.1605 -0.0967 0.8354 0.9392 1.2194 1.2839 3.1475 3.1619 4.9440 4.9712 5.8345 5.8647 9.6906 9.6962 12.9746 13.0242 13.4404 13.4472 14.8309 14.9560 k = 0.2077-0.2546-0.5246 ( 1751 PWs) bands (ev): -13.5198 -13.5186 -8.5965 -8.5941 -1.7225 -1.5939 -1.4550 -1.3301 -1.1476 -1.1111 -0.9109 -0.7676 -0.5376 -0.4033 -0.1413 -0.0759 0.8208 0.9229 1.2209 1.2871 3.1666 3.1809 4.8945 4.9211 5.7842 5.8147 9.6892 9.6957 13.0050 13.0654 13.4361 13.4443 14.7801 14.8982 k = 0.2133-0.2615-0.5388 ( 1747 PWs) bands (ev): -13.5151 -13.5139 -8.5918 -8.5894 -1.7202 -1.5909 -1.4597 -1.3354 -1.1511 -1.0900 -0.9165 -0.7716 -0.5413 -0.4086 -0.1207 -0.0547 0.8062 0.9060 1.2234 1.2915 3.1820 3.1962 4.8490 4.8748 5.7350 5.7658 9.6881 9.6955 13.0249 13.0966 13.4399 13.4571 14.7298 14.8415 k = 0.2189-0.2683-0.5530 ( 1745 PWs) bands (ev): -13.5106 -13.5094 -8.5873 -8.5849 -1.7186 -1.5890 -1.4649 -1.3403 -1.1536 -1.0691 -0.9215 -0.7745 -0.5453 -0.4139 -0.0993 -0.0337 0.7918 0.8886 1.2270 1.2972 3.1932 3.2074 4.8076 4.8325 5.6873 5.7185 9.6876 9.6960 13.0321 13.1130 13.4592 13.4843 14.6806 14.7865 k = 0.2245-0.2752-0.5672 ( 1745 PWs) bands (ev): -13.5063 -13.5051 -8.5829 -8.5806 -1.7174 -1.5880 -1.4706 -1.3449 -1.1550 -1.0487 -0.9258 -0.7764 -0.5495 -0.4190 -0.0774 -0.0132 0.7776 0.8707 1.2318 1.3042 3.1998 3.2141 4.7706 4.7945 5.6414 5.6729 9.6880 9.6974 13.0269 13.1131 13.4955 13.5250 14.6330 14.7335 k = 0.2302-0.2821-0.5814 ( 1747 PWs) bands (ev): -13.5021 -13.5010 -8.5788 -8.5765 -1.7166 -1.5878 -1.4764 -1.3493 -1.1556 -1.0289 -0.9294 -0.7775 -0.5538 -0.4239 -0.0554 0.0064 0.7636 0.8523 1.2380 1.3126 3.2015 3.2161 4.7380 4.7609 5.5978 5.6297 9.6894 9.6999 13.0113 13.0996 13.5461 13.5768 14.5870 14.6826 k = 0.2358-0.2890-0.5955 ( 1755 PWs) bands (ev): -13.4982 -13.4971 -8.5748 -8.5725 -1.7162 -1.5883 -1.4824 -1.3535 -1.1553 -1.0100 -0.9321 -0.7778 -0.5581 -0.4286 -0.0336 0.0247 0.7500 0.8336 1.2455 1.3225 3.1981 3.2131 4.7097 4.7315 5.5569 5.5891 9.6920 9.7037 12.9879 13.0765 13.6065 13.6368 14.5429 14.6339 k = 0.2414-0.2959-0.6097 ( 1749 PWs) bands (ev): -13.4945 -13.4933 -8.5711 -8.5688 -1.7159 -1.5891 -1.4879 -1.3573 -1.1542 -0.9922 -0.9335 -0.7774 -0.5622 -0.4327 -0.0122 0.0416 0.7370 0.8147 1.2547 1.3340 3.1895 3.2051 4.6856 4.7063 5.5191 5.5517 9.6961 9.7090 12.9590 13.0472 13.6737 13.7027 14.5005 14.5872 k = 0.2470-0.3028-0.6239 ( 1749 PWs) bands (ev): -13.4910 -13.4898 -8.5675 -8.5652 -1.7159 -1.5905 -1.4932 -1.3609 -1.1525 -0.9762 -0.9330 -0.7764 -0.5663 -0.4364 0.0083 0.0566 0.7245 0.7956 1.2654 1.3470 3.1757 3.1922 4.6652 4.6848 5.4850 5.5180 9.7018 9.7159 12.9259 13.0135 13.7451 13.7726 14.4599 14.5426 k = 0.2526-0.3096-0.6381 ( 1751 PWs) bands (ev): -13.4877 -13.4866 -8.5642 -8.5619 -1.7162 -1.5924 -1.4981 -1.3642 -1.1502 -0.9635 -0.9294 -0.7751 -0.5701 -0.4397 0.0276 0.0695 0.7127 0.7764 1.2777 1.3616 3.1569 3.1744 4.6481 4.6666 5.4551 5.4885 9.7093 9.7246 12.8899 12.9768 13.8191 13.8451 14.4209 14.4998 k = 0.2582-0.3165-0.6523 ( 1749 PWs) bands (ev): -13.4847 -13.4835 -8.5611 -8.5588 -1.7166 -1.5946 -1.5023 -1.3671 -1.1475 -0.9554 -0.9209 -0.7734 -0.5737 -0.4425 0.0458 0.0803 0.7014 0.7574 1.2917 1.3777 3.1335 3.1519 4.6334 4.6510 5.4300 5.4637 9.7187 9.7353 12.8516 12.9379 13.8947 13.9190 14.3837 14.4590 k = 0.2638-0.3234-0.6664 ( 1747 PWs) bands (ev): -13.4819 -13.4807 -8.5582 -8.5559 -1.7173 -1.5972 -1.5059 -1.3695 -1.1444 -0.9510 -0.9088 -0.7713 -0.5770 -0.4447 0.0624 0.0888 0.6908 0.7386 1.3073 1.3954 3.1056 3.1252 4.6206 4.6373 5.4101 5.4442 9.7300 9.7480 12.8116 12.8974 13.9706 13.9930 14.3486 14.4201 k = 0.2695-0.3303-0.6806 ( 1753 PWs) bands (ev): -13.4793 -13.4782 -8.5556 -8.5533 -1.7182 -1.6003 -1.5090 -1.3715 -1.1410 -0.9482 -0.8952 -0.7692 -0.5800 -0.4465 0.0771 0.0949 0.6808 0.7201 1.3243 1.4144 3.0740 3.0946 4.6087 4.6247 5.3959 5.4303 9.7435 9.7628 12.7703 12.8557 14.0453 14.0650 14.3166 14.3841 k = 0.2751-0.3372-0.6948 ( 1749 PWs) bands (ev): -13.4770 -13.4758 -8.5532 -8.5509 -1.7194 -1.6038 -1.5113 -1.3729 -1.1372 -0.9454 -0.8813 -0.7667 -0.5825 -0.4477 0.0900 0.0993 0.6711 0.7022 1.3428 1.4346 3.0391 3.0608 4.5972 4.6126 5.3879 5.4226 9.7592 9.7799 12.7280 12.8131 14.1157 14.1296 14.2924 14.3531 k = 0.2807-0.3440-0.7090 ( 1747 PWs) bands (ev): -13.4749 -13.4737 -8.5510 -8.5487 -1.7210 -1.6077 -1.5129 -1.3736 -1.1331 -0.9423 -0.8676 -0.7641 -0.5847 -0.4485 0.0982 0.1043 0.6616 0.6852 1.3624 1.4560 3.0013 3.0241 4.5855 4.6003 5.3862 5.4212 9.7771 9.7993 12.6851 12.7698 14.1674 14.1740 14.2931 14.3357 k = 0.2863-0.3509-0.7232 ( 1743 PWs) bands (ev): -13.4730 -13.4719 -8.5491 -8.5467 -1.7229 -1.6121 -1.5137 -1.3736 -1.1287 -0.9387 -0.8544 -0.7612 -0.5865 -0.4487 0.0994 0.1126 0.6517 0.6698 1.3830 1.4781 2.9611 2.9850 4.5731 4.5874 5.3909 5.4261 9.7974 9.8210 12.6416 12.7260 14.1635 14.1953 14.3351 14.3533 k = 0.2919-0.3578-0.7373 ( 1747 PWs) bands (ev): -13.4714 -13.4703 -8.5474 -8.5450 -1.7254 -1.6172 -1.5139 -1.3729 -1.1241 -0.9344 -0.8417 -0.7581 -0.5879 -0.4486 0.0977 0.1200 0.6403 0.6569 1.4042 1.5009 2.9190 2.9441 4.5598 4.5737 5.4019 5.4372 9.8201 9.8452 12.5977 12.6819 14.1377 14.1802 14.3962 14.4062 k = 0.2975-0.3647-0.7515 ( 1749 PWs) bands (ev): -13.4700 -13.4689 -8.5459 -8.5435 -1.7283 -1.6228 -1.5134 -1.3715 -1.1193 -0.9294 -0.8297 -0.7546 -0.5889 -0.4482 0.0947 0.1259 0.6272 0.6467 1.4256 1.5239 2.8756 2.9018 4.5456 4.5590 5.4189 5.4542 9.8453 9.8718 12.5536 12.6376 14.1052 14.1499 14.4624 14.4698 k = 0.3031-0.3716-0.7657 ( 1749 PWs) bands (ev): -13.4688 -13.4677 -8.5446 -8.5423 -1.7318 -1.6291 -1.5123 -1.3694 -1.1143 -0.9237 -0.8183 -0.7505 -0.5895 -0.4474 0.0905 0.1303 0.6136 0.6384 1.4471 1.5469 2.8312 2.8588 4.5306 4.5435 5.4415 5.4768 9.8729 9.9010 12.5095 12.5933 14.0698 14.1140 14.5289 14.5337 k = 0.3088-0.3784-0.7799 ( 1749 PWs) bands (ev): -13.4679 -13.4667 -8.5436 -8.5412 -1.7360 -1.6361 -1.5104 -1.3665 -1.1093 -0.9172 -0.8075 -0.7458 -0.5897 -0.4463 0.0855 0.1331 0.6003 0.6310 1.4680 1.5695 2.7864 2.8154 4.5149 4.5273 5.4692 5.5045 9.9030 9.9326 12.4654 12.5491 14.0325 14.0753 14.5928 14.5947 k = 0.3144-0.3853-0.7941 ( 1749 PWs) bands (ev): -13.4671 -13.4660 -8.5427 -8.5403 -1.7408 -1.6439 -1.5078 -1.3628 -1.1042 -0.9101 -0.7973 -0.7403 -0.5897 -0.4450 0.0798 0.1344 0.5878 0.6242 1.4880 1.5913 2.7415 2.7721 4.4988 4.5107 5.5015 5.5367 9.9356 9.9668 12.4215 12.5051 13.9935 14.0345 14.6511 14.6526 k = 0.3200-0.3922-0.8082 ( 1749 PWs) bands (ev): -13.4666 -13.4655 -8.5421 -8.5397 -1.7463 -1.6524 -1.5045 -1.3583 -1.0992 -0.9023 -0.7878 -0.7341 -0.5894 -0.4434 0.0738 0.1346 0.5762 0.6179 1.5067 1.6118 2.6970 2.7294 4.4825 4.4939 5.5379 5.5730 9.9706 10.0034 12.3778 12.4615 13.9529 13.9920 14.7020 14.7067 k = 0.3256-0.3991-0.8224 ( 1751 PWs) bands (ev): -13.4663 -13.4651 -8.5417 -8.5393 -1.7525 -1.6618 -1.5006 -1.3531 -1.0944 -0.8939 -0.7787 -0.7269 -0.5889 -0.4415 0.0674 0.1336 0.5658 0.6120 1.5235 1.6306 2.6534 2.6878 4.4662 4.4772 5.5779 5.6128 10.0081 10.0425 12.3344 12.4183 13.9104 13.9477 14.7467 14.7542 k = 0.3312-0.4060-0.8366 ( 1747 PWs) bands (ev): -13.4661 -13.4649 -8.5414 -8.5390 -1.7594 -1.6719 -1.4960 -1.3471 -1.0897 -0.8848 -0.7700 -0.7188 -0.5883 -0.4392 0.0610 0.1315 0.5566 0.6066 1.5382 1.6473 2.6111 2.6478 4.4503 4.4608 5.6210 5.6558 10.0480 10.0840 12.2916 12.3757 13.8662 13.9016 14.7849 14.7948 k = 0.3368-0.4128-0.8508 ( 1747 PWs) bands (ev): -13.4661 -13.4649 -8.5413 -8.5389 -1.7671 -1.6829 -1.4908 -1.3405 -1.0854 -0.8752 -0.7614 -0.7100 -0.5877 -0.4366 0.0545 0.1287 0.5488 0.6018 1.5500 1.6611 2.5707 2.6097 4.4349 4.4449 5.6667 5.7013 10.0901 10.1277 12.2493 12.3338 13.8200 13.8538 14.8167 14.8283 k = 0.3424-0.4197-0.8650 ( 1745 PWs) bands (ev): -13.4663 -13.4651 -8.5414 -8.5390 -1.7754 -1.6945 -1.4850 -1.3333 -1.0815 -0.8652 -0.7528 -0.7005 -0.5871 -0.4336 0.0479 0.1250 0.5424 0.5976 1.5587 1.6717 2.5327 2.5740 4.4201 4.4296 5.7147 5.7492 10.1344 10.1737 12.2077 12.2926 13.7719 13.8042 14.8428 14.8554 k = 0.3481-0.4266-0.8791 ( 1745 PWs) bands (ev): -13.4666 -13.4655 -8.5416 -8.5392 -1.7844 -1.7069 -1.4788 -1.3256 -1.0782 -0.8547 -0.7441 -0.6905 -0.5866 -0.4301 0.0413 0.1209 0.5374 0.5942 1.5638 1.6784 2.4976 2.5412 4.4060 4.4150 5.7647 5.7989 10.1808 10.2218 12.1668 12.2524 13.7218 13.7528 14.8637 14.8770 k = 0.6519-0.2485-0.7676 ( 1745 PWs) bands (ev): -13.4666 -13.4655 -8.5416 -8.5392 -1.7844 -1.7069 -1.4788 -1.3256 -1.0782 -0.8547 -0.7441 -0.6905 -0.5866 -0.4301 0.0413 0.1209 0.5374 0.5942 1.5638 1.6784 2.4976 2.5412 4.4060 4.4150 5.7647 5.7989 10.1808 10.2218 12.1668 12.2524 13.7218 13.7528 14.8637 14.8770 k = 0.6465-0.2333-0.7676 ( 1745 PWs) bands (ev): -13.4671 -13.4659 -8.5420 -8.5396 -1.7938 -1.7194 -1.4723 -1.3176 -1.0754 -0.8444 -0.7355 -0.6804 -0.5861 -0.4262 0.0349 0.1164 0.5342 0.5918 1.5650 1.6806 2.4670 2.5124 4.3933 4.4018 5.8144 5.8484 10.2275 10.2701 12.1282 12.2146 13.6714 13.7015 14.8800 14.8936 k = 0.6411-0.2180-0.7676 ( 1747 PWs) bands (ev): -13.4677 -13.4665 -8.5424 -8.5401 -1.8037 -1.7325 -1.4655 -1.3092 -1.0731 -0.8339 -0.7267 -0.6699 -0.5856 -0.4217 0.0282 0.1116 0.5324 0.5903 1.5622 1.6784 2.4400 2.4867 4.3814 4.3894 5.8653 5.8991 10.2758 10.3201 12.0905 12.1778 13.6193 13.6486 14.8931 14.9069 k = 0.6357-0.2028-0.7676 ( 1751 PWs) bands (ev): -13.4684 -13.4672 -8.5430 -8.5407 -1.8140 -1.7461 -1.4583 -1.3006 -1.0713 -0.8233 -0.7177 -0.6591 -0.5849 -0.4168 0.0213 0.1065 0.5320 0.5899 1.5555 1.6714 2.4168 2.4643 4.3704 4.3780 5.9172 5.9506 10.3256 10.3716 12.0539 12.1424 13.5655 13.5943 14.9037 14.9176 k = 0.6302-0.1876-0.7676 ( 1751 PWs) bands (ev): -13.4691 -13.4680 -8.5437 -8.5414 -1.8249 -1.7601 -1.4507 -1.2917 -1.0699 -0.8128 -0.7086 -0.6478 -0.5839 -0.4112 0.0141 0.1012 0.5333 0.5906 1.5448 1.6597 2.3976 2.4453 4.3603 4.3674 5.9698 6.0029 10.3766 10.4244 12.0186 12.1084 13.5101 13.5386 14.9124 14.9262 k = 0.6248-0.1723-0.7676 ( 1747 PWs) bands (ev): -13.4700 -13.4689 -8.5444 -8.5421 -1.8360 -1.7743 -1.4429 -1.2825 -1.0688 -0.8026 -0.6995 -0.6362 -0.5822 -0.4051 0.0064 0.0959 0.5361 0.5927 1.5302 1.6432 2.3824 2.4294 4.3511 4.3578 6.0229 6.0555 10.4286 10.4781 11.9847 12.0760 13.4533 13.4819 14.9195 14.9334 k = 0.6194-0.1571-0.7676 ( 1745 PWs) bands (ev): -13.4709 -13.4698 -8.5452 -8.5430 -1.8474 -1.7888 -1.4348 -1.2733 -1.0681 -0.7931 -0.6905 -0.6242 -0.5799 -0.3985 -0.0017 0.0904 0.5405 0.5961 1.5121 1.6222 2.3709 2.4166 4.3428 4.3491 6.0761 6.1083 10.4813 10.5326 11.9524 12.0455 13.3953 13.4241 14.9253 14.9392 k = 0.6140-0.1419-0.7676 ( 1747 PWs) bands (ev): -13.4719 -13.4709 -8.5461 -8.5439 -1.8590 -1.8035 -1.4265 -1.2642 -1.0674 -0.7846 -0.6818 -0.6118 -0.5764 -0.3915 -0.0105 0.0848 0.5463 0.6009 1.4905 1.5971 2.3627 2.4065 4.3354 4.3412 6.1294 6.1610 10.5343 10.5874 11.9220 12.0171 13.3363 13.3656 14.9302 14.9442 k = 0.6085-0.1266-0.7676 ( 1743 PWs) bands (ev): -13.4729 -13.4719 -8.5470 -8.5449 -1.8708 -1.8183 -1.4180 -1.2552 -1.0668 -0.7773 -0.6730 -0.5989 -0.5717 -0.3841 -0.0197 0.0791 0.5536 0.6071 1.4661 1.5686 2.3573 2.3988 4.3288 4.3342 6.1825 6.2135 10.5873 10.6423 11.8937 11.9910 13.2765 13.3065 14.9343 14.9482 k = 0.6031-0.1114-0.7676 ( 1745 PWs) bands (ev): -13.4740 -13.4730 -8.5480 -8.5459 -1.8826 -1.8330 -1.4095 -1.2465 -1.0662 -0.7718 -0.6641 -0.5858 -0.5657 -0.3764 -0.0295 0.0732 0.5622 0.6146 1.4393 1.5372 2.3543 2.3932 4.3230 4.3280 6.2351 6.2654 10.6398 10.6966 11.8679 11.9676 13.2163 13.2472 14.9376 14.9516 k = 0.5977-0.0962-0.7676 ( 1749 PWs) bands (ev): -13.4751 -13.4742 -8.5490 -8.5470 -1.8944 -1.8477 -1.4008 -1.2384 -1.0652 -0.7683 -0.6548 -0.5726 -0.5583 -0.3685 -0.0398 0.0672 0.5721 0.6236 1.4104 1.5034 2.3531 2.3892 4.3179 4.3225 6.2870 6.3165 10.6913 10.7498 11.8450 11.9473 13.1558 13.1878 14.9404 14.9543 k = 0.5923-0.0809-0.7676 ( 1749 PWs) bands (ev): -13.4762 -13.4753 -8.5500 -8.5480 -1.9060 -1.8622 -1.3920 -1.2309 -1.0636 -0.7669 -0.6450 -0.5598 -0.5491 -0.3603 -0.0504 0.0609 0.5833 0.6337 1.3801 1.4678 2.3534 2.3867 4.3135 4.3178 6.3380 6.3667 10.7413 10.8014 11.8255 11.9303 13.0954 13.1287 14.9426 14.9565 k = 0.5868-0.0657-0.7676 ( 1755 PWs) bands (ev): -13.4774 -13.4765 -8.5510 -8.5491 -1.9174 -1.8764 -1.3833 -1.2243 -1.0614 -0.7675 -0.6347 -0.5483 -0.5377 -0.3521 -0.0612 0.0545 0.5954 0.6451 1.3486 1.4309 2.3547 2.3852 4.3097 4.3136 6.3879 6.4156 10.7892 10.8506 11.8099 11.9173 13.0352 13.0700 14.9443 14.9580 k = 0.5814-0.0504-0.7676 ( 1755 PWs) bands (ev): -13.4785 -13.4776 -8.5520 -8.5502 -1.9285 -1.8902 -1.3745 -1.2187 -1.0583 -0.7700 -0.6237 -0.5380 -0.5243 -0.3437 -0.0722 0.0478 0.6087 0.6575 1.3164 1.3932 2.3568 2.3846 4.3064 4.3100 6.4364 6.4631 10.8344 10.8968 11.7988 11.9085 12.9757 13.0120 14.9456 14.9591 k = 0.5760-0.0352-0.7676 ( 1751 PWs) bands (ev): -13.4796 -13.4788 -8.5529 -8.5512 -1.9391 -1.9036 -1.3656 -1.2143 -1.0540 -0.7740 -0.6124 -0.5281 -0.5099 -0.3351 -0.0831 0.0409 0.6228 0.6710 1.2839 1.3549 2.3594 2.3846 4.3037 4.3070 6.4834 6.5089 10.8763 10.9391 11.7928 11.9044 12.9169 12.9549 14.9464 14.9598 k = 0.5705-0.0200-0.7676 ( 1749 PWs) bands (ev): -13.4806 -13.4798 -8.5539 -8.5523 -1.9494 -1.9165 -1.3568 -1.2111 -1.0486 -0.7794 -0.6009 -0.5187 -0.4952 -0.3267 -0.0937 0.0338 0.6378 0.6852 1.2514 1.3165 2.3623 2.3850 4.3014 4.3044 6.5286 6.5528 10.9143 10.9767 11.7925 11.9054 12.8590 12.8988 14.9469 14.9599 k = 0.5651-0.0047-0.7676 ( 1747 PWs) bands (ev): -13.4816 -13.4809 -8.5548 -8.5533 -1.9590 -1.9289 -1.3481 -1.2092 -1.0420 -0.7859 -0.5894 -0.5096 -0.4804 -0.3183 -0.1039 0.0264 0.6535 0.7000 1.2191 1.2782 2.3653 2.3856 4.2995 4.3022 6.5717 6.5946 10.9481 11.0092 11.7984 11.9116 12.8022 12.8440 14.9469 14.9596 k = 0.5597 0.0105-0.7676 ( 1751 PWs) bands (ev): -13.4826 -13.4819 -8.5556 -8.5543 -1.9681 -1.9406 -1.3395 -1.2087 -1.0343 -0.7934 -0.5780 -0.5011 -0.4657 -0.3104 -0.1133 0.0187 0.6698 0.7155 1.1872 1.2403 2.3683 2.3864 4.2980 4.3004 6.6125 6.6339 10.9774 11.0361 11.8106 11.9233 12.7466 12.7905 14.9466 14.9588 k = 0.5543 0.0257-0.7676 ( 1751 PWs) bands (ev): -13.4835 -13.4829 -8.5564 -8.5552 -1.9765 -1.9515 -1.3309 -1.2093 -1.0256 -0.8017 -0.5668 -0.4933 -0.4510 -0.3031 -0.1215 0.0107 0.6867 0.7314 1.1562 1.2029 2.3712 2.3873 4.2966 4.2988 6.6508 6.6707 11.0021 11.0573 11.8290 11.9402 12.6924 12.7385 14.9460 14.9577 k = 0.5488 0.0410-0.7676 ( 1745 PWs) bands (ev): -13.4843 -13.4838 -8.5572 -8.5560 -1.9841 -1.9617 -1.3225 -1.2108 -1.0159 -0.8106 -0.5559 -0.4864 -0.4365 -0.2967 -0.1282 0.0024 0.7041 0.7476 1.1260 1.1664 2.3741 2.3882 4.2957 4.2976 6.6864 6.7046 11.0224 11.0733 11.8534 11.9620 12.6395 12.6879 14.9452 14.9562 k = 0.5434 0.0562-0.7676 ( 1745 PWs) bands (ev): -13.4851 -13.4846 -8.5579 -8.5568 -1.9910 -1.9712 -1.3142 -1.2133 -1.0055 -0.8201 -0.5454 -0.4807 -0.4223 -0.2917 -0.1328 -0.0062 0.7221 0.7642 1.0969 1.1308 2.3767 2.3889 4.2949 4.2965 6.7191 6.7355 11.0387 11.0845 11.8828 11.9883 12.5878 12.6387 14.9442 14.9544 k = 0.5380 0.0714-0.7676 ( 1743 PWs) bands (ev): -13.4858 -13.4853 -8.5585 -8.5575 -1.9971 -1.9797 -1.3060 -1.2166 -0.9945 -0.8301 -0.5352 -0.4761 -0.4085 -0.2887 -0.1350 -0.0152 0.7406 0.7809 1.0689 1.0963 2.3791 2.3896 4.2943 4.2957 6.7485 6.7631 11.0515 11.0917 11.9166 12.0184 12.5375 12.5909 14.9431 14.9524 k = 0.5326 0.0867-0.7676 ( 1737 PWs) bands (ev): -13.4864 -13.4860 -8.5590 -8.5582 -2.0022 -1.9873 -1.2980 -1.2205 -0.9830 -0.8406 -0.5255 -0.4728 -0.3950 -0.2879 -0.1344 -0.0245 0.7597 0.7979 1.0422 1.0630 2.3813 2.3902 4.2939 4.2951 6.7748 6.7874 11.0614 11.0958 11.9538 12.0515 12.4884 12.5444 14.9419 14.9502 k = 0.5271 0.1019-0.7676 ( 1737 PWs) bands (ev): -13.4869 -13.4866 -8.5594 -8.5588 -2.0065 -1.9942 -1.2901 -1.2251 -0.9712 -0.8515 -0.5165 -0.4710 -0.3819 -0.2895 -0.1311 -0.0343 0.7794 0.8151 1.0167 1.0309 2.3832 2.3905 4.2935 4.2945 6.7975 6.8082 11.0689 11.0974 11.9935 12.0872 12.4403 12.4991 14.9409 14.9480 k = 0.5217 0.1171-0.7676 ( 1734 PWs) bands (ev): -13.4873 -13.4871 -8.5598 -8.5592 -2.0098 -1.9999 -1.2825 -1.2301 -0.9591 -0.8627 -0.5079 -0.4705 -0.3692 -0.2933 -0.1253 -0.0443 0.7997 0.8325 0.9925 1.0002 2.3850 2.3908 4.2933 4.2941 6.8165 6.8251 11.0747 11.0973 12.0351 12.1246 12.3931 12.4548 14.9399 14.9458 k = 0.5163 0.1324-0.7676 ( 1738 PWs) bands (ev): -13.4877 -13.4875 -8.5600 -8.5596 -2.0121 -2.0047 -1.2751 -1.2357 -0.9470 -0.8742 -0.5001 -0.4713 -0.3571 -0.2991 -0.1175 -0.0548 0.8208 0.8501 0.9694 0.9709 2.3865 2.3907 4.2931 4.2937 6.8316 6.8381 11.0793 11.0961 12.0779 12.1635 12.3467 12.4113 14.9393 14.9438 k = 0.5109 0.1476-0.7676 ( 1736 PWs) bands (ev): -13.4879 -13.4877 -8.5602 -8.5599 -2.0134 -2.0085 -1.2679 -1.2415 -0.9346 -0.8860 -0.4929 -0.4735 -0.3456 -0.3064 -0.1083 -0.0655 0.8428 0.8681 0.9429 0.9477 2.3877 2.3905 4.2931 4.2934 6.8428 6.8472 11.0830 11.0941 12.1216 12.2032 12.3009 12.3686 14.9390 14.9421 k = 0.5054 0.1629-0.7676 ( 1736 PWs) bands (ev): -13.4880 -13.4879 -8.5603 -8.5601 -2.0138 -2.0113 -1.2609 -1.2477 -0.9223 -0.8979 -0.4866 -0.4768 -0.3346 -0.3149 -0.0981 -0.0765 0.8657 0.8861 0.9169 0.9270 2.3887 2.3901 4.2931 4.2933 6.8500 6.8522 11.0862 11.0918 12.1658 12.2430 12.2563 12.3266 14.9391 14.9407 k = 0.5000 0.1781-0.7676 ( 1738 PWs) bands (ev): -13.4880 -13.4880 -8.5603 -8.5603 -2.0131 -2.0131 -1.2542 -1.2542 -0.9101 -0.9101 -0.4812 -0.4812 -0.3244 -0.3244 -0.0874 -0.0874 0.8886 0.8886 0.9081 0.9081 2.3895 2.3895 4.2931 4.2931 6.8531 6.8531 11.0891 11.0891 12.2103 12.2103 12.2851 12.2851 14.9397 14.9397 k = 0.5000 0.1781-0.7676 ( 1738 PWs) bands (ev): -13.4880 -13.4880 -8.5603 -8.5603 -2.0131 -2.0131 -1.2542 -1.2542 -0.9101 -0.9101 -0.4812 -0.4812 -0.3244 -0.3244 -0.0874 -0.0874 0.8886 0.8886 0.9081 0.9081 2.3895 2.3895 4.2931 4.2931 6.8531 6.8531 11.0891 11.0891 12.2103 12.2103 12.2851 12.2851 14.9397 14.9397 k = 0.5127 0.1826-0.7583 ( 1738 PWs) bands (ev): -13.4880 -13.4880 -8.5604 -8.5604 -2.0130 -2.0121 -1.2561 -1.2531 -0.9129 -0.9089 -0.4884 -0.4748 -0.3284 -0.3204 -0.0900 -0.0826 0.8892 0.8896 0.9062 0.9084 2.3892 2.3910 4.2947 4.2958 6.8500 6.8501 11.0786 11.0835 12.2117 12.2204 12.2908 12.2922 14.9163 14.9393 k = 0.5253 0.1871-0.7490 ( 1737 PWs) bands (ev): -13.4881 -13.4880 -8.5608 -8.5607 -2.0118 -2.0100 -1.2590 -1.2528 -0.9172 -0.9093 -0.4962 -0.4694 -0.3322 -0.3167 -0.0903 -0.0756 0.8895 0.8903 0.9045 0.9087 2.3901 2.3936 4.3004 4.3027 6.8408 6.8411 11.0529 11.0623 12.2247 12.2403 12.3100 12.3115 14.8706 14.9098 k = 0.5380 0.1916-0.7397 ( 1737 PWs) bands (ev): -13.4881 -13.4880 -8.5614 -8.5612 -2.0095 -2.0069 -1.2627 -1.2535 -0.9232 -0.9113 -0.5042 -0.4651 -0.3357 -0.3135 -0.0884 -0.0667 0.8836 0.8859 0.9088 0.9140 2.3923 2.3974 4.3102 4.3137 6.8258 6.8262 11.0139 11.0271 12.2480 12.2678 12.3424 12.3429 14.8037 14.8464 k = 0.5506 0.1961-0.7304 ( 1737 PWs) bands (ev): -13.4882 -13.4881 -8.5622 -8.5620 -2.0062 -2.0027 -1.2672 -1.2551 -0.9305 -0.9148 -0.5124 -0.4624 -0.3386 -0.3108 -0.0843 -0.0559 0.8717 0.8757 0.9190 0.9248 2.3957 2.4023 4.3240 4.3285 6.8051 6.8057 10.9640 10.9801 12.2801 12.3015 12.3837 12.3880 14.7184 14.7540 k = 0.5633 0.2006-0.7211 ( 1739 PWs) bands (ev): -13.4883 -13.4881 -8.5633 -8.5630 -2.0018 -1.9975 -1.2724 -1.2576 -0.9390 -0.9198 -0.5206 -0.4612 -0.3408 -0.3086 -0.0782 -0.0434 0.8559 0.8613 0.9331 0.9396 2.4005 2.4085 4.3415 4.3471 6.7790 6.7798 10.9056 10.9238 12.3199 12.3416 12.4338 12.4426 14.6197 14.6443 k = 0.5760 0.2052-0.7118 ( 1742 PWs) bands (ev): -13.4884 -13.4882 -8.5645 -8.5642 -1.9964 -1.9912 -1.2784 -1.2609 -0.9487 -0.9261 -0.5288 -0.4616 -0.3423 -0.3070 -0.0701 -0.0295 0.8369 0.8435 0.9503 0.9577 2.4065 2.4158 4.3626 4.3692 6.7478 6.7487 10.8409 10.8606 12.3665 12.3881 12.4906 12.5041 14.5131 14.5263 k = 0.5886 0.2097-0.7025 ( 1744 PWs) bands (ev): -13.4885 -13.4883 -8.5660 -8.5655 -1.9901 -1.9840 -1.2850 -1.2649 -0.9592 -0.9335 -0.5370 -0.4635 -0.3431 -0.3059 -0.0602 -0.0144 0.8150 0.8225 0.9705 0.9787 2.4141 2.4245 4.3869 4.3945 6.7121 6.7131 10.7715 10.7923 12.4195 12.4411 12.5521 12.5699 14.4026 14.4056 k = 0.6013 0.2142-0.6933 ( 1742 PWs) bands (ev): -13.4886 -13.4884 -8.5676 -8.5671 -1.9827 -1.9758 -1.2920 -1.2695 -0.9705 -0.9419 -0.5449 -0.4665 -0.3435 -0.3054 -0.0488 0.0016 0.7906 0.7988 0.9933 1.0022 2.4231 2.4346 4.4142 4.4228 6.6722 6.6734 10.6989 10.7203 12.4782 12.5004 12.6164 12.6381 14.2854 14.2917 k = 0.6140 0.2187-0.6840 ( 1742 PWs) bands (ev): -13.4888 -13.4885 -8.5694 -8.5688 -1.9745 -1.9666 -1.2996 -1.2749 -0.9824 -0.9512 -0.5528 -0.4706 -0.3435 -0.3052 -0.0361 0.0183 0.7639 0.7726 1.0184 1.0281 2.4337 2.4460 4.4442 4.4536 6.6287 6.6300 10.6242 10.6460 12.5420 12.5656 12.6819 12.7069 14.1677 14.1828 k = 0.6266 0.2232-0.6747 ( 1744 PWs) bands (ev): -13.4890 -13.4887 -8.5713 -8.5707 -1.9654 -1.9566 -1.3076 -1.2807 -0.9946 -0.9611 -0.5606 -0.4755 -0.3434 -0.3054 -0.0224 0.0354 0.7353 0.7442 1.0456 1.0560 2.4457 2.4588 4.4763 4.4866 6.5819 6.5834 10.5483 10.5703 12.6100 12.6362 12.7469 12.7746 14.0547 14.0784 k = 0.6393 0.2277-0.6654 ( 1742 PWs) bands (ev): -13.4892 -13.4889 -8.5733 -8.5727 -1.9554 -1.9458 -1.3158 -1.2870 -1.0071 -0.9714 -0.5683 -0.4808 -0.3433 -0.3060 -0.0079 0.0525 0.7053 0.7142 1.0746 1.0858 2.4594 2.4730 4.5103 4.5215 6.5325 6.5342 10.4719 10.4939 12.6806 12.7118 12.8103 12.8390 13.9483 13.9808 k = 0.6519 0.2322-0.6561 ( 1740 PWs) bands (ev): -13.4895 -13.4891 -8.5755 -8.5748 -1.9446 -1.9341 -1.3242 -1.2936 -1.0196 -0.9822 -0.5759 -0.4866 -0.3431 -0.3067 0.0068 0.0693 0.6743 0.6828 1.1051 1.1170 2.4746 2.4887 4.5458 4.5578 6.4810 6.4828 10.3956 10.4176 12.7510 12.7917 12.8714 12.8974 13.8514 13.8930 k = 0.6519 0.2322-0.6561 ( 1740 PWs) bands (ev): -13.4895 -13.4891 -8.5755 -8.5748 -1.9446 -1.9341 -1.3242 -1.2936 -1.0196 -0.9822 -0.5759 -0.4866 -0.3431 -0.3067 0.0068 0.0693 0.6743 0.6828 1.1051 1.1170 2.4746 2.4887 4.5458 4.5578 6.4810 6.4828 10.3956 10.4176 12.7510 12.7917 12.8714 12.8974 13.8514 13.8930 k = 0.6487 0.2311-0.6397 ( 1746 PWs) bands (ev): -13.4908 -13.4904 -8.5791 -8.5783 -1.9426 -1.9307 -1.3242 -1.2903 -1.0157 -0.9768 -0.5881 -0.4881 -0.3451 -0.3078 0.0044 0.0697 0.6726 0.6748 1.1176 1.1319 2.4591 2.4733 4.5735 4.5865 6.4739 6.4762 10.4292 10.4522 12.7455 12.8071 12.8614 12.8677 13.8115 13.8565 k = 0.6455 0.2299-0.6234 ( 1746 PWs) bands (ev): -13.4924 -13.4919 -8.5833 -8.5823 -1.9401 -1.9267 -1.3240 -1.2871 -1.0106 -0.9708 -0.6015 -0.4902 -0.3474 -0.3093 -0.0005 0.0678 0.6685 0.6726 1.1311 1.1477 2.4457 2.4599 4.6020 4.6159 6.4674 6.4700 10.4656 10.4897 12.7313 12.8212 12.8409 12.8617 13.7693 13.8173 k = 0.6422 0.2288-0.6071 ( 1748 PWs) bands (ev): -13.4943 -13.4938 -8.5879 -8.5868 -1.9371 -1.9222 -1.3240 -1.2842 -1.0042 -0.9646 -0.6165 -0.4931 -0.3500 -0.3111 -0.0078 0.0637 0.6642 0.6742 1.1455 1.1642 2.4339 2.4481 4.6312 4.6461 6.4613 6.4643 10.5047 10.5299 12.7103 12.8046 12.8462 12.8705 13.7244 13.7751 k = 0.6390 0.2276-0.5907 ( 1750 PWs) bands (ev): -13.4965 -13.4959 -8.5930 -8.5918 -1.9335 -1.9171 -1.3241 -1.2816 -0.9966 -0.9581 -0.6332 -0.4968 -0.3527 -0.3133 -0.0170 0.0580 0.6619 0.6776 1.1608 1.1814 2.4236 2.4378 4.6613 4.6771 6.4557 6.4591 10.5463 10.5726 12.6851 12.7752 12.8658 12.8849 13.6769 13.7298 k = 0.6358 0.2265-0.5744 ( 1749 PWs) bands (ev): -13.4989 -13.4982 -8.5985 -8.5972 -1.9293 -1.9114 -1.3243 -1.2794 -0.9877 -0.9515 -0.6515 -0.5014 -0.3555 -0.3158 -0.0279 0.0509 0.6619 0.6827 1.1769 1.1991 2.4143 2.4285 4.6924 4.7090 6.4506 6.4543 10.5904 10.6179 12.6575 12.7450 12.8875 12.9031 13.6265 13.6814 k = 0.6326 0.2253-0.5581 ( 1751 PWs) bands (ev): -13.5016 -13.5009 -8.6045 -8.6030 -1.9245 -1.9053 -1.3249 -1.2777 -0.9777 -0.9451 -0.6716 -0.5070 -0.3582 -0.3184 -0.0400 0.0429 0.6640 0.6895 1.1936 1.2174 2.4057 2.4199 4.7245 4.7419 6.4459 6.4500 10.6368 10.6655 12.6284 12.7143 12.9108 12.9241 13.5734 13.6298 k = 0.6293 0.2242-0.5418 ( 1749 PWs) bands (ev): -13.5045 -13.5037 -8.6109 -8.6093 -1.9192 -1.8985 -1.3258 -1.2765 -0.9665 -0.9389 -0.6934 -0.5135 -0.3609 -0.3212 -0.0524 0.0344 0.6683 0.6980 1.2110 1.2361 2.3974 2.4116 4.7577 4.7758 6.4417 6.4461 10.6852 10.7151 12.5982 12.6832 12.9354 12.9473 13.5177 13.5752 k = 0.6261 0.2230-0.5254 ( 1751 PWs) bands (ev): -13.5077 -13.5068 -8.6177 -8.6159 -1.9134 -1.8912 -1.3270 -1.2758 -0.9543 -0.9334 -0.7170 -0.5208 -0.3638 -0.3243 -0.0647 0.0260 0.6746 0.7080 1.2290 1.2552 2.3890 2.4032 4.7921 4.8109 6.4379 6.4426 10.7353 10.7665 12.5671 12.6515 12.9614 12.9725 13.4598 13.5179 k = 0.6229 0.2218-0.5091 ( 1753 PWs) bands (ev): -13.5111 -13.5101 -8.6248 -8.6230 -1.9070 -1.8834 -1.3287 -1.2757 -0.9412 -0.9288 -0.7422 -0.5286 -0.3671 -0.3276 -0.0762 0.0179 0.6828 0.7196 1.2473 1.2745 2.3803 2.3945 4.8278 4.8473 6.4345 6.4395 10.7868 10.8192 12.5350 12.6191 12.9883 12.9993 13.4003 13.4582 k = 0.6196 0.2207-0.4928 ( 1749 PWs) bands (ev): -13.5146 -13.5136 -8.6323 -8.6304 -1.9000 -1.8748 -1.3309 -1.2762 -0.9273 -0.9253 -0.7689 -0.5366 -0.3711 -0.3313 -0.0862 0.0106 0.6930 0.7326 1.2661 1.2941 2.3710 2.3853 4.8649 4.8850 6.4316 6.4369 10.8392 10.8729 12.5020 12.5859 13.0160 13.0278 13.3401 13.3969 k = 0.6164 0.2195-0.4764 ( 1747 PWs) bands (ev): -13.5184 -13.5173 -8.6401 -8.6381 -1.8924 -1.8657 -1.3337 -1.2772 -0.9233 -0.9127 -0.7969 -0.5446 -0.3759 -0.3354 -0.0941 0.0043 0.7050 0.7470 1.2852 1.3138 2.3609 2.3752 4.9035 4.9242 6.4290 6.4346 10.8920 10.9269 12.4681 12.5516 13.0436 13.0576 13.2807 13.3345 k = 0.6132 0.2184-0.4601 ( 1745 PWs) bands (ev): -13.5223 -13.5212 -8.6482 -8.6461 -1.8843 -1.8560 -1.3370 -1.2788 -0.9230 -0.8978 -0.8259 -0.5522 -0.3819 -0.3400 -0.0995 -0.0007 0.7186 0.7628 1.3045 1.3337 2.3497 2.3640 4.9435 4.9648 6.4269 6.4327 10.9444 10.9806 12.4332 12.5161 13.0687 13.0888 13.2254 13.2722 k = 0.6099 0.2172-0.4438 ( 1745 PWs) bands (ev): -13.5263 -13.5252 -8.6565 -8.6544 -1.8757 -1.8458 -1.3409 -1.2810 -0.9247 -0.8834 -0.8549 -0.5590 -0.3891 -0.3451 -0.1022 -0.0042 0.7338 0.7798 1.3240 1.3535 2.3373 2.3516 4.9851 5.0068 6.4250 6.4311 10.9957 11.0332 12.3972 12.4790 13.0817 13.1208 13.1849 13.2111 k = 0.6067 0.2161-0.4274 ( 1746 PWs) bands (ev): -13.5306 -13.5294 -8.6651 -8.6629 -1.8666 -1.8351 -1.3456 -1.2837 -0.9286 -0.8902 -0.8631 -0.5648 -0.3972 -0.3506 -0.1021 -0.0062 0.7506 0.7979 1.3436 1.3734 2.3235 2.3378 5.0283 5.0503 6.4236 6.4298 11.0450 11.0836 12.3602 12.4401 13.0623 13.1426 13.1635 13.1809 k = 0.6035 0.2149-0.4111 ( 1746 PWs) bands (ev): -13.5349 -13.5337 -8.6739 -8.6717 -1.8570 -1.8238 -1.3509 -1.2871 -0.9347 -0.9204 -0.8483 -0.5692 -0.4062 -0.3566 -0.0995 -0.0066 0.7687 0.8172 1.3633 1.3932 2.3084 2.3226 5.0729 5.0953 6.4225 6.4289 11.0911 11.1306 12.3220 12.3992 13.0214 13.0935 13.1916 13.2038 k = 0.6002 0.2138-0.3948 ( 1742 PWs) bands (ev): -13.5393 -13.5381 -8.6829 -8.6806 -1.8470 -1.8119 -1.3570 -1.2912 -0.9517 -0.9431 -0.8322 -0.5721 -0.4157 -0.3628 -0.0944 -0.0054 0.7882 0.8376 1.3829 1.4128 2.2917 2.3059 5.1192 5.1419 6.4216 6.4282 11.1328 11.1730 12.2827 12.3561 12.9791 13.0432 13.2270 13.2353 k = 0.5970 0.2126-0.3784 ( 1741 PWs) bands (ev): -13.5438 -13.5426 -8.6920 -8.6897 -1.8367 -1.7997 -1.3638 -1.2960 -0.9833 -0.9535 -0.8159 -0.5735 -0.4256 -0.3694 -0.0873 -0.0027 0.8088 0.8589 1.4024 1.4323 2.2736 2.2877 5.1668 5.1897 6.4211 6.4278 11.1685 11.2092 12.2424 12.3107 12.9422 12.9993 13.2637 13.2700 k = 0.5938 0.2115-0.3621 ( 1742 PWs) bands (ev): -13.5484 -13.5472 -8.7012 -8.6989 -1.8260 -1.7870 -1.3713 -1.3017 -1.0145 -0.9656 -0.7996 -0.5735 -0.4355 -0.3763 -0.0784 0.0012 0.8306 0.8811 1.4218 1.4515 2.2540 2.2680 5.2158 5.2389 6.4208 6.4276 11.1969 11.2374 12.2012 12.2632 12.9136 12.9637 13.3013 13.3065 k = 0.5905 0.2103-0.3458 ( 1738 PWs) bands (ev): -13.5530 -13.5518 -8.7105 -8.7082 -1.8151 -1.7740 -1.3795 -1.3082 -1.0449 -0.9792 -0.7833 -0.5722 -0.4451 -0.3831 -0.0682 0.0064 0.8535 0.9041 1.4410 1.4705 2.2330 2.2470 5.2661 5.2893 6.4209 6.4277 11.2165 11.2563 12.1593 12.2139 12.8951 12.9382 13.3396 13.3442 k = 0.5873 0.2092-0.3294 ( 1738 PWs) bands (ev): -13.5577 -13.5564 -8.7199 -8.7175 -1.8041 -1.7607 -1.3885 -1.3159 -1.0743 -0.9938 -0.7674 -0.5698 -0.4544 -0.3900 -0.0568 0.0127 0.8772 0.9277 1.4601 1.4891 2.2108 2.2246 5.3175 5.3408 6.4211 6.4281 11.2260 11.2643 12.1170 12.1635 12.8877 12.9239 13.3787 13.3829 k = 0.5841 0.2080-0.3131 ( 1738 PWs) bands (ev): -13.5624 -13.5611 -8.7292 -8.7269 -1.7930 -1.7472 -1.3981 -1.3249 -1.1020 -1.0091 -0.7517 -0.5665 -0.4631 -0.3968 -0.0446 0.0198 0.9018 0.9520 1.4788 1.5074 2.1874 2.2010 5.3701 5.3934 6.4216 6.4286 11.2244 11.2607 12.0744 12.1126 12.8918 12.9218 13.4182 13.4221 k = 0.5808 0.2069-0.2968 ( 1738 PWs) bands (ev): -13.5671 -13.5658 -8.7386 -8.7362 -1.7821 -1.7336 -1.4082 -1.3355 -1.1278 -1.0246 -0.7364 -0.5625 -0.4712 -0.4034 -0.0318 0.0278 0.9270 0.9767 1.4971 1.5252 2.1629 2.1764 5.4236 5.4469 6.4222 6.4292 11.2114 11.2451 12.0318 12.0621 12.9075 12.9320 13.4582 13.4619 k = 0.5776 0.2057-0.2804 ( 1742 PWs) bands (ev): -13.5717 -13.5705 -8.7479 -8.7455 -1.7714 -1.7200 -1.4187 -1.3477 -1.1511 -1.0401 -0.7215 -0.5582 -0.4786 -0.4098 -0.0185 0.0363 0.9528 1.0017 1.5151 1.5426 2.1375 2.1509 5.4778 5.5010 6.4231 6.4300 11.1872 11.2181 11.9892 12.0122 12.9341 12.9542 13.4984 13.5020 k = 0.5744 0.2046-0.2641 ( 1740 PWs) bands (ev): -13.5764 -13.5751 -8.7571 -8.7547 -1.7610 -1.7066 -1.4294 -1.3616 -1.1716 -1.0553 -0.7070 -0.5535 -0.4850 -0.4159 -0.0050 0.0454 0.9790 1.0269 1.5326 1.5595 2.1115 2.1247 5.5328 5.5559 6.4241 6.4310 11.1526 11.1806 11.9467 11.9635 12.9708 12.9875 13.5389 13.5423 k = 0.5711 0.2034-0.2478 ( 1736 PWs) bands (ev): -13.5809 -13.5797 -8.7661 -8.7638 -1.7513 -1.6935 -1.4401 -1.3772 -1.1893 -1.0699 -0.6929 -0.5488 -0.4905 -0.4215 0.0087 0.0549 1.0054 1.0521 1.5498 1.5759 2.0850 2.0980 5.5882 5.6111 6.4253 6.4321 11.1088 11.1342 11.9042 11.9161 13.0163 13.0305 13.5795 13.5828 k = 0.5679 0.2023-0.2314 ( 1732 PWs) bands (ev): -13.5854 -13.5842 -8.7750 -8.7728 -1.7423 -1.6810 -1.4506 -1.3942 -1.2039 -1.0838 -0.6793 -0.5443 -0.4948 -0.4268 0.0223 0.0646 1.0319 1.0773 1.5665 1.5918 2.0581 2.0709 5.6440 5.6666 6.4266 6.4334 11.0573 11.0804 11.8619 11.8698 13.0692 13.0817 13.6199 13.6232 k = 0.5647 0.2011-0.2151 ( 1726 PWs) bands (ev): -13.5898 -13.5886 -8.7838 -8.7816 -1.7343 -1.6693 -1.4605 -1.4119 -1.2159 -1.0968 -0.6662 -0.5403 -0.4978 -0.4316 0.0358 0.0745 1.0582 1.1020 1.5826 1.6071 2.0311 2.0437 5.6998 5.7221 6.4280 6.4346 10.9997 11.0209 11.8197 11.8247 13.1283 13.1397 13.6602 13.6634 k = 0.5614 0.2000-0.1988 ( 1732 PWs) bands (ev): -13.5941 -13.5930 -8.7923 -8.7901 -1.7277 -1.6589 -1.4698 -1.4299 -1.2255 -1.1090 -0.6538 -0.5373 -0.4993 -0.4362 0.0490 0.0843 1.0842 1.1263 1.5980 1.6215 2.0043 2.0167 5.7554 5.7774 6.4294 6.4359 10.9375 10.9571 11.7777 11.7806 13.1921 13.2028 13.7001 13.7032 k = 0.5582 0.1988-0.1824 ( 1730 PWs) bands (ev): -13.5983 -13.5972 -8.8006 -8.7985 -1.7225 -1.6501 -1.4780 -1.4472 -1.2329 -1.1201 -0.6419 -0.5354 -0.4991 -0.4402 0.0619 0.0941 1.1096 1.1498 1.6129 1.6354 1.9779 1.9902 5.8109 5.8324 6.4309 6.4373 10.8721 10.8903 11.7361 11.7375 13.2596 13.2698 13.7395 13.7425 k = 0.5550 0.1977-0.1661 ( 1722 PWs) bands (ev): -13.6024 -13.6013 -8.8086 -8.8065 -1.7190 -1.6434 -1.4848 -1.4631 -1.2383 -1.1301 -0.6306 -0.5347 -0.4973 -0.4437 0.0746 0.1038 1.1344 1.1725 1.6273 1.6488 1.9523 1.9643 5.8658 5.8868 6.4325 6.4387 10.8047 10.8219 11.6950 11.6955 13.3296 13.3396 13.7783 13.7811 k = 0.5517 0.1965-0.1498 ( 1717 PWs) bands (ev): -13.6062 -13.6052 -8.8163 -8.8143 -1.7173 -1.6397 -1.4901 -1.4764 -1.2422 -1.1391 -0.6200 -0.5348 -0.4944 -0.4469 0.0867 0.1133 1.1581 1.1941 1.6409 1.6613 1.9275 1.9394 5.9199 5.9404 6.4342 6.4402 10.7364 10.7527 11.6546 11.6547 13.4011 13.4109 13.8162 13.8190 k = 0.5485 0.1954-0.1334 ( 1715 PWs) bands (ev): -13.6100 -13.6090 -8.8236 -8.8218 -1.7173 -1.6393 -1.4939 -1.4868 -1.2445 -1.1470 -0.6100 -0.5353 -0.4907 -0.4495 0.0983 0.1225 1.1806 1.2142 1.6538 1.6731 1.9040 1.9156 5.9730 5.9929 6.4358 6.4416 10.6681 10.6836 11.6149 11.6153 13.4731 13.4828 13.8532 13.8558 k = 0.5453 0.1942-0.1171 ( 1713 PWs) bands (ev): -13.6135 -13.6126 -8.8306 -8.8289 -1.7191 -1.6426 -1.4962 -1.4938 -1.2455 -1.1539 -0.6007 -0.5361 -0.4866 -0.4518 0.1094 0.1313 1.2016 1.2328 1.6660 1.6840 1.8819 1.8932 6.0249 6.0440 6.4375 6.4430 10.6008 10.6155 11.5765 11.5770 13.5449 13.5545 13.8890 13.8915 k = 0.5420 0.1931-0.1008 ( 1712 PWs) bands (ev): -13.6169 -13.6160 -8.8373 -8.8356 -1.7222 -1.6493 -1.4976 -1.4973 -1.2452 -1.1598 -0.5921 -0.5369 -0.4825 -0.4535 0.1198 0.1397 1.2210 1.2497 1.6774 1.6942 1.8615 1.8726 6.0751 6.0935 6.4391 6.4445 10.5349 10.5490 11.5395 11.5402 13.6158 13.6252 13.9235 13.9258 k = 0.5388 0.1919-0.0845 ( 1712 PWs) bands (ev): -13.6200 -13.6192 -8.8435 -8.8420 -1.7264 -1.6585 -1.4989 -1.4974 -1.2439 -1.1648 -0.5843 -0.5376 -0.4783 -0.4549 0.1297 0.1476 1.2386 1.2646 1.6879 1.7034 1.8431 1.8539 6.1235 6.1411 6.4407 6.4458 10.4714 10.4847 11.5043 11.5049 13.6849 13.6941 13.9564 13.9586 k = 0.5356 0.1908-0.0681 ( 1710 PWs) bands (ev): -13.6230 -13.6222 -8.8493 -8.8479 -1.7314 -1.6693 -1.4985 -1.4967 -1.2415 -1.1690 -0.5772 -0.5381 -0.4744 -0.4558 0.1389 0.1550 1.2541 1.2776 1.6977 1.7117 1.8270 1.8373 6.1698 6.1864 6.4423 6.4472 10.4106 10.4232 11.4710 11.4715 13.7517 13.7607 13.9877 13.9897 k = 0.5323 0.1896-0.0518 ( 1709 PWs) bands (ev): -13.6257 -13.6250 -8.8547 -8.8534 -1.7368 -1.6810 -1.4971 -1.4955 -1.2382 -1.1724 -0.5708 -0.5386 -0.4706 -0.4564 0.1474 0.1618 1.2676 1.2884 1.7066 1.7191 1.8132 1.8229 6.2135 6.2292 6.4439 6.4484 10.3532 10.3650 11.4397 11.4402 13.8155 13.8241 14.0172 14.0189 k = 0.5291 0.1885-0.0355 ( 1705 PWs) bands (ev): -13.6282 -13.6275 -8.8596 -8.8584 -1.7423 -1.6928 -1.4953 -1.4941 -1.2343 -1.1751 -0.5651 -0.5389 -0.4671 -0.4566 0.1553 0.1680 1.2789 1.2972 1.7146 1.7255 1.8018 1.8108 6.2545 6.2690 6.4455 6.4497 10.2996 10.3105 11.4107 11.4111 13.8757 13.8838 14.0446 14.0461 k = 0.5259 0.1873-0.0191 ( 1701 PWs) bands (ev): -13.6304 -13.6299 -8.8640 -8.8630 -1.7475 -1.7042 -1.4934 -1.4926 -1.2298 -1.1774 -0.5601 -0.5391 -0.4640 -0.4565 0.1625 0.1737 1.2882 1.3040 1.7215 1.7306 1.7931 1.8009 6.2922 6.3056 6.4470 6.4509 10.2503 10.2603 11.3842 11.3845 13.9317 13.9391 14.0698 14.0710 k = 0.5226 0.1862-0.0028 ( 1699 PWs) bands (ev): -13.6324 -13.6319 -8.8680 -8.8670 -1.7524 -1.7151 -1.4917 -1.4911 -1.2250 -1.1793 -0.5558 -0.5392 -0.4612 -0.4561 0.1690 0.1787 1.2956 1.3090 1.7274 1.7346 1.7868 1.7933 6.3265 6.3386 6.4485 6.4522 10.2058 10.2148 11.3604 11.3606 13.9828 13.9895 14.0926 14.0935 k = 0.5194 0.1850 0.0135 ( 1693 PWs) bands (ev): -13.6342 -13.6337 -8.8714 -8.8706 -1.7566 -1.7251 -1.4901 -1.4898 -1.2199 -1.1810 -0.5522 -0.5393 -0.4587 -0.4555 0.1746 0.1829 1.3013 1.3124 1.7323 1.7375 1.7828 1.7878 6.3569 6.3677 6.4502 6.4535 10.1665 10.1744 11.3393 11.3395 14.0287 14.0345 14.1130 14.1135 k = 0.5162 0.1838 0.0299 ( 1699 PWs) bands (ev): -13.6356 -13.6353 -8.8743 -8.8736 -1.7601 -1.7342 -1.4888 -1.4887 -1.2150 -1.1827 -0.5492 -0.5394 -0.4568 -0.4549 0.1795 0.1864 1.3055 1.3145 1.7360 1.7393 1.7804 1.7839 6.3829 6.3922 6.4519 6.4548 10.1326 10.1393 11.3212 11.3213 14.0684 14.0731 14.1307 14.1308 k = 0.5129 0.1827 0.0462 ( 1695 PWs) bands (ev): -13.6368 -13.6365 -8.8767 -8.8762 -1.7626 -1.7422 -1.4878 -1.4877 -1.2101 -1.1843 -0.5467 -0.5395 -0.4550 -0.4541 0.1837 0.1892 1.3086 1.3156 1.7388 1.7406 1.7794 1.7816 6.4042 6.4117 6.4543 6.4567 10.1046 10.1101 11.3062 11.3063 14.1015 14.1049 14.1455 14.1459 k = 0.5097 0.1815 0.0625 ( 1692 PWs) bands (ev): -13.6378 -13.6375 -8.8786 -8.8781 -1.7641 -1.7490 -1.4870 -1.4869 -1.2054 -1.1862 -0.5447 -0.5397 -0.4538 -0.4534 0.1872 0.1913 1.3108 1.3159 1.7407 1.7415 1.7791 1.7803 6.4202 6.4256 6.4576 6.4592 10.0827 10.0868 11.2944 11.2945 14.1273 14.1293 14.1577 14.1586 k = 0.5065 0.1804 0.0789 ( 1690 PWs) bands (ev): -13.6384 -13.6383 -8.8799 -8.8796 -1.7646 -1.7546 -1.4864 -1.4864 -1.2011 -1.1883 -0.5431 -0.5400 -0.4530 -0.4528 0.1899 0.1926 1.3124 1.3158 1.7417 1.7420 1.7791 1.7796 6.4306 6.4339 6.4616 6.4623 10.0670 10.0699 11.2860 11.2860 14.1451 14.1458 14.1675 14.1688 k = 0.5032 0.1792 0.0952 ( 1690 PWs) bands (ev): -13.6388 -13.6387 -8.8806 -8.8805 -1.7639 -1.7589 -1.4861 -1.4861 -1.1972 -1.1909 -0.5419 -0.5404 -0.4525 -0.4525 0.1917 0.1931 1.3136 1.3153 1.7423 1.7423 1.7792 1.7794 6.4362 6.4376 6.4650 6.4651 10.0579 10.0593 11.2809 11.2809 14.1549 14.1550 14.1746 14.1756 k = 0.5000 0.1781 0.1115 ( 1682 PWs) bands (ev): -13.6389 -13.6389 -8.8808 -8.8808 -1.7620 -1.7620 -1.4859 -1.4859 -1.1937 -1.1937 -0.5410 -0.5410 -0.4523 -0.4523 0.1928 0.1928 1.3146 1.3146 1.7426 1.7426 1.7794 1.7794 6.4384 6.4384 6.4665 6.4665 10.0553 10.0553 11.2792 11.2792 14.1579 14.1579 14.1777 14.1777 k = 0.5000-0.6128-0.3838 ( 1754 PWs) bands (ev): -13.4849 -13.4849 -8.5798 -8.5798 -1.7038 -1.7038 -1.4939 -1.4939 -1.1947 -1.1947 -0.5476 -0.5476 -0.3190 -0.3190 0.0332 0.0332 0.2794 0.2794 1.5833 1.5833 3.3668 3.3668 4.6020 4.6020 5.6121 5.6121 9.0681 9.0681 12.3595 12.3595 14.3940 14.3940 14.5790 14.5790 k = 0.5132-0.6051-0.3790 ( 1753 PWs) bands (ev): -13.4849 -13.4849 -8.5798 -8.5798 -1.7051 -1.7038 -1.4940 -1.4927 -1.1958 -1.1930 -0.5503 -0.5454 -0.3203 -0.3177 0.0320 0.0377 0.2776 0.2809 1.5817 1.5821 3.3621 3.3637 4.6027 4.6043 5.6143 5.6144 9.0703 9.0714 12.3613 12.3631 14.3885 14.3888 14.5756 14.5759 k = 0.5264-0.5974-0.3741 ( 1754 PWs) bands (ev): -13.4850 -13.4850 -8.5798 -8.5798 -1.7079 -1.7055 -1.4931 -1.4904 -1.1963 -1.1907 -0.5530 -0.5434 -0.3217 -0.3166 0.0340 0.0456 0.2754 0.2823 1.5774 1.5781 3.3496 3.3528 4.6061 4.6094 5.6211 5.6213 9.0780 9.0801 12.3686 12.3722 14.3725 14.3731 14.5658 14.5663 k = 0.5396-0.5896-0.3693 ( 1751 PWs) bands (ev): -13.4850 -13.4850 -8.5798 -8.5797 -1.7122 -1.7086 -1.4912 -1.4870 -1.1962 -1.1878 -0.5558 -0.5415 -0.3230 -0.3154 0.0389 0.0568 0.2728 0.2837 1.5705 1.5715 3.3299 3.3346 4.6121 4.6169 5.6324 5.6327 9.0911 9.0943 12.3813 12.3867 14.3463 14.3471 14.5495 14.5502 k = 0.5529-0.5819-0.3644 ( 1750 PWs) bands (ev): -13.4851 -13.4850 -8.5797 -8.5796 -1.7179 -1.7132 -1.4882 -1.4826 -1.1953 -1.1842 -0.5587 -0.5399 -0.3243 -0.3145 0.0463 0.0711 0.2698 0.2853 1.5610 1.5624 3.3034 3.3095 4.6200 4.6263 5.6482 5.6486 9.1098 9.1141 12.3993 12.4067 14.3103 14.3113 14.5269 14.5276 k = 0.5661-0.5741-0.3596 ( 1750 PWs) bands (ev): -13.4852 -13.4851 -8.5796 -8.5795 -1.7249 -1.7192 -1.4843 -1.4771 -1.1938 -1.1800 -0.5616 -0.5385 -0.3255 -0.3137 0.0558 0.0885 0.2664 0.2874 1.5490 1.5507 3.2710 3.2784 4.6293 4.6368 5.6682 5.6687 9.1339 9.1393 12.4225 12.4318 14.2652 14.2664 14.4979 14.4983 k = 0.5793-0.5664-0.3547 ( 1745 PWs) bands (ev): -13.4853 -13.4852 -8.5795 -8.5793 -1.7331 -1.7265 -1.4795 -1.4707 -1.1914 -1.1751 -0.5642 -0.5372 -0.3267 -0.3131 0.0668 0.1085 0.2627 0.2904 1.5347 1.5368 3.2336 3.2420 4.6392 4.6478 5.6924 5.6930 9.1636 9.1700 12.4506 12.4621 14.2117 14.2130 14.4625 14.4626 k = 0.5925-0.5586-0.3499 ( 1741 PWs) bands (ev): -13.4854 -13.4852 -8.5794 -8.5791 -1.7424 -1.7350 -1.4737 -1.4633 -1.1882 -1.1694 -0.5669 -0.5360 -0.3279 -0.3125 0.0785 0.1308 0.2588 0.2948 1.5182 1.5206 3.1918 3.2013 4.6491 4.6586 5.7206 5.7213 9.1988 9.2062 12.4834 12.4972 14.1507 14.1520 14.4201 14.4212 k = 0.6057-0.5509-0.3450 ( 1742 PWs) bands (ev): -13.4855 -13.4854 -8.5792 -8.5790 -1.7528 -1.7447 -1.4672 -1.4551 -1.1842 -1.1630 -0.5694 -0.5348 -0.3289 -0.3121 0.0899 0.1545 0.2551 0.3012 1.4995 1.5024 3.1466 3.1569 4.6583 4.6686 5.7525 5.7533 9.2394 9.2478 12.5206 12.5370 14.0829 14.0841 14.3716 14.3740 k = 0.6189-0.5432-0.3402 ( 1745 PWs) bands (ev): -13.4856 -13.4855 -8.5790 -8.5788 -1.7640 -1.7554 -1.4600 -1.4461 -1.1794 -1.1558 -0.5717 -0.5336 -0.3299 -0.3118 0.1001 0.1782 0.2529 0.3104 1.4790 1.4822 3.0988 3.1098 4.6662 4.6772 5.7879 5.7887 9.2854 9.2948 12.5619 12.5812 14.0094 14.0104 14.3173 14.3214 k = 0.6321-0.5354-0.3353 ( 1749 PWs) bands (ev): -13.4858 -13.4857 -8.5789 -8.5785 -1.7760 -1.7670 -1.4520 -1.4364 -1.1736 -1.1478 -0.5738 -0.5323 -0.3309 -0.3115 0.1081 0.1977 0.2561 0.3229 1.4567 1.4603 3.0490 3.0607 4.6725 4.6840 5.8265 5.8275 9.3368 9.3472 12.6068 12.6294 13.9308 13.9317 14.2577 14.2640 k = 0.6453-0.5277-0.3305 ( 1753 PWs) bands (ev): -13.4860 -13.4858 -8.5787 -8.5783 -1.7888 -1.7793 -1.4435 -1.4261 -1.1669 -1.1390 -0.5756 -0.5307 -0.3318 -0.3112 0.1134 0.2065 0.2710 0.3391 1.4329 1.4370 2.9979 3.0102 4.6767 4.6886 5.8681 5.8691 9.3935 9.4048 12.6548 12.6811 13.8483 13.8488 14.1935 14.2025 k = 0.6586-0.5199-0.3256 ( 1757 PWs) bands (ev): -13.4862 -13.4860 -8.5784 -8.5781 -1.8020 -1.7922 -1.4344 -1.4153 -1.1592 -1.1293 -0.5771 -0.5289 -0.3327 -0.3109 0.1157 0.2051 0.2968 0.3591 1.4078 1.4124 2.9463 2.9591 4.6786 4.6908 5.9124 5.9135 9.4552 9.4675 12.7052 12.7359 13.7625 13.7627 14.1254 14.1379 k = 0.6718-0.5122-0.3208 ( 1754 PWs) bands (ev): -13.4864 -13.4862 -8.5782 -8.5778 -1.8155 -1.8055 -1.4249 -1.4040 -1.1504 -1.1188 -0.5783 -0.5268 -0.3335 -0.3106 0.1150 0.1989 0.3278 0.3825 1.3817 1.3868 2.8946 2.9078 4.6780 4.6905 5.9591 5.9602 9.5219 9.5351 12.7569 12.7929 13.6740 13.6745 14.0547 14.0714 k = 0.6850-0.5044-0.3159 ( 1750 PWs) bands (ev): -13.4866 -13.4864 -8.5779 -8.5775 -1.8292 -1.8190 -1.4149 -1.3925 -1.1407 -1.1074 -0.5791 -0.5244 -0.3344 -0.3104 0.1117 0.1904 0.3614 0.4087 1.3547 1.3603 2.8434 2.8571 4.6749 4.6875 6.0078 6.0090 9.5933 9.6074 12.8087 12.8511 13.5835 13.5848 13.9827 14.0045 k = 0.6982-0.4967-0.3111 ( 1752 PWs) bands (ev): -13.4869 -13.4867 -8.5777 -8.5772 -1.8430 -1.8328 -1.4048 -1.3808 -1.1301 -1.0954 -0.5798 -0.5217 -0.3353 -0.3101 0.1059 0.1804 0.3962 0.4371 1.3270 1.3331 2.7932 2.8072 4.6692 4.6819 6.0582 6.0595 9.6692 9.6842 12.8587 12.9088 13.4919 13.4945 13.9112 13.9392 k = 0.7114-0.4890-0.3062 ( 1754 PWs) bands (ev): -13.4872 -13.4869 -8.5774 -8.5769 -1.8569 -1.8465 -1.3945 -1.3691 -1.1186 -1.0827 -0.5802 -0.5186 -0.3362 -0.3098 0.0981 0.1692 0.4318 0.4670 1.2988 1.3055 2.7443 2.7586 4.6609 4.6737 6.1101 6.1114 9.7493 9.7652 12.9040 12.9638 13.4000 13.4043 13.8430 13.8783 k = 0.7246-0.4812-0.3014 ( 1756 PWs) bands (ev): -13.4875 -13.4872 -8.5772 -8.5766 -1.8707 -1.8602 -1.3841 -1.3574 -1.1063 -1.0693 -0.5803 -0.5151 -0.3371 -0.3095 0.0886 0.1571 0.4677 0.4981 1.2704 1.2777 2.6973 2.7118 4.6502 4.6630 6.1629 6.1643 9.8332 9.8501 12.9406 13.0120 13.3083 13.3154 13.7821 13.8257 k = 0.7378-0.4735-0.2965 ( 1754 PWs) bands (ev): -13.4878 -13.4875 -8.5769 -8.5763 -1.8841 -1.8737 -1.3737 -1.3459 -1.0931 -1.0554 -0.5800 -0.5112 -0.3381 -0.3091 0.0776 0.1441 0.5037 0.5297 1.2419 1.2499 2.6526 2.6672 4.6372 4.6499 6.2165 6.2180 9.9207 9.9384 12.9629 13.0476 13.2177 13.2293 13.7345 13.7864 k = 0.7510-0.4657-0.2917 ( 1750 PWs) bands (ev): -13.4881 -13.4878 -8.5766 -8.5760 -1.8972 -1.8868 -1.3633 -1.3346 -1.0792 -1.0410 -0.5796 -0.5069 -0.3391 -0.3087 0.0654 0.1304 0.5394 0.5615 1.2135 1.2222 2.6104 2.6251 4.6221 4.6348 6.2703 6.2719 10.0113 10.0299 12.9643 13.0624 13.1296 13.1481 13.7077 13.7656 k = 0.7643-0.4580-0.2868 ( 1751 PWs) bands (ev): -13.4884 -13.4881 -8.5763 -8.5757 -1.9100 -1.8995 -1.3532 -1.3237 -1.0648 -1.0264 -0.5790 -0.5023 -0.3401 -0.3083 0.0519 0.1159 0.5746 0.5931 1.1855 1.1949 2.5712 2.5859 4.6052 4.6177 6.3241 6.3257 10.1047 10.1241 12.9390 13.0323 13.0627 13.0744 13.7079 13.7671 k = 0.7775-0.4502-0.2820 ( 1747 PWs) bands (ev): -13.4887 -13.4884 -8.5760 -8.5754 -1.9221 -1.9116 -1.3432 -1.3131 -1.0499 -1.0116 -0.5781 -0.4973 -0.3411 -0.3078 0.0376 0.1009 0.6090 0.6241 1.1579 1.1681 2.5354 2.5500 4.5867 4.5990 6.3774 6.3791 10.2002 10.2205 12.8885 12.9518 13.0075 13.0230 13.7355 13.7911 k = 0.7907-0.4425-0.2771 ( 1746 PWs) bands (ev): -13.4891 -13.4888 -8.5757 -8.5751 -1.9337 -1.9232 -1.3335 -1.3031 -1.0348 -0.9968 -0.5771 -0.4921 -0.3422 -0.3073 0.0225 0.0853 0.6423 0.6541 1.1311 1.1421 2.5031 2.5175 4.5668 4.5789 6.4298 6.4316 10.2974 10.3186 12.8226 12.8703 12.9413 12.9668 13.7855 13.8346 k = 0.8039-0.4348-0.2723 ( 1740 PWs) bands (ev): -13.4895 -13.4891 -8.5755 -8.5748 -1.9446 -1.9341 -1.3242 -1.2936 -1.0196 -0.9822 -0.5759 -0.4866 -0.3431 -0.3067 0.0068 0.0693 0.6743 0.6828 1.1051 1.1170 2.4746 2.4887 4.5458 4.5578 6.4810 6.4828 10.3956 10.4176 12.7510 12.7917 12.8714 12.8974 13.8514 13.8930 Writing output data file CdCN2.save init_run : 2.34s CPU 12.27s WALL ( 1 calls) electrons : 245.63s CPU 250.46s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.32s CPU 2.04s WALL ( 1 calls) Called by electrons: c_bands : 245.61s CPU 249.87s WALL ( 1 calls) v_of_rho : 0.11s CPU 0.98s WALL ( 1 calls) v_h : 0.03s CPU 0.12s WALL ( 1 calls) v_xc : 0.08s CPU 0.62s WALL ( 1 calls) newd : 0.49s CPU 0.55s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.04s WALL ( 357 calls) cegterg : 213.32s CPU 214.82s WALL ( 509 calls) Called by sum_band: Called by *egterg: h_psi : 122.96s CPU 127.04s WALL ( 8149 calls) s_psi : 5.87s CPU 6.48s WALL ( 8149 calls) g_psi : 0.12s CPU 0.18s WALL ( 7283 calls) cdiaghg : 66.42s CPU 65.46s WALL ( 7640 calls) cegterg:over : 16.02s CPU 13.49s WALL ( 7283 calls) cegterg:upda : 1.00s CPU 2.44s WALL ( 7283 calls) cegterg:last : 1.31s CPU 1.87s WALL ( 1588 calls) Called by h_psi: h_psi:vloc : 108.76s CPU 112.81s WALL ( 8149 calls) h_psi:vnl : 14.16s CPU 14.02s WALL ( 8149 calls) add_vuspsi : 2.23s CPU 4.84s WALL ( 8149 calls) General routines calbec : 11.91s CPU 9.03s WALL ( 8149 calls) fft : 0.23s CPU 1.22s WALL ( 19 calls) ffts : 0.01s CPU 0.56s WALL ( 4 calls) fftw : 97.40s CPU 99.44s WALL ( 716380 calls) interpolate : 0.03s CPU 0.62s WALL ( 4 calls) davcio : 0.03s CPU 1.54s WALL ( 714 calls) Parallel routines fft_scatter : 58.95s CPU 60.13s WALL ( 716403 calls) PWSCF : 4m39.47s CPU 6m17.50s WALL This run was terminated on: 16:51:53 9Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=