Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 14:26:56 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./BeH2.save/ file Be.rel-pbe-s-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 268 99 27 11547 2611 382 Max 269 100 28 11550 2637 386 Sum 9655 3583 993 415725 94307 13815 bravais-lattice index = 14 lattice parameter (alat) = 11.8002 a.u. unit-cell volume = 957.5970 (a.u.)^3 number of atoms/cell = 18 number of atomic types = 2 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 81.0000 Ry charge density cutoff = 871.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.800216 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.780114 celldm(5)= -0.250942 celldm(6)= 0.031056 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.031056 0.999518 0.000000 ) a(3) = ( -0.250942 -0.772693 0.583072 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.031071 0.389204 ) b(2) = ( 0.000000 1.000483 1.325849 ) b(3) = ( 0.000000 0.000000 1.715053 ) PseudoPot. # 1 for H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Be read from file: /users/gautes/Pseudo/Be.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 56f92c253d4d86db330921f37562b9e7 Pseudo is Ultrasoft, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1041 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 H 1.00 1.00790 H( 1.00) Be 4.00 9.01220 Be( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 342 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029240 k( 2) = ( -0.0064535 0.0066572 0.0171128), wk = 0.0029240 k( 3) = ( -0.0129071 0.0133143 0.0342256), wk = 0.0029240 k( 4) = ( -0.0193606 0.0199715 0.0513384), wk = 0.0029240 k( 5) = ( -0.0258141 0.0266286 0.0684512), wk = 0.0029240 k( 6) = ( -0.0322676 0.0332858 0.0855641), wk = 0.0029240 k( 7) = ( -0.0387212 0.0399429 0.1026769), wk = 0.0029240 k( 8) = ( -0.0451747 0.0466001 0.1197897), wk = 0.0029240 k( 9) = ( -0.0516282 0.0532573 0.1369025), wk = 0.0029240 k( 10) = ( -0.0580818 0.0599144 0.1540153), wk = 0.0029240 k( 11) = ( -0.0645353 0.0665716 0.1711281), wk = 0.0029240 k( 12) = ( -0.0709888 0.0732287 0.1882409), wk = 0.0029240 k( 13) = ( -0.0774423 0.0798859 0.2053538), wk = 0.0029240 k( 14) = ( -0.0838959 0.0865431 0.2224666), wk = 0.0029240 k( 15) = ( -0.0903494 0.0932002 0.2395794), wk = 0.0029240 k( 16) = ( -0.0968029 0.0998574 0.2566922), wk = 0.0029240 k( 17) = ( -0.1032564 0.1065145 0.2738050), wk = 0.0029240 k( 18) = ( -0.1097100 0.1131717 0.2909178), wk = 0.0029240 k( 19) = ( -0.1161635 0.1198288 0.3080306), wk = 0.0029240 k( 20) = ( -0.1226170 0.1264860 0.3251435), wk = 0.0029240 k( 21) = ( -0.1290706 0.1331431 0.3422563), wk = 0.0029240 k( 22) = ( -0.1355241 0.1398003 0.3593691), wk = 0.0029240 k( 23) = ( -0.1419776 0.1464575 0.3764819), wk = 0.0029240 k( 24) = ( -0.1484312 0.1531146 0.3935947), wk = 0.0029240 k( 25) = ( -0.1548847 0.1597718 0.4107075), wk = 0.0029240 k( 26) = ( -0.1613382 0.1664289 0.4278203), wk = 0.0029240 k( 27) = ( -0.1677917 0.1730861 0.4449331), wk = 0.0029240 k( 28) = ( -0.1742453 0.1797433 0.4620460), wk = 0.0029240 k( 29) = ( -0.1806988 0.1864004 0.4791588), wk = 0.0029240 k( 30) = ( -0.1871523 0.1930576 0.4962716), wk = 0.0029240 k( 31) = ( -0.1936058 0.1997147 0.5133844), wk = 0.0029240 k( 32) = ( -0.2000594 0.2063719 0.5304972), wk = 0.0029240 k( 33) = ( -0.2065129 0.2130290 0.5476100), wk = 0.0029240 k( 34) = ( -0.2129664 0.2196862 0.5647228), wk = 0.0029240 k( 35) = ( -0.2194200 0.2263434 0.5818357), wk = 0.0029240 k( 36) = ( -0.2258735 0.2330005 0.5989485), wk = 0.0029240 k( 37) = ( -0.2323270 0.2396577 0.6160613), wk = 0.0029240 k( 38) = ( -0.2387805 0.2463148 0.6331741), wk = 0.0029240 k( 39) = ( -0.2452341 0.2529720 0.6502869), wk = 0.0029240 k( 40) = ( -0.2516876 0.2596291 0.6673997), wk = 0.0029240 k( 41) = ( -0.2581411 0.2662863 0.6845125), wk = 0.0029240 k( 42) = ( -0.2645947 0.2729435 0.7016254), wk = 0.0029240 k( 43) = ( -0.2710482 0.2796006 0.7187382), wk = 0.0029240 k( 44) = ( -0.2775017 0.2862578 0.7358510), wk = 0.0029240 k( 45) = ( -0.2839552 0.2929149 0.7529638), wk = 0.0029240 k( 46) = ( -0.2904088 0.2995721 0.7700766), wk = 0.0029240 k( 47) = ( -0.2968623 0.3062293 0.7871894), wk = 0.0029240 k( 48) = ( -0.3033158 0.3128864 0.8043022), wk = 0.0029240 k( 49) = ( -0.3033158 0.3128864 0.8043022), wk = 0.0029240 k( 50) = ( -0.2919198 0.3011308 0.8131730), wk = 0.0029240 k( 51) = ( -0.2805239 0.2893753 0.8220437), wk = 0.0029240 k( 52) = ( -0.2691279 0.2776197 0.8309144), wk = 0.0029240 k( 53) = ( -0.2577319 0.2658641 0.8397851), wk = 0.0029240 k( 54) = ( -0.2463359 0.2541086 0.8486558), wk = 0.0029240 k( 55) = ( -0.2349399 0.2423530 0.8575266), wk = 0.0029240 k( 56) = ( -0.2349399 0.2423530 0.8575266), wk = 0.0029240 k( 57) = ( -0.2211199 0.2280969 0.8575266), wk = 0.0029240 k( 58) = ( -0.2072999 0.2138409 0.8575266), wk = 0.0029240 k( 59) = ( -0.1934799 0.1995848 0.8575266), wk = 0.0029240 k( 60) = ( -0.1796599 0.1853288 0.8575266), wk = 0.0029240 k( 61) = ( -0.1658399 0.1710727 0.8575266), wk = 0.0029240 k( 62) = ( -0.1520199 0.1568166 0.8575266), wk = 0.0029240 k( 63) = ( -0.1381999 0.1425606 0.8575266), wk = 0.0029240 k( 64) = ( -0.1243799 0.1283045 0.8575266), wk = 0.0029240 k( 65) = ( -0.1105600 0.1140485 0.8575266), wk = 0.0029240 k( 66) = ( -0.0967400 0.0997924 0.8575266), wk = 0.0029240 k( 67) = ( -0.0829200 0.0855363 0.8575266), wk = 0.0029240 k( 68) = ( -0.0691000 0.0712803 0.8575266), wk = 0.0029240 k( 69) = ( -0.0552800 0.0570242 0.8575266), wk = 0.0029240 k( 70) = ( -0.0414600 0.0427682 0.8575266), wk = 0.0029240 k( 71) = ( -0.0276400 0.0285121 0.8575266), wk = 0.0029240 k( 72) = ( -0.0138200 0.0142561 0.8575266), wk = 0.0029240 k( 73) = ( 0.0000000 0.0000000 0.8575266), wk = 0.0029240 k( 74) = ( 0.0000000 0.0000000 0.8575266), wk = 0.0029240 k( 75) = ( 0.0138889 0.0134641 0.8575266), wk = 0.0029240 k( 76) = ( 0.0277778 0.0269281 0.8575266), wk = 0.0029240 k( 77) = ( 0.0416667 0.0403922 0.8575266), wk = 0.0029240 k( 78) = ( 0.0555556 0.0538562 0.8575266), wk = 0.0029240 k( 79) = ( 0.0694444 0.0673203 0.8575266), wk = 0.0029240 k( 80) = ( 0.0833333 0.0807843 0.8575266), wk = 0.0029240 k( 81) = ( 0.0972222 0.0942484 0.8575266), wk = 0.0029240 k( 82) = ( 0.1111111 0.1077124 0.8575266), wk = 0.0029240 k( 83) = ( 0.1250000 0.1211765 0.8575266), wk = 0.0029240 k( 84) = ( 0.1388889 0.1346406 0.8575266), wk = 0.0029240 k( 85) = ( 0.1527778 0.1481046 0.8575266), wk = 0.0029240 k( 86) = ( 0.1666667 0.1615687 0.8575266), wk = 0.0029240 k( 87) = ( 0.1805556 0.1750327 0.8575266), wk = 0.0029240 k( 88) = ( 0.1944444 0.1884968 0.8575266), wk = 0.0029240 k( 89) = ( 0.2083333 0.2019608 0.8575266), wk = 0.0029240 k( 90) = ( 0.2222222 0.2154249 0.8575266), wk = 0.0029240 k( 91) = ( 0.2361111 0.2288889 0.8575266), wk = 0.0029240 k( 92) = ( 0.2500000 0.2423530 0.8575266), wk = 0.0029240 k( 93) = ( 0.2500000 0.2423530 0.8575266), wk = 0.0029240 k( 94) = ( 0.2380952 0.2546334 0.8482598), wk = 0.0029240 k( 95) = ( 0.2261905 0.2669138 0.8389931), wk = 0.0029240 k( 96) = ( 0.2142857 0.2791942 0.8297263), wk = 0.0029240 k( 97) = ( 0.2023810 0.2914746 0.8204595), wk = 0.0029240 k( 98) = ( 0.1904762 0.3037550 0.8111928), wk = 0.0029240 k( 99) = ( 0.1785714 0.3160354 0.8019260), wk = 0.0029240 k( 100) = ( 0.1666667 0.3283158 0.7926593), wk = 0.0029240 k( 101) = ( 0.1547619 0.3405962 0.7833925), wk = 0.0029240 k( 102) = ( 0.1428571 0.3528765 0.7741258), wk = 0.0029240 k( 103) = ( 0.1309524 0.3651569 0.7648590), wk = 0.0029240 k( 104) = ( 0.1190476 0.3774373 0.7555923), wk = 0.0029240 k( 105) = ( 0.1071429 0.3897177 0.7463255), wk = 0.0029240 k( 106) = ( 0.0952381 0.4019981 0.7370588), wk = 0.0029240 k( 107) = ( 0.0833333 0.4142785 0.7277920), wk = 0.0029240 k( 108) = ( 0.0714286 0.4265589 0.7185252), wk = 0.0029240 k( 109) = ( 0.0595238 0.4388393 0.7092585), wk = 0.0029240 k( 110) = ( 0.0476191 0.4511197 0.6999917), wk = 0.0029240 k( 111) = ( 0.0357143 0.4634001 0.6907250), wk = 0.0029240 k( 112) = ( 0.0238095 0.4756805 0.6814582), wk = 0.0029240 k( 113) = ( 0.0119048 0.4879609 0.6721915), wk = 0.0029240 k( 114) = ( 0.0000000 0.5002413 0.6629247), wk = 0.0029240 k( 115) = ( 0.0000000 0.5002413 0.6629247), wk = 0.0029240 k( 116) = ( 0.0151658 0.5096090 0.6558558), wk = 0.0029240 k( 117) = ( 0.0303316 0.5189768 0.6487870), wk = 0.0029240 k( 118) = ( 0.0454974 0.5283445 0.6417181), wk = 0.0029240 k( 119) = ( 0.0606632 0.5377123 0.6346492), wk = 0.0029240 k( 120) = ( 0.0758290 0.5470800 0.6275803), wk = 0.0029240 k( 121) = ( 0.0909947 0.5564477 0.6205115), wk = 0.0029240 k( 122) = ( 0.1061605 0.5658155 0.6134426), wk = 0.0029240 k( 123) = ( 0.1213263 0.5751832 0.6063737), wk = 0.0029240 k( 124) = ( 0.1364921 0.5845510 0.5993048), wk = 0.0029240 k( 125) = ( 0.1516579 0.5939187 0.5922360), wk = 0.0029240 k( 126) = ( 0.1668237 0.6032865 0.5851671), wk = 0.0029240 k( 127) = ( 0.1819895 0.6126542 0.5780982), wk = 0.0029240 k( 128) = ( 0.1971553 0.6220220 0.5710293), wk = 0.0029240 k( 129) = ( 0.2123211 0.6313897 0.5639605), wk = 0.0029240 k( 130) = ( 0.2274869 0.6407574 0.5568916), wk = 0.0029240 k( 131) = ( 0.2426527 0.6501252 0.5498227), wk = 0.0029240 k( 132) = ( 0.2578184 0.6594929 0.5427538), wk = 0.0029240 k( 133) = ( 0.2729842 0.6688607 0.5356850), wk = 0.0029240 k( 134) = ( 0.2881500 0.6782284 0.5286161), wk = 0.0029240 k( 135) = ( 0.3033158 0.6875962 0.5215472), wk = 0.0029240 k( 136) = ( 0.3033158 0.6875962 0.5215472), wk = 0.0029240 k( 137) = ( 0.3098720 0.6808332 0.5041623), wk = 0.0029240 k( 138) = ( 0.3164281 0.6740702 0.4867774), wk = 0.0029240 k( 139) = ( 0.3229842 0.6673072 0.4693925), wk = 0.0029240 k( 140) = ( 0.3295404 0.6605441 0.4520076), wk = 0.0029240 k( 141) = ( 0.3360965 0.6537811 0.4346227), wk = 0.0029240 k( 142) = ( 0.3426527 0.6470181 0.4172378), wk = 0.0029240 k( 143) = ( 0.3492088 0.6402551 0.3998529), wk = 0.0029240 k( 144) = ( 0.3557649 0.6334921 0.3824679), wk = 0.0029240 k( 145) = ( 0.3623211 0.6267291 0.3650830), wk = 0.0029240 k( 146) = ( 0.3688772 0.6199661 0.3476981), wk = 0.0029240 k( 147) = ( 0.3754334 0.6132031 0.3303132), wk = 0.0029240 k( 148) = ( 0.3819895 0.6064401 0.3129283), wk = 0.0029240 k( 149) = ( 0.3885456 0.5996771 0.2955434), wk = 0.0029240 k( 150) = ( 0.3951018 0.5929141 0.2781585), wk = 0.0029240 k( 151) = ( 0.4016579 0.5861511 0.2607736), wk = 0.0029240 k( 152) = ( 0.4082140 0.5793881 0.2433887), wk = 0.0029240 k( 153) = ( 0.4147702 0.5726251 0.2260038), wk = 0.0029240 k( 154) = ( 0.4213263 0.5658621 0.2086189), wk = 0.0029240 k( 155) = ( 0.4278825 0.5590990 0.1912340), wk = 0.0029240 k( 156) = ( 0.4344386 0.5523360 0.1738491), wk = 0.0029240 k( 157) = ( 0.4409947 0.5455730 0.1564642), wk = 0.0029240 k( 158) = ( 0.4475509 0.5388100 0.1390792), wk = 0.0029240 k( 159) = ( 0.4541070 0.5320470 0.1216943), wk = 0.0029240 k( 160) = ( 0.4606632 0.5252840 0.1043095), wk = 0.0029240 k( 161) = ( 0.4672193 0.5185210 0.0869245), wk = 0.0029240 k( 162) = ( 0.4737754 0.5117580 0.0695396), wk = 0.0029240 k( 163) = ( 0.4803316 0.5049950 0.0521547), wk = 0.0029240 k( 164) = ( 0.4868877 0.4982320 0.0347698), wk = 0.0029240 k( 165) = ( 0.4934439 0.4914690 0.0173849), wk = 0.0029240 k( 166) = ( 0.5000000 0.4847060 -0.0000000), wk = 0.0029240 k( 167) = ( 0.5000000 0.4847060 -0.0000000), wk = 0.0029240 k( 168) = ( 0.4861111 0.4712419 -0.0000000), wk = 0.0029240 k( 169) = ( 0.4722222 0.4577779 -0.0000000), wk = 0.0029240 k( 170) = ( 0.4583333 0.4443138 -0.0000000), wk = 0.0029240 k( 171) = ( 0.4444444 0.4308498 -0.0000000), wk = 0.0029240 k( 172) = ( 0.4305556 0.4173857 -0.0000000), wk = 0.0029240 k( 173) = ( 0.4166667 0.4039217 -0.0000000), wk = 0.0029240 k( 174) = ( 0.4027778 0.3904576 -0.0000000), wk = 0.0029240 k( 175) = ( 0.3888889 0.3769935 -0.0000000), wk = 0.0029240 k( 176) = ( 0.3750000 0.3635295 -0.0000000), wk = 0.0029240 k( 177) = ( 0.3611111 0.3500654 -0.0000000), wk = 0.0029240 k( 178) = ( 0.3472222 0.3366014 -0.0000000), wk = 0.0029240 k( 179) = ( 0.3333333 0.3231373 -0.0000000), wk = 0.0029240 k( 180) = ( 0.3194444 0.3096733 -0.0000000), wk = 0.0029240 k( 181) = ( 0.3055556 0.2962092 -0.0000000), wk = 0.0029240 k( 182) = ( 0.2916667 0.2827452 -0.0000000), wk = 0.0029240 k( 183) = ( 0.2777778 0.2692811 -0.0000000), wk = 0.0029240 k( 184) = ( 0.2638889 0.2558170 -0.0000000), wk = 0.0029240 k( 185) = ( 0.2500000 0.2423530 -0.0000000), wk = 0.0029240 k( 186) = ( 0.2361111 0.2288889 -0.0000000), wk = 0.0029240 k( 187) = ( 0.2222222 0.2154249 -0.0000000), wk = 0.0029240 k( 188) = ( 0.2083333 0.2019608 -0.0000000), wk = 0.0029240 k( 189) = ( 0.1944444 0.1884968 -0.0000000), wk = 0.0029240 k( 190) = ( 0.1805556 0.1750327 -0.0000000), wk = 0.0029240 k( 191) = ( 0.1666667 0.1615687 -0.0000000), wk = 0.0029240 k( 192) = ( 0.1527778 0.1481046 -0.0000000), wk = 0.0029240 k( 193) = ( 0.1388889 0.1346406 -0.0000000), wk = 0.0029240 k( 194) = ( 0.1250000 0.1211765 -0.0000000), wk = 0.0029240 k( 195) = ( 0.1111111 0.1077124 -0.0000000), wk = 0.0029240 k( 196) = ( 0.0972222 0.0942484 -0.0000000), wk = 0.0029240 k( 197) = ( 0.0833333 0.0807843 -0.0000000), wk = 0.0029240 k( 198) = ( 0.0694444 0.0673203 -0.0000000), wk = 0.0029240 k( 199) = ( 0.0555556 0.0538562 -0.0000000), wk = 0.0029240 k( 200) = ( 0.0416667 0.0403922 -0.0000000), wk = 0.0029240 k( 201) = ( 0.0277778 0.0269281 -0.0000000), wk = 0.0029240 k( 202) = ( 0.0138889 0.0134641 -0.0000000), wk = 0.0029240 k( 203) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029240 k( 204) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029240 k( 205) = ( 0.0119896 -0.0123679 0.0093328), wk = 0.0029240 k( 206) = ( 0.0239791 -0.0247357 0.0186655), wk = 0.0029240 k( 207) = ( 0.0359687 -0.0371036 0.0279983), wk = 0.0029240 k( 208) = ( 0.0479582 -0.0494715 0.0373310), wk = 0.0029240 k( 209) = ( 0.0599478 -0.0618393 0.0466638), wk = 0.0029240 k( 210) = ( 0.0719373 -0.0742072 0.0559966), wk = 0.0029240 k( 211) = ( 0.0839269 -0.0865751 0.0653293), wk = 0.0029240 k( 212) = ( 0.0959165 -0.0989429 0.0746621), wk = 0.0029240 k( 213) = ( 0.1079060 -0.1113108 0.0839948), wk = 0.0029240 k( 214) = ( 0.1198956 -0.1236787 0.0933276), wk = 0.0029240 k( 215) = ( 0.1318851 -0.1360465 0.1026604), wk = 0.0029240 k( 216) = ( 0.1438747 -0.1484144 0.1119931), wk = 0.0029240 k( 217) = ( 0.1558643 -0.1607823 0.1213259), wk = 0.0029240 k( 218) = ( 0.1678538 -0.1731501 0.1306586), wk = 0.0029240 k( 219) = ( 0.1798434 -0.1855180 0.1399914), wk = 0.0029240 k( 220) = ( 0.1918329 -0.1978859 0.1493242), wk = 0.0029240 k( 221) = ( 0.2038225 -0.2102537 0.1586569), wk = 0.0029240 k( 222) = ( 0.2158120 -0.2226216 0.1679897), wk = 0.0029240 k( 223) = ( 0.2278016 -0.2349895 0.1773224), wk = 0.0029240 k( 224) = ( 0.2397912 -0.2473573 0.1866552), wk = 0.0029240 k( 225) = ( 0.2517807 -0.2597252 0.1959880), wk = 0.0029240 k( 226) = ( 0.2637703 -0.2720931 0.2053207), wk = 0.0029240 k( 227) = ( 0.2757598 -0.2844609 0.2146535), wk = 0.0029240 k( 228) = ( 0.2877494 -0.2968288 0.2239862), wk = 0.0029240 k( 229) = ( 0.2997389 -0.3091966 0.2333190), wk = 0.0029240 k( 230) = ( 0.3117285 -0.3215645 0.2426518), wk = 0.0029240 k( 231) = ( 0.3237180 -0.3339324 0.2519845), wk = 0.0029240 k( 232) = ( 0.3357076 -0.3463003 0.2613173), wk = 0.0029240 k( 233) = ( 0.3476972 -0.3586681 0.2706500), wk = 0.0029240 k( 234) = ( 0.3596867 -0.3710360 0.2799828), wk = 0.0029240 k( 235) = ( 0.3716763 -0.3834039 0.2893156), wk = 0.0029240 k( 236) = ( 0.3836658 -0.3957717 0.2986483), wk = 0.0029240 k( 237) = ( 0.3956554 -0.4081396 0.3079811), wk = 0.0029240 k( 238) = ( 0.4076450 -0.4205074 0.3173138), wk = 0.0029240 k( 239) = ( 0.4196345 -0.4328753 0.3266466), wk = 0.0029240 k( 240) = ( 0.4316241 -0.4452432 0.3359794), wk = 0.0029240 k( 241) = ( 0.4316241 -0.4452432 0.3359794), wk = 0.0029240 k( 242) = ( 0.4344731 -0.4273387 0.3300886), wk = 0.0029240 k( 243) = ( 0.4373221 -0.4094342 0.3241979), wk = 0.0029240 k( 244) = ( 0.4401711 -0.3915297 0.3183072), wk = 0.0029240 k( 245) = ( 0.4430200 -0.3736252 0.3124164), wk = 0.0029240 k( 246) = ( 0.4458690 -0.3557207 0.3065257), wk = 0.0029240 k( 247) = ( 0.4487180 -0.3378162 0.3006350), wk = 0.0029240 k( 248) = ( 0.4515671 -0.3199117 0.2947443), wk = 0.0029240 k( 249) = ( 0.4544160 -0.3020072 0.2888535), wk = 0.0029240 k( 250) = ( 0.4572650 -0.2841027 0.2829628), wk = 0.0029240 k( 251) = ( 0.4601140 -0.2661982 0.2770721), wk = 0.0029240 k( 252) = ( 0.4629630 -0.2482937 0.2711813), wk = 0.0029240 k( 253) = ( 0.4658120 -0.2303892 0.2652906), wk = 0.0029240 k( 254) = ( 0.4686610 -0.2124848 0.2593999), wk = 0.0029240 k( 255) = ( 0.4715100 -0.1945803 0.2535091), wk = 0.0029240 k( 256) = ( 0.4743590 -0.1766758 0.2476184), wk = 0.0029240 k( 257) = ( 0.4772080 -0.1587713 0.2417277), wk = 0.0029240 k( 258) = ( 0.4800570 -0.1408668 0.2358370), wk = 0.0029240 k( 259) = ( 0.4829060 -0.1229623 0.2299462), wk = 0.0029240 k( 260) = ( 0.4857550 -0.1050578 0.2240555), wk = 0.0029240 k( 261) = ( 0.4886040 -0.0871533 0.2181648), wk = 0.0029240 k( 262) = ( 0.4914530 -0.0692488 0.2122740), wk = 0.0029240 k( 263) = ( 0.4943020 -0.0513443 0.2063833), wk = 0.0029240 k( 264) = ( 0.4971510 -0.0334398 0.2004926), wk = 0.0029240 k( 265) = ( 0.5000000 -0.0155353 0.1946018), wk = 0.0029240 k( 266) = ( 0.5000000 -0.0155353 0.1946018), wk = 0.0029240 k( 267) = ( 0.4934211 -0.0087488 0.2120472), wk = 0.0029240 k( 268) = ( 0.4868421 -0.0019622 0.2294926), wk = 0.0029240 k( 269) = ( 0.4802632 0.0048243 0.2469380), wk = 0.0029240 k( 270) = ( 0.4736842 0.0116108 0.2643834), wk = 0.0029240 k( 271) = ( 0.4671053 0.0183974 0.2818288), wk = 0.0029240 k( 272) = ( 0.4605263 0.0251839 0.2992742), wk = 0.0029240 k( 273) = ( 0.4539474 0.0319704 0.3167196), wk = 0.0029240 k( 274) = ( 0.4473684 0.0387570 0.3341649), wk = 0.0029240 k( 275) = ( 0.4407895 0.0455435 0.3516103), wk = 0.0029240 k( 276) = ( 0.4342105 0.0523300 0.3690557), wk = 0.0029240 k( 277) = ( 0.4276316 0.0591166 0.3865011), wk = 0.0029240 k( 278) = ( 0.4210526 0.0659031 0.4039465), wk = 0.0029240 k( 279) = ( 0.4144737 0.0726896 0.4213919), wk = 0.0029240 k( 280) = ( 0.4078947 0.0794762 0.4388373), wk = 0.0029240 k( 281) = ( 0.4013158 0.0862627 0.4562827), wk = 0.0029240 k( 282) = ( 0.3947368 0.0930492 0.4737280), wk = 0.0029240 k( 283) = ( 0.3881579 0.0998358 0.4911734), wk = 0.0029240 k( 284) = ( 0.3815789 0.1066223 0.5086188), wk = 0.0029240 k( 285) = ( 0.3750000 0.1134088 0.5260642), wk = 0.0029240 k( 286) = ( 0.3684211 0.1201954 0.5435096), wk = 0.0029240 k( 287) = ( 0.3618421 0.1269819 0.5609550), wk = 0.0029240 k( 288) = ( 0.3552632 0.1337684 0.5784004), wk = 0.0029240 k( 289) = ( 0.3486842 0.1405550 0.5958458), wk = 0.0029240 k( 290) = ( 0.3421053 0.1473415 0.6132911), wk = 0.0029240 k( 291) = ( 0.3355263 0.1541280 0.6307365), wk = 0.0029240 k( 292) = ( 0.3289474 0.1609146 0.6481819), wk = 0.0029240 k( 293) = ( 0.3223684 0.1677011 0.6656273), wk = 0.0029240 k( 294) = ( 0.3157895 0.1744877 0.6830727), wk = 0.0029240 k( 295) = ( 0.3092105 0.1812742 0.7005181), wk = 0.0029240 k( 296) = ( 0.3026316 0.1880607 0.7179635), wk = 0.0029240 k( 297) = ( 0.2960526 0.1948473 0.7354089), wk = 0.0029240 k( 298) = ( 0.2894737 0.2016338 0.7528543), wk = 0.0029240 k( 299) = ( 0.2828947 0.2084203 0.7702996), wk = 0.0029240 k( 300) = ( 0.2763158 0.2152069 0.7877450), wk = 0.0029240 k( 301) = ( 0.2697368 0.2219934 0.8051904), wk = 0.0029240 k( 302) = ( 0.2631579 0.2287799 0.8226358), wk = 0.0029240 k( 303) = ( 0.2565789 0.2355665 0.8400812), wk = 0.0029240 k( 304) = ( 0.2500000 0.2423530 0.8575266), wk = 0.0029240 k( 305) = ( 0.2349399 -0.2423530 0.8575266), wk = 0.0029240 k( 306) = ( 0.2414960 -0.2491160 0.8401417), wk = 0.0029240 k( 307) = ( 0.2480522 -0.2558790 0.8227567), wk = 0.0029240 k( 308) = ( 0.2546083 -0.2626420 0.8053718), wk = 0.0029240 k( 309) = ( 0.2611644 -0.2694050 0.7879869), wk = 0.0029240 k( 310) = ( 0.2677206 -0.2761680 0.7706020), wk = 0.0029240 k( 311) = ( 0.2742767 -0.2829310 0.7532171), wk = 0.0029240 k( 312) = ( 0.2808329 -0.2896940 0.7358322), wk = 0.0029240 k( 313) = ( 0.2873890 -0.2964570 0.7184473), wk = 0.0029240 k( 314) = ( 0.2939451 -0.3032200 0.7010624), wk = 0.0029240 k( 315) = ( 0.3005013 -0.3099831 0.6836775), wk = 0.0029240 k( 316) = ( 0.3070574 -0.3167461 0.6662926), wk = 0.0029240 k( 317) = ( 0.3136136 -0.3235091 0.6489077), wk = 0.0029240 k( 318) = ( 0.3201697 -0.3302721 0.6315228), wk = 0.0029240 k( 319) = ( 0.3267258 -0.3370351 0.6141379), wk = 0.0029240 k( 320) = ( 0.3332820 -0.3437981 0.5967530), wk = 0.0029240 k( 321) = ( 0.3398381 -0.3505611 0.5793680), wk = 0.0029240 k( 322) = ( 0.3463943 -0.3573241 0.5619831), wk = 0.0029240 k( 323) = ( 0.3529504 -0.3640871 0.5445982), wk = 0.0029240 k( 324) = ( 0.3595065 -0.3708501 0.5272133), wk = 0.0029240 k( 325) = ( 0.3660627 -0.3776131 0.5098284), wk = 0.0029240 k( 326) = ( 0.3726188 -0.3843761 0.4924435), wk = 0.0029240 k( 327) = ( 0.3791750 -0.3911391 0.4750586), wk = 0.0029240 k( 328) = ( 0.3857311 -0.3979021 0.4576737), wk = 0.0029240 k( 329) = ( 0.3922872 -0.4046651 0.4402888), wk = 0.0029240 k( 330) = ( 0.3988434 -0.4114281 0.4229039), wk = 0.0029240 k( 331) = ( 0.4053995 -0.4181912 0.4055190), wk = 0.0029240 k( 332) = ( 0.4119557 -0.4249542 0.3881341), wk = 0.0029240 k( 333) = ( 0.4185118 -0.4317172 0.3707492), wk = 0.0029240 k( 334) = ( 0.4250679 -0.4384802 0.3533643), wk = 0.0029240 k( 335) = ( 0.4316241 -0.4452432 0.3359794), wk = 0.0029240 k( 336) = ( 0.5683759 0.4141726 0.0532243), wk = 0.0029240 k( 337) = ( 0.5569800 0.4259281 0.0443536), wk = 0.0029240 k( 338) = ( 0.5455840 0.4376837 0.0354829), wk = 0.0029240 k( 339) = ( 0.5341880 0.4494393 0.0266122), wk = 0.0029240 k( 340) = ( 0.5227920 0.4611948 0.0177414), wk = 0.0029240 k( 341) = ( 0.5113960 0.4729504 0.0088707), wk = 0.0029240 k( 342) = ( 0.5000000 0.4847060 -0.0000000), wk = 0.0029240 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029240 k( 2) = ( -0.0064535 0.0064535 0.0064535), wk = 0.0029240 k( 3) = ( -0.0129071 0.0129071 0.0129071), wk = 0.0029240 k( 4) = ( -0.0193606 0.0193606 0.0193606), wk = 0.0029240 k( 5) = ( -0.0258141 0.0258141 0.0258141), wk = 0.0029240 k( 6) = ( -0.0322676 0.0322676 0.0322676), wk = 0.0029240 k( 7) = ( -0.0387212 0.0387212 0.0387212), wk = 0.0029240 k( 8) = ( -0.0451747 0.0451747 0.0451747), wk = 0.0029240 k( 9) = ( -0.0516282 0.0516282 0.0516282), wk = 0.0029240 k( 10) = ( -0.0580818 0.0580818 0.0580817), wk = 0.0029240 k( 11) = ( -0.0645353 0.0645353 0.0645353), wk = 0.0029240 k( 12) = ( -0.0709888 0.0709888 0.0709888), wk = 0.0029240 k( 13) = ( -0.0774423 0.0774423 0.0774423), wk = 0.0029240 k( 14) = ( -0.0838959 0.0838959 0.0838959), wk = 0.0029240 k( 15) = ( -0.0903494 0.0903494 0.0903494), wk = 0.0029240 k( 16) = ( -0.0968029 0.0968029 0.0968029), wk = 0.0029240 k( 17) = ( -0.1032564 0.1032564 0.1032564), wk = 0.0029240 k( 18) = ( -0.1097100 0.1097100 0.1097100), wk = 0.0029240 k( 19) = ( -0.1161635 0.1161635 0.1161635), wk = 0.0029240 k( 20) = ( -0.1226170 0.1226170 0.1226170), wk = 0.0029240 k( 21) = ( -0.1290706 0.1290706 0.1290706), wk = 0.0029240 k( 22) = ( -0.1355241 0.1355241 0.1355241), wk = 0.0029240 k( 23) = ( -0.1419776 0.1419776 0.1419776), wk = 0.0029240 k( 24) = ( -0.1484312 0.1484312 0.1484312), wk = 0.0029240 k( 25) = ( -0.1548847 0.1548847 0.1548847), wk = 0.0029240 k( 26) = ( -0.1613382 0.1613382 0.1613382), wk = 0.0029240 k( 27) = ( -0.1677917 0.1677917 0.1677917), wk = 0.0029240 k( 28) = ( -0.1742453 0.1742453 0.1742453), wk = 0.0029240 k( 29) = ( -0.1806988 0.1806988 0.1806988), wk = 0.0029240 k( 30) = ( -0.1871523 0.1871523 0.1871523), wk = 0.0029240 k( 31) = ( -0.1936058 0.1936059 0.1936058), wk = 0.0029240 k( 32) = ( -0.2000594 0.2000594 0.2000594), wk = 0.0029240 k( 33) = ( -0.2065129 0.2065129 0.2065129), wk = 0.0029240 k( 34) = ( -0.2129664 0.2129664 0.2129664), wk = 0.0029240 k( 35) = ( -0.2194200 0.2194200 0.2194200), wk = 0.0029240 k( 36) = ( -0.2258735 0.2258735 0.2258735), wk = 0.0029240 k( 37) = ( -0.2323270 0.2323270 0.2323270), wk = 0.0029240 k( 38) = ( -0.2387805 0.2387805 0.2387805), wk = 0.0029240 k( 39) = ( -0.2452341 0.2452341 0.2452341), wk = 0.0029240 k( 40) = ( -0.2516876 0.2516876 0.2516876), wk = 0.0029240 k( 41) = ( -0.2581411 0.2581411 0.2581411), wk = 0.0029240 k( 42) = ( -0.2645947 0.2645947 0.2645947), wk = 0.0029240 k( 43) = ( -0.2710482 0.2710482 0.2710482), wk = 0.0029240 k( 44) = ( -0.2775017 0.2775017 0.2775017), wk = 0.0029240 k( 45) = ( -0.2839552 0.2839552 0.2839552), wk = 0.0029240 k( 46) = ( -0.2904088 0.2904088 0.2904088), wk = 0.0029240 k( 47) = ( -0.2968623 0.2968623 0.2968623), wk = 0.0029240 k( 48) = ( -0.3033158 0.3033158 0.3033158), wk = 0.0029240 k( 49) = ( -0.3033158 0.3033158 0.3033158), wk = 0.0029240 k( 50) = ( -0.2919198 0.2919198 0.3147118), wk = 0.0029240 k( 51) = ( -0.2805239 0.2805239 0.3261078), wk = 0.0029240 k( 52) = ( -0.2691279 0.2691279 0.3375038), wk = 0.0029240 k( 53) = ( -0.2577319 0.2577319 0.3488998), wk = 0.0029240 k( 54) = ( -0.2463359 0.2463359 0.3602958), wk = 0.0029240 k( 55) = ( -0.2349399 0.2349399 0.3716918), wk = 0.0029240 k( 56) = ( -0.2349399 0.2349399 0.3716918), wk = 0.0029240 k( 57) = ( -0.2211199 0.2211199 0.3792393), wk = 0.0029240 k( 58) = ( -0.2072999 0.2072999 0.3867869), wk = 0.0029240 k( 59) = ( -0.1934799 0.1934799 0.3943344), wk = 0.0029240 k( 60) = ( -0.1796599 0.1796599 0.4018819), wk = 0.0029240 k( 61) = ( -0.1658399 0.1658399 0.4094295), wk = 0.0029240 k( 62) = ( -0.1520199 0.1520199 0.4169770), wk = 0.0029240 k( 63) = ( -0.1381999 0.1381999 0.4245246), wk = 0.0029240 k( 64) = ( -0.1243799 0.1243799 0.4320721), wk = 0.0029240 k( 65) = ( -0.1105600 0.1105600 0.4396196), wk = 0.0029240 k( 66) = ( -0.0967400 0.0967400 0.4471672), wk = 0.0029240 k( 67) = ( -0.0829200 0.0829200 0.4547147), wk = 0.0029240 k( 68) = ( -0.0691000 0.0691000 0.4622623), wk = 0.0029240 k( 69) = ( -0.0552800 0.0552800 0.4698098), wk = 0.0029240 k( 70) = ( -0.0414600 0.0414600 0.4773574), wk = 0.0029240 k( 71) = ( -0.0276400 0.0276400 0.4849049), wk = 0.0029240 k( 72) = ( -0.0138200 0.0138200 0.4924525), wk = 0.0029240 k( 73) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029240 k( 74) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029240 k( 75) = ( 0.0138889 0.0138889 0.4861111), wk = 0.0029240 k( 76) = ( 0.0277778 0.0277778 0.4722222), wk = 0.0029240 k( 77) = ( 0.0416667 0.0416667 0.4583333), wk = 0.0029240 k( 78) = ( 0.0555556 0.0555556 0.4444444), wk = 0.0029240 k( 79) = ( 0.0694444 0.0694444 0.4305556), wk = 0.0029240 k( 80) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0029240 k( 81) = ( 0.0972222 0.0972222 0.4027778), wk = 0.0029240 k( 82) = ( 0.1111111 0.1111111 0.3888889), wk = 0.0029240 k( 83) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0029240 k( 84) = ( 0.1388889 0.1388889 0.3611111), wk = 0.0029240 k( 85) = ( 0.1527778 0.1527778 0.3472222), wk = 0.0029240 k( 86) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0029240 k( 87) = ( 0.1805556 0.1805556 0.3194444), wk = 0.0029240 k( 88) = ( 0.1944444 0.1944444 0.3055556), wk = 0.0029240 k( 89) = ( 0.2083333 0.2083333 0.2916667), wk = 0.0029240 k( 90) = ( 0.2222222 0.2222222 0.2777778), wk = 0.0029240 k( 91) = ( 0.2361111 0.2361111 0.2638889), wk = 0.0029240 k( 92) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029240 k( 93) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029240 k( 94) = ( 0.2380952 0.2619048 0.2380952), wk = 0.0029240 k( 95) = ( 0.2261905 0.2738095 0.2261905), wk = 0.0029240 k( 96) = ( 0.2142857 0.2857143 0.2142857), wk = 0.0029240 k( 97) = ( 0.2023810 0.2976190 0.2023810), wk = 0.0029240 k( 98) = ( 0.1904762 0.3095238 0.1904762), wk = 0.0029240 k( 99) = ( 0.1785714 0.3214286 0.1785714), wk = 0.0029240 k( 100) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0029240 k( 101) = ( 0.1547619 0.3452381 0.1547619), wk = 0.0029240 k( 102) = ( 0.1428571 0.3571429 0.1428571), wk = 0.0029240 k( 103) = ( 0.1309524 0.3690476 0.1309524), wk = 0.0029240 k( 104) = ( 0.1190476 0.3809524 0.1190476), wk = 0.0029240 k( 105) = ( 0.1071429 0.3928571 0.1071429), wk = 0.0029240 k( 106) = ( 0.0952381 0.4047619 0.0952381), wk = 0.0029240 k( 107) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0029240 k( 108) = ( 0.0714286 0.4285714 0.0714286), wk = 0.0029240 k( 109) = ( 0.0595238 0.4404762 0.0595238), wk = 0.0029240 k( 110) = ( 0.0476191 0.4523810 0.0476190), wk = 0.0029240 k( 111) = ( 0.0357143 0.4642857 0.0357143), wk = 0.0029240 k( 112) = ( 0.0238095 0.4761905 0.0238095), wk = 0.0029240 k( 113) = ( 0.0119048 0.4880952 0.0119048), wk = 0.0029240 k( 114) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029240 k( 115) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029240 k( 116) = ( 0.0151658 0.5098342 -0.0151658), wk = 0.0029240 k( 117) = ( 0.0303316 0.5196684 -0.0303316), wk = 0.0029240 k( 118) = ( 0.0454974 0.5295026 -0.0454974), wk = 0.0029240 k( 119) = ( 0.0606632 0.5393368 -0.0606632), wk = 0.0029240 k( 120) = ( 0.0758290 0.5491710 -0.0758290), wk = 0.0029240 k( 121) = ( 0.0909947 0.5590053 -0.0909948), wk = 0.0029240 k( 122) = ( 0.1061605 0.5688395 -0.1061605), wk = 0.0029240 k( 123) = ( 0.1213263 0.5786737 -0.1213263), wk = 0.0029240 k( 124) = ( 0.1364921 0.5885079 -0.1364921), wk = 0.0029240 k( 125) = ( 0.1516579 0.5983421 -0.1516579), wk = 0.0029240 k( 126) = ( 0.1668237 0.6081763 -0.1668237), wk = 0.0029240 k( 127) = ( 0.1819895 0.6180105 -0.1819895), wk = 0.0029240 k( 128) = ( 0.1971553 0.6278447 -0.1971553), wk = 0.0029240 k( 129) = ( 0.2123211 0.6376789 -0.2123211), wk = 0.0029240 k( 130) = ( 0.2274869 0.6475131 -0.2274869), wk = 0.0029240 k( 131) = ( 0.2426527 0.6573473 -0.2426527), wk = 0.0029240 k( 132) = ( 0.2578184 0.6671816 -0.2578185), wk = 0.0029240 k( 133) = ( 0.2729842 0.6770158 -0.2729842), wk = 0.0029240 k( 134) = ( 0.2881500 0.6868500 -0.2881500), wk = 0.0029240 k( 135) = ( 0.3033158 0.6966842 -0.3033158), wk = 0.0029240 k( 136) = ( 0.3033158 0.6966842 -0.3033158), wk = 0.0029240 k( 137) = ( 0.3098720 0.6901280 -0.3098720), wk = 0.0029240 k( 138) = ( 0.3164281 0.6835719 -0.3164281), wk = 0.0029240 k( 139) = ( 0.3229842 0.6770158 -0.3229842), wk = 0.0029240 k( 140) = ( 0.3295404 0.6704596 -0.3295404), wk = 0.0029240 k( 141) = ( 0.3360965 0.6639035 -0.3360965), wk = 0.0029240 k( 142) = ( 0.3426527 0.6573473 -0.3426527), wk = 0.0029240 k( 143) = ( 0.3492088 0.6507912 -0.3492088), wk = 0.0029240 k( 144) = ( 0.3557649 0.6442351 -0.3557649), wk = 0.0029240 k( 145) = ( 0.3623211 0.6376789 -0.3623211), wk = 0.0029240 k( 146) = ( 0.3688772 0.6311228 -0.3688772), wk = 0.0029240 k( 147) = ( 0.3754334 0.6245666 -0.3754334), wk = 0.0029240 k( 148) = ( 0.3819895 0.6180105 -0.3819895), wk = 0.0029240 k( 149) = ( 0.3885456 0.6114544 -0.3885456), wk = 0.0029240 k( 150) = ( 0.3951018 0.6048982 -0.3951018), wk = 0.0029240 k( 151) = ( 0.4016579 0.5983421 -0.4016579), wk = 0.0029240 k( 152) = ( 0.4082140 0.5917860 -0.4082141), wk = 0.0029240 k( 153) = ( 0.4147702 0.5852298 -0.4147702), wk = 0.0029240 k( 154) = ( 0.4213263 0.5786737 -0.4213263), wk = 0.0029240 k( 155) = ( 0.4278825 0.5721175 -0.4278825), wk = 0.0029240 k( 156) = ( 0.4344386 0.5655614 -0.4344386), wk = 0.0029240 k( 157) = ( 0.4409947 0.5590053 -0.4409948), wk = 0.0029240 k( 158) = ( 0.4475509 0.5524491 -0.4475509), wk = 0.0029240 k( 159) = ( 0.4541070 0.5458930 -0.4541070), wk = 0.0029240 k( 160) = ( 0.4606632 0.5393368 -0.4606632), wk = 0.0029240 k( 161) = ( 0.4672193 0.5327807 -0.4672193), wk = 0.0029240 k( 162) = ( 0.4737754 0.5262246 -0.4737754), wk = 0.0029240 k( 163) = ( 0.4803316 0.5196684 -0.4803316), wk = 0.0029240 k( 164) = ( 0.4868877 0.5131123 -0.4868877), wk = 0.0029240 k( 165) = ( 0.4934439 0.5065561 -0.4934439), wk = 0.0029240 k( 166) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0029240 k( 167) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0029240 k( 168) = ( 0.4861111 0.4861111 -0.4861111), wk = 0.0029240 k( 169) = ( 0.4722222 0.4722222 -0.4722222), wk = 0.0029240 k( 170) = ( 0.4583333 0.4583333 -0.4583333), wk = 0.0029240 k( 171) = ( 0.4444444 0.4444444 -0.4444444), wk = 0.0029240 k( 172) = ( 0.4305556 0.4305556 -0.4305556), wk = 0.0029240 k( 173) = ( 0.4166667 0.4166667 -0.4166667), wk = 0.0029240 k( 174) = ( 0.4027778 0.4027778 -0.4027778), wk = 0.0029240 k( 175) = ( 0.3888889 0.3888889 -0.3888889), wk = 0.0029240 k( 176) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0029240 k( 177) = ( 0.3611111 0.3611111 -0.3611111), wk = 0.0029240 k( 178) = ( 0.3472222 0.3472222 -0.3472222), wk = 0.0029240 k( 179) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0029240 k( 180) = ( 0.3194444 0.3194444 -0.3194444), wk = 0.0029240 k( 181) = ( 0.3055556 0.3055556 -0.3055556), wk = 0.0029240 k( 182) = ( 0.2916667 0.2916667 -0.2916667), wk = 0.0029240 k( 183) = ( 0.2777778 0.2777778 -0.2777778), wk = 0.0029240 k( 184) = ( 0.2638889 0.2638889 -0.2638889), wk = 0.0029240 k( 185) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0029240 k( 186) = ( 0.2361111 0.2361111 -0.2361111), wk = 0.0029240 k( 187) = ( 0.2222222 0.2222222 -0.2222222), wk = 0.0029240 k( 188) = ( 0.2083333 0.2083333 -0.2083333), wk = 0.0029240 k( 189) = ( 0.1944444 0.1944444 -0.1944444), wk = 0.0029240 k( 190) = ( 0.1805556 0.1805556 -0.1805556), wk = 0.0029240 k( 191) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0029240 k( 192) = ( 0.1527778 0.1527778 -0.1527778), wk = 0.0029240 k( 193) = ( 0.1388889 0.1388889 -0.1388889), wk = 0.0029240 k( 194) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0029240 k( 195) = ( 0.1111111 0.1111111 -0.1111111), wk = 0.0029240 k( 196) = ( 0.0972222 0.0972222 -0.0972222), wk = 0.0029240 k( 197) = ( 0.0833333 0.0833333 -0.0833333), wk = 0.0029240 k( 198) = ( 0.0694444 0.0694444 -0.0694444), wk = 0.0029240 k( 199) = ( 0.0555556 0.0555556 -0.0555556), wk = 0.0029240 k( 200) = ( 0.0416667 0.0416667 -0.0416667), wk = 0.0029240 k( 201) = ( 0.0277778 0.0277778 -0.0277778), wk = 0.0029240 k( 202) = ( 0.0138889 0.0138889 -0.0138889), wk = 0.0029240 k( 203) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029240 k( 204) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029240 k( 205) = ( 0.0119896 -0.0119896 0.0119896), wk = 0.0029240 k( 206) = ( 0.0239791 -0.0239791 0.0239791), wk = 0.0029240 k( 207) = ( 0.0359687 -0.0359687 0.0359687), wk = 0.0029240 k( 208) = ( 0.0479582 -0.0479582 0.0479582), wk = 0.0029240 k( 209) = ( 0.0599478 -0.0599478 0.0599478), wk = 0.0029240 k( 210) = ( 0.0719373 -0.0719373 0.0719373), wk = 0.0029240 k( 211) = ( 0.0839269 -0.0839269 0.0839269), wk = 0.0029240 k( 212) = ( 0.0959165 -0.0959165 0.0959165), wk = 0.0029240 k( 213) = ( 0.1079060 -0.1079060 0.1079060), wk = 0.0029240 k( 214) = ( 0.1198956 -0.1198956 0.1198956), wk = 0.0029240 k( 215) = ( 0.1318851 -0.1318851 0.1318851), wk = 0.0029240 k( 216) = ( 0.1438747 -0.1438747 0.1438747), wk = 0.0029240 k( 217) = ( 0.1558643 -0.1558643 0.1558643), wk = 0.0029240 k( 218) = ( 0.1678538 -0.1678538 0.1678538), wk = 0.0029240 k( 219) = ( 0.1798434 -0.1798434 0.1798434), wk = 0.0029240 k( 220) = ( 0.1918329 -0.1918329 0.1918329), wk = 0.0029240 k( 221) = ( 0.2038225 -0.2038225 0.2038225), wk = 0.0029240 k( 222) = ( 0.2158120 -0.2158120 0.2158120), wk = 0.0029240 k( 223) = ( 0.2278016 -0.2278016 0.2278016), wk = 0.0029240 k( 224) = ( 0.2397912 -0.2397912 0.2397912), wk = 0.0029240 k( 225) = ( 0.2517807 -0.2517807 0.2517807), wk = 0.0029240 k( 226) = ( 0.2637703 -0.2637703 0.2637703), wk = 0.0029240 k( 227) = ( 0.2757598 -0.2757598 0.2757598), wk = 0.0029240 k( 228) = ( 0.2877494 -0.2877494 0.2877494), wk = 0.0029240 k( 229) = ( 0.2997389 -0.2997389 0.2997389), wk = 0.0029240 k( 230) = ( 0.3117285 -0.3117285 0.3117285), wk = 0.0029240 k( 231) = ( 0.3237180 -0.3237181 0.3237181), wk = 0.0029240 k( 232) = ( 0.3357076 -0.3357076 0.3357076), wk = 0.0029240 k( 233) = ( 0.3476972 -0.3476972 0.3476972), wk = 0.0029240 k( 234) = ( 0.3596867 -0.3596867 0.3596867), wk = 0.0029240 k( 235) = ( 0.3716763 -0.3716763 0.3716763), wk = 0.0029240 k( 236) = ( 0.3836658 -0.3836658 0.3836658), wk = 0.0029240 k( 237) = ( 0.3956554 -0.3956554 0.3956554), wk = 0.0029240 k( 238) = ( 0.4076450 -0.4076450 0.4076450), wk = 0.0029240 k( 239) = ( 0.4196345 -0.4196345 0.4196345), wk = 0.0029240 k( 240) = ( 0.4316241 -0.4316241 0.4316241), wk = 0.0029240 k( 241) = ( 0.4316241 -0.4316241 0.4316241), wk = 0.0029240 k( 242) = ( 0.4344731 -0.4136397 0.4136397), wk = 0.0029240 k( 243) = ( 0.4373221 -0.3956554 0.3956554), wk = 0.0029240 k( 244) = ( 0.4401711 -0.3776711 0.3776711), wk = 0.0029240 k( 245) = ( 0.4430200 -0.3596867 0.3596867), wk = 0.0029240 k( 246) = ( 0.4458690 -0.3417024 0.3417024), wk = 0.0029240 k( 247) = ( 0.4487180 -0.3237181 0.3237181), wk = 0.0029240 k( 248) = ( 0.4515671 -0.3057337 0.3057337), wk = 0.0029240 k( 249) = ( 0.4544160 -0.2877494 0.2877494), wk = 0.0029240 k( 250) = ( 0.4572650 -0.2697650 0.2697650), wk = 0.0029240 k( 251) = ( 0.4601140 -0.2517807 0.2517807), wk = 0.0029240 k( 252) = ( 0.4629630 -0.2337964 0.2337964), wk = 0.0029240 k( 253) = ( 0.4658120 -0.2158120 0.2158120), wk = 0.0029240 k( 254) = ( 0.4686610 -0.1978277 0.1978277), wk = 0.0029240 k( 255) = ( 0.4715100 -0.1798434 0.1798434), wk = 0.0029240 k( 256) = ( 0.4743590 -0.1618590 0.1618590), wk = 0.0029240 k( 257) = ( 0.4772080 -0.1438747 0.1438747), wk = 0.0029240 k( 258) = ( 0.4800570 -0.1258904 0.1258904), wk = 0.0029240 k( 259) = ( 0.4829060 -0.1079060 0.1079060), wk = 0.0029240 k( 260) = ( 0.4857550 -0.0899217 0.0899217), wk = 0.0029240 k( 261) = ( 0.4886040 -0.0719373 0.0719373), wk = 0.0029240 k( 262) = ( 0.4914530 -0.0539530 0.0539530), wk = 0.0029240 k( 263) = ( 0.4943020 -0.0359687 0.0359687), wk = 0.0029240 k( 264) = ( 0.4971510 -0.0179843 0.0179843), wk = 0.0029240 k( 265) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0029240 k( 266) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0029240 k( 267) = ( 0.4934211 0.0065790 0.0065790), wk = 0.0029240 k( 268) = ( 0.4868421 0.0131579 0.0131579), wk = 0.0029240 k( 269) = ( 0.4802632 0.0197368 0.0197368), wk = 0.0029240 k( 270) = ( 0.4736842 0.0263158 0.0263158), wk = 0.0029240 k( 271) = ( 0.4671053 0.0328947 0.0328947), wk = 0.0029240 k( 272) = ( 0.4605263 0.0394737 0.0394737), wk = 0.0029240 k( 273) = ( 0.4539474 0.0460526 0.0460526), wk = 0.0029240 k( 274) = ( 0.4473684 0.0526316 0.0526316), wk = 0.0029240 k( 275) = ( 0.4407895 0.0592105 0.0592105), wk = 0.0029240 k( 276) = ( 0.4342105 0.0657895 0.0657895), wk = 0.0029240 k( 277) = ( 0.4276316 0.0723684 0.0723684), wk = 0.0029240 k( 278) = ( 0.4210526 0.0789474 0.0789474), wk = 0.0029240 k( 279) = ( 0.4144737 0.0855263 0.0855263), wk = 0.0029240 k( 280) = ( 0.4078947 0.0921053 0.0921053), wk = 0.0029240 k( 281) = ( 0.4013158 0.0986842 0.0986842), wk = 0.0029240 k( 282) = ( 0.3947368 0.1052632 0.1052632), wk = 0.0029240 k( 283) = ( 0.3881579 0.1118421 0.1118421), wk = 0.0029240 k( 284) = ( 0.3815789 0.1184211 0.1184210), wk = 0.0029240 k( 285) = ( 0.3750000 0.1250000 0.1250000), wk = 0.0029240 k( 286) = ( 0.3684211 0.1315790 0.1315790), wk = 0.0029240 k( 287) = ( 0.3618421 0.1381579 0.1381579), wk = 0.0029240 k( 288) = ( 0.3552632 0.1447368 0.1447368), wk = 0.0029240 k( 289) = ( 0.3486842 0.1513158 0.1513158), wk = 0.0029240 k( 290) = ( 0.3421053 0.1578947 0.1578947), wk = 0.0029240 k( 291) = ( 0.3355263 0.1644737 0.1644737), wk = 0.0029240 k( 292) = ( 0.3289474 0.1710526 0.1710526), wk = 0.0029240 k( 293) = ( 0.3223684 0.1776316 0.1776316), wk = 0.0029240 k( 294) = ( 0.3157895 0.1842105 0.1842105), wk = 0.0029240 k( 295) = ( 0.3092105 0.1907895 0.1907895), wk = 0.0029240 k( 296) = ( 0.3026316 0.1973684 0.1973684), wk = 0.0029240 k( 297) = ( 0.2960526 0.2039474 0.2039474), wk = 0.0029240 k( 298) = ( 0.2894737 0.2105263 0.2105263), wk = 0.0029240 k( 299) = ( 0.2828947 0.2171053 0.2171053), wk = 0.0029240 k( 300) = ( 0.2763158 0.2236842 0.2236842), wk = 0.0029240 k( 301) = ( 0.2697368 0.2302632 0.2302632), wk = 0.0029240 k( 302) = ( 0.2631579 0.2368421 0.2368421), wk = 0.0029240 k( 303) = ( 0.2565789 0.2434211 0.2434210), wk = 0.0029240 k( 304) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029240 k( 305) = ( 0.2349399 -0.2349399 0.6283082), wk = 0.0029240 k( 306) = ( 0.2414960 -0.2414960 0.6217521), wk = 0.0029240 k( 307) = ( 0.2480522 -0.2480522 0.6151960), wk = 0.0029240 k( 308) = ( 0.2546083 -0.2546083 0.6086398), wk = 0.0029240 k( 309) = ( 0.2611644 -0.2611644 0.6020837), wk = 0.0029240 k( 310) = ( 0.2677206 -0.2677206 0.5955275), wk = 0.0029240 k( 311) = ( 0.2742767 -0.2742767 0.5889714), wk = 0.0029240 k( 312) = ( 0.2808329 -0.2808329 0.5824153), wk = 0.0029240 k( 313) = ( 0.2873890 -0.2873890 0.5758591), wk = 0.0029240 k( 314) = ( 0.2939451 -0.2939451 0.5693030), wk = 0.0029240 k( 315) = ( 0.3005013 -0.3005013 0.5627469), wk = 0.0029240 k( 316) = ( 0.3070574 -0.3070574 0.5561907), wk = 0.0029240 k( 317) = ( 0.3136136 -0.3136136 0.5496346), wk = 0.0029240 k( 318) = ( 0.3201697 -0.3201697 0.5430784), wk = 0.0029240 k( 319) = ( 0.3267258 -0.3267258 0.5365223), wk = 0.0029240 k( 320) = ( 0.3332820 -0.3332820 0.5299662), wk = 0.0029240 k( 321) = ( 0.3398381 -0.3398381 0.5234100), wk = 0.0029240 k( 322) = ( 0.3463943 -0.3463943 0.5168539), wk = 0.0029240 k( 323) = ( 0.3529504 -0.3529504 0.5102977), wk = 0.0029240 k( 324) = ( 0.3595065 -0.3595065 0.5037416), wk = 0.0029240 k( 325) = ( 0.3660627 -0.3660627 0.4971855), wk = 0.0029240 k( 326) = ( 0.3726188 -0.3726188 0.4906293), wk = 0.0029240 k( 327) = ( 0.3791750 -0.3791750 0.4840732), wk = 0.0029240 k( 328) = ( 0.3857311 -0.3857311 0.4775170), wk = 0.0029240 k( 329) = ( 0.3922872 -0.3922872 0.4709609), wk = 0.0029240 k( 330) = ( 0.3988434 -0.3988434 0.4644048), wk = 0.0029240 k( 331) = ( 0.4053995 -0.4053995 0.4578486), wk = 0.0029240 k( 332) = ( 0.4119557 -0.4119557 0.4512925), wk = 0.0029240 k( 333) = ( 0.4185118 -0.4185118 0.4447363), wk = 0.0029240 k( 334) = ( 0.4250679 -0.4250679 0.4381802), wk = 0.0029240 k( 335) = ( 0.4316241 -0.4316241 0.4316241), wk = 0.0029240 k( 336) = ( 0.5683759 0.4316241 -0.4316241), wk = 0.0029240 k( 337) = ( 0.5569800 0.4430201 -0.4430201), wk = 0.0029240 k( 338) = ( 0.5455840 0.4544160 -0.4544160), wk = 0.0029240 k( 339) = ( 0.5341880 0.4658120 -0.4658120), wk = 0.0029240 k( 340) = ( 0.5227920 0.4772080 -0.4772080), wk = 0.0029240 k( 341) = ( 0.5113960 0.4886040 -0.4886040), wk = 0.0029240 k( 342) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0029240 Dense grid: 415725 G-vectors FFT dimensions: ( 120, 120, 120) Smooth grid: 94307 G-vectors FFT dimensions: ( 72, 72, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.46 Mb ( 680, 44) NL pseudopotentials 0.56 Mb ( 340, 108) Each V/rho on FFT grid 0.88 Mb ( 57600) Each G-vector array 0.09 Mb ( 11548) G-vector shells 0.08 Mb ( 10385) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.83 Mb ( 680, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.15 Mb ( 108, 2, 44) The potential is recalculated from file : ./BeH2.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.7 secs Computing kpt #: 2 total cpu time spent up to now is 3.8 secs Computing kpt #: 3 total cpu time spent up to now is 4.9 secs Computing kpt #: 4 total cpu time spent up to now is 5.9 secs Computing kpt #: 5 total cpu time spent up to now is 7.0 secs Computing kpt #: 6 total cpu time spent up to now is 8.1 secs Computing kpt #: 7 total cpu time spent up to now is 9.2 secs Computing kpt #: 8 total cpu time spent up to now is 10.3 secs Computing kpt #: 9 total cpu time spent up to now is 11.4 secs Computing kpt #: 10 total cpu time spent up to now is 12.5 secs Computing kpt #: 11 total cpu time spent up to now is 13.7 secs Computing kpt #: 12 total cpu time spent up to now is 14.9 secs Computing kpt #: 13 total cpu time spent up to now is 16.0 secs Computing kpt #: 14 total cpu time spent up to now is 17.2 secs Computing kpt #: 15 total cpu time spent up to now is 18.3 secs Computing kpt #: 16 total cpu time spent up to now is 19.4 secs Computing kpt #: 17 total cpu time spent up to now is 20.5 secs Computing kpt #: 18 total cpu time spent up to now is 21.8 secs Computing kpt #: 19 total cpu time spent up to now is 23.3 secs Computing kpt #: 20 total cpu time spent up to now is 24.4 secs Computing kpt #: 21 total cpu time spent up to now is 25.5 secs Computing kpt #: 22 total cpu time spent up to now is 26.6 secs Computing kpt #: 23 total cpu time spent up to now is 27.7 secs Computing kpt #: 24 total cpu time spent up to now is 28.8 secs Computing kpt #: 25 total cpu time spent up to now is 29.9 secs Computing kpt #: 26 total cpu time spent up to now is 31.8 secs Computing kpt #: 27 total cpu time spent up to now is 33.4 secs Computing kpt #: 28 total cpu time spent up to now is 34.8 secs Computing kpt #: 29 total cpu time spent up to now is 36.1 secs Computing kpt #: 30 total cpu time spent up to now is 37.4 secs Computing kpt #: 31 total cpu time spent up to now is 38.6 secs Computing kpt #: 32 total cpu time spent up to now is 39.8 secs Computing kpt #: 33 total cpu time spent up to now is 41.0 secs Computing kpt #: 34 total cpu time spent up to now is 42.2 secs Computing kpt #: 35 total cpu time spent up to now is 43.4 secs Computing kpt #: 36 total cpu time spent up to now is 45.1 secs Computing kpt #: 37 total cpu time spent up to now is 46.3 secs Computing kpt #: 38 total cpu time spent up to now is 47.5 secs Computing kpt #: 39 total cpu time spent up to now is 48.9 secs Computing kpt #: 40 total cpu time spent up to now is 50.2 secs Computing kpt #: 41 total cpu time spent up to now is 51.7 secs Computing kpt #: 42 total cpu time spent up to now is 53.1 secs Computing kpt #: 43 total cpu time spent up to now is 54.1 secs Computing kpt #: 44 total cpu time spent up to now is 55.1 secs Computing kpt #: 45 total cpu time spent up to now is 56.0 secs Computing kpt #: 46 total cpu time spent up to now is 57.0 secs Computing kpt #: 47 total cpu time spent up to now is 57.9 secs Computing kpt #: 48 total cpu time spent up to now is 58.8 secs Computing kpt #: 49 total cpu time spent up to now is 59.7 secs Computing kpt #: 50 total cpu time spent up to now is 60.6 secs Computing kpt #: 51 total cpu time spent up to now is 61.6 secs Computing kpt #: 52 total cpu time spent up to now is 62.6 secs Computing kpt #: 53 total cpu time spent up to now is 63.7 secs Computing kpt #: 54 total cpu time spent up to now is 64.8 secs Computing kpt #: 55 total cpu time spent up to now is 66.3 secs Computing kpt #: 56 total cpu time spent up to now is 67.8 secs Computing kpt #: 57 total cpu time spent up to now is 69.0 secs Computing kpt #: 58 total cpu time spent up to now is 70.3 secs Computing kpt #: 59 total cpu time spent up to now is 71.6 secs Computing kpt #: 60 total cpu time spent up to now is 72.8 secs Computing kpt #: 61 total cpu time spent up to now is 74.1 secs Computing kpt #: 62 total cpu time spent up to now is 75.2 secs Computing kpt #: 63 total cpu time spent up to now is 76.4 secs Computing kpt #: 64 total cpu time spent up to now is 77.6 secs Computing kpt #: 65 total cpu time spent up to now is 78.7 secs Computing kpt #: 66 total cpu time spent up to now is 79.5 secs Computing kpt #: 67 total cpu time spent up to now is 80.4 secs Computing kpt #: 68 total cpu time spent up to now is 81.3 secs Computing kpt #: 69 total cpu time spent up to now is 82.2 secs Computing kpt #: 70 total cpu time spent up to now is 83.0 secs Computing kpt #: 71 total cpu time spent up to now is 83.9 secs Computing kpt #: 72 total cpu time spent up to now is 84.7 secs Computing kpt #: 73 total cpu time spent up to now is 85.6 secs Computing kpt #: 74 total cpu time spent up to now is 86.5 secs Computing kpt #: 75 total cpu time spent up to now is 87.3 secs Computing kpt #: 76 total cpu time spent up to now is 88.2 secs Computing kpt #: 77 total cpu time spent up to now is 89.0 secs Computing kpt #: 78 total cpu time spent up to now is 89.9 secs Computing kpt #: 79 total cpu time spent up to now is 90.8 secs Computing kpt #: 80 total cpu time spent up to now is 91.7 secs Computing kpt #: 81 total cpu time spent up to now is 92.6 secs Computing kpt #: 82 total cpu time spent up to now is 93.5 secs Computing kpt #: 83 total cpu time spent up to now is 94.5 secs Computing kpt #: 84 total cpu time spent up to now is 95.4 secs Computing kpt #: 85 total cpu time spent up to now is 96.4 secs Computing kpt #: 86 total cpu time spent up to now is 97.4 secs Computing kpt #: 87 total cpu time spent up to now is 98.4 secs Computing kpt #: 88 total cpu time spent up to now is 99.4 secs Computing kpt #: 89 total cpu time spent up to now is 100.4 secs Computing kpt #: 90 total cpu time spent up to now is 101.4 secs Computing kpt #: 91 total cpu time spent up to now is 102.4 secs Computing kpt #: 92 total cpu time spent up to now is 103.3 secs Computing kpt #: 93 total cpu time spent up to now is 104.3 secs Computing kpt #: 94 total cpu time spent up to now is 105.3 secs Computing kpt #: 95 total cpu time spent up to now is 106.2 secs Computing kpt #: 96 total cpu time spent up to now is 107.2 secs Computing kpt #: 97 total cpu time spent up to now is 108.2 secs Computing kpt #: 98 total cpu time spent up to now is 109.1 secs Computing kpt #: 99 total cpu time spent up to now is 110.1 secs Computing kpt #: 100 total cpu time spent up to now is 111.1 secs Computing kpt #: 101 total cpu time spent up to now is 112.2 secs Computing kpt #: 102 total cpu time spent up to now is 113.3 secs Computing kpt #: 103 total cpu time spent up to now is 114.2 secs Computing kpt #: 104 total cpu time spent up to now is 115.1 secs Computing kpt #: 105 total cpu time spent up to now is 116.0 secs Computing kpt #: 106 total cpu time spent up to now is 117.0 secs Computing kpt #: 107 total cpu time spent up to now is 117.9 secs Computing kpt #: 108 total cpu time spent up to now is 118.9 secs Computing kpt #: 109 total cpu time spent up to now is 119.8 secs Computing kpt #: 110 total cpu time spent up to now is 120.7 secs Computing kpt #: 111 total cpu time spent up to now is 121.6 secs Computing kpt #: 112 total cpu time spent up to now is 122.5 secs Computing kpt #: 113 total cpu time spent up to now is 123.4 secs Computing kpt #: 114 total cpu time spent up to now is 124.2 secs Computing kpt #: 115 total cpu time spent up to now is 125.1 secs Computing kpt #: 116 total cpu time spent up to now is 126.0 secs Computing kpt #: 117 total cpu time spent up to now is 126.9 secs Computing kpt #: 118 total cpu time spent up to now is 128.0 secs Computing kpt #: 119 total cpu time spent up to now is 129.1 secs Computing kpt #: 120 total cpu time spent up to now is 130.2 secs Computing kpt #: 121 total cpu time spent up to now is 131.4 secs Computing kpt #: 122 total cpu time spent up to now is 132.5 secs Computing kpt #: 123 total cpu time spent up to now is 133.7 secs Computing kpt #: 124 total cpu time spent up to now is 134.9 secs Computing kpt #: 125 total cpu time spent up to now is 136.3 secs Computing kpt #: 126 total cpu time spent up to now is 137.7 secs Computing kpt #: 127 total cpu time spent up to now is 139.2 secs Computing kpt #: 128 total cpu time spent up to now is 140.7 secs Computing kpt #: 129 total cpu time spent up to now is 141.9 secs Computing kpt #: 130 total cpu time spent up to now is 143.0 secs Computing kpt #: 131 total cpu time spent up to now is 144.1 secs Computing kpt #: 132 total cpu time spent up to now is 145.1 secs Computing kpt #: 133 total cpu time spent up to now is 146.0 secs Computing kpt #: 134 total cpu time spent up to now is 147.0 secs Computing kpt #: 135 total cpu time spent up to now is 147.9 secs Computing kpt #: 136 total cpu time spent up to now is 148.8 secs Computing kpt #: 137 total cpu time spent up to now is 149.7 secs Computing kpt #: 138 total cpu time spent up to now is 150.6 secs Computing kpt #: 139 total cpu time spent up to now is 151.5 secs Computing kpt #: 140 total cpu time spent up to now is 152.5 secs Computing kpt #: 141 total cpu time spent up to now is 153.4 secs Computing kpt #: 142 total cpu time spent up to now is 154.3 secs Computing kpt #: 143 total cpu time spent up to now is 155.3 secs Computing kpt #: 144 total cpu time spent up to now is 156.2 secs Computing kpt #: 145 total cpu time spent up to now is 157.2 secs Computing kpt #: 146 total cpu time spent up to now is 158.2 secs Computing kpt #: 147 total cpu time spent up to now is 159.4 secs Computing kpt #: 148 total cpu time spent up to now is 160.5 secs Computing kpt #: 149 total cpu time spent up to now is 161.8 secs Computing kpt #: 150 total cpu time spent up to now is 163.6 secs Computing kpt #: 151 total cpu time spent up to now is 165.8 secs Computing kpt #: 152 total cpu time spent up to now is 167.2 secs Computing kpt #: 153 total cpu time spent up to now is 168.5 secs Computing kpt #: 154 total cpu time spent up to now is 169.7 secs Computing kpt #: 155 total cpu time spent up to now is 170.9 secs Computing kpt #: 156 total cpu time spent up to now is 172.1 secs Computing kpt #: 157 total cpu time spent up to now is 173.3 secs Computing kpt #: 158 total cpu time spent up to now is 174.4 secs Computing kpt #: 159 total cpu time spent up to now is 175.6 secs Computing kpt #: 160 total cpu time spent up to now is 176.7 secs Computing kpt #: 161 total cpu time spent up to now is 177.9 secs Computing kpt #: 162 total cpu time spent up to now is 179.0 secs Computing kpt #: 163 total cpu time spent up to now is 180.2 secs Computing kpt #: 164 total cpu time spent up to now is 181.3 secs Computing kpt #: 165 total cpu time spent up to now is 182.7 secs Computing kpt #: 166 total cpu time spent up to now is 183.8 secs Computing kpt #: 167 total cpu time spent up to now is 185.0 secs Computing kpt #: 168 total cpu time spent up to now is 186.2 secs Computing kpt #: 169 total cpu time spent up to now is 187.3 secs Computing kpt #: 170 total cpu time spent up to now is 188.5 secs Computing kpt #: 171 total cpu time spent up to now is 189.6 secs Computing kpt #: 172 total cpu time spent up to now is 190.8 secs Computing kpt #: 173 total cpu time spent up to now is 191.9 secs Computing kpt #: 174 total cpu time spent up to now is 193.1 secs Computing kpt #: 175 total cpu time spent up to now is 194.2 secs Computing kpt #: 176 total cpu time spent up to now is 195.4 secs Computing kpt #: 177 total cpu time spent up to now is 197.0 secs Computing kpt #: 178 total cpu time spent up to now is 198.5 secs Computing kpt #: 179 total cpu time spent up to now is 199.9 secs Computing kpt #: 180 total cpu time spent up to now is 201.1 secs Computing kpt #: 181 total cpu time spent up to now is 202.2 secs Computing kpt #: 182 total cpu time spent up to now is 203.4 secs Computing kpt #: 183 total cpu time spent up to now is 204.5 secs Computing kpt #: 184 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 207.0 secs Computing kpt #: 185 total cpu time spent up to now is 208.8 secs Computing kpt #: 186 total cpu time spent up to now is 210.3 secs Computing kpt #: 187 total cpu time spent up to now is 211.8 secs Computing kpt #: 188 total cpu time spent up to now is 213.2 secs Computing kpt #: 189 total cpu time spent up to now is 214.4 secs Computing kpt #: 190 total cpu time spent up to now is 215.6 secs Computing kpt #: 191 total cpu time spent up to now is 216.8 secs Computing kpt #: 192 total cpu time spent up to now is 218.3 secs Computing kpt #: 193 total cpu time spent up to now is 220.0 secs Computing kpt #: 194 total cpu time spent up to now is 221.5 secs Computing kpt #: 195 total cpu time spent up to now is 222.7 secs Computing kpt #: 196 total cpu time spent up to now is 223.9 secs Computing kpt #: 197 total cpu time spent up to now is 225.1 secs Computing kpt #: 198 total cpu time spent up to now is 226.2 secs Computing kpt #: 199 total cpu time spent up to now is 227.3 secs Computing kpt #: 200 total cpu time spent up to now is 228.4 secs Computing kpt #: 201 total cpu time spent up to now is 229.4 secs Computing kpt #: 202 total cpu time spent up to now is 230.5 secs Computing kpt #: 203 total cpu time spent up to now is 231.6 secs Computing kpt #: 204 total cpu time spent up to now is 232.7 secs Computing kpt #: 205 total cpu time spent up to now is 233.7 secs Computing kpt #: 206 total cpu time spent up to now is 234.8 secs Computing kpt #: 207 total cpu time spent up to now is 235.9 secs Computing kpt #: 208 total cpu time spent up to now is 237.1 secs Computing kpt #: 209 total cpu time spent up to now is 238.2 secs Computing kpt #: 210 total cpu time spent up to now is 239.4 secs Computing kpt #: 211 total cpu time spent up to now is 240.8 secs Computing kpt #: 212 total cpu time spent up to now is 241.7 secs Computing kpt #: 213 total cpu time spent up to now is 242.6 secs Computing kpt #: 214 total cpu time spent up to now is 243.5 secs Computing kpt #: 215 total cpu time spent up to now is 244.4 secs Computing kpt #: 216 total cpu time spent up to now is 245.3 secs Computing kpt #: 217 total cpu time spent up to now is 246.1 secs Computing kpt #: 218 total cpu time spent up to now is 247.0 secs Computing kpt #: 219 total cpu time spent up to now is 247.9 secs Computing kpt #: 220 total cpu time spent up to now is 248.7 secs Computing kpt #: 221 total cpu time spent up to now is 249.6 secs Computing kpt #: 222 total cpu time spent up to now is 250.5 secs Computing kpt #: 223 total cpu time spent up to now is 251.3 secs Computing kpt #: 224 total cpu time spent up to now is 252.2 secs Computing kpt #: 225 total cpu time spent up to now is 253.1 secs Computing kpt #: 226 total cpu time spent up to now is 253.9 secs Computing kpt #: 227 total cpu time spent up to now is 254.8 secs Computing kpt #: 228 total cpu time spent up to now is 255.7 secs Computing kpt #: 229 total cpu time spent up to now is 256.6 secs Computing kpt #: 230 total cpu time spent up to now is 257.5 secs Computing kpt #: 231 total cpu time spent up to now is 258.4 secs Computing kpt #: 232 total cpu time spent up to now is 259.3 secs Computing kpt #: 233 total cpu time spent up to now is 260.2 secs Computing kpt #: 234 total cpu time spent up to now is 261.1 secs Computing kpt #: 235 total cpu time spent up to now is 262.0 secs Computing kpt #: 236 total cpu time spent up to now is 263.0 secs Computing kpt #: 237 total cpu time spent up to now is 263.9 secs Computing kpt #: 238 total cpu time spent up to now is 264.9 secs Computing kpt #: 239 total cpu time spent up to now is 266.0 secs Computing kpt #: 240 total cpu time spent up to now is 267.1 secs Computing kpt #: 241 total cpu time spent up to now is 268.0 secs Computing kpt #: 242 total cpu time spent up to now is 268.9 secs Computing kpt #: 243 total cpu time spent up to now is 270.0 secs Computing kpt #: 244 total cpu time spent up to now is 271.2 secs Computing kpt #: 245 total cpu time spent up to now is 272.3 secs Computing kpt #: 246 total cpu time spent up to now is 273.4 secs Computing kpt #: 247 total cpu time spent up to now is 274.5 secs Computing kpt #: 248 total cpu time spent up to now is 275.6 secs Computing kpt #: 249 total cpu time spent up to now is 276.7 secs Computing kpt #: 250 total cpu time spent up to now is 277.8 secs Computing kpt #: 251 total cpu time spent up to now is 278.9 secs Computing kpt #: 252 total cpu time spent up to now is 280.0 secs Computing kpt #: 253 total cpu time spent up to now is 281.1 secs Computing kpt #: 254 total cpu time spent up to now is 282.2 secs Computing kpt #: 255 total cpu time spent up to now is 283.3 secs Computing kpt #: 256 total cpu time spent up to now is 284.4 secs Computing kpt #: 257 total cpu time spent up to now is 285.5 secs Computing kpt #: 258 total cpu time spent up to now is 286.6 secs Computing kpt #: 259 total cpu time spent up to now is 287.7 secs Computing kpt #: 260 total cpu time spent up to now is 288.8 secs Computing kpt #: 261 total cpu time spent up to now is 289.9 secs Computing kpt #: 262 total cpu time spent up to now is 291.1 secs Computing kpt #: 263 total cpu time spent up to now is 292.2 secs Computing kpt #: 264 total cpu time spent up to now is 293.3 secs Computing kpt #: 265 total cpu time spent up to now is 294.4 secs Computing kpt #: 266 total cpu time spent up to now is 295.5 secs Computing kpt #: 267 total cpu time spent up to now is 296.6 secs Computing kpt #: 268 total cpu time spent up to now is 297.7 secs Computing kpt #: 269 total cpu time spent up to now is 298.8 secs Computing kpt #: 270 total cpu time spent up to now is 300.0 secs Computing kpt #: 271 total cpu time spent up to now is 301.1 secs Computing kpt #: 272 total cpu time spent up to now is 302.3 secs Computing kpt #: 273 total cpu time spent up to now is 303.4 secs Computing kpt #: 274 total cpu time spent up to now is 304.5 secs Computing kpt #: 275 total cpu time spent up to now is 305.7 secs Computing kpt #: 276 total cpu time spent up to now is 306.9 secs Computing kpt #: 277 total cpu time spent up to now is 308.0 secs Computing kpt #: 278 total cpu time spent up to now is 309.1 secs Computing kpt #: 279 total cpu time spent up to now is 310.1 secs Computing kpt #: 280 total cpu time spent up to now is 311.2 secs Computing kpt #: 281 total cpu time spent up to now is 312.3 secs Computing kpt #: 282 total cpu time spent up to now is 313.4 secs Computing kpt #: 283 total cpu time spent up to now is 314.3 secs Computing kpt #: 284 total cpu time spent up to now is 315.3 secs Computing kpt #: 285 total cpu time spent up to now is 316.2 secs Computing kpt #: 286 total cpu time spent up to now is 317.2 secs Computing kpt #: 287 total cpu time spent up to now is 318.1 secs Computing kpt #: 288 total cpu time spent up to now is 319.1 secs Computing kpt #: 289 total cpu time spent up to now is 320.1 secs Computing kpt #: 290 total cpu time spent up to now is 321.0 secs Computing kpt #: 291 total cpu time spent up to now is 322.0 secs Computing kpt #: 292 total cpu time spent up to now is 323.0 secs Computing kpt #: 293 total cpu time spent up to now is 324.0 secs Computing kpt #: 294 total cpu time spent up to now is 324.9 secs Computing kpt #: 295 total cpu time spent up to now is 326.1 secs Computing kpt #: 296 total cpu time spent up to now is 327.0 secs Computing kpt #: 297 total cpu time spent up to now is 328.0 secs Computing kpt #: 298 total cpu time spent up to now is 329.0 secs Computing kpt #: 299 total cpu time spent up to now is 330.0 secs Computing kpt #: 300 total cpu time spent up to now is 331.0 secs Computing kpt #: 301 total cpu time spent up to now is 332.0 secs Computing kpt #: 302 total cpu time spent up to now is 332.9 secs Computing kpt #: 303 total cpu time spent up to now is 333.9 secs Computing kpt #: 304 total cpu time spent up to now is 334.9 secs Computing kpt #: 305 total cpu time spent up to now is 336.5 secs Computing kpt #: 306 total cpu time spent up to now is 337.6 secs Computing kpt #: 307 total cpu time spent up to now is 338.6 secs Computing kpt #: 308 total cpu time spent up to now is 339.7 secs Computing kpt #: 309 total cpu time spent up to now is 340.8 secs Computing kpt #: 310 total cpu time spent up to now is 341.9 secs Computing kpt #: 311 total cpu time spent up to now is 343.0 secs Computing kpt #: 312 total cpu time spent up to now is 344.5 secs Computing kpt #: 313 total cpu time spent up to now is 345.8 secs Computing kpt #: 314 total cpu time spent up to now is 346.9 secs Computing kpt #: 315 total cpu time spent up to now is 348.0 secs Computing kpt #: 316 total cpu time spent up to now is 349.2 secs Computing kpt #: 317 total cpu time spent up to now is 350.4 secs Computing kpt #: 318 total cpu time spent up to now is 351.6 secs Computing kpt #: 319 total cpu time spent up to now is 353.2 secs Computing kpt #: 320 total cpu time spent up to now is 354.7 secs Computing kpt #: 321 total cpu time spent up to now is 355.8 secs Computing kpt #: 322 total cpu time spent up to now is 357.1 secs Computing kpt #: 323 total cpu time spent up to now is 358.2 secs Computing kpt #: 324 total cpu time spent up to now is 359.3 secs Computing kpt #: 325 total cpu time spent up to now is 360.5 secs Computing kpt #: 326 total cpu time spent up to now is 361.6 secs Computing kpt #: 327 total cpu time spent up to now is 362.8 secs Computing kpt #: 328 total cpu time spent up to now is 363.9 secs Computing kpt #: 329 total cpu time spent up to now is 365.0 secs Computing kpt #: 330 total cpu time spent up to now is 366.1 secs Computing kpt #: 331 total cpu time spent up to now is 367.2 secs Computing kpt #: 332 total cpu time spent up to now is 368.4 secs Computing kpt #: 333 total cpu time spent up to now is 369.3 secs Computing kpt #: 334 total cpu time spent up to now is 370.4 secs Computing kpt #: 335 total cpu time spent up to now is 371.5 secs Computing kpt #: 336 total cpu time spent up to now is 372.4 secs Computing kpt #: 337 total cpu time spent up to now is 373.4 secs Computing kpt #: 338 total cpu time spent up to now is 374.3 secs Computing kpt #: 339 total cpu time spent up to now is 375.8 secs Computing kpt #: 340 total cpu time spent up to now is 377.0 secs Computing kpt #: 341 total cpu time spent up to now is 378.2 secs Computing kpt #: 342 total cpu time spent up to now is 379.3 secs ethr = 2.78E-08, avg # of iterations = 26.5 total cpu time spent up to now is 379.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 11763 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3714 -98.3714 -98.2715 -98.2715 -98.2715 -98.2715 -8.0056 -8.0056 -5.6400 -5.6400 -5.0469 -5.0469 -4.7573 -4.7573 -3.4649 -3.4649 -3.4388 -3.4388 -3.0866 -3.0866 -2.2939 -2.2939 -2.1730 -2.1730 -2.0752 -2.0752 -2.0698 -2.0698 -1.9074 -1.9074 4.5633 4.5633 4.7589 4.7589 5.0482 5.0482 6.3427 6.3427 k =-0.0065 0.0067 0.0171 ( 11763 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3715 -98.3715 -98.2715 -98.2715 -98.2715 -98.2715 -8.0045 -8.0045 -5.6391 -5.6391 -5.0462 -5.0462 -4.7568 -4.7568 -3.4642 -3.4642 -3.4388 -3.4388 -3.0868 -3.0868 -2.2961 -2.2961 -2.1727 -2.1727 -2.0793 -2.0793 -2.0719 -2.0719 -1.9092 -1.9092 4.5655 4.5655 4.7635 4.7635 5.0540 5.0540 6.3446 6.3446 k =-0.0129 0.0133 0.0342 ( 11769 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3715 -98.3715 -98.2715 -98.2715 -98.2715 -98.2715 -8.0014 -8.0014 -5.6363 -5.6363 -5.0442 -5.0442 -4.7550 -4.7550 -3.4620 -3.4620 -3.4388 -3.4388 -3.0872 -3.0872 -2.3025 -2.3025 -2.1717 -2.1717 -2.0904 -2.0904 -2.0791 -2.0791 -1.9148 -1.9148 4.5722 4.5722 4.7773 4.7773 5.0715 5.0715 6.3500 6.3500 k =-0.0194 0.0200 0.0513 ( 11783 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3715 -98.3715 -98.2715 -98.2715 -98.2715 -98.2715 -7.9963 -7.9963 -5.6316 -5.6316 -5.0408 -5.0408 -4.7521 -4.7521 -3.4584 -3.4584 -3.4388 -3.4388 -3.0880 -3.0880 -2.3131 -2.3131 -2.1701 -2.1701 -2.1080 -2.1080 -2.0918 -2.0918 -1.9241 -1.9241 4.5831 4.5831 4.8001 4.8001 5.1005 5.1005 6.3591 6.3591 k =-0.0258 0.0266 0.0685 ( 11787 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3715 -98.3715 -98.2715 -98.2715 -98.2715 -98.2715 -7.9890 -7.9890 -5.6251 -5.6251 -5.0362 -5.0362 -4.7481 -4.7481 -3.4533 -3.4533 -3.4390 -3.4390 -3.0893 -3.0893 -2.3277 -2.3277 -2.1679 -2.1679 -2.1315 -2.1315 -2.1101 -2.1101 -1.9370 -1.9370 4.5981 4.5981 4.8317 4.8317 5.1408 5.1408 6.3715 6.3715 k =-0.0323 0.0333 0.0856 ( 11787 PWs) bands (ev): -98.3732 -98.3732 -98.3731 -98.3731 -98.3715 -98.3715 -98.3715 -98.3715 -98.2715 -98.2715 -98.2715 -98.2715 -7.9797 -7.9797 -5.6167 -5.6167 -5.0302 -5.0302 -4.7430 -4.7430 -3.4467 -3.4467 -3.4394 -3.4394 -3.0912 -3.0912 -2.3459 -2.3459 -2.1650 -2.1650 -2.1607 -2.1607 -2.1335 -2.1335 -1.9535 -1.9535 4.6171 4.6171 4.8716 4.8716 5.1921 5.1921 6.3872 6.3872 k =-0.0387 0.0399 0.1027 ( 11771 PWs) bands (ev): -98.3732 -98.3732 -98.3731 -98.3731 -98.3715 -98.3715 -98.3715 -98.3715 -98.2715 -98.2715 -98.2715 -98.2715 -7.9684 -7.9684 -5.6065 -5.6065 -5.0229 -5.0229 -4.7369 -4.7369 -3.4402 -3.4402 -3.4388 -3.4388 -3.0939 -3.0939 -2.3673 -2.3673 -2.1953 -2.1953 -2.1616 -2.1616 -2.1615 -2.1615 -1.9734 -1.9734 4.6397 4.6397 4.9196 4.9196 5.2541 5.2541 6.4058 6.4058 k =-0.0452 0.0466 0.1198 ( 11771 PWs) bands (ev): -98.3732 -98.3732 -98.3731 -98.3731 -98.3715 -98.3715 -98.3715 -98.3715 -98.2715 -98.2715 -98.2715 -98.2715 -7.9550 -7.9550 -5.5944 -5.5944 -5.0143 -5.0143 -4.7298 -4.7298 -3.4417 -3.4417 -3.4294 -3.4294 -3.0978 -3.0978 -2.3915 -2.3915 -2.2349 -2.2349 -2.1939 -2.1939 -2.1574 -2.1574 -1.9967 -1.9967 4.6657 4.6657 4.9751 4.9751 5.3263 5.3263 6.4265 6.4265 k =-0.0516 0.0533 0.1369 ( 11757 PWs) bands (ev): -98.3732 -98.3732 -98.3731 -98.3731 -98.3715 -98.3715 -98.3715 -98.3715 -98.2715 -98.2715 -98.2715 -98.2715 -7.9396 -7.9396 -5.5804 -5.5804 -5.0045 -5.0045 -4.7217 -4.7217 -3.4441 -3.4441 -3.4186 -3.4186 -3.1032 -3.1032 -2.4179 -2.4179 -2.2790 -2.2790 -2.2298 -2.2298 -2.1527 -2.1527 -2.0231 -2.0231 4.6945 4.6945 5.0374 5.0374 5.4082 5.4082 6.4485 6.4485 k =-0.0581 0.0599 0.1540 ( 11757 PWs) bands (ev): -98.3732 -98.3732 -98.3731 -98.3731 -98.3715 -98.3715 -98.3715 -98.3715 -98.2715 -98.2715 -98.2715 -98.2715 -7.9222 -7.9222 -5.5646 -5.5646 -4.9935 -4.9935 -4.7128 -4.7128 -3.4477 -3.4477 -3.4065 -3.4065 -3.1105 -3.1105 -2.4457 -2.4457 -2.3273 -2.3273 -2.2686 -2.2686 -2.1474 -2.1474 -2.0526 -2.0526 4.7260 4.7260 5.1058 5.1058 5.4995 5.4995 6.4698 6.4698 k =-0.0645 0.0666 0.1711 ( 11769 PWs) bands (ev): -98.3732 -98.3732 -98.3731 -98.3731 -98.3715 -98.3715 -98.3715 -98.3715 -98.2715 -98.2715 -98.2715 -98.2715 -7.9027 -7.9027 -5.5470 -5.5470 -4.9814 -4.9814 -4.7031 -4.7031 -3.4530 -3.4530 -3.3930 -3.3930 -3.1204 -3.1204 -2.4741 -2.4741 -2.3792 -2.3792 -2.3094 -2.3094 -2.1417 -2.1417 -2.0850 -2.0850 4.7594 4.7594 5.1796 5.1796 5.5995 5.5995 6.4873 6.4873 k =-0.0710 0.0732 0.1882 ( 11765 PWs) bands (ev): -98.3731 -98.3731 -98.3731 -98.3731 -98.3716 -98.3716 -98.3715 -98.3715 -98.2715 -98.2715 -98.2715 -98.2715 -7.8813 -7.8813 -5.5276 -5.5276 -4.9681 -4.9681 -4.6928 -4.6928 -3.4603 -3.4603 -3.3782 -3.3782 -3.1333 -3.1333 -2.5024 -2.5024 -2.4342 -2.4342 -2.3513 -2.3513 -2.1354 -2.1354 -2.1200 -2.1200 4.7945 4.7945 5.2579 5.2579 5.7076 5.7076 6.4966 6.4966 k =-0.0774 0.0799 0.2054 ( 11761 PWs) bands (ev): -98.3731 -98.3731 -98.3731 -98.3731 -98.3716 -98.3716 -98.3715 -98.3715 -98.2715 -98.2715 -98.2715 -98.2715 -7.8578 -7.8578 -5.5063 -5.5063 -4.9538 -4.9538 -4.6819 -4.6819 -3.4704 -3.4704 -3.3621 -3.3621 -3.1501 -3.1501 -2.5294 -2.5294 -2.4918 -2.4918 -2.3936 -2.3936 -2.1574 -2.1574 -2.1286 -2.1286 4.8306 4.8306 5.3395 5.3395 5.8231 5.8231 6.4927 6.4927 k =-0.0839 0.0865 0.2225 ( 11769 PWs) bands (ev): -98.3731 -98.3731 -98.3730 -98.3730 -98.3716 -98.3716 -98.3716 -98.3716 -98.2715 -98.2715 -98.2715 -98.2715 -7.8324 -7.8324 -5.4833 -5.4833 -4.9385 -4.9385 -4.6708 -4.6708 -3.4838 -3.4838 -3.3447 -3.3447 -3.1712 -3.1712 -2.5544 -2.5544 -2.5514 -2.5514 -2.4350 -2.4350 -2.1972 -2.1972 -2.1214 -2.1214 4.8672 4.8672 5.4234 5.4234 5.9452 5.9452 6.4745 6.4745 k =-0.0903 0.0932 0.2396 ( 11769 PWs) bands (ev): -98.3731 -98.3731 -98.3730 -98.3730 -98.3716 -98.3716 -98.3716 -98.3716 -98.2715 -98.2715 -98.2715 -98.2715 -7.8051 -7.8051 -5.4585 -5.4585 -4.9222 -4.9222 -4.6594 -4.6594 -3.5010 -3.5010 -3.3261 -3.3261 -3.1972 -3.1972 -2.6126 -2.6126 -2.5764 -2.5764 -2.4746 -2.4746 -2.2389 -2.2389 -2.1138 -2.1138 4.9037 4.9037 5.5083 5.5083 6.0730 6.0730 6.4452 6.4452 k =-0.0968 0.0999 0.2567 ( 11765 PWs) bands (ev): -98.3731 -98.3731 -98.3730 -98.3730 -98.3716 -98.3716 -98.3716 -98.3716 -98.2715 -98.2715 -98.2715 -98.2715 -7.7758 -7.7758 -5.4319 -5.4319 -4.9052 -4.9052 -4.6482 -4.6482 -3.5229 -3.5229 -3.3063 -3.3063 -3.2286 -3.2286 -2.6747 -2.6747 -2.5949 -2.5949 -2.5115 -2.5115 -2.2824 -2.2824 -2.1057 -2.1057 4.9394 4.9394 5.5926 5.5926 6.2050 6.2050 6.4099 6.4099 k =-0.1033 0.1065 0.2738 ( 11757 PWs) bands (ev): -98.3731 -98.3731 -98.3730 -98.3730 -98.3716 -98.3716 -98.3716 -98.3716 -98.2715 -98.2715 -98.2715 -98.2715 -7.7446 -7.7446 -5.4036 -5.4036 -4.8873 -4.8873 -4.6372 -4.6372 -3.5499 -3.5499 -3.2853 -3.2853 -3.2653 -3.2653 -2.7371 -2.7371 -2.6094 -2.6094 -2.5446 -2.5446 -2.3274 -2.3274 -2.0974 -2.0974 4.9736 4.9736 5.6745 5.6745 6.3388 6.3388 6.3728 6.3728 k =-0.1097 0.1132 0.2909 ( 11743 PWs) bands (ev): -98.3730 -98.3730 -98.3730 -98.3730 -98.3717 -98.3717 -98.3716 -98.3716 -98.2715 -98.2715 -98.2715 -98.2715 -7.7116 -7.7116 -5.3736 -5.3736 -4.8689 -4.8689 -4.6269 -4.6269 -3.5825 -3.5825 -3.3072 -3.3072 -3.2633 -3.2633 -2.7994 -2.7994 -2.6199 -2.6199 -2.5733 -2.5733 -2.3737 -2.3737 -2.0887 -2.0887 5.0057 5.0057 5.7521 5.7521 6.3368 6.3368 6.4700 6.4700 k =-0.1162 0.1198 0.3080 ( 11763 PWs) bands (ev): -98.3730 -98.3730 -98.3729 -98.3729 -98.3717 -98.3717 -98.3717 -98.3717 -98.2715 -98.2715 -98.2715 -98.2715 -7.6767 -7.6767 -5.3418 -5.3418 -4.8499 -4.8499 -4.6175 -4.6175 -3.6210 -3.6210 -3.3539 -3.3539 -3.2402 -3.2402 -2.8608 -2.8608 -2.6266 -2.6266 -2.5969 -2.5969 -2.4209 -2.4209 -2.0798 -2.0798 5.0350 5.0350 5.8229 5.8229 6.3037 6.3037 6.5893 6.5893 k =-0.1226 0.1265 0.3251 ( 11759 PWs) bands (ev): -98.3730 -98.3730 -98.3729 -98.3729 -98.3717 -98.3717 -98.3717 -98.3717 -98.2715 -98.2715 -98.2715 -98.2715 -7.6400 -7.6400 -5.3085 -5.3085 -4.8306 -4.8306 -4.6095 -4.6095 -3.6653 -3.6653 -3.4048 -3.4048 -3.2160 -3.2160 -2.9207 -2.9207 -2.6296 -2.6296 -2.6151 -2.6151 -2.4688 -2.4688 -2.0706 -2.0706 5.0606 5.0606 5.8842 5.8842 6.2752 6.2752 6.6677 6.6677 k =-0.1291 0.1331 0.3423 ( 11771 PWs) bands (ev): -98.3730 -98.3730 -98.3729 -98.3729 -98.3717 -98.3717 -98.3717 -98.3717 -98.2715 -98.2715 -98.2715 -98.2715 -7.6015 -7.6015 -5.2735 -5.2735 -4.8110 -4.8110 -4.6033 -4.6033 -3.7153 -3.7153 -3.4592 -3.4592 -3.1909 -3.1909 -2.9784 -2.9784 -2.6294 -2.6294 -2.6280 -2.6280 -2.5171 -2.5171 -2.0613 -2.0613 5.0820 5.0820 5.9331 5.9331 6.2522 6.2522 6.6150 6.6151 k =-0.1355 0.1398 0.3594 ( 11777 PWs) bands (ev): -98.3729 -98.3729 -98.3729 -98.3729 -98.3718 -98.3718 -98.3717 -98.3717 -98.2715 -98.2715 -98.2715 -98.2715 -7.5613 -7.5613 -5.2369 -5.2369 -4.7913 -4.7913 -4.5994 -4.5994 -3.7704 -3.7704 -3.5166 -3.5166 -3.1650 -3.1650 -3.0332 -3.0332 -2.6358 -2.6358 -2.6264 -2.6264 -2.5654 -2.5654 -2.0518 -2.0518 5.0985 5.0985 5.9664 5.9664 6.2357 6.2357 6.5618 6.5618 k =-0.1420 0.1465 0.3765 ( 11791 PWs) bands (ev): -98.3729 -98.3729 -98.3728 -98.3728 -98.3718 -98.3718 -98.3718 -98.3718 -98.2715 -98.2715 -98.2715 -98.2715 -7.5194 -7.5194 -5.1989 -5.1989 -4.7718 -4.7718 -4.5983 -4.5983 -3.8303 -3.8303 -3.5763 -3.5763 -3.1381 -3.1381 -3.0845 -3.0845 -2.6386 -2.6386 -2.6209 -2.6209 -2.6134 -2.6134 -2.0423 -2.0423 5.1098 5.1098 5.9818 5.9818 6.2261 6.2261 6.5079 6.5079 k =-0.1484 0.1531 0.3936 ( 11791 PWs) bands (ev): -98.3729 -98.3729 -98.3728 -98.3728 -98.3718 -98.3718 -98.3718 -98.3718 -98.2715 -98.2715 -98.2715 -98.2715 -7.4759 -7.4759 -5.1595 -5.1595 -4.7526 -4.7526 -4.6006 -4.6006 -3.8942 -3.8942 -3.6376 -3.6376 -3.1314 -3.1314 -3.1105 -3.1105 -2.6608 -2.6608 -2.6371 -2.6371 -2.6133 -2.6133 -2.0327 -2.0327 5.1158 5.1158 5.9780 5.9780 6.2236 6.2236 6.4534 6.4534 k =-0.1549 0.1598 0.4107 ( 11795 PWs) bands (ev): -98.3729 -98.3729 -98.3728 -98.3728 -98.3718 -98.3718 -98.3718 -98.3718 -98.2715 -98.2715 -98.2715 -98.2715 -7.4309 -7.4309 -5.1187 -5.1187 -4.7340 -4.7340 -4.6068 -4.6068 -3.9616 -3.9616 -3.6999 -3.6999 -3.1733 -3.1733 -3.0822 -3.0822 -2.7073 -2.7073 -2.6315 -2.6315 -2.6040 -2.6040 -2.0231 -2.0231 5.1165 5.1165 5.9560 5.9560 6.2282 6.2282 6.3982 6.3982 k =-0.1613 0.1664 0.4278 ( 11799 PWs) bands (ev): -98.3728 -98.3728 -98.3728 -98.3728 -98.3719 -98.3719 -98.3719 -98.3719 -98.2715 -98.2715 -98.2715 -98.2715 -7.3843 -7.3843 -5.0767 -5.0767 -4.7162 -4.7162 -4.6174 -4.6174 -4.0318 -4.0318 -3.7628 -3.7628 -3.2095 -3.2095 -3.0533 -3.0533 -2.7523 -2.7523 -2.6225 -2.6225 -2.5931 -2.5931 -2.0135 -2.0135 5.1124 5.1124 5.9185 5.9185 6.2394 6.2394 6.3269 6.3269 k =-0.1678 0.1731 0.4449 ( 11809 PWs) bands (ev): -98.3728 -98.3728 -98.3727 -98.3727 -98.3719 -98.3719 -98.3719 -98.3719 -98.2715 -98.2715 -98.2715 -98.2715 -7.3364 -7.3364 -5.0338 -5.0338 -4.6996 -4.6996 -4.6329 -4.6329 -4.1043 -4.1043 -3.8255 -3.8255 -3.2395 -3.2395 -3.0237 -3.0237 -2.7956 -2.7956 -2.6104 -2.6104 -2.5809 -2.5809 -2.0040 -2.0040 5.1040 5.1040 5.8692 5.8692 6.2565 6.2565 6.2704 6.2704 k =-0.1742 0.1797 0.4620 ( 11803 PWs) bands (ev): -98.3728 -98.3728 -98.3727 -98.3727 -98.3719 -98.3719 -98.3719 -98.3719 -98.2715 -98.2715 -98.2715 -98.2715 -7.2871 -7.2871 -4.9900 -4.9900 -4.6844 -4.6844 -4.6534 -4.6534 -4.1786 -4.1786 -3.8876 -3.8876 -3.2629 -3.2629 -2.9937 -2.9937 -2.8366 -2.8366 -2.5956 -2.5956 -2.5676 -2.5676 -1.9947 -1.9947 5.0922 5.0922 5.8118 5.8118 6.2159 6.2159 6.2297 6.2297 k =-0.1807 0.1864 0.4792 ( 11781 PWs) bands (ev): -98.3727 -98.3727 -98.3727 -98.3727 -98.3720 -98.3720 -98.3719 -98.3719 -98.2715 -98.2715 -98.2715 -98.2715 -7.2366 -7.2366 -4.9458 -4.9458 -4.6792 -4.6792 -4.6710 -4.6710 -4.2541 -4.2541 -3.9484 -3.9484 -3.2796 -3.2796 -2.9633 -2.9633 -2.8751 -2.8751 -2.5785 -2.5785 -2.5534 -2.5534 -1.9855 -1.9855 5.0775 5.0775 5.7493 5.7493 6.1637 6.1637 6.1729 6.1729 k =-0.1872 0.1931 0.4963 ( 11789 PWs) bands (ev): -98.3727 -98.3727 -98.3726 -98.3726 -98.3720 -98.3720 -98.3720 -98.3720 -98.2715 -98.2715 -98.2715 -98.2715 -7.1850 -7.1850 -4.9015 -4.9015 -4.7101 -4.7101 -4.6596 -4.6596 -4.3306 -4.3306 -4.0070 -4.0070 -3.2896 -3.2896 -2.9325 -2.9325 -2.9105 -2.9105 -2.5593 -2.5593 -2.5384 -2.5384 -1.9766 -1.9766 5.0610 5.0610 5.6840 5.6840 6.1140 6.1140 6.1159 6.1159 k =-0.1936 0.1997 0.5134 ( 11789 PWs) bands (ev): -98.3727 -98.3727 -98.3726 -98.3726 -98.3720 -98.3720 -98.3720 -98.3720 -98.2715 -98.2715 -98.2715 -98.2715 -7.1325 -7.1325 -4.8580 -4.8580 -4.7459 -4.7459 -4.6507 -4.6507 -4.4077 -4.4077 -4.0626 -4.0626 -3.2929 -3.2929 -2.9425 -2.9425 -2.9014 -2.9014 -2.5385 -2.5385 -2.5227 -2.5227 -1.9679 -1.9679 5.0431 5.0431 5.6175 5.6175 6.0588 6.0588 6.0670 6.0670 k =-0.2001 0.2064 0.5305 ( 11777 PWs) bands (ev): -98.3726 -98.3726 -98.3726 -98.3726 -98.3721 -98.3721 -98.3720 -98.3720 -98.2715 -98.2715 -98.2715 -98.2715 -7.0791 -7.0791 -4.8160 -4.8160 -4.7862 -4.7862 -4.6446 -4.6446 -4.4851 -4.4851 -4.1138 -4.1138 -3.2900 -3.2900 -2.9706 -2.9706 -2.8702 -2.8702 -2.5161 -2.5161 -2.5065 -2.5065 -1.9595 -1.9595 5.0247 5.0247 5.5511 5.5511 6.0020 6.0020 6.0229 6.0229 k =-0.2065 0.2130 0.5476 ( 11773 PWs) bands (ev): -98.3726 -98.3726 -98.3725 -98.3725 -98.3721 -98.3721 -98.3721 -98.3721 -98.2715 -98.2715 -98.2715 -98.2715 -7.0252 -7.0252 -4.8305 -4.8305 -4.7772 -4.7772 -4.6415 -4.6415 -4.5625 -4.5625 -4.1589 -4.1589 -3.2813 -3.2813 -2.9945 -2.9945 -2.8389 -2.8389 -2.4925 -2.4925 -2.4899 -2.4899 -1.9514 -1.9514 5.0063 5.0063 5.4856 5.4856 5.9454 5.9454 5.9820 5.9820 k =-0.2130 0.2197 0.5647 ( 11777 PWs) bands (ev): -98.3726 -98.3726 -98.3725 -98.3725 -98.3721 -98.3721 -98.3721 -98.3721 -98.2715 -98.2715 -98.2715 -98.2715 -6.9708 -6.9708 -4.8783 -4.8783 -4.7435 -4.7435 -4.6418 -4.6418 -4.6397 -4.6397 -4.1954 -4.1954 -3.2673 -3.2673 -3.0139 -3.0139 -2.8076 -2.8076 -2.4728 -2.4728 -2.4677 -2.4677 -1.9436 -1.9436 4.9884 4.9884 5.4218 5.4218 5.8893 5.8893 5.9443 5.9443 k =-0.2194 0.2263 0.5818 ( 11775 PWs) bands (ev): -98.3725 -98.3725 -98.3725 -98.3725 -98.3722 -98.3722 -98.3721 -98.3721 -98.2715 -98.2715 -98.2715 -98.2715 -6.9162 -6.9162 -4.9290 -4.9290 -4.7179 -4.7179 -4.7164 -4.7164 -4.6456 -4.6456 -4.2205 -4.2205 -3.2486 -3.2486 -3.0285 -3.0285 -2.7764 -2.7764 -2.4556 -2.4556 -2.4421 -2.4421 -1.9362 -1.9362 4.9713 4.9713 5.3600 5.3600 5.8338 5.8338 5.9100 5.9100 k =-0.2259 0.2330 0.5989 ( 11763 PWs) bands (ev): -98.3725 -98.3725 -98.3724 -98.3724 -98.3722 -98.3722 -98.3722 -98.3722 -98.2715 -98.2715 -98.2715 -98.2715 -6.8617 -6.8617 -4.9821 -4.9821 -4.7926 -4.7926 -4.7029 -4.7029 -4.6530 -4.6530 -4.2308 -4.2308 -3.2256 -3.2256 -3.0381 -3.0381 -2.7453 -2.7453 -2.4381 -2.4381 -2.4156 -2.4156 -1.9292 -1.9292 4.9556 4.9556 5.3007 5.3007 5.7791 5.7791 5.8794 5.8794 k =-0.2323 0.2397 0.6161 ( 11773 PWs) bands (ev): -98.3725 -98.3725 -98.3724 -98.3724 -98.3722 -98.3722 -98.3722 -98.3722 -98.2715 -98.2715 -98.2715 -98.2715 -6.8076 -6.8076 -5.0371 -5.0371 -4.8681 -4.8681 -4.7002 -4.7002 -4.6641 -4.6641 -4.2246 -4.2246 -3.1990 -3.1990 -3.0428 -3.0428 -2.7146 -2.7146 -2.4205 -2.4205 -2.3886 -2.3886 -1.9227 -1.9227 4.9414 4.9414 5.2441 5.2441 5.7253 5.7253 5.8525 5.8525 k =-0.2388 0.2463 0.6332 ( 11773 PWs) bands (ev): -98.3724 -98.3724 -98.3724 -98.3724 -98.3723 -98.3723 -98.3722 -98.3722 -98.2715 -98.2715 -98.2715 -98.2715 -6.7543 -6.7543 -5.0935 -5.0935 -4.9427 -4.9427 -4.7085 -4.7085 -4.6789 -4.6789 -4.2027 -4.2027 -3.1691 -3.1691 -3.0425 -3.0425 -2.6842 -2.6842 -2.4028 -2.4028 -2.3610 -2.3610 -1.9165 -1.9165 4.9290 4.9290 5.1906 5.1906 5.6727 5.6727 5.8296 5.8296 k =-0.2452 0.2530 0.6503 ( 11791 PWs) bands (ev): -98.3724 -98.3724 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.2715 -98.2715 -98.2715 -98.2715 -6.7022 -6.7022 -5.1509 -5.1509 -5.0163 -5.0163 -4.7248 -4.7248 -4.6971 -4.6971 -4.1678 -4.1678 -3.1365 -3.1365 -3.0374 -3.0374 -2.6542 -2.6542 -2.3852 -2.3852 -2.3329 -2.3329 -1.9107 -1.9107 4.9186 4.9186 5.1401 5.1401 5.6213 5.6213 5.8107 5.8107 k =-0.2517 0.2596 0.6674 ( 11781 PWs) bands (ev): -98.3724 -98.3724 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.2715 -98.2715 -98.2715 -98.2715 -6.6518 -6.6518 -5.2090 -5.2090 -5.0888 -5.0888 -4.7454 -4.7454 -4.7186 -4.7186 -4.1229 -4.1229 -3.1016 -3.1016 -3.0276 -3.0276 -2.6248 -2.6248 -2.3676 -2.3676 -2.3046 -2.3046 -1.9054 -1.9054 4.9104 4.9104 5.0930 5.0930 5.5713 5.5713 5.7960 5.7960 k =-0.2581 0.2663 0.6845 ( 11777 PWs) bands (ev): -98.3724 -98.3724 -98.3724 -98.3724 -98.3723 -98.3723 -98.3723 -98.3723 -98.2715 -98.2715 -98.2715 -98.2715 -6.6035 -6.6035 -5.2673 -5.2673 -5.1602 -5.1602 -4.7671 -4.7671 -4.7431 -4.7431 -4.0709 -4.0709 -3.0646 -3.0646 -3.0135 -3.0135 -2.5960 -2.5960 -2.3501 -2.3501 -2.2761 -2.2761 -1.9005 -1.9005 4.9045 4.9045 5.0493 5.0493 5.5228 5.5228 5.7855 5.7855 k =-0.2646 0.2729 0.7016 ( 11781 PWs) bands (ev): -98.3724 -98.3724 -98.3724 -98.3724 -98.3723 -98.3723 -98.3722 -98.3722 -98.2715 -98.2715 -98.2715 -98.2715 -6.5580 -6.5580 -5.3257 -5.3257 -5.2302 -5.2302 -4.7875 -4.7875 -4.7702 -4.7702 -4.0136 -4.0136 -3.0260 -3.0260 -2.9953 -2.9953 -2.5680 -2.5680 -2.3328 -2.3328 -2.2474 -2.2474 -1.8960 -1.8960 4.9011 4.9011 5.0090 5.0090 5.4760 5.4760 5.7795 5.8120 k =-0.2710 0.2796 0.7187 ( 11769 PWs) bands (ev): -98.3724 -98.3724 -98.3724 -98.3724 -98.3722 -98.3722 -98.3722 -98.3722 -98.2715 -98.2715 -98.2715 -98.2715 -6.5159 -6.5159 -5.3839 -5.3839 -5.2990 -5.2990 -4.8047 -4.8047 -4.7997 -4.7997 -3.9524 -3.9524 -2.9861 -2.9861 -2.9735 -2.9735 -2.5407 -2.5407 -2.3156 -2.3156 -2.2186 -2.2186 -1.8919 -1.8919 4.9002 4.9002 4.9723 4.9723 5.4311 5.4311 5.7640 5.7640 k =-0.2775 0.2863 0.7359 ( 11789 PWs) bands (ev): -98.3725 -98.3725 -98.3725 -98.3725 -98.3722 -98.3722 -98.3722 -98.3722 -98.2715 -98.2715 -98.2715 -98.2715 -6.4778 -6.4778 -5.4416 -5.4416 -5.3662 -5.3662 -4.8313 -4.8313 -4.8173 -4.8173 -3.8882 -3.8882 -2.9483 -2.9483 -2.9451 -2.9451 -2.5143 -2.5143 -2.2987 -2.2987 -2.1899 -2.1899 -1.8882 -1.8882 4.9019 4.9019 4.9392 4.9392 5.3881 5.3881 5.7178 5.7178 k =-0.2840 0.2929 0.7530 ( 11795 PWs) bands (ev): -98.3725 -98.3725 -98.3725 -98.3725 -98.3722 -98.3722 -98.3721 -98.3721 -98.2715 -98.2715 -98.2715 -98.2715 -6.4442 -6.4442 -5.4987 -5.4987 -5.4321 -5.4321 -4.8644 -4.8644 -4.8241 -4.8241 -3.8215 -3.8215 -2.9202 -2.9202 -2.9034 -2.9034 -2.4889 -2.4889 -2.2821 -2.2821 -2.1611 -2.1611 -1.8849 -1.8849 4.9062 4.9062 4.9097 4.9097 5.3472 5.3472 5.6738 5.6738 k =-0.2904 0.2996 0.7701 ( 11791 PWs) bands (ev): -98.3726 -98.3726 -98.3725 -98.3725 -98.3721 -98.3721 -98.3721 -98.3721 -98.2715 -98.2715 -98.2715 -98.2715 -6.4157 -6.4157 -5.5551 -5.5551 -5.4963 -5.4963 -4.8990 -4.8990 -4.8244 -4.8244 -3.7529 -3.7529 -2.8896 -2.8896 -2.8611 -2.8611 -2.4646 -2.4646 -2.2658 -2.2658 -2.1325 -2.1325 -1.8818 -1.8818 4.8837 4.8837 4.9133 4.9133 5.3085 5.3085 5.6320 5.6320 k =-0.2969 0.3062 0.7872 ( 11793 PWs) bands (ev): -98.3726 -98.3726 -98.3726 -98.3726 -98.3721 -98.3721 -98.3721 -98.3721 -98.2715 -98.2715 -98.2715 -98.2715 -6.3926 -6.3926 -5.6106 -5.6106 -5.5590 -5.5590 -4.9345 -4.9345 -4.8175 -4.8175 -3.6826 -3.6826 -2.8567 -2.8567 -2.8186 -2.8186 -2.4413 -2.4413 -2.2498 -2.2498 -2.1040 -2.1040 -1.8791 -1.8791 4.8613 4.8613 4.9229 4.9229 5.2720 5.2720 5.5927 5.5927 k =-0.3033 0.3129 0.8043 ( 11805 PWs) bands (ev): -98.3726 -98.3726 -98.3726 -98.3726 -98.3721 -98.3721 -98.3720 -98.3720 -98.2715 -98.2715 -98.2715 -98.2715 -6.3752 -6.3752 -5.6650 -5.6650 -5.6201 -5.6201 -4.9707 -4.9707 -4.8031 -4.8031 -3.6111 -3.6111 -2.8220 -2.8220 -2.7760 -2.7760 -2.4191 -2.4191 -2.2341 -2.2341 -2.0756 -2.0756 -1.8766 -1.8766 4.8424 4.8424 4.9353 4.9353 5.2379 5.2379 5.5561 5.5561 k =-0.3033 0.3129 0.8043 ( 11805 PWs) bands (ev): -98.3726 -98.3726 -98.3726 -98.3726 -98.3721 -98.3721 -98.3720 -98.3720 -98.2715 -98.2715 -98.2715 -98.2715 -6.3752 -6.3752 -5.6650 -5.6650 -5.6201 -5.6201 -4.9707 -4.9707 -4.8031 -4.8031 -3.6111 -3.6111 -2.8220 -2.8220 -2.7760 -2.7760 -2.4191 -2.4191 -2.2341 -2.2341 -2.0756 -2.0756 -1.8766 -1.8766 4.8424 4.8424 4.9353 4.9353 5.2379 5.2379 5.5561 5.5561 k =-0.2919 0.3011 0.8132 ( 11794 PWs) bands (ev): -98.3726 -98.3726 -98.3726 -98.3726 -98.3721 -98.3721 -98.3720 -98.3720 -98.2715 -98.2715 -98.2715 -98.2715 -6.3742 -6.3742 -5.6724 -5.6724 -5.6193 -5.6193 -4.9624 -4.9624 -4.8023 -4.8023 -3.6126 -3.6126 -2.8446 -2.8446 -2.7541 -2.7541 -2.4189 -2.4189 -2.2339 -2.2339 -2.0757 -2.0757 -1.8789 -1.8789 4.8409 4.8409 4.9321 4.9321 5.2202 5.2202 5.5766 5.5766 k =-0.2805 0.2894 0.8220 ( 11801 PWs) bands (ev): -98.3726 -98.3726 -98.3726 -98.3726 -98.3721 -98.3721 -98.3720 -98.3720 -98.2715 -98.2715 -98.2715 -98.2715 -6.3715 -6.3715 -5.6935 -5.6935 -5.6171 -5.6171 -4.9383 -4.9383 -4.7997 -4.7997 -3.6173 -3.6173 -2.8816 -2.8816 -2.7195 -2.7195 -2.4181 -2.4181 -2.2332 -2.2332 -2.0761 -2.0761 -1.8855 -1.8855 4.8363 4.8363 4.9228 4.9228 5.1774 5.1774 5.6281 5.6281 k =-0.2691 0.2776 0.8309 ( 11797 PWs) bands (ev): -98.3726 -98.3726 -98.3726 -98.3726 -98.3721 -98.3721 -98.3720 -98.3720 -98.2715 -98.2715 -98.2715 -98.2715 -6.3668 -6.3668 -5.7259 -5.7259 -5.6134 -5.6134 -4.9010 -4.9010 -4.7955 -4.7955 -3.6251 -3.6251 -2.9209 -2.9209 -2.6840 -2.6840 -2.4171 -2.4171 -2.2321 -2.2321 -2.0767 -2.0767 -1.8965 -1.8965 4.8281 4.8281 4.9078 4.9078 5.1248 5.1248 5.6959 5.6959 k =-0.2577 0.2659 0.8398 ( 11797 PWs) bands (ev): -98.3726 -98.3726 -98.3726 -98.3726 -98.3721 -98.3721 -98.3720 -98.3720 -98.2715 -98.2715 -98.2715 -98.2715 -6.3604 -6.3604 -5.7667 -5.7667 -5.6082 -5.6082 -4.8535 -4.8535 -4.7896 -4.7896 -3.6357 -3.6357 -2.9610 -2.9610 -2.6493 -2.6493 -2.4160 -2.4160 -2.2304 -2.2304 -2.0775 -2.0775 -1.9118 -1.9118 4.8149 4.8149 4.8880 4.8880 5.0721 5.0721 5.7716 5.7717 k =-0.2463 0.2541 0.8487 ( 11803 PWs) bands (ev): -98.3726 -98.3726 -98.3726 -98.3726 -98.3721 -98.3721 -98.3720 -98.3720 -98.2715 -98.2715 -98.2715 -98.2715 -6.3520 -6.3520 -5.8132 -5.8132 -5.6016 -5.6016 -4.7983 -4.7983 -4.7820 -4.7820 -3.6491 -3.6491 -3.0013 -3.0013 -2.6158 -2.6158 -2.4152 -2.4152 -2.2281 -2.2281 -2.0787 -2.0787 -1.9312 -1.9312 4.7949 4.7949 4.8643 4.8643 5.0253 5.0253 5.8515 5.8515 k =-0.2349 0.2424 0.8575 ( 11803 PWs) bands (ev): -98.3726 -98.3726 -98.3726 -98.3726 -98.3721 -98.3721 -98.3720 -98.3720 -98.2715 -98.2715 -98.2715 -98.2715 -6.3419 -6.3419 -5.8635 -5.8635 -5.5935 -5.5935 -4.7728 -4.7728 -4.7376 -4.7376 -3.6648 -3.6648 -3.0416 -3.0416 -2.5838 -2.5838 -2.4151 -2.4151 -2.2252 -2.2252 -2.0803 -2.0803 -1.9545 -1.9545 4.7667 4.7667 4.8379 4.8379 4.9884 4.9884 5.8836 5.8836 k =-0.2349 0.2424 0.8575 ( 11803 PWs) bands (ev): -98.3726 -98.3726 -98.3726 -98.3726 -98.3721 -98.3721 -98.3720 -98.3720 -98.2715 -98.2715 -98.2715 -98.2715 -6.3419 -6.3419 -5.8635 -5.8635 -5.5935 -5.5935 -4.7728 -4.7728 -4.7376 -4.7376 -3.6648 -3.6648 -3.0416 -3.0416 -2.5838 -2.5838 -2.4151 -2.4151 -2.2252 -2.2252 -2.0803 -2.0803 -1.9545 -1.9545 4.7667 4.7667 4.8379 4.8379 4.9884 4.9884 5.8836 5.8836 k =-0.2211 0.2281 0.8575 ( 11809 PWs) bands (ev): -98.3726 -98.3726 -98.3726 -98.3726 -98.3721 -98.3721 -98.3720 -98.3720 -98.2715 -98.2715 -98.2715 -98.2715 -6.3385 -6.3385 -5.8875 -5.8875 -5.5553 -5.5553 -4.7708 -4.7708 -4.6592 -4.6592 -3.7166 -3.7166 -3.1012 -3.1012 -2.5688 -2.5688 -2.4230 -2.4230 -2.2327 -2.2327 -2.0949 -2.0949 -1.9800 -1.9800 4.7438 4.7438 4.8021 4.8021 4.9713 4.9713 5.8978 5.8978 k =-0.2073 0.2138 0.8575 ( 11817 PWs) bands (ev): -98.3726 -98.3726 -98.3726 -98.3726 -98.3721 -98.3721 -98.3721 -98.3721 -98.2715 -98.2715 -98.2715 -98.2715 -6.3348 -6.3348 -5.9127 -5.9127 -5.5155 -5.5155 -4.7657 -4.7657 -4.5789 -4.5789 -3.7697 -3.7697 -3.1605 -3.1605 -2.5535 -2.5535 -2.4309 -2.4309 -2.2413 -2.2413 -2.1093 -2.1093 -2.0078 -2.0078 4.7158 4.7158 4.7651 4.7651 4.9624 4.9624 5.9177 5.9177 k =-0.1935 0.1996 0.8575 ( 11817 PWs) bands (ev): -98.3726 -98.3726 -98.3725 -98.3725 -98.3721 -98.3721 -98.3721 -98.3721 -98.2715 -98.2715 -98.2715 -98.2715 -6.3308 -6.3308 -5.9384 -5.9384 -5.4742 -5.4742 -4.7577 -4.7577 -4.4978 -4.4978 -3.8239 -3.8239 -3.2187 -3.2187 -2.5381 -2.5381 -2.4395 -2.4395 -2.2511 -2.2511 -2.1236 -2.1236 -2.0372 -2.0372 4.6844 4.6844 4.7275 4.7275 4.9607 4.9607 5.9416 5.9416 k =-0.1797 0.1853 0.8575 ( 11811 PWs) bands (ev): -98.3726 -98.3726 -98.3725 -98.3725 -98.3721 -98.3721 -98.3721 -98.3721 -98.2715 -98.2715 -98.2715 -98.2715 -6.3266 -6.3266 -5.9642 -5.9642 -5.4314 -5.4314 -4.7470 -4.7470 -4.4171 -4.4171 -3.8789 -3.8789 -3.2750 -3.2750 -2.5226 -2.5226 -2.4495 -2.4495 -2.2621 -2.2621 -2.1377 -2.1377 -2.0672 -2.0672 4.6512 4.6512 4.6902 4.6902 4.9652 4.9652 5.9671 5.9671 k =-0.1658 0.1711 0.8575 ( 11805 PWs) bands (ev): -98.3725 -98.3725 -98.3725 -98.3725 -98.3722 -98.3722 -98.3721 -98.3721 -98.2715 -98.2715 -98.2715 -98.2715 -6.3221 -6.3221 -5.9897 -5.9897 -5.3872 -5.3872 -4.7338 -4.7338 -4.3382 -4.3382 -3.9342 -3.9342 -3.3284 -3.3284 -2.5071 -2.5071 -2.4621 -2.4621 -2.2743 -2.2743 -2.1514 -2.1514 -2.0968 -2.0968 4.6179 4.6179 4.6536 4.6536 4.9747 4.9747 5.9904 5.9904 k =-0.1520 0.1568 0.8575 ( 11807 PWs) bands (ev): -98.3725 -98.3725 -98.3725 -98.3725 -98.3722 -98.3722 -98.3721 -98.3721 -98.2715 -98.2715 -98.2715 -98.2715 -6.3172 -6.3172 -6.0146 -6.0146 -5.3416 -5.3416 -4.7184 -4.7184 -4.2627 -4.2627 -3.9894 -3.9894 -3.3771 -3.3771 -2.4915 -2.4915 -2.4788 -2.4788 -2.2872 -2.2872 -2.1649 -2.1649 -2.1248 -2.1248 4.5854 4.5854 4.6184 4.6184 4.9887 4.9887 6.0055 6.0055 k =-0.1382 0.1426 0.8575 ( 11807 PWs) bands (ev): -98.3725 -98.3725 -98.3725 -98.3725 -98.3722 -98.3722 -98.3721 -98.3721 -98.2715 -98.2715 -98.2715 -98.2715 -6.3119 -6.3119 -6.0388 -6.0388 -5.2948 -5.2948 -4.7015 -4.7015 -4.1931 -4.1931 -4.0438 -4.0438 -3.4190 -3.4190 -2.5014 -2.5014 -2.4761 -2.4761 -2.2997 -2.2997 -2.1780 -2.1780 -2.1503 -2.1503 4.5546 4.5546 4.5849 4.5849 5.0068 5.0068 6.0045 6.0045 k =-0.1244 0.1283 0.8575 ( 11803 PWs) bands (ev): -98.3725 -98.3725 -98.3725 -98.3725 -98.3722 -98.3722 -98.3722 -98.3722 -98.2715 -98.2715 -98.2715 -98.2715 -6.3062 -6.3062 -6.0621 -6.0621 -5.2467 -5.2467 -4.6838 -4.6838 -4.1326 -4.1326 -4.0966 -4.0966 -3.4508 -3.4508 -2.5314 -2.5314 -2.4608 -2.4608 -2.3107 -2.3107 -2.1906 -2.1906 -2.1728 -2.1728 4.5259 4.5259 4.5536 4.5536 5.0289 5.0289 5.9814 5.9814 k =-0.1106 0.1140 0.8575 ( 11801 PWs) bands (ev): -98.3725 -98.3725 -98.3724 -98.3724 -98.3722 -98.3722 -98.3722 -98.3722 -98.2715 -98.2715 -98.2715 -98.2715 -6.2999 -6.2999 -6.0844 -6.0844 -5.1976 -5.1976 -4.6664 -4.6664 -4.1466 -4.1466 -4.0855 -4.0855 -3.4683 -3.4683 -2.5697 -2.5697 -2.4458 -2.4458 -2.3192 -2.3192 -2.2028 -2.2028 -2.1925 -2.1925 4.4997 4.4997 4.5247 4.5247 5.0548 5.0548 5.9367 5.9367 k =-0.0967 0.0998 0.8575 ( 11803 PWs) bands (ev): -98.3725 -98.3725 -98.3724 -98.3724 -98.3722 -98.3722 -98.3722 -98.3722 -98.2715 -98.2715 -98.2715 -98.2715 -6.2931 -6.2931 -6.1058 -6.1058 -5.1474 -5.1474 -4.6512 -4.6512 -4.1920 -4.1920 -4.0560 -4.0560 -3.4674 -3.4674 -2.6158 -2.6158 -2.4309 -2.4309 -2.3251 -2.3251 -2.2145 -2.2145 -2.2097 -2.2097 4.4763 4.4763 4.4985 4.4985 5.0846 5.0846 5.8769 5.8769 k =-0.0829 0.0855 0.8575 ( 11807 PWs) bands (ev): -98.3724 -98.3724 -98.3724 -98.3724 -98.3723 -98.3723 -98.3722 -98.3722 -98.2715 -98.2715 -98.2715 -98.2715 -6.2856 -6.2856 -6.1260 -6.1260 -5.0965 -5.0965 -4.6408 -4.6408 -4.2303 -4.2303 -4.0461 -4.0461 -3.4459 -3.4459 -2.6688 -2.6688 -2.4164 -2.4164 -2.3285 -2.3285 -2.2255 -2.2255 -2.2248 -2.2248 4.4559 4.4559 4.4752 4.4752 5.1183 5.1183 5.8090 5.8090 k =-0.0691 0.0713 0.8575 ( 11803 PWs) bands (ev): -98.3724 -98.3724 -98.3724 -98.3724 -98.3723 -98.3723 -98.3722 -98.3722 -98.2715 -98.2715 -98.2715 -98.2715 -6.2775 -6.2775 -6.1451 -6.1451 -5.0448 -5.0448 -4.6384 -4.6384 -4.2580 -4.2580 -4.0539 -4.0539 -3.4059 -3.4059 -2.7277 -2.7277 -2.4023 -2.4023 -2.3302 -2.3302 -2.2380 -2.2380 -2.2359 -2.2359 4.4387 4.4387 4.4549 4.4549 5.1559 5.1559 5.7377 5.7377 k =-0.0553 0.0570 0.8575 ( 11802 PWs) bands (ev): -98.3724 -98.3724 -98.3724 -98.3724 -98.3723 -98.3723 -98.3722 -98.3722 -98.2715 -98.2715 -98.2715 -98.2715 -6.2685 -6.2685 -6.1631 -6.1631 -4.9927 -4.9927 -4.6475 -4.6475 -4.2721 -4.2721 -4.0747 -4.0747 -3.3518 -3.3518 -2.7912 -2.7912 -2.3887 -2.3887 -2.3310 -2.3310 -2.2496 -2.2496 -2.2454 -2.2454 4.4248 4.4248 4.4379 4.4379 5.1975 5.1975 5.6662 5.6662 k =-0.0415 0.0428 0.8575 ( 11800 PWs) bands (ev): -98.3724 -98.3724 -98.3724 -98.3724 -98.3723 -98.3723 -98.3723 -98.3723 -98.2715 -98.2715 -98.2715 -98.2715 -6.2588 -6.2588 -6.1800 -6.1800 -4.9405 -4.9405 -4.6691 -4.6691 -4.2714 -4.2714 -4.1037 -4.1037 -3.2884 -3.2884 -2.8585 -2.8585 -2.3758 -2.3758 -2.3317 -2.3317 -2.2592 -2.2592 -2.2539 -2.2539 4.4143 4.4143 4.4242 4.4242 5.2429 5.2429 5.5962 5.5962 k =-0.0276 0.0285 0.8575 ( 11794 PWs) bands (ev): -98.3724 -98.3724 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.2715 -98.2715 -98.2715 -98.2715 -6.2482 -6.2482 -6.1958 -6.1958 -4.8886 -4.8886 -4.7017 -4.7017 -4.2578 -4.2578 -4.1371 -4.1371 -3.2193 -3.2193 -2.9286 -2.9286 -2.3638 -2.3638 -2.3334 -2.3334 -2.2661 -2.2661 -2.2611 -2.2611 4.4072 4.4072 4.4138 4.4138 5.2924 5.2924 5.5286 5.5286 k =-0.0138 0.0143 0.8575 ( 11790 PWs) bands (ev): -98.3724 -98.3724 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.2715 -98.2715 -98.2715 -98.2715 -6.2366 -6.2366 -6.2104 -6.2104 -4.8376 -4.8376 -4.7424 -4.7424 -4.2346 -4.2346 -4.1716 -4.1716 -3.1472 -3.1472 -3.0007 -3.0007 -2.3530 -2.3530 -2.3374 -2.3374 -2.2697 -2.2697 -2.2666 -2.2666 4.4036 4.4036 4.4069 4.4069 5.3458 5.3458 5.4641 5.4641 k = 0.0000 0.0000 0.8575 ( 11796 PWs) bands (ev): -98.3724 -98.3724 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.2715 -98.2715 -98.2715 -98.2715 -6.2240 -6.2240 -6.2240 -6.2240 -4.7884 -4.7884 -4.7884 -4.7884 -4.2049 -4.2049 -4.2049 -4.2049 -3.0739 -3.0739 -3.0739 -3.0739 -2.3440 -2.3440 -2.3440 -2.3440 -2.2697 -2.2697 -2.2697 -2.2697 4.4035 4.4035 4.4035 4.4035 5.4031 5.4031 5.4031 5.4031 k = 0.0000 0.0000 0.8575 ( 11796 PWs) bands (ev): -98.3724 -98.3724 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.2715 -98.2715 -98.2715 -98.2715 -6.2240 -6.2240 -6.2240 -6.2240 -4.7884 -4.7884 -4.7884 -4.7884 -4.2049 -4.2049 -4.2049 -4.2049 -3.0739 -3.0739 -3.0739 -3.0739 -2.3440 -2.3440 -2.3440 -2.3440 -2.2697 -2.2697 -2.2697 -2.2697 4.4035 4.4035 4.4035 4.4035 5.4031 5.4031 5.4031 5.4031 k = 0.0139 0.0135 0.8575 ( 11802 PWs) bands (ev): -98.3724 -98.3724 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.2715 -98.2715 -98.2715 -98.2715 -6.2237 -6.2237 -6.2236 -6.2236 -4.7928 -4.7928 -4.7927 -4.7927 -4.1991 -4.1991 -4.1991 -4.1991 -3.0741 -3.0741 -3.0741 -3.0741 -2.3466 -2.3466 -2.3465 -2.3465 -2.2693 -2.2693 -2.2692 -2.2692 4.4066 4.4066 4.4066 4.4066 5.4053 5.4053 5.4053 5.4053 k = 0.0278 0.0269 0.8575 ( 11790 PWs) bands (ev): -98.3724 -98.3724 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.2715 -98.2715 -98.2715 -98.2715 -6.2226 -6.2226 -6.2226 -6.2226 -4.8053 -4.8053 -4.8053 -4.8053 -4.1823 -4.1823 -4.1823 -4.1823 -3.0748 -3.0748 -3.0748 -3.0748 -2.3541 -2.3541 -2.3540 -2.3540 -2.2680 -2.2680 -2.2679 -2.2679 4.4157 4.4157 4.4157 4.4157 5.4121 5.4121 5.4121 5.4121 k = 0.0417 0.0404 0.8575 ( 11778 PWs) bands (ev): -98.3724 -98.3724 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.2715 -98.2715 -98.2715 -98.2715 -6.2208 -6.2208 -6.2208 -6.2208 -4.8246 -4.8246 -4.8246 -4.8246 -4.1558 -4.1558 -4.1558 -4.1558 -3.0760 -3.0760 -3.0760 -3.0760 -2.3660 -2.3660 -2.3658 -2.3658 -2.2663 -2.2663 -2.2662 -2.2662 4.4309 4.4309 4.4309 4.4309 5.4231 5.4231 5.4231 5.4231 k = 0.0556 0.0539 0.8575 ( 11784 PWs) bands (ev): -98.3724 -98.3724 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.2715 -98.2715 -98.2715 -98.2715 -6.2184 -6.2184 -6.2184 -6.2184 -4.8488 -4.8488 -4.8488 -4.8488 -4.1216 -4.1216 -4.1216 -4.1216 -3.0778 -3.0778 -3.0778 -3.0778 -2.3816 -2.3816 -2.3815 -2.3815 -2.2646 -2.2646 -2.2645 -2.2645 4.4520 4.4520 4.4520 4.4520 5.4382 5.4382 5.4382 5.4382 k = 0.0694 0.0673 0.8575 ( 11798 PWs) bands (ev): -98.3724 -98.3724 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.2715 -98.2715 -98.2715 -98.2715 -6.2154 -6.2154 -6.2154 -6.2154 -4.8763 -4.8763 -4.8763 -4.8763 -4.0814 -4.0814 -4.0814 -4.0814 -3.0802 -3.0802 -3.0802 -3.0802 -2.4005 -2.4005 -2.4003 -2.4003 -2.2632 -2.2632 -2.2631 -2.2631 4.4788 4.4788 4.4788 4.4788 5.4568 5.4568 5.4568 5.4568 k = 0.0833 0.0808 0.8575 ( 11790 PWs) bands (ev): -98.3724 -98.3724 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.2715 -98.2715 -98.2715 -98.2715 -6.2119 -6.2119 -6.2119 -6.2119 -4.9055 -4.9055 -4.9055 -4.9055 -4.0367 -4.0367 -4.0367 -4.0367 -3.0834 -3.0834 -3.0833 -3.0833 -2.4222 -2.4222 -2.4220 -2.4220 -2.2621 -2.2621 -2.2620 -2.2620 4.5110 4.5110 4.5110 4.5110 5.4783 5.4783 5.4783 5.4783 k = 0.0972 0.0942 0.8575 ( 11782 PWs) bands (ev): -98.3724 -98.3724 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.2715 -98.2715 -98.2715 -98.2715 -6.2080 -6.2080 -6.2079 -6.2079 -4.9354 -4.9354 -4.9353 -4.9353 -3.9888 -3.9888 -3.9888 -3.9888 -3.0874 -3.0874 -3.0873 -3.0873 -2.4462 -2.4462 -2.4461 -2.4461 -2.2613 -2.2613 -2.2612 -2.2612 4.5484 4.5484 4.5484 4.5484 5.5018 5.5018 5.5018 5.5018 k = 0.1111 0.1077 0.8575 ( 11792 PWs) bands (ev): -98.3724 -98.3724 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.2715 -98.2715 -98.2715 -98.2715 -6.2037 -6.2037 -6.2037 -6.2037 -4.9649 -4.9649 -4.9649 -4.9649 -3.9387 -3.9387 -3.9387 -3.9387 -3.0925 -3.0925 -3.0924 -3.0924 -2.4721 -2.4721 -2.4720 -2.4720 -2.2608 -2.2608 -2.2606 -2.2606 4.5907 4.5907 4.5907 4.5907 5.5258 5.5258 5.5259 5.5259 k = 0.1250 0.1212 0.8575 ( 11794 PWs) bands (ev): -98.3724 -98.3724 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.2715 -98.2715 -98.2715 -98.2715 -6.1992 -6.1992 -6.1992 -6.1992 -4.9934 -4.9934 -4.9933 -4.9933 -3.8873 -3.8873 -3.8873 -3.8873 -3.0987 -3.0987 -3.0987 -3.0987 -2.4991 -2.4991 -2.4990 -2.4990 -2.2605 -2.2605 -2.2604 -2.2604 4.6374 4.6374 4.6374 4.6374 5.5486 5.5486 5.5486 5.5486 k = 0.1389 0.1346 0.8575 ( 11798 PWs) bands (ev): -98.3724 -98.3724 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.2715 -98.2715 -98.2715 -98.2715 -6.1946 -6.1946 -6.1946 -6.1946 -5.0202 -5.0202 -5.0202 -5.0202 -3.8355 -3.8355 -3.8354 -3.8354 -3.1065 -3.1065 -3.1064 -3.1064 -2.5267 -2.5267 -2.5267 -2.5267 -2.2604 -2.2604 -2.2603 -2.2603 4.6881 4.6881 4.6881 4.6881 5.5674 5.5674 5.5674 5.5674 k = 0.1528 0.1481 0.8575 ( 11798 PWs) bands (ev): -98.3724 -98.3724 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.2715 -98.2715 -98.2715 -98.2715 -6.1900 -6.1900 -6.1900 -6.1900 -5.0450 -5.0450 -5.0450 -5.0450 -3.7840 -3.7840 -3.7840 -3.7840 -3.1158 -3.1158 -3.1157 -3.1157 -2.5541 -2.5541 -2.5540 -2.5540 -2.2604 -2.2604 -2.2604 -2.2604 4.7421 4.7421 4.7422 4.7422 5.5790 5.5790 5.5791 5.5791 k = 0.1667 0.1616 0.8575 ( 11794 PWs) bands (ev): -98.3724 -98.3724 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.2715 -98.2715 -98.2715 -98.2715 -6.1857 -6.1857 -6.1857 -6.1857 -5.0673 -5.0673 -5.0672 -5.0672 -3.7339 -3.7339 -3.7338 -3.7338 -3.1268 -3.1268 -3.1267 -3.1267 -2.5803 -2.5803 -2.5802 -2.5802 -2.2606 -2.2606 -2.2605 -2.2605 4.7989 4.7989 4.7989 4.7989 5.5801 5.5801 5.5802 5.5802 k = 0.1806 0.1750 0.8575 ( 11794 PWs) bands (ev): -98.3724 -98.3724 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.2715 -98.2715 -98.2715 -98.2715 -6.1817 -6.1817 -6.1817 -6.1817 -5.0867 -5.0867 -5.0867 -5.0867 -3.6860 -3.6860 -3.6860 -3.6860 -3.1394 -3.1394 -3.1393 -3.1393 -2.6045 -2.6045 -2.6044 -2.6044 -2.2608 -2.2608 -2.2607 -2.2607 4.8574 4.8574 4.8574 4.8574 5.5683 5.5683 5.5683 5.5683 k = 0.1944 0.1885 0.8575 ( 11788 PWs) bands (ev): -98.3724 -98.3724 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.2715 -98.2715 -98.2715 -98.2715 -6.1782 -6.1782 -6.1782 -6.1782 -5.1030 -5.1030 -5.1030 -5.1030 -3.6419 -3.6419 -3.6418 -3.6418 -3.1533 -3.1533 -3.1532 -3.1532 -2.6257 -2.6257 -2.6257 -2.6257 -2.2610 -2.2610 -2.2609 -2.2609 4.9161 4.9161 4.9161 4.9161 5.5436 5.5436 5.5437 5.5437 k = 0.2083 0.2020 0.8575 ( 11794 PWs) bands (ev): -98.3724 -98.3724 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.2715 -98.2715 -98.2715 -98.2715 -6.1754 -6.1754 -6.1753 -6.1753 -5.1159 -5.1159 -5.1159 -5.1159 -3.6032 -3.6032 -3.6031 -3.6031 -3.1675 -3.1675 -3.1674 -3.1674 -2.6432 -2.6432 -2.6431 -2.6431 -2.2612 -2.2612 -2.2611 -2.2611 4.9727 4.9727 4.9727 4.9727 5.5096 5.5096 5.5096 5.5096 k = 0.2222 0.2154 0.8575 ( 11798 PWs) bands (ev): -98.3724 -98.3724 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.2715 -98.2715 -98.2715 -98.2715 -6.1732 -6.1732 -6.1732 -6.1732 -5.1253 -5.1253 -5.1253 -5.1253 -3.5723 -3.5723 -3.5722 -3.5722 -3.1803 -3.1803 -3.1803 -3.1803 -2.6561 -2.6561 -2.6561 -2.6561 -2.2613 -2.2613 -2.2613 -2.2613 5.0231 5.0231 5.0231 5.0231 5.4726 5.4726 5.4727 5.4727 k = 0.2361 0.2289 0.8575 ( 11792 PWs) bands (ev): -98.3724 -98.3724 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.2715 -98.2715 -98.2715 -98.2715 -6.1719 -6.1719 -6.1719 -6.1719 -5.1310 -5.1310 -5.1310 -5.1310 -3.5520 -3.5520 -3.5520 -3.5520 -3.1896 -3.1896 -3.1895 -3.1895 -2.6641 -2.6641 -2.6641 -2.6641 -2.2614 -2.2614 -2.2614 -2.2614 5.0603 5.0603 5.0603 5.0603 5.4424 5.4424 5.4424 5.4424 k = 0.2500 0.2424 0.8575 ( 11792 PWs) bands (ev): -98.3724 -98.3724 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.2715 -98.2715 -98.2715 -98.2715 -6.1714 -6.1714 -6.1714 -6.1714 -5.1329 -5.1329 -5.1329 -5.1329 -3.5449 -3.5449 -3.5448 -3.5448 -3.1930 -3.1930 -3.1930 -3.1930 -2.6668 -2.6668 -2.6668 -2.6668 -2.2614 -2.2614 -2.2614 -2.2614 5.0745 5.0745 5.0745 5.0745 5.4303 5.4303 5.4303 5.4303 k = 0.2500 0.2424 0.8575 ( 11792 PWs) bands (ev): -98.3724 -98.3724 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.2715 -98.2715 -98.2715 -98.2715 -6.1714 -6.1714 -6.1714 -6.1714 -5.1329 -5.1329 -5.1329 -5.1329 -3.5449 -3.5449 -3.5448 -3.5448 -3.1930 -3.1930 -3.1930 -3.1930 -2.6668 -2.6668 -2.6668 -2.6668 -2.2614 -2.2614 -2.2614 -2.2614 5.0745 5.0745 5.0745 5.0745 5.4303 5.4303 5.4303 5.4303 k = 0.2381 0.2546 0.8483 ( 11790 PWs) bands (ev): -98.3724 -98.3724 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.2715 -98.2715 -98.2715 -98.2715 -6.2114 -6.2114 -6.1297 -6.1297 -5.1671 -5.1671 -5.0975 -5.0975 -3.5759 -3.5759 -3.5193 -3.5193 -3.2176 -3.2176 -3.1681 -3.1681 -2.6990 -2.6990 -2.6305 -2.6305 -2.2907 -2.2907 -2.2341 -2.2341 5.0375 5.0375 5.1153 5.1153 5.4107 5.4107 5.4485 5.4485 k = 0.2262 0.2669 0.8390 ( 11796 PWs) bands (ev): -98.3724 -98.3724 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.2715 -98.2715 -98.2715 -98.2715 -6.2495 -6.2495 -6.0862 -6.0862 -5.2001 -5.2001 -5.0611 -5.0611 -3.6127 -3.6127 -3.4989 -3.4989 -3.2416 -3.2416 -3.1433 -3.1433 -2.7266 -2.7266 -2.5904 -2.5904 -2.3214 -2.3214 -2.2089 -2.2089 5.0043 5.0043 5.1594 5.1594 5.3901 5.3901 5.4649 5.4649 k = 0.2143 0.2792 0.8297 ( 11786 PWs) bands (ev): -98.3724 -98.3724 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.2715 -98.2715 -98.2715 -98.2715 -6.2858 -6.2858 -6.0409 -6.0409 -5.2318 -5.2318 -5.0238 -5.0238 -3.6551 -3.6551 -3.4830 -3.4830 -3.2650 -3.2650 -3.1189 -3.1189 -2.7495 -2.7495 -2.5473 -2.5473 -2.3532 -2.3532 -2.1864 -2.1864 4.9752 4.9752 5.2063 5.2063 5.3691 5.3691 5.4790 5.4790 k = 0.2024 0.2915 0.8205 ( 11790 PWs) bands (ev): -98.3724 -98.3724 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.2715 -98.2715 -98.2715 -98.2715 -6.3203 -6.3203 -5.9940 -5.9940 -5.2621 -5.2621 -4.9856 -4.9856 -3.7029 -3.7029 -3.4711 -3.4711 -3.2875 -3.2875 -3.0954 -3.0954 -2.7679 -2.7679 -2.5020 -2.5020 -2.3852 -2.3852 -2.1666 -2.1666 4.9501 4.9501 5.2556 5.2556 5.3484 5.3484 5.4906 5.4906 k = 0.1905 0.3038 0.8112 ( 11788 PWs) bands (ev): -98.3724 -98.3724 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.2715 -98.2715 -98.2715 -98.2715 -6.3528 -6.3528 -5.9454 -5.9454 -5.2909 -5.2909 -4.9469 -4.9469 -3.7556 -3.7556 -3.4626 -3.4626 -3.3090 -3.3090 -3.0734 -3.0734 -2.7822 -2.7822 -2.4553 -2.4553 -2.4168 -2.4168 -2.1497 -2.1497 4.9292 4.9292 5.3063 5.3063 5.3284 5.3284 5.4997 5.4997 k = 0.1786 0.3160 0.8019 ( 11796 PWs) bands (ev): -98.3724 -98.3724 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.2715 -98.2715 -98.2715 -98.2715 -6.3835 -6.3835 -5.8953 -5.8953 -5.3183 -5.3183 -4.9077 -4.9077 -3.8126 -3.8126 -3.4569 -3.4569 -3.3293 -3.3293 -3.0535 -3.0535 -2.7927 -2.7927 -2.4469 -2.4469 -2.4079 -2.4079 -2.1359 -2.1359 4.9121 4.9121 5.3098 5.3098 5.3575 5.3575 5.5060 5.5060 k = 0.1667 0.3283 0.7927 ( 11788 PWs) bands (ev): -98.3724 -98.3724 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.2715 -98.2715 -98.2715 -98.2715 -6.4123 -6.4123 -5.8436 -5.8436 -5.3440 -5.3440 -4.8682 -4.8682 -3.8733 -3.8733 -3.4533 -3.4533 -3.3484 -3.3484 -3.0369 -3.0369 -2.8001 -2.8001 -2.4745 -2.4745 -2.3606 -2.3606 -2.1251 -2.1251 4.8989 4.8989 5.2930 5.2930 5.4076 5.4076 5.5096 5.5096 k = 0.1548 0.3406 0.7834 ( 11790 PWs) bands (ev): -98.3724 -98.3724 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.2715 -98.2715 -98.2715 -98.2715 -6.4391 -6.4391 -5.7904 -5.7904 -5.3682 -5.3682 -4.8286 -4.8286 -3.9371 -3.9371 -3.4516 -3.4516 -3.3662 -3.3662 -3.0245 -3.0245 -2.8048 -2.8048 -2.4982 -2.4982 -2.3139 -2.3139 -2.1176 -2.1176 4.8893 4.8893 5.2785 5.2785 5.4550 5.4550 5.5107 5.5107 k = 0.1429 0.3529 0.7741 ( 11788 PWs) bands (ev): -98.3724 -98.3724 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.2715 -98.2715 -98.2715 -98.2715 -6.4640 -6.4640 -5.7359 -5.7359 -5.3907 -5.3907 -4.7893 -4.7893 -4.0033 -4.0033 -3.4511 -3.4511 -3.3825 -3.3825 -3.0175 -3.0175 -2.8073 -2.8073 -2.5167 -2.5167 -2.2686 -2.2686 -2.1131 -2.1131 4.8830 4.8830 5.2666 5.2666 5.4974 5.4974 5.5093 5.5093 k = 0.1310 0.3652 0.7649 ( 11796 PWs) bands (ev): -98.3724 -98.3724 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.2715 -98.2715 -98.2715 -98.2715 -6.4869 -6.4869 -5.6801 -5.6801 -5.4115 -5.4115 -4.7506 -4.7506 -4.0714 -4.0714 -3.4517 -3.4517 -3.3972 -3.3972 -3.0168 -3.0168 -2.8082 -2.8082 -2.5288 -2.5288 -2.2252 -2.2252 -2.1116 -2.1116 4.8796 4.8796 5.2577 5.2577 5.5056 5.5056 5.5328 5.5328 k = 0.1190 0.3774 0.7556 ( 11800 PWs) bands (ev): -98.3724 -98.3724 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.2715 -98.2715 -98.2715 -98.2715 -6.5079 -6.5079 -5.6232 -5.6232 -5.4306 -5.4306 -4.7127 -4.7127 -4.1407 -4.1407 -3.4529 -3.4529 -3.4104 -3.4104 -3.0226 -3.0226 -2.8078 -2.8078 -2.5339 -2.5339 -2.1840 -2.1840 -2.1131 -2.1131 4.8787 4.8787 5.2519 5.2519 5.4998 5.4998 5.5597 5.5597 k = 0.1071 0.3897 0.7463 ( 11802 PWs) bands (ev): -98.3724 -98.3724 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.2715 -98.2715 -98.2715 -98.2715 -6.5269 -6.5269 -5.5653 -5.5653 -5.4480 -5.4480 -4.6760 -4.6760 -4.2107 -4.2107 -3.4547 -3.4547 -3.4219 -3.4219 -3.0347 -3.0347 -2.8065 -2.8065 -2.5322 -2.5322 -2.1456 -2.1456 -2.1174 -2.1174 4.8798 4.8798 5.2494 5.2494 5.4918 5.4918 5.5779 5.5779 k = 0.0952 0.4020 0.7371 ( 11802 PWs) bands (ev): -98.3724 -98.3724 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.2715 -98.2715 -98.2715 -98.2715 -6.5439 -6.5439 -5.5066 -5.5066 -5.4636 -5.4636 -4.6411 -4.6411 -4.2809 -4.2809 -3.4567 -3.4567 -3.4317 -3.4317 -3.0518 -3.0518 -2.8046 -2.8046 -2.5244 -2.5244 -2.1241 -2.1241 -2.1103 -2.1103 4.8826 4.8826 5.2502 5.2502 5.4820 5.4820 5.5887 5.5887 k = 0.0833 0.4143 0.7278 ( 11802 PWs) bands (ev): -98.3724 -98.3724 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.2715 -98.2715 -98.2715 -98.2715 -6.5589 -6.5589 -5.4774 -5.4774 -5.4477 -5.4477 -4.6083 -4.6083 -4.3507 -4.3507 -3.4587 -3.4587 -3.4397 -3.4397 -3.0725 -3.0725 -2.8024 -2.8024 -2.5119 -2.5119 -2.1331 -2.1331 -2.0784 -2.0784 4.8866 4.8866 5.2542 5.2542 5.4704 5.4704 5.5940 5.5940 k = 0.0714 0.4266 0.7185 ( 11798 PWs) bands (ev): -98.3724 -98.3724 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.2715 -98.2715 -98.2715 -98.2715 -6.5719 -6.5719 -5.4894 -5.4894 -5.3888 -5.3888 -4.5783 -4.5783 -4.4193 -4.4193 -3.4608 -3.4608 -3.4460 -3.4460 -3.0950 -3.0950 -2.8001 -2.8001 -2.4961 -2.4961 -2.1438 -2.1438 -2.0502 -2.0502 4.8911 4.8911 5.2613 5.2613 5.4571 5.4571 5.5958 5.5958 k = 0.0595 0.4388 0.7093 ( 11816 PWs) bands (ev): -98.3724 -98.3724 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.2715 -98.2715 -98.2715 -98.2715 -6.5830 -6.5830 -5.4996 -5.4996 -5.3308 -5.3308 -4.5515 -4.5515 -4.4858 -4.4858 -3.4627 -3.4627 -3.4507 -3.4507 -3.1176 -3.1176 -2.7978 -2.7978 -2.4784 -2.4784 -2.1559 -2.1559 -2.0260 -2.0260 4.8959 4.8959 5.2713 5.2713 5.4423 5.4423 5.5954 5.5954 k = 0.0476 0.4511 0.7000 ( 11816 PWs) bands (ev): -98.3724 -98.3724 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.2715 -98.2715 -98.2715 -98.2715 -6.5920 -6.5920 -5.5080 -5.5080 -5.2749 -5.2749 -4.5488 -4.5488 -4.5285 -4.5285 -3.4644 -3.4644 -3.4539 -3.4539 -3.1388 -3.1388 -2.7957 -2.7957 -2.4603 -2.4603 -2.1685 -2.1685 -2.0058 -2.0058 4.9004 4.9004 5.2839 5.2839 5.4262 5.4262 5.5941 5.5941 k = 0.0357 0.4634 0.6907 ( 11814 PWs) bands (ev): -98.3724 -98.3724 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.2715 -98.2715 -98.2715 -98.2715 -6.5991 -6.5991 -5.5145 -5.5145 -5.2231 -5.2231 -4.6062 -4.6062 -4.5100 -4.5100 -3.4658 -3.4658 -3.4559 -3.4559 -3.1571 -3.1571 -2.7940 -2.7940 -2.4434 -2.4434 -2.1807 -2.1807 -1.9900 -1.9900 4.9043 4.9043 5.2985 5.2985 5.4090 5.4090 5.5925 5.5925 k = 0.0238 0.4757 0.6815 ( 11812 PWs) bands (ev): -98.3724 -98.3724 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.2715 -98.2715 -98.2715 -98.2715 -6.6041 -6.6041 -5.5191 -5.5191 -5.1791 -5.1791 -4.6544 -4.6544 -4.4963 -4.4963 -3.4668 -3.4668 -3.4569 -3.4569 -3.1712 -3.1712 -2.7927 -2.7927 -2.4292 -2.4292 -2.1912 -2.1912 -1.9786 -1.9786 4.9074 4.9074 5.3148 5.3148 5.3911 5.3911 5.5912 5.5912 k = 0.0119 0.4880 0.6722 ( 11810 PWs) bands (ev): -98.3724 -98.3724 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.2715 -98.2715 -98.2715 -98.2715 -6.6071 -6.6071 -5.5219 -5.5219 -5.1481 -5.1481 -4.6879 -4.6879 -4.4880 -4.4880 -3.4674 -3.4674 -3.4573 -3.4573 -3.1802 -3.1802 -2.7919 -2.7919 -2.4197 -2.4197 -2.1984 -2.1984 -1.9718 -1.9718 4.9093 4.9093 5.3317 5.3317 5.3732 5.3732 5.5903 5.5903 k = 0.0000 0.5002 0.6629 ( 11810 PWs) bands (ev): -98.3724 -98.3724 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.2715 -98.2715 -98.2715 -98.2715 -6.6081 -6.6081 -5.5229 -5.5229 -5.1367 -5.1367 -4.7001 -4.7001 -4.4851 -4.4851 -3.4676 -3.4676 -3.4574 -3.4574 -3.1832 -3.1832 -2.7916 -2.7916 -2.4163 -2.4163 -2.2010 -2.2010 -1.9695 -1.9695 4.9099 4.9099 5.3436 5.3436 5.3610 5.3610 5.5900 5.5900 k = 0.0000 0.5002 0.6629 ( 11810 PWs) bands (ev): -98.3724 -98.3724 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.2715 -98.2715 -98.2715 -98.2715 -6.6081 -6.6081 -5.5229 -5.5229 -5.1367 -5.1367 -4.7001 -4.7001 -4.4851 -4.4851 -3.4676 -3.4676 -3.4574 -3.4574 -3.1832 -3.1832 -2.7916 -2.7916 -2.4163 -2.4163 -2.2010 -2.2010 -1.9695 -1.9695 4.9099 4.9099 5.3436 5.3436 5.3610 5.3610 5.5900 5.5900 k = 0.0152 0.5096 0.6559 ( 11813 PWs) bands (ev): -98.3724 -98.3724 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.2715 -98.2715 -98.2715 -98.2715 -6.6073 -6.6073 -5.5224 -5.5224 -5.1404 -5.1404 -4.7013 -4.7013 -4.4815 -4.4815 -3.5496 -3.5496 -3.3747 -3.3747 -3.1816 -3.1816 -2.7921 -2.7921 -2.4167 -2.4167 -2.2005 -2.2005 -1.9689 -1.9689 4.9093 4.9093 5.3443 5.3443 5.3601 5.3601 5.5900 5.5900 k = 0.0303 0.5190 0.6488 ( 11811 PWs) bands (ev): -98.3724 -98.3724 -98.3724 -98.3724 -98.3723 -98.3723 -98.3723 -98.3723 -98.2715 -98.2715 -98.2715 -98.2715 -6.6048 -6.6048 -5.5210 -5.5210 -5.1513 -5.1513 -4.7047 -4.7047 -4.4712 -4.4712 -3.6349 -3.6349 -3.2871 -3.2871 -3.1766 -3.1766 -2.7936 -2.7936 -2.4179 -2.4179 -2.1990 -2.1990 -1.9672 -1.9672 4.9077 4.9077 5.3464 5.3464 5.3575 5.3575 5.5900 5.5900 k = 0.0455 0.5283 0.6417 ( 11807 PWs) bands (ev): -98.3724 -98.3724 -98.3724 -98.3724 -98.3723 -98.3723 -98.3723 -98.3723 -98.2715 -98.2715 -98.2715 -98.2715 -6.6008 -6.6008 -5.5187 -5.5187 -5.1686 -5.1686 -4.7104 -4.7104 -4.4555 -4.4555 -3.7177 -3.7177 -3.2000 -3.2000 -3.1684 -3.1684 -2.7960 -2.7960 -2.4197 -2.4197 -2.1965 -2.1965 -1.9645 -1.9645 4.9050 4.9050 5.3496 5.3496 5.3528 5.3528 5.5902 5.5902 k = 0.0607 0.5377 0.6346 ( 11795 PWs) bands (ev): -98.3724 -98.3724 -98.3724 -98.3724 -98.3723 -98.3723 -98.3723 -98.3723 -98.2715 -98.2715 -98.2715 -98.2715 -6.5951 -6.5951 -5.5156 -5.5156 -5.1910 -5.1910 -4.7183 -4.7183 -4.4369 -4.4369 -3.7962 -3.7962 -3.1571 -3.1571 -3.1138 -3.1138 -2.7992 -2.7992 -2.4222 -2.4222 -2.1931 -2.1931 -1.9607 -1.9607 4.9014 4.9014 5.3455 5.3455 5.3538 5.3538 5.5906 5.5906 k = 0.0758 0.5471 0.6276 ( 11789 PWs) bands (ev): -98.3724 -98.3724 -98.3724 -98.3724 -98.3723 -98.3723 -98.3722 -98.3722 -98.2715 -98.2715 -98.2715 -98.2715 -6.5878 -6.5878 -5.5119 -5.5119 -5.2174 -5.2174 -4.7280 -4.7280 -4.4186 -4.4186 -3.8680 -3.8680 -3.1430 -3.1430 -3.0292 -3.0292 -2.8029 -2.8029 -2.4252 -2.4252 -2.1890 -2.1890 -1.9561 -1.9561 4.8972 4.8972 5.3351 5.3351 5.3586 5.3586 5.5915 5.5915 k = 0.0910 0.5564 0.6205 ( 11792 PWs) bands (ev): -98.3724 -98.3724 -98.3724 -98.3724 -98.3723 -98.3723 -98.3722 -98.3722 -98.2715 -98.2715 -98.2715 -98.2715 -6.5790 -6.5790 -5.5076 -5.5076 -5.2466 -5.2466 -4.7396 -4.7396 -4.4052 -4.4052 -3.9292 -3.9292 -3.1264 -3.1264 -2.9468 -2.9468 -2.8066 -2.8066 -2.4286 -2.4286 -2.1842 -2.1842 -1.9508 -1.9508 4.8924 4.8924 5.3207 5.3207 5.3636 5.3636 5.5932 5.5932 k = 0.1062 0.5658 0.6134 ( 11790 PWs) bands (ev): -98.3724 -98.3724 -98.3724 -98.3724 -98.3722 -98.3722 -98.3722 -98.3722 -98.2715 -98.2715 -98.2715 -98.2715 -6.5687 -6.5687 -5.5030 -5.5030 -5.2778 -5.2778 -4.7527 -4.7527 -4.4027 -4.4027 -3.9743 -3.9743 -3.1074 -3.1074 -2.8687 -2.8687 -2.8086 -2.8086 -2.4322 -2.4322 -2.1789 -2.1789 -1.9448 -1.9448 4.8875 4.8875 5.3017 5.3017 5.3680 5.3680 5.5962 5.5962 k = 0.1213 0.5752 0.6064 ( 11782 PWs) bands (ev): -98.3724 -98.3724 -98.3724 -98.3724 -98.3722 -98.3722 -98.3722 -98.3722 -98.2715 -98.2715 -98.2715 -98.2715 -6.5569 -6.5569 -5.4985 -5.4985 -5.3102 -5.3102 -4.7671 -4.7671 -4.4167 -4.4167 -3.9981 -3.9981 -3.0866 -3.0866 -2.8247 -2.8247 -2.7792 -2.7792 -2.4358 -2.4358 -2.1733 -2.1733 -1.9384 -1.9384 4.8826 4.8826 5.2773 5.2773 5.3711 5.3711 5.6011 5.6011 k = 0.1365 0.5846 0.5993 ( 11779 PWs) bands (ev): -98.3725 -98.3725 -98.3724 -98.3724 -98.3722 -98.3722 -98.3722 -98.3722 -98.2715 -98.2715 -98.2715 -98.2715 -6.5439 -6.5439 -5.4943 -5.4943 -5.3432 -5.3432 -4.7826 -4.7826 -4.4481 -4.4481 -3.9997 -3.9997 -3.0641 -3.0641 -2.8249 -2.8249 -2.7084 -2.7084 -2.4393 -2.4393 -2.1675 -2.1675 -1.9316 -1.9316 4.8780 4.8780 5.2474 5.2474 5.3722 5.3722 5.6085 5.6085 k = 0.1517 0.5939 0.5922 ( 11783 PWs) bands (ev): -98.3725 -98.3725 -98.3725 -98.3725 -98.3722 -98.3722 -98.3722 -98.3722 -98.2715 -98.2715 -98.2715 -98.2715 -6.5295 -6.5295 -5.4910 -5.4910 -5.3763 -5.3763 -4.7991 -4.7991 -4.4928 -4.4928 -3.9832 -3.9832 -3.0405 -3.0405 -2.8281 -2.8281 -2.6378 -2.6378 -2.4425 -2.4425 -2.1615 -2.1615 -1.9248 -1.9248 4.8738 4.8738 5.2122 5.2122 5.3705 5.3705 5.6190 5.6190 k = 0.1668 0.6033 0.5852 ( 11794 PWs) bands (ev): -98.3725 -98.3725 -98.3725 -98.3725 -98.3722 -98.3722 -98.3722 -98.3722 -98.2715 -98.2715 -98.2715 -98.2715 -6.5140 -6.5140 -5.4892 -5.4892 -5.4090 -5.4090 -4.8162 -4.8162 -4.5445 -4.5445 -3.9548 -3.9548 -3.0161 -3.0161 -2.8310 -2.8310 -2.5706 -2.5706 -2.4452 -2.4452 -2.1554 -2.1554 -1.9179 -1.9179 4.8705 4.8705 5.1728 5.1728 5.3657 5.3657 5.6330 5.6330 k = 0.1820 0.6127 0.5781 ( 11790 PWs) bands (ev): -98.3725 -98.3725 -98.3725 -98.3725 -98.3722 -98.3722 -98.3721 -98.3721 -98.2715 -98.2715 -98.2715 -98.2715 -6.4976 -6.4976 -5.4898 -5.4898 -5.4410 -5.4410 -4.8338 -4.8338 -4.5980 -4.5980 -3.9191 -3.9191 -2.9912 -2.9912 -2.8330 -2.8330 -2.5077 -2.5077 -2.4471 -2.4471 -2.1493 -2.1493 -1.9111 -1.9111 4.8679 4.8679 5.1309 5.1309 5.3577 5.3577 5.6505 5.6505 k = 0.1972 0.6220 0.5710 ( 11800 PWs) bands (ev): -98.3725 -98.3725 -98.3725 -98.3725 -98.3722 -98.3722 -98.3721 -98.3721 -98.2715 -98.2715 -98.2715 -98.2715 -6.4804 -6.4804 -5.4944 -5.4944 -5.4712 -5.4712 -4.8516 -4.8516 -4.6494 -4.6494 -3.8794 -3.8794 -2.9664 -2.9664 -2.8336 -2.8336 -2.4499 -2.4499 -2.4482 -2.4482 -2.1430 -2.1430 -1.9046 -1.9046 4.8664 4.8664 5.0883 5.0883 5.3468 5.3468 5.6714 5.6714 k = 0.2123 0.6314 0.5640 ( 11798 PWs) bands (ev): -98.3725 -98.3725 -98.3725 -98.3725 -98.3722 -98.3722 -98.3721 -98.3721 -98.2715 -98.2715 -98.2715 -98.2715 -6.4627 -6.4627 -5.5098 -5.5098 -5.4934 -5.4934 -4.8696 -4.8696 -4.6960 -4.6960 -3.8378 -3.8378 -2.9420 -2.9420 -2.8326 -2.8326 -2.4482 -2.4482 -2.3976 -2.3976 -2.1364 -2.1364 -1.8985 -1.8985 4.8658 4.8658 5.0470 5.0470 5.3334 5.3334 5.6675 5.6675 k = 0.2275 0.6408 0.5569 ( 11794 PWs) bands (ev): -98.3725 -98.3725 -98.3725 -98.3725 -98.3721 -98.3721 -98.3721 -98.3721 -98.2715 -98.2715 -98.2715 -98.2715 -6.4448 -6.4448 -5.5367 -5.5367 -5.5073 -5.5073 -4.8874 -4.8874 -4.7357 -4.7357 -3.7959 -3.7959 -2.9183 -2.9183 -2.8296 -2.8296 -2.4469 -2.4469 -2.3517 -2.3517 -2.1292 -2.1292 -1.8930 -1.8930 4.8658 4.8658 5.0089 5.0089 5.3181 5.3181 5.6457 5.6457 k = 0.2427 0.6501 0.5498 ( 11790 PWs) bands (ev): -98.3726 -98.3726 -98.3725 -98.3725 -98.3721 -98.3721 -98.3721 -98.3721 -98.2715 -98.2715 -98.2715 -98.2715 -6.4273 -6.4273 -5.5646 -5.5646 -5.5238 -5.5238 -4.9051 -4.9051 -4.7672 -4.7672 -3.7546 -3.7546 -2.8957 -2.8957 -2.8243 -2.8243 -2.4442 -2.4442 -2.3129 -2.3129 -2.1209 -2.1209 -1.8881 -1.8881 4.8657 4.8657 4.9761 4.9761 5.3018 5.3018 5.6255 5.6255 k = 0.2578 0.6595 0.5428 ( 11795 PWs) bands (ev): -98.3726 -98.3726 -98.3726 -98.3726 -98.3721 -98.3721 -98.3721 -98.3721 -98.2715 -98.2715 -98.2715 -98.2715 -6.4107 -6.4107 -5.5917 -5.5917 -5.5444 -5.5444 -4.9223 -4.9223 -4.7896 -4.7896 -3.7148 -3.7148 -2.8746 -2.8746 -2.8164 -2.8164 -2.4401 -2.4401 -2.2818 -2.2818 -2.1112 -2.1112 -1.8839 -1.8839 4.8640 4.8640 4.9510 4.9510 5.2849 5.2849 5.6066 5.6066 k = 0.2730 0.6689 0.5357 ( 11800 PWs) bands (ev): -98.3726 -98.3726 -98.3726 -98.3726 -98.3721 -98.3721 -98.3720 -98.3720 -98.2715 -98.2715 -98.2715 -98.2715 -6.3958 -6.3958 -5.6175 -5.6175 -5.5684 -5.5684 -4.9391 -4.9391 -4.8027 -4.8027 -3.6773 -3.6773 -2.8552 -2.8552 -2.8057 -2.8057 -2.4345 -2.4345 -2.2587 -2.2587 -2.1000 -2.1000 -1.8806 -1.8806 4.8589 4.8589 4.9363 4.9363 5.2682 5.2682 5.5885 5.5885 k = 0.2882 0.6782 0.5286 ( 11803 PWs) bands (ev): -98.3726 -98.3726 -98.3726 -98.3726 -98.3721 -98.3721 -98.3720 -98.3720 -98.2715 -98.2715 -98.2715 -98.2715 -6.3836 -6.3836 -5.6420 -5.6420 -5.5943 -5.5943 -4.9553 -4.9553 -4.8069 -4.8069 -3.6426 -3.6426 -2.8376 -2.8376 -2.7922 -2.7922 -2.4275 -2.4275 -2.2432 -2.2432 -2.0877 -2.0877 -1.8781 -1.8781 4.8506 4.8506 4.9321 4.9321 5.2524 5.2524 5.5716 5.5716 k = 0.3033 0.6876 0.5215 ( 11805 PWs) bands (ev): -98.3726 -98.3726 -98.3726 -98.3726 -98.3721 -98.3721 -98.3720 -98.3720 -98.2715 -98.2715 -98.2715 -98.2715 -6.3752 -6.3752 -5.6650 -5.6650 -5.6201 -5.6201 -4.9707 -4.9707 -4.8031 -4.8031 -3.6111 -3.6111 -2.8220 -2.8220 -2.7760 -2.7760 -2.4191 -2.4191 -2.2341 -2.2341 -2.0756 -2.0756 -1.8766 -1.8766 4.8424 4.8424 4.9353 4.9353 5.2379 5.2379 5.5561 5.5561 k = 0.3033 0.6876 0.5215 ( 11805 PWs) bands (ev): -98.3726 -98.3726 -98.3726 -98.3726 -98.3721 -98.3721 -98.3720 -98.3720 -98.2715 -98.2715 -98.2715 -98.2715 -6.3752 -6.3752 -5.6650 -5.6650 -5.6201 -5.6201 -4.9707 -4.9707 -4.8031 -4.8031 -3.6111 -3.6111 -2.8220 -2.8220 -2.7760 -2.7760 -2.4191 -2.4191 -2.2341 -2.2341 -2.0756 -2.0756 -1.8766 -1.8766 4.8424 4.8424 4.9353 4.9353 5.2379 5.2379 5.5561 5.5561 k = 0.3099 0.6808 0.5042 ( 11811 PWs) bands (ev): -98.3727 -98.3727 -98.3726 -98.3726 -98.3720 -98.3720 -98.3720 -98.3720 -98.2715 -98.2715 -98.2715 -98.2715 -6.3633 -6.3633 -5.7192 -5.7192 -5.6804 -5.6804 -5.0081 -5.0081 -4.7807 -4.7807 -3.5372 -3.5372 -2.7851 -2.7851 -2.7329 -2.7329 -2.3979 -2.3979 -2.2185 -2.2185 -2.0469 -2.0469 -1.8744 -1.8744 4.8265 4.8265 4.9505 4.9505 5.2058 5.2058 5.5218 5.5218 k = 0.3164 0.6741 0.4868 ( 11809 PWs) bands (ev): -98.3727 -98.3727 -98.3727 -98.3727 -98.3720 -98.3720 -98.3720 -98.3720 -98.2715 -98.2715 -98.2715 -98.2715 -6.3571 -6.3571 -5.7720 -5.7720 -5.7389 -5.7389 -5.0456 -5.0456 -4.7506 -4.7506 -3.4625 -3.4625 -2.7470 -2.7470 -2.6902 -2.6902 -2.3780 -2.3780 -2.2033 -2.2033 -2.0184 -2.0184 -1.8723 -1.8723 4.8140 4.8140 4.9682 4.9682 5.1763 5.1763 5.4906 5.4906 k = 0.3230 0.6673 0.4694 ( 11805 PWs) bands (ev): -98.3727 -98.3727 -98.3727 -98.3727 -98.3720 -98.3720 -98.3719 -98.3719 -98.2715 -98.2715 -98.2715 -98.2715 -6.3561 -6.3561 -5.8235 -5.8235 -5.7956 -5.7956 -5.0831 -5.0831 -4.7131 -4.7131 -3.3871 -3.3871 -2.7078 -2.7078 -2.6481 -2.6481 -2.3593 -2.3593 -2.1885 -2.1885 -1.9901 -1.9901 -1.8704 -1.8704 4.8047 4.8047 4.9885 4.9885 5.1495 5.1495 5.4627 5.4627 k = 0.3295 0.6605 0.4520 ( 11809 PWs) bands (ev): -98.3728 -98.3728 -98.3727 -98.3727 -98.3719 -98.3719 -98.3719 -98.3719 -98.2715 -98.2715 -98.2715 -98.2715 -6.3600 -6.3600 -5.8736 -5.8736 -5.8505 -5.8505 -5.1205 -5.1205 -4.6690 -4.6690 -3.3111 -3.3111 -2.6679 -2.6679 -2.6069 -2.6069 -2.3421 -2.3421 -2.1740 -2.1740 -1.9620 -1.9620 -1.8685 -1.8685 4.7983 4.7983 5.0112 5.0112 5.1254 5.1254 5.4383 5.4383 k = 0.3361 0.6538 0.4346 ( 11821 PWs) bands (ev): -98.3728 -98.3728 -98.3728 -98.3728 -98.3719 -98.3719 -98.3719 -98.3719 -98.2715 -98.2715 -98.2715 -98.2715 -6.3680 -6.3680 -5.9221 -5.9221 -5.9035 -5.9035 -5.1574 -5.1574 -4.6188 -4.6188 -3.2349 -3.2349 -2.6276 -2.6276 -2.5667 -2.5667 -2.3262 -2.3262 -2.1599 -2.1599 -1.9341 -1.9341 -1.8668 -1.8668 4.7947 4.7947 5.0359 5.0359 5.1040 5.1040 5.4176 5.4176 k = 0.3427 0.6470 0.4172 ( 11825 PWs) bands (ev): -98.3728 -98.3728 -98.3728 -98.3728 -98.3719 -98.3719 -98.3718 -98.3718 -98.2715 -98.2715 -98.2715 -98.2715 -6.3796 -6.3796 -5.9691 -5.9691 -5.9546 -5.9546 -5.1938 -5.1938 -4.5633 -4.5633 -3.1586 -3.1586 -2.5871 -2.5871 -2.5277 -2.5277 -2.3117 -2.3117 -2.1462 -2.1462 -1.9063 -1.9063 -1.8651 -1.8651 4.7934 4.7934 5.0626 5.0626 5.0855 5.0855 5.4009 5.4009 k = 0.3492 0.6403 0.3999 ( 11825 PWs) bands (ev): -98.3728 -98.3728 -98.3728 -98.3728 -98.3719 -98.3719 -98.3718 -98.3718 -98.2715 -98.2715 -98.2715 -98.2715 -6.3940 -6.3940 -6.0145 -6.0145 -6.0037 -6.0037 -5.2295 -5.2295 -4.5034 -4.5034 -3.0824 -3.0824 -2.5466 -2.5466 -2.4901 -2.4901 -2.2986 -2.2986 -2.1328 -2.1328 -1.8788 -1.8788 -1.8634 -1.8634 4.7943 4.7943 5.0698 5.0698 5.0907 5.0907 5.3882 5.3882 k = 0.3558 0.6335 0.3825 ( 11809 PWs) bands (ev): -98.3729 -98.3729 -98.3728 -98.3728 -98.3718 -98.3718 -98.3718 -98.3718 -98.2715 -98.2715 -98.2715 -98.2715 -6.4108 -6.4108 -6.0582 -6.0582 -6.0510 -6.0510 -5.2644 -5.2644 -4.4396 -4.4396 -3.0064 -3.0064 -2.5063 -2.5063 -2.4541 -2.4541 -2.2868 -2.2868 -2.1198 -2.1198 -1.8618 -1.8618 -1.8514 -1.8514 4.7970 4.7970 5.0568 5.0568 5.1198 5.1198 5.3799 5.3799 k = 0.3623 0.6267 0.3651 ( 11791 PWs) bands (ev): -98.3729 -98.3729 -98.3729 -98.3729 -98.3718 -98.3718 -98.3717 -98.3717 -98.2715 -98.2715 -98.2715 -98.2715 -6.4292 -6.4292 -6.1002 -6.1002 -6.0962 -6.0962 -5.2983 -5.2983 -4.3729 -4.3729 -2.9311 -2.9311 -2.4664 -2.4664 -2.4197 -2.4197 -2.2763 -2.2763 -2.1070 -2.1070 -1.8601 -1.8601 -1.8242 -1.8242 4.8010 4.8010 5.0466 5.0466 5.1489 5.1489 5.3761 5.3761 k = 0.3689 0.6200 0.3477 ( 11783 PWs) bands (ev): -98.3729 -98.3729 -98.3729 -98.3729 -98.3718 -98.3718 -98.3717 -98.3717 -98.2715 -98.2715 -98.2715 -98.2715 -6.4489 -6.4489 -6.1404 -6.1404 -6.1394 -6.1394 -5.3311 -5.3311 -4.3038 -4.3038 -2.8565 -2.8565 -2.4272 -2.4272 -2.3871 -2.3871 -2.2670 -2.2670 -2.0945 -2.0945 -1.8584 -1.8584 -1.7973 -1.7973 4.8062 4.8062 5.0392 5.0392 5.1768 5.1768 5.3768 5.3768 k = 0.3754 0.6132 0.3303 ( 11779 PWs) bands (ev): -98.3729 -98.3729 -98.3729 -98.3729 -98.3717 -98.3717 -98.3717 -98.3717 -98.2715 -98.2715 -98.2715 -98.2715 -6.4694 -6.4694 -6.1807 -6.1807 -6.1788 -6.1788 -5.3629 -5.3629 -4.2332 -4.2332 -2.7829 -2.7829 -2.3888 -2.3888 -2.3563 -2.3563 -2.2590 -2.2590 -2.0823 -2.0823 -1.8566 -1.8566 -1.7707 -1.7707 4.8121 4.8121 5.0344 5.0344 5.2009 5.2009 5.3823 5.3823 k = 0.3820 0.6064 0.3129 ( 11779 PWs) bands (ev): -98.3730 -98.3730 -98.3729 -98.3729 -98.3717 -98.3717 -98.3717 -98.3717 -98.2715 -98.2715 -98.2715 -98.2715 -6.4903 -6.4903 -6.2199 -6.2199 -6.2154 -6.2154 -5.3933 -5.3933 -4.1615 -4.1615 -2.7106 -2.7106 -2.3514 -2.3514 -2.3275 -2.3275 -2.2520 -2.2520 -2.0702 -2.0702 -1.8548 -1.8548 -1.7444 -1.7444 4.8185 4.8185 5.0321 5.0321 5.2162 5.2162 5.3923 5.3923 k = 0.3885 0.5997 0.2955 ( 11795 PWs) bands (ev): -98.3730 -98.3730 -98.3730 -98.3730 -98.3717 -98.3717 -98.3716 -98.3716 -98.2715 -98.2715 -98.2715 -98.2715 -6.5114 -6.5114 -6.2571 -6.2571 -6.2502 -6.2502 -5.4225 -5.4225 -4.0895 -4.0895 -2.6399 -2.6399 -2.3151 -2.3151 -2.3007 -2.3007 -2.2462 -2.2462 -2.0584 -2.0584 -1.8531 -1.8531 -1.7186 -1.7186 4.8252 4.8252 5.0323 5.0323 5.2120 5.2120 5.4069 5.4069 k = 0.3951 0.5929 0.2782 ( 11787 PWs) bands (ev): -98.3730 -98.3730 -98.3730 -98.3730 -98.3717 -98.3717 -98.3716 -98.3716 -98.2715 -98.2715 -98.2715 -98.2715 -6.5322 -6.5322 -6.2922 -6.2922 -6.2831 -6.2831 -5.4503 -5.4503 -4.0176 -4.0176 -2.5710 -2.5710 -2.2801 -2.2801 -2.2758 -2.2758 -2.2412 -2.2412 -2.0466 -2.0466 -1.8513 -1.8513 -1.6933 -1.6933 4.8318 4.8318 5.0347 5.0347 5.1730 5.1730 5.4259 5.4259 k = 0.4017 0.5862 0.2608 ( 11792 PWs) bands (ev): -98.3730 -98.3730 -98.3730 -98.3730 -98.3717 -98.3717 -98.3716 -98.3716 -98.2715 -98.2715 -98.2715 -98.2715 -6.5526 -6.5526 -6.3253 -6.3253 -6.3141 -6.3141 -5.4767 -5.4767 -3.9466 -3.9466 -2.5043 -2.5043 -2.2530 -2.2530 -2.2466 -2.2466 -2.2371 -2.2371 -2.0349 -2.0349 -1.8495 -1.8495 -1.6686 -1.6686 4.8385 4.8385 5.0393 5.0393 5.0963 5.0963 5.4487 5.4487 k = 0.4082 0.5794 0.2434 ( 11812 PWs) bands (ev): -98.3731 -98.3731 -98.3730 -98.3730 -98.3716 -98.3716 -98.3716 -98.3716 -98.2715 -98.2715 -98.2715 -98.2715 -6.5724 -6.5724 -6.3562 -6.3562 -6.3432 -6.3432 -5.5016 -5.5016 -3.8769 -3.8769 -2.4401 -2.4401 -2.2338 -2.2338 -2.2320 -2.2320 -2.2146 -2.2146 -2.0233 -2.0233 -1.8478 -1.8478 -1.6447 -1.6447 4.8450 4.8450 4.9969 4.9969 5.0457 5.0457 5.4707 5.4707 k = 0.4148 0.5726 0.2260 ( 11826 PWs) bands (ev): -98.3731 -98.3731 -98.3731 -98.3731 -98.3716 -98.3716 -98.3716 -98.3716 -98.2715 -98.2715 -98.2715 -98.2715 -6.5914 -6.5914 -6.3851 -6.3851 -6.3703 -6.3703 -5.5250 -5.5250 -3.8090 -3.8090 -2.3788 -2.3788 -2.2312 -2.2312 -2.2129 -2.2129 -2.1843 -2.1843 -2.0117 -2.0117 -1.8461 -1.8461 -1.6217 -1.6217 4.8513 4.8513 4.8886 4.8886 5.0539 5.0539 5.4398 5.4398 k = 0.4213 0.5659 0.2086 ( 11818 PWs) bands (ev): -98.3731 -98.3731 -98.3731 -98.3731 -98.3716 -98.3716 -98.3715 -98.3715 -98.2715 -98.2715 -98.2715 -98.2715 -6.6095 -6.6095 -6.4118 -6.4118 -6.3955 -6.3955 -5.5467 -5.5467 -3.7437 -3.7437 -2.3206 -2.3206 -2.2291 -2.2291 -2.1957 -2.1957 -2.1558 -2.1558 -2.0001 -2.0001 -1.8445 -1.8445 -1.5997 -1.5997 4.7788 4.7788 4.8574 4.8574 5.0634 5.0634 5.4106 5.4106 k = 0.4279 0.5591 0.1912 ( 11802 PWs) bands (ev): -98.3731 -98.3731 -98.3731 -98.3731 -98.3716 -98.3716 -98.3715 -98.3715 -98.2715 -98.2715 -98.2715 -98.2715 -6.6264 -6.6264 -6.4365 -6.4365 -6.4188 -6.4188 -5.5669 -5.5669 -3.6812 -3.6812 -2.2661 -2.2661 -2.2276 -2.2276 -2.1801 -2.1801 -2.1292 -2.1292 -1.9884 -1.9884 -1.8429 -1.8429 -1.5789 -1.5789 4.6713 4.6713 4.8633 4.8633 5.0740 5.0740 5.3836 5.3836 k = 0.4344 0.5523 0.1738 ( 11798 PWs) bands (ev): -98.3731 -98.3731 -98.3731 -98.3731 -98.3716 -98.3716 -98.3715 -98.3715 -98.2715 -98.2715 -98.2715 -98.2715 -6.6422 -6.6422 -6.4590 -6.4590 -6.4400 -6.4400 -5.5854 -5.5854 -3.6222 -3.6222 -2.2265 -2.2265 -2.2155 -2.2155 -2.1663 -2.1663 -2.1046 -2.1046 -1.9766 -1.9766 -1.8415 -1.8415 -1.5594 -1.5594 4.5684 4.5684 4.8690 4.8690 5.0855 5.0855 5.3590 5.3590 k = 0.4410 0.5456 0.1565 ( 11808 PWs) bands (ev): -98.3731 -98.3731 -98.3731 -98.3731 -98.3716 -98.3716 -98.3715 -98.3715 -98.2715 -98.2715 -98.2715 -98.2715 -6.6568 -6.6568 -6.4794 -6.4794 -6.4593 -6.4593 -5.6023 -5.6023 -3.5672 -3.5672 -2.2257 -2.2257 -2.1693 -2.1693 -2.1540 -2.1540 -2.0821 -2.0821 -1.9647 -1.9647 -1.8402 -1.8402 -1.5413 -1.5413 4.4716 4.4716 4.8743 4.8743 5.0974 5.0974 5.3367 5.3367 k = 0.4476 0.5388 0.1391 ( 11806 PWs) bands (ev): -98.3732 -98.3732 -98.3731 -98.3731 -98.3715 -98.3715 -98.3715 -98.3715 -98.2715 -98.2715 -98.2715 -98.2715 -6.6699 -6.6699 -6.4977 -6.4977 -6.4766 -6.4766 -5.6174 -5.6174 -3.5167 -3.5167 -2.2252 -2.2252 -2.1433 -2.1433 -2.1279 -2.1279 -2.0617 -2.0617 -1.9526 -1.9526 -1.8390 -1.8390 -1.5248 -1.5248 4.3823 4.3823 4.8794 4.8794 5.1093 5.1093 5.3168 5.3168 k = 0.4541 0.5320 0.1217 ( 11804 PWs) bands (ev): -98.3732 -98.3732 -98.3731 -98.3731 -98.3715 -98.3715 -98.3715 -98.3715 -98.2715 -98.2715 -98.2715 -98.2715 -6.6817 -6.6817 -6.5139 -6.5139 -6.4918 -6.4918 -5.6308 -5.6308 -3.4709 -3.4709 -2.2249 -2.2249 -2.1340 -2.1340 -2.0917 -2.0917 -2.0436 -2.0436 -1.9403 -1.9403 -1.8379 -1.8379 -1.5099 -1.5099 4.3014 4.3014 4.8841 4.8841 5.1211 5.1211 5.2991 5.2991 k = 0.4607 0.5253 0.1043 ( 11824 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3715 -98.3715 -98.2715 -98.2715 -98.2715 -98.2715 -6.6920 -6.6920 -6.5279 -6.5279 -6.5050 -6.5050 -5.6425 -5.6425 -3.4305 -3.4305 -2.2247 -2.2247 -2.1261 -2.1261 -2.0611 -2.0611 -2.0278 -2.0278 -1.9280 -1.9280 -1.8370 -1.8370 -1.4968 -1.4968 4.2297 4.2297 4.8883 4.8883 5.1321 5.1321 5.2838 5.2838 k = 0.4672 0.5185 0.0869 ( 11812 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3715 -98.3715 -98.2715 -98.2715 -98.2715 -98.2715 -6.7008 -6.7008 -6.5397 -6.5397 -6.5162 -6.5162 -5.6524 -5.6524 -3.3957 -3.3957 -2.2247 -2.2247 -2.1196 -2.1196 -2.0360 -2.0360 -2.0143 -2.0143 -1.9159 -1.9159 -1.8362 -1.8362 -1.4856 -1.4856 4.1679 4.1679 4.8921 4.8921 5.1422 5.1422 5.2709 5.2709 k = 0.4738 0.5118 0.0695 ( 11810 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3715 -98.3715 -98.2715 -98.2715 -98.2715 -98.2715 -6.7080 -6.7080 -6.5494 -6.5494 -6.5254 -6.5254 -5.6605 -5.6605 -3.3667 -3.3667 -2.2247 -2.2247 -2.1142 -2.1142 -2.0165 -2.0165 -2.0032 -2.0032 -1.9045 -1.9045 -1.8355 -1.8355 -1.4763 -1.4763 4.1164 4.1164 4.8953 4.8953 5.1510 5.1510 5.2603 5.2603 k = 0.4803 0.5050 0.0522 ( 11798 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3714 -98.3714 -98.2715 -98.2715 -98.2715 -98.2715 -6.7137 -6.7137 -6.5570 -6.5570 -6.5326 -6.5326 -5.6668 -5.6668 -3.3440 -3.3440 -2.2248 -2.2248 -2.1102 -2.1102 -2.0020 -2.0020 -1.9946 -1.9946 -1.8945 -1.8945 -1.8350 -1.8350 -1.4690 -1.4690 4.0760 4.0760 4.8978 4.8978 5.1582 5.1582 5.2520 5.2520 k = 0.4869 0.4982 0.0348 ( 11810 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3714 -98.3714 -98.2715 -98.2715 -98.2715 -98.2715 -6.7177 -6.7177 -6.5624 -6.5624 -6.5377 -6.5377 -5.6713 -5.6713 -3.3276 -3.3276 -2.2248 -2.2248 -2.1073 -2.1073 -1.9921 -1.9921 -1.9884 -1.9884 -1.8867 -1.8867 -1.8346 -1.8346 -1.4638 -1.4638 4.0468 4.0468 4.8997 4.8997 5.1635 5.1635 5.2461 5.2461 k = 0.4934 0.4915 0.0174 ( 11806 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3714 -98.3714 -98.2715 -98.2715 -98.2715 -98.2715 -6.7202 -6.7202 -6.5656 -6.5656 -6.5407 -6.5407 -5.6740 -5.6740 -3.3177 -3.3177 -2.2249 -2.2249 -2.1055 -2.1055 -1.9864 -1.9864 -1.9847 -1.9847 -1.8817 -1.8817 -1.8344 -1.8344 -1.4606 -1.4606 4.0292 4.0292 4.9008 4.9008 5.1667 5.1667 5.2425 5.2425 k = 0.5000 0.4847-0.0000 ( 11812 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3714 -98.3714 -98.2715 -98.2715 -98.2715 -98.2715 -6.7210 -6.7210 -6.5667 -6.5667 -6.5418 -6.5418 -5.6749 -5.6749 -3.3144 -3.3144 -2.2249 -2.2249 -2.1050 -2.1050 -1.9845 -1.9845 -1.9834 -1.9834 -1.8800 -1.8800 -1.8343 -1.8343 -1.4596 -1.4596 4.0233 4.0233 4.9012 4.9012 5.1679 5.1679 5.2414 5.2414 k = 0.5000 0.4847-0.0000 ( 11812 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3714 -98.3714 -98.2715 -98.2715 -98.2715 -98.2715 -6.7210 -6.7210 -6.5667 -6.5667 -6.5418 -6.5418 -5.6749 -5.6749 -3.3144 -3.3144 -2.2249 -2.2249 -2.1050 -2.1050 -1.9845 -1.9845 -1.9834 -1.9834 -1.8800 -1.8800 -1.8343 -1.8343 -1.4596 -1.4596 4.0233 4.0233 4.9012 4.9012 5.1679 5.1679 5.2414 5.2414 k = 0.4861 0.4712-0.0000 ( 11812 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3714 -98.3714 -98.2715 -98.2715 -98.2715 -98.2715 -6.7493 -6.7493 -6.5408 -6.5408 -6.5366 -6.5366 -5.6741 -5.6741 -3.3141 -3.3141 -2.2271 -2.2271 -2.1348 -2.1348 -1.9838 -1.9838 -1.9572 -1.9572 -1.8805 -1.8805 -1.8344 -1.8344 -1.4607 -1.4607 4.0242 4.0242 4.8984 4.8984 5.1704 5.1704 5.2445 5.2445 k = 0.4722 0.4578-0.0000 ( 11810 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3714 -98.3714 -98.2715 -98.2715 -98.2715 -98.2715 -6.8059 -6.8059 -6.5379 -6.5379 -6.4748 -6.4748 -5.6716 -5.6716 -3.3134 -3.3134 -2.2336 -2.2336 -2.1932 -2.1932 -1.9851 -1.9851 -1.9064 -1.9064 -1.8818 -1.8818 -1.8348 -1.8348 -1.4642 -1.4642 4.0269 4.0269 4.8907 4.8907 5.1780 5.1780 5.2541 5.2541 k = 0.4583 0.4443-0.0000 ( 11802 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3714 -98.3714 -98.2715 -98.2715 -98.2715 -98.2715 -6.8688 -6.8688 -6.5331 -6.5331 -6.4032 -6.4032 -5.6675 -5.6675 -3.3124 -3.3124 -2.2594 -2.2594 -2.2445 -2.2445 -1.9871 -1.9871 -1.8840 -1.8840 -1.8527 -1.8527 -1.8353 -1.8353 -1.4699 -1.4699 4.0314 4.0314 4.8798 4.8798 5.1908 5.1908 5.2700 5.2700 k = 0.4444 0.4308-0.0000 ( 11806 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3714 -98.3714 -98.2715 -98.2715 -98.2715 -98.2715 -6.9326 -6.9326 -6.5263 -6.5263 -6.3271 -6.3271 -5.6617 -5.6617 -3.3112 -3.3112 -2.3286 -2.3286 -2.2595 -2.2595 -1.9899 -1.9899 -1.8871 -1.8871 -1.8361 -1.8361 -1.8008 -1.8008 -1.4780 -1.4780 4.0377 4.0377 4.8676 4.8676 5.2085 5.2085 5.2921 5.2921 k = 0.4306 0.4174-0.0000 ( 11806 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3714 -98.3714 -98.2715 -98.2715 -98.2715 -98.2715 -6.9958 -6.9958 -6.5176 -6.5176 -6.2483 -6.2483 -5.6543 -5.6543 -3.3101 -3.3101 -2.3991 -2.3991 -2.2787 -2.2787 -1.9935 -1.9935 -1.8910 -1.8910 -1.8372 -1.8372 -1.7518 -1.7518 -1.4885 -1.4885 4.0458 4.0458 4.8560 4.8560 5.2313 5.2313 5.3202 5.3202 k = 0.4167 0.4039-0.0000 ( 11804 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3714 -98.3714 -98.2715 -98.2715 -98.2715 -98.2715 -7.0577 -7.0577 -6.5070 -6.5070 -6.1672 -6.1672 -5.6452 -5.6452 -3.3097 -3.3097 -2.4697 -2.4697 -2.3018 -2.3018 -1.9978 -1.9978 -1.8957 -1.8957 -1.8384 -1.8384 -1.7067 -1.7067 -1.5015 -1.5015 4.0557 4.0557 4.8464 4.8464 5.2591 5.2591 5.3543 5.3543 k = 0.4028 0.3905-0.0000 ( 11816 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3714 -98.3714 -98.2715 -98.2715 -98.2715 -98.2715 -7.1181 -7.1181 -6.4945 -6.4945 -6.0843 -6.0843 -5.6346 -5.6346 -3.3106 -3.3106 -2.5393 -2.5393 -2.3287 -2.3287 -2.0027 -2.0027 -1.9012 -1.9012 -1.8399 -1.8399 -1.6657 -1.6657 -1.5170 -1.5170 4.0673 4.0673 4.8396 4.8396 5.2919 5.2919 5.3941 5.3941 k = 0.3889 0.3770-0.0000 ( 11812 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3714 -98.3714 -98.2715 -98.2715 -98.2715 -98.2715 -7.1768 -7.1768 -6.4801 -6.4801 -5.9996 -5.9996 -5.6224 -5.6224 -3.3137 -3.3137 -2.6066 -2.6066 -2.3592 -2.3592 -2.0082 -2.0082 -1.9073 -1.9073 -1.8416 -1.8416 -1.6293 -1.6293 -1.5350 -1.5350 4.0807 4.0807 4.8363 4.8363 5.3295 5.3295 5.4393 5.4393 k = 0.3750 0.3635-0.0000 ( 11810 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3715 -98.3715 -98.2715 -98.2715 -98.2715 -98.2715 -7.2337 -7.2337 -6.4639 -6.4639 -5.9133 -5.9133 -5.6087 -5.6087 -3.3204 -3.3204 -2.6700 -2.6700 -2.3930 -2.3930 -2.0143 -2.0143 -1.9141 -1.9141 -1.8436 -1.8436 -1.5974 -1.5974 -1.5557 -1.5557 4.0958 4.0958 4.8370 4.8370 5.3720 5.3720 5.4898 5.4898 k = 0.3611 0.3501-0.0000 ( 11812 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3715 -98.3715 -98.2715 -98.2715 -98.2715 -98.2715 -7.2888 -7.2888 -6.4457 -6.4457 -5.8255 -5.8255 -5.5935 -5.5935 -3.3323 -3.3323 -2.7275 -2.7275 -2.4299 -2.4299 -2.0209 -2.0209 -1.9214 -1.9214 -1.8457 -1.8457 -1.5791 -1.5791 -1.5705 -1.5705 4.1126 4.1126 4.8416 4.8416 5.4193 5.4193 5.5453 5.5453 k = 0.3472 0.3366-0.0000 ( 11808 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3715 -98.3715 -98.2715 -98.2715 -98.2715 -98.2715 -7.3420 -7.3420 -6.4257 -6.4257 -5.7363 -5.7363 -5.5768 -5.5768 -3.3513 -3.3513 -2.7771 -2.7771 -2.4697 -2.4697 -2.0279 -2.0279 -1.9293 -1.9293 -1.8481 -1.8481 -1.6052 -1.6052 -1.5484 -1.5484 4.1310 4.1310 4.8501 4.8501 5.4713 5.4713 5.6054 5.6054 k = 0.3333 0.3231-0.0000 ( 11814 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3715 -98.3715 -98.2715 -98.2715 -98.2715 -98.2715 -7.3933 -7.3933 -6.4039 -6.4039 -5.6457 -5.6457 -5.5587 -5.5587 -3.3791 -3.3791 -2.8168 -2.8168 -2.5120 -2.5120 -2.0353 -2.0353 -1.9376 -1.9376 -1.8507 -1.8507 -1.6342 -1.6342 -1.5313 -1.5313 4.1511 4.1511 4.8623 4.8623 5.5279 5.5279 5.6051 5.6051 k = 0.3194 0.3097-0.0000 ( 11818 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3715 -98.3715 -98.2715 -98.2715 -98.2715 -98.2715 -7.4426 -7.4426 -6.3803 -6.3803 -5.5538 -5.5538 -5.5392 -5.5392 -3.4168 -3.4168 -2.8453 -2.8453 -2.5567 -2.5567 -2.0430 -2.0430 -1.9464 -1.9464 -1.8534 -1.8534 -1.6661 -1.6661 -1.5192 -1.5192 4.1727 4.1727 4.8777 4.8777 5.5543 5.5543 5.5890 5.5890 k = 0.3056 0.2962-0.0000 ( 11812 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3715 -98.3715 -98.2715 -98.2715 -98.2715 -98.2715 -7.4900 -7.4900 -6.3549 -6.3549 -5.5185 -5.5185 -5.4607 -5.4607 -3.4644 -3.4644 -2.8625 -2.8625 -2.6033 -2.6033 -2.0509 -2.0509 -1.9556 -1.9556 -1.8562 -1.8562 -1.7008 -1.7008 -1.5120 -1.5120 4.1958 4.1958 4.8955 4.8955 5.4991 5.4991 5.6546 5.6546 k = 0.2917 0.2827-0.0000 ( 11818 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3715 -98.3715 -98.2715 -98.2715 -98.2715 -98.2715 -7.5353 -7.5353 -6.3278 -6.3278 -5.4965 -5.4965 -5.3665 -5.3665 -3.5205 -3.5205 -2.8696 -2.8696 -2.6517 -2.6517 -2.0590 -2.0590 -1.9652 -1.9652 -1.8593 -1.8593 -1.7384 -1.7384 -1.5095 -1.5095 4.2203 4.2203 4.9152 4.9152 5.4406 5.4406 5.7246 5.7246 k = 0.2778 0.2693-0.0000 ( 11814 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3715 -98.3715 -98.2715 -98.2715 -98.2715 -98.2715 -7.5786 -7.5786 -6.2990 -6.2990 -5.4734 -5.4734 -5.2713 -5.2713 -3.5834 -3.5834 -2.8680 -2.8680 -2.7015 -2.7015 -2.0672 -2.0672 -1.9753 -1.9753 -1.8624 -1.8624 -1.7787 -1.7787 -1.5117 -1.5117 4.2461 4.2461 4.9358 4.9358 5.3797 5.3797 5.7989 5.7989 k = 0.2639 0.2558-0.0000 ( 11802 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3715 -98.3715 -98.2715 -98.2715 -98.2715 -98.2715 -7.6199 -7.6199 -6.2685 -6.2685 -5.4492 -5.4492 -5.1750 -5.1750 -3.6514 -3.6514 -2.8595 -2.8595 -2.7524 -2.7524 -2.0754 -2.0754 -1.9862 -1.9862 -1.8655 -1.8655 -1.8215 -1.8215 -1.5183 -1.5183 4.2732 4.2732 4.9564 4.9564 5.3174 5.3174 5.8556 5.8557 k = 0.2500 0.2424-0.0000 ( 11804 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3715 -98.3715 -98.2715 -98.2715 -98.2715 -98.2715 -7.6592 -7.6592 -6.2365 -6.2365 -5.4240 -5.4240 -5.0779 -5.0779 -3.7229 -3.7229 -2.8453 -2.8453 -2.8042 -2.8042 -2.0836 -2.0836 -1.9984 -1.9984 -1.8688 -1.8688 -1.8660 -1.8660 -1.5292 -1.5292 4.3013 4.3013 4.9761 4.9761 5.2548 5.2548 5.9013 5.9013 k = 0.2361 0.2289-0.0000 ( 11796 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3715 -98.3715 -98.2715 -98.2715 -98.2715 -98.2715 -7.6964 -7.6964 -6.2029 -6.2029 -5.3981 -5.3981 -4.9799 -4.9799 -3.7967 -3.7967 -2.8564 -2.8564 -2.8267 -2.8267 -2.0917 -2.0917 -2.0137 -2.0137 -1.9107 -1.9107 -1.8721 -1.8721 -1.5441 -1.5441 4.3303 4.3303 4.9942 4.9942 5.1926 5.1926 5.9530 5.9530 k = 0.2222 0.2154-0.0000 ( 11788 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3715 -98.3715 -98.2715 -98.2715 -98.2715 -98.2715 -7.7315 -7.7315 -6.1678 -6.1678 -5.3714 -5.3714 -4.8813 -4.8813 -3.8718 -3.8718 -2.9088 -2.9088 -2.8044 -2.8044 -2.0998 -2.0998 -2.0362 -2.0362 -1.9512 -1.9512 -1.8753 -1.8753 -1.5627 -1.5627 4.3601 4.3601 5.0102 5.0102 5.1316 5.1316 6.0112 6.0112 k = 0.2083 0.2020-0.0000 ( 11798 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3715 -98.3715 -98.2715 -98.2715 -98.2715 -98.2715 -7.7645 -7.7645 -6.1314 -6.1314 -5.3442 -5.3442 -4.7820 -4.7820 -3.9475 -3.9475 -2.9611 -2.9611 -2.7790 -2.7790 -2.1076 -2.1076 -2.0721 -2.0721 -1.9811 -1.9811 -1.8786 -1.8786 -1.5849 -1.5849 4.3905 4.3905 5.0236 5.0236 5.0724 5.0724 6.0764 6.0764 k = 0.1944 0.1885-0.0000 ( 11802 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3715 -98.3715 -98.2715 -98.2715 -98.2715 -98.2715 -7.7955 -7.7955 -6.0938 -6.0938 -5.3166 -5.3166 -4.6822 -4.6822 -4.0232 -4.0232 -3.0128 -3.0128 -2.7510 -2.7510 -2.1218 -2.1218 -2.1151 -2.1151 -2.0002 -2.0002 -1.8818 -1.8818 -1.6102 -1.6102 4.4211 4.4211 5.0156 5.0156 5.0344 5.0344 6.1486 6.1486 k = 0.1806 0.1750-0.0000 ( 11806 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3715 -98.3715 -98.2715 -98.2715 -98.2715 -98.2715 -7.8243 -7.8243 -6.0550 -6.0550 -5.2889 -5.2889 -4.5820 -4.5820 -4.0984 -4.0984 -3.0638 -3.0638 -2.7208 -2.7208 -2.1801 -2.1801 -2.1224 -2.1224 -2.0133 -2.0133 -1.8848 -1.8848 -1.6385 -1.6385 4.4517 4.4517 4.9617 4.9617 5.0426 5.0426 6.2275 6.2275 k = 0.1667 0.1616-0.0000 ( 11788 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3715 -98.3715 -98.2715 -98.2715 -98.2715 -98.2715 -7.8510 -7.8510 -6.0153 -6.0153 -5.2612 -5.2612 -4.4816 -4.4816 -4.1725 -4.1725 -3.1135 -3.1135 -2.6887 -2.6887 -2.2438 -2.2438 -2.1293 -2.1293 -2.0236 -2.0236 -1.8878 -1.8878 -1.6693 -1.6693 4.4818 4.4818 4.9113 4.9113 5.0485 5.0485 6.3125 6.3125 k = 0.1528 0.1481-0.0000 ( 11780 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3715 -98.3715 -98.2715 -98.2715 -98.2715 -98.2715 -7.8757 -7.8757 -5.9748 -5.9748 -5.2338 -5.2338 -4.3810 -4.3810 -4.2452 -4.2452 -3.1616 -3.1616 -2.6549 -2.6549 -2.3114 -2.3114 -2.1359 -2.1359 -2.0323 -2.0323 -1.8907 -1.8907 -1.7025 -1.7025 4.5110 4.5110 4.8648 4.8648 5.0524 5.0524 6.3806 6.3806 k = 0.1389 0.1346-0.0000 ( 11778 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3715 -98.3715 -98.2715 -98.2715 -98.2715 -98.2715 -7.8982 -7.8982 -5.9339 -5.9339 -5.2069 -5.2069 -4.3160 -4.3160 -4.2805 -4.2805 -3.2078 -3.2078 -2.6196 -2.6196 -2.3824 -2.3824 -2.1420 -2.1420 -2.0399 -2.0399 -1.8934 -1.8934 -1.7376 -1.7376 4.5386 4.5386 4.8229 4.8229 5.0547 5.0547 6.3801 6.3801 k = 0.1250 0.1212-0.0000 ( 11783 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3715 -98.3715 -98.2715 -98.2715 -98.2715 -98.2715 -7.9185 -7.9185 -5.8929 -5.8929 -5.1810 -5.1810 -4.3844 -4.3844 -4.1802 -4.1802 -3.2515 -3.2515 -2.5831 -2.5831 -2.4562 -2.4562 -2.1477 -2.1477 -2.0467 -2.0467 -1.8959 -1.8959 -1.7744 -1.7744 4.5635 4.5635 4.7864 4.7864 5.0556 5.0556 6.3781 6.3781 k = 0.1111 0.1077-0.0000 ( 11781 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3715 -98.3715 -98.2715 -98.2715 -98.2715 -98.2715 -7.9368 -7.9368 -5.8522 -5.8522 -5.1563 -5.1563 -4.4499 -4.4499 -4.0804 -4.0804 -3.2925 -3.2925 -2.5456 -2.5456 -2.5324 -2.5324 -2.1528 -2.1528 -2.0526 -2.0526 -1.8982 -1.8982 -1.8125 -1.8125 4.5840 4.5840 4.7569 4.7569 5.0555 5.0555 6.3748 6.3748 k = 0.0972 0.0942-0.0000 ( 11783 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3715 -98.3715 -98.2715 -98.2715 -98.2715 -98.2715 -7.9529 -7.9529 -5.8124 -5.8124 -5.1331 -5.1331 -4.5118 -4.5118 -3.9814 -3.9814 -3.3301 -3.3301 -2.6108 -2.6108 -2.5074 -2.5074 -2.1575 -2.1575 -2.0579 -2.0579 -1.9003 -1.9003 -1.8516 -1.8516 4.5975 4.5975 4.7366 4.7366 5.0548 5.0548 6.3704 6.3704 k = 0.0833 0.0808-0.0000 ( 11785 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3715 -98.3715 -98.2715 -98.2715 -98.2715 -98.2715 -7.9668 -7.9668 -5.7741 -5.7741 -5.1119 -5.1119 -4.5693 -4.5693 -3.8835 -3.8835 -3.3640 -3.3640 -2.6909 -2.6909 -2.4688 -2.4688 -2.1615 -2.1615 -2.0625 -2.0625 -1.9021 -1.9021 -1.8911 -1.8911 4.6016 4.6016 4.7278 4.7278 5.0537 5.0537 6.3653 6.3653 k = 0.0694 0.0673-0.0000 ( 11793 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3715 -98.3715 -98.2715 -98.2715 -98.2715 -98.2715 -7.9787 -7.9787 -5.7383 -5.7383 -5.0931 -5.0931 -4.6215 -4.6215 -3.7875 -3.7875 -3.3936 -3.3936 -2.7719 -2.7719 -2.4303 -2.4303 -2.1650 -2.1650 -2.0664 -2.0664 -1.9306 -1.9306 -1.9037 -1.9037 4.5968 4.5968 4.7293 4.7293 5.0524 5.0524 6.3598 6.3598 k = 0.0556 0.0539-0.0000 ( 11799 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3715 -98.3715 -98.2715 -98.2715 -98.2715 -98.2715 -7.9883 -7.9883 -5.7061 -5.7061 -5.0771 -5.0771 -4.6672 -4.6672 -3.6942 -3.6942 -3.4187 -3.4187 -2.8530 -2.8530 -2.3926 -2.3926 -2.1679 -2.1679 -2.0696 -2.0696 -1.9692 -1.9692 -1.9050 -1.9050 4.5876 4.5876 4.7365 4.7365 5.0511 5.0511 6.3544 6.3544 k = 0.0417 0.0404-0.0000 ( 11775 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3715 -98.3715 -98.2715 -98.2715 -98.2715 -98.2715 -7.9959 -7.9959 -5.6788 -5.6788 -5.0641 -5.0641 -4.7050 -4.7050 -3.6056 -3.6056 -3.4386 -3.4386 -2.9321 -2.9321 -2.3569 -2.3569 -2.1701 -2.1701 -2.0720 -2.0720 -2.0057 -2.0057 -1.9060 -1.9060 4.5780 4.5780 4.7451 4.7451 5.0499 5.0499 6.3497 6.3497 k = 0.0278 0.0269-0.0000 ( 11771 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3714 -98.3714 -98.2715 -98.2715 -98.2715 -98.2715 -8.0013 -8.0013 -5.6578 -5.6578 -5.0547 -5.0547 -4.7335 -4.7335 -3.5257 -3.5257 -3.4531 -3.4531 -3.0052 -3.0052 -2.3256 -2.3256 -2.1717 -2.1717 -2.0738 -2.0738 -2.0376 -2.0376 -1.9068 -1.9068 4.5701 4.5701 4.7524 4.7524 5.0490 5.0490 6.3460 6.3460 k = 0.0139 0.0135-0.0000 ( 11755 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3714 -98.3714 -98.2715 -98.2715 -98.2715 -98.2715 -8.0045 -8.0045 -5.6446 -5.6446 -5.0488 -5.0488 -4.7513 -4.7513 -3.4639 -3.4639 -3.4620 -3.4620 -3.0629 -3.0629 -2.3027 -2.3027 -2.1727 -2.1727 -2.0749 -2.0749 -2.0609 -2.0609 -1.9072 -1.9072 4.5651 4.5651 4.7572 4.7572 5.0484 5.0484 6.3436 6.3436 k = 0.0000 0.0000 0.0000 ( 11763 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3714 -98.3714 -98.2715 -98.2715 -98.2715 -98.2715 -8.0056 -8.0056 -5.6400 -5.6400 -5.0469 -5.0469 -4.7573 -4.7573 -3.4649 -3.4649 -3.4388 -3.4388 -3.0866 -3.0866 -2.2939 -2.2939 -2.1730 -2.1730 -2.0752 -2.0752 -2.0698 -2.0698 -1.9074 -1.9074 4.5633 4.5633 4.7589 4.7589 5.0482 5.0482 6.3427 6.3427 k = 0.0000 0.0000 0.0000 ( 11763 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3714 -98.3714 -98.2715 -98.2715 -98.2715 -98.2715 -8.0056 -8.0056 -5.6400 -5.6400 -5.0469 -5.0469 -4.7573 -4.7573 -3.4649 -3.4649 -3.4388 -3.4388 -3.0866 -3.0866 -2.2939 -2.2939 -2.1730 -2.1730 -2.0752 -2.0752 -2.0698 -2.0698 -1.9074 -1.9074 4.5633 4.5633 4.7589 4.7589 5.0482 5.0482 6.3427 6.3427 k = 0.0120-0.0124 0.0093 ( 11761 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3714 -98.3714 -98.2715 -98.2715 -98.2715 -98.2715 -8.0045 -8.0045 -5.6423 -5.6423 -5.0679 -5.0679 -4.7350 -4.7350 -3.4617 -3.4617 -3.4381 -3.4381 -3.0890 -3.0890 -2.2932 -2.2932 -2.1739 -2.1739 -2.0846 -2.0846 -2.0695 -2.0695 -1.8986 -1.8986 4.5645 4.5645 4.7592 4.7592 5.0459 5.0459 6.3462 6.3462 k = 0.0240-0.0247 0.0187 ( 11767 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3715 -98.3715 -98.2715 -98.2715 -98.2715 -98.2715 -8.0012 -8.0012 -5.6488 -5.6488 -5.1182 -5.1182 -4.6804 -4.6804 -3.4521 -3.4521 -3.4361 -3.4361 -3.0962 -3.0962 -2.2909 -2.2909 -2.1763 -2.1763 -2.1083 -2.1083 -2.0686 -2.0686 -1.8766 -1.8766 4.5681 4.5681 4.7601 4.7601 5.0390 5.0390 6.3566 6.3566 k = 0.0360-0.0371 0.0280 ( 11755 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3714 -98.3714 -98.2715 -98.2715 -98.2715 -98.2715 -7.9958 -7.9958 -5.6597 -5.6597 -5.1814 -5.1814 -4.6103 -4.6103 -3.4362 -3.4362 -3.4326 -3.4326 -3.1082 -3.1082 -2.2872 -2.2872 -2.1803 -2.1803 -2.1398 -2.1398 -2.0671 -2.0671 -1.8480 -1.8480 4.5739 4.5739 4.7615 4.7615 5.0277 5.0277 6.3739 6.3739 k = 0.0480-0.0495 0.0373 ( 11751 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3714 -98.3714 -98.2715 -98.2715 -98.2715 -98.2715 -7.9882 -7.9882 -5.6745 -5.6745 -5.2494 -5.2494 -4.5325 -4.5325 -3.4278 -3.4278 -3.4144 -3.4144 -3.1251 -3.1251 -2.2819 -2.2819 -2.1854 -2.1854 -2.1752 -2.1752 -2.0650 -2.0650 -1.8168 -1.8168 4.5818 4.5818 4.7635 4.7635 5.0122 5.0122 6.3981 6.3981 k = 0.0599-0.0618 0.0467 ( 11763 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3714 -98.3714 -98.2715 -98.2715 -98.2715 -98.2715 -7.9785 -7.9785 -5.6930 -5.6930 -5.3191 -5.3191 -4.4504 -4.4504 -3.4217 -3.4217 -3.3869 -3.3869 -3.1472 -3.1472 -2.2751 -2.2751 -2.2125 -2.2125 -2.1915 -2.1915 -2.0623 -2.0623 -1.7847 -1.7847 4.5914 4.5914 4.7662 4.7662 4.9927 4.9927 6.4289 6.4289 k = 0.0719-0.0742 0.0560 ( 11763 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3714 -98.3714 -98.2715 -98.2715 -98.2715 -98.2715 -7.9666 -7.9666 -5.7149 -5.7149 -5.3888 -5.3888 -4.3655 -4.3655 -3.4143 -3.4143 -3.3542 -3.3542 -3.1744 -3.1744 -2.2669 -2.2669 -2.2508 -2.2508 -2.1981 -2.1981 -2.0591 -2.0591 -1.7529 -1.7529 4.6026 4.6026 4.7695 4.7695 4.9697 4.9697 6.4663 6.4663 k = 0.0839-0.0866 0.0653 ( 11767 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3714 -98.3714 -98.2715 -98.2715 -98.2715 -98.2715 -7.9525 -7.9525 -5.7397 -5.7397 -5.4579 -5.4579 -4.2786 -4.2786 -3.4056 -3.4056 -3.3168 -3.3168 -3.2069 -3.2069 -2.2894 -2.2894 -2.2571 -2.2571 -2.2049 -2.2049 -2.0553 -2.0553 -1.7220 -1.7220 4.6148 4.6148 4.7735 4.7735 4.9435 4.9435 6.5098 6.5098 k = 0.0959-0.0989 0.0747 ( 11771 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3714 -98.3714 -98.2715 -98.2715 -98.2715 -98.2715 -7.9363 -7.9363 -5.7671 -5.7671 -5.5260 -5.5260 -4.1901 -4.1901 -3.3957 -3.3957 -3.2750 -3.2750 -3.2447 -3.2447 -2.3279 -2.3279 -2.2459 -2.2459 -2.2116 -2.2116 -2.0510 -2.0510 -1.6924 -1.6924 4.6279 4.6279 4.7782 4.7782 4.9145 4.9145 6.5576 6.5576 k = 0.1079-0.1113 0.0840 ( 11761 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3714 -98.3714 -98.2715 -98.2715 -98.2715 -98.2715 -7.9180 -7.9180 -5.7967 -5.7967 -5.5928 -5.5928 -4.1004 -4.1004 -3.3846 -3.3846 -3.2878 -3.2878 -3.2295 -3.2295 -2.3661 -2.3661 -2.2332 -2.2332 -2.2179 -2.2179 -2.0462 -2.0462 -1.6643 -1.6643 4.6414 4.6414 4.7837 4.7837 4.8831 4.8831 6.4627 6.4627 k = 0.1199-0.1237 0.0933 ( 11763 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3714 -98.3714 -98.2715 -98.2715 -98.2715 -98.2715 -7.8975 -7.8975 -5.8281 -5.8281 -5.6581 -5.6581 -4.0097 -4.0097 -3.3725 -3.3725 -3.3361 -3.3361 -3.1807 -3.1807 -2.4037 -2.4037 -2.2234 -2.2234 -2.2190 -2.2190 -2.0409 -2.0409 -1.6380 -1.6380 4.6551 4.6551 4.7901 4.7901 4.8497 4.8497 6.3697 6.3697 k = 0.1319-0.1360 0.1027 ( 11771 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3714 -98.3714 -98.2715 -98.2715 -98.2715 -98.2715 -7.8749 -7.8749 -5.8609 -5.8609 -5.7219 -5.7219 -3.9181 -3.9181 -3.3896 -3.3896 -3.3595 -3.3595 -3.1290 -3.1290 -2.4403 -2.4403 -2.2279 -2.2279 -2.2034 -2.2034 -2.0351 -2.0351 -1.6137 -1.6137 4.6687 4.6687 4.7973 4.7973 4.8146 4.8146 6.2788 6.2788 k = 0.1439-0.1484 0.1120 ( 11773 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3714 -98.3714 -98.2715 -98.2715 -98.2715 -98.2715 -7.8502 -7.8502 -5.8948 -5.8948 -5.7840 -5.7840 -3.8260 -3.8260 -3.4479 -3.4479 -3.3456 -3.3456 -3.0750 -3.0750 -2.4759 -2.4759 -2.2314 -2.2314 -2.1863 -2.1863 -2.0289 -2.0289 -1.5916 -1.5916 4.6820 4.6820 4.7783 4.7783 4.8055 4.8055 6.1903 6.1903 k = 0.1559-0.1608 0.1213 ( 11769 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3714 -98.3714 -98.2715 -98.2715 -98.2715 -98.2715 -7.8234 -7.8234 -5.9295 -5.9295 -5.8443 -5.8443 -3.7334 -3.7334 -3.5109 -3.5109 -3.3310 -3.3310 -3.0192 -3.0192 -2.5102 -2.5102 -2.2338 -2.2338 -2.1677 -2.1677 -2.0223 -2.0223 -1.5719 -1.5719 4.6947 4.6947 4.7410 4.7410 4.8147 4.8147 6.1043 6.1043 k = 0.1679-0.1732 0.1307 ( 11771 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3714 -98.3714 -98.2715 -98.2715 -98.2715 -98.2715 -7.7945 -7.7945 -5.9647 -5.9647 -5.9029 -5.9029 -3.6405 -3.6405 -3.5782 -3.5782 -3.3159 -3.3159 -2.9620 -2.9620 -2.5428 -2.5428 -2.2349 -2.2349 -2.1477 -2.1477 -2.0153 -2.0153 -1.5546 -1.5546 4.7031 4.7031 4.7068 4.7068 4.8250 4.8250 6.0212 6.0212 k = 0.1798-0.1855 0.1400 ( 11757 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3714 -98.3714 -98.2715 -98.2715 -98.2715 -98.2715 -7.7636 -7.7636 -6.0001 -6.0001 -5.9597 -5.9597 -3.6494 -3.6494 -3.5476 -3.5476 -3.3005 -3.3005 -2.9039 -2.9039 -2.5735 -2.5735 -2.2349 -2.2349 -2.1263 -2.1263 -2.0080 -2.0080 -1.5400 -1.5400 4.6648 4.6648 4.7182 4.7182 4.8364 4.8364 5.9409 5.9409 k = 0.1918-0.1979 0.1493 ( 11757 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3714 -98.3714 -98.2715 -98.2715 -98.2715 -98.2715 -7.7306 -7.7306 -6.0355 -6.0355 -6.0145 -6.0145 -3.7242 -3.7242 -3.4546 -3.4546 -3.2851 -3.2851 -2.8452 -2.8452 -2.6020 -2.6020 -2.2337 -2.2337 -2.1034 -2.1034 -2.0004 -2.0004 -1.5280 -1.5280 4.6264 4.6264 4.7288 4.7288 4.8490 4.8490 5.8637 5.8637 k = 0.2038-0.2103 0.1587 ( 11751 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3714 -98.3714 -98.2715 -98.2715 -98.2715 -98.2715 -7.6956 -7.6956 -6.0707 -6.0707 -6.0675 -6.0675 -3.8022 -3.8022 -3.3620 -3.3620 -3.2699 -3.2699 -2.7865 -2.7865 -2.6279 -2.6279 -2.2315 -2.2315 -2.0790 -2.0790 -1.9925 -1.9925 -1.5189 -1.5189 4.5881 4.5881 4.7385 4.7385 4.8628 4.8628 5.7898 5.7898 k = 0.2158-0.2226 0.1680 ( 11763 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3714 -98.3714 -98.2715 -98.2715 -98.2715 -98.2715 -7.6586 -7.6586 -6.1185 -6.1185 -6.1055 -6.1055 -3.8831 -3.8831 -3.2698 -3.2698 -3.2555 -3.2555 -2.7281 -2.7281 -2.6508 -2.6508 -2.2282 -2.2282 -2.0533 -2.0533 -1.9844 -1.9844 -1.5126 -1.5126 4.5500 4.5500 4.7475 4.7475 4.8778 4.8778 5.7194 5.7194 k = 0.2278-0.2350 0.1773 ( 11757 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3714 -98.3714 -98.2715 -98.2715 -98.2715 -98.2715 -7.6196 -7.6196 -6.1676 -6.1676 -6.1397 -6.1397 -3.9665 -3.9665 -3.2422 -3.2422 -3.1783 -3.1783 -2.6705 -2.6705 -2.6702 -2.6702 -2.2242 -2.2242 -2.0261 -2.0261 -1.9761 -1.9761 -1.5092 -1.5092 4.5125 4.5125 4.7558 4.7558 4.8940 4.8940 5.6525 5.6525 k = 0.2398-0.2474 0.1867 ( 11779 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3714 -98.3714 -98.2715 -98.2715 -98.2715 -98.2715 -7.5787 -7.5787 -6.2147 -6.2147 -6.1732 -6.1732 -4.0519 -4.0519 -3.2305 -3.2305 -3.0876 -3.0876 -2.6856 -2.6856 -2.6139 -2.6139 -2.2193 -2.2193 -1.9977 -1.9977 -1.9677 -1.9677 -1.5088 -1.5088 4.4756 4.4756 4.7634 4.7634 4.9115 4.9115 5.5893 5.5893 k = 0.2518-0.2597 0.1960 ( 11767 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3714 -98.3714 -98.2715 -98.2715 -98.2715 -98.2715 -7.5359 -7.5359 -6.2597 -6.2597 -6.2059 -6.2059 -4.1392 -4.1392 -3.2208 -3.2208 -2.9980 -2.9980 -2.6965 -2.6965 -2.5589 -2.5589 -2.2138 -2.2138 -1.9679 -1.9679 -1.9592 -1.9592 -1.5113 -1.5113 4.4394 4.4394 4.7705 4.7705 4.9302 4.9302 5.5300 5.5300 k = 0.2638-0.2721 0.2053 ( 11777 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3714 -98.3714 -98.2715 -98.2715 -98.2715 -98.2715 -7.4912 -7.4912 -6.3028 -6.3028 -6.2376 -6.2376 -4.2278 -4.2278 -3.2137 -3.2137 -2.9098 -2.9098 -2.7025 -2.7025 -2.5056 -2.5056 -2.2077 -2.2077 -1.9507 -1.9507 -1.9369 -1.9369 -1.5167 -1.5167 4.4042 4.4042 4.7770 4.7770 4.9501 4.9501 5.4748 5.4748 k = 0.2758-0.2845 0.2147 ( 11781 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3714 -98.3714 -98.2715 -98.2715 -98.2715 -98.2715 -7.4447 -7.4447 -6.3438 -6.3438 -6.2683 -6.2683 -4.3176 -4.3176 -3.2093 -3.2093 -2.8232 -2.8232 -2.7033 -2.7033 -2.4544 -2.4544 -2.2012 -2.2012 -1.9421 -1.9421 -1.9048 -1.9048 -1.5250 -1.5250 4.3700 4.3700 4.7831 4.7831 4.9710 4.9710 5.4238 5.4238 k = 0.2877-0.2968 0.2240 ( 11791 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3714 -98.3714 -98.2715 -98.2715 -98.2715 -98.2715 -7.3965 -7.3965 -6.3827 -6.3827 -6.2977 -6.2977 -4.4081 -4.4081 -3.2078 -3.2078 -2.7384 -2.7384 -2.6988 -2.6988 -2.4055 -2.4055 -2.1943 -2.1943 -1.9337 -1.9337 -1.8718 -1.8718 -1.5361 -1.5361 4.3370 4.3370 4.7890 4.7890 4.9929 4.9929 5.3770 5.3770 k = 0.2997-0.3092 0.2333 ( 11783 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3714 -98.3714 -98.2715 -98.2715 -98.2715 -98.2715 -7.3465 -7.3465 -6.4196 -6.4196 -6.3260 -6.3260 -4.4992 -4.4992 -3.2092 -3.2092 -2.6891 -2.6891 -2.6557 -2.6557 -2.3591 -2.3591 -2.1871 -2.1871 -1.9253 -1.9253 -1.8381 -1.8381 -1.5500 -1.5500 4.3051 4.3051 4.7946 4.7946 5.0156 5.0156 5.3347 5.3347 k = 0.3117-0.3216 0.2427 ( 11797 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3714 -98.3714 -98.2715 -98.2715 -98.2715 -98.2715 -7.2950 -7.2950 -6.4544 -6.4544 -6.3529 -6.3529 -4.5904 -4.5904 -3.2130 -3.2130 -2.6746 -2.6746 -2.5755 -2.5755 -2.3154 -2.3154 -2.1798 -2.1798 -1.9171 -1.9171 -1.8040 -1.8040 -1.5666 -1.5666 4.2746 4.2746 4.8002 4.8002 5.0391 5.0391 5.2968 5.2968 k = 0.3237-0.3339 0.2520 ( 11799 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3714 -98.3714 -98.2715 -98.2715 -98.2715 -98.2715 -7.2419 -7.2419 -6.4871 -6.4871 -6.3784 -6.3784 -4.6816 -4.6816 -3.2188 -3.2188 -2.6557 -2.6557 -2.4980 -2.4980 -2.2743 -2.2743 -2.1724 -2.1724 -1.9091 -1.9091 -1.7698 -1.7698 -1.5857 -1.5857 4.2456 4.2456 4.8058 4.8058 5.0629 5.0629 5.2635 5.2635 k = 0.3357-0.3463 0.2613 ( 11815 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3714 -98.3714 -98.2715 -98.2715 -98.2715 -98.2715 -7.1875 -7.1875 -6.5177 -6.5177 -6.4024 -6.4024 -4.7723 -4.7723 -3.2263 -3.2263 -2.6329 -2.6329 -2.4235 -2.4235 -2.2361 -2.2361 -2.1651 -2.1651 -1.9013 -1.9013 -1.7357 -1.7357 -1.6073 -1.6073 4.2179 4.2179 4.8116 4.8116 5.0871 5.0871 5.2347 5.2347 k = 0.3477-0.3587 0.2707 ( 11816 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3714 -98.3714 -98.2715 -98.2715 -98.2715 -98.2715 -7.1318 -7.1318 -6.5462 -6.5462 -6.4250 -6.4250 -4.8624 -4.8624 -3.2349 -3.2349 -2.6068 -2.6068 -2.3525 -2.3525 -2.2005 -2.2005 -2.1579 -2.1579 -1.8939 -1.8939 -1.7023 -1.7023 -1.6312 -1.6312 4.1919 4.1919 4.8175 4.8175 5.1113 5.1113 5.2104 5.2104 k = 0.3597-0.3710 0.2800 ( 11816 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3714 -98.3714 -98.2715 -98.2715 -98.2715 -98.2715 -7.0750 -7.0750 -6.5725 -6.5725 -6.4460 -6.4460 -4.9515 -4.9515 -3.2441 -3.2441 -2.5780 -2.5780 -2.2851 -2.2851 -2.1678 -2.1678 -2.1509 -2.1509 -1.8867 -1.8867 -1.6698 -1.6698 -1.6571 -1.6571 4.1675 4.1675 4.8238 4.8238 5.1353 5.1353 5.1906 5.1906 k = 0.3717-0.3834 0.2893 ( 11808 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3714 -98.3714 -98.2715 -98.2715 -98.2715 -98.2715 -7.0174 -7.0174 -6.5968 -6.5968 -6.4655 -6.4655 -5.0393 -5.0393 -3.2535 -3.2535 -2.5468 -2.5468 -2.2217 -2.2217 -2.1441 -2.1441 -2.1377 -2.1377 -1.8799 -1.8799 -1.6850 -1.6850 -1.6386 -1.6386 4.1447 4.1447 4.8305 4.8305 5.1587 5.1587 5.1751 5.1751 k = 0.3837-0.3958 0.2986 ( 11810 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3714 -98.3714 -98.2715 -98.2715 -98.2715 -98.2715 -6.9592 -6.9592 -6.6188 -6.6188 -6.4833 -6.4833 -5.1252 -5.1252 -3.2629 -3.2629 -2.5138 -2.5138 -2.1627 -2.1627 -2.1377 -2.1377 -2.1104 -2.1104 -1.8735 -1.8735 -1.7147 -1.7147 -1.6091 -1.6091 4.1238 4.1238 4.8375 4.8375 5.1637 5.1637 5.1814 5.1814 k = 0.3957-0.4081 0.3080 ( 11802 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3714 -98.3714 -98.2715 -98.2715 -98.2715 -98.2715 -6.9008 -6.9008 -6.6388 -6.6388 -6.4994 -6.4994 -5.2089 -5.2089 -3.2720 -3.2720 -2.4793 -2.4793 -2.1317 -2.1317 -2.1085 -2.1085 -2.0857 -2.0857 -1.8676 -1.8676 -1.7458 -1.7458 -1.5815 -1.5815 4.1046 4.1046 4.8451 4.8451 5.1561 5.1561 5.2029 5.2029 k = 0.4076-0.4205 0.3173 ( 11804 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3714 -98.3714 -98.2715 -98.2715 -98.2715 -98.2715 -6.8428 -6.8428 -6.6566 -6.6566 -6.5139 -6.5139 -5.2897 -5.2897 -3.2805 -3.2805 -2.4438 -2.4438 -2.1262 -2.1262 -2.0636 -2.0636 -2.0593 -2.0593 -1.8620 -1.8620 -1.7781 -1.7781 -1.5563 -1.5563 4.0874 4.0874 4.8530 4.8530 5.1519 5.1519 5.2231 5.2231 k = 0.4196-0.4329 0.3266 ( 11804 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3714 -98.3714 -98.2715 -98.2715 -98.2715 -98.2715 -6.7858 -6.7858 -6.6722 -6.6722 -6.5266 -6.5266 -5.3668 -5.3668 -3.2883 -3.2883 -2.4076 -2.4076 -2.1213 -2.1213 -2.0443 -2.0443 -2.0154 -2.0154 -1.8569 -1.8569 -1.8113 -1.8113 -1.5336 -1.5336 4.0720 4.0720 4.8612 4.8612 5.1507 5.1507 5.2416 5.2416 k = 0.4316-0.4452 0.3360 ( 11800 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3714 -98.3714 -98.2715 -98.2715 -98.2715 -98.2715 -6.7308 -6.7308 -6.6857 -6.6857 -6.5376 -6.5376 -5.4394 -5.4394 -3.2953 -3.2953 -2.3714 -2.3714 -2.1169 -2.1169 -2.0275 -2.0275 -1.9773 -1.9773 -1.8522 -1.8522 -1.8450 -1.8450 -1.5136 -1.5136 4.0587 4.0587 4.8695 4.8695 5.1518 5.1518 5.2581 5.2581 k = 0.4316-0.4452 0.3360 ( 11800 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3714 -98.3714 -98.2715 -98.2715 -98.2715 -98.2715 -6.7308 -6.7308 -6.6857 -6.6857 -6.5376 -6.5376 -5.4394 -5.4394 -3.2953 -3.2953 -2.3714 -2.3714 -2.1169 -2.1169 -2.0275 -2.0275 -1.9773 -1.9773 -1.8522 -1.8522 -1.8450 -1.8450 -1.5136 -1.5136 4.0587 4.0587 4.8695 4.8695 5.1518 5.1518 5.2581 5.2581 k = 0.4345-0.4273 0.3301 ( 11804 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3714 -98.3714 -98.2715 -98.2715 -98.2715 -98.2715 -6.7647 -6.7647 -6.6951 -6.6951 -6.5122 -6.5122 -5.3938 -5.3938 -3.2909 -3.2909 -2.3998 -2.3998 -2.1194 -2.1194 -2.0408 -2.0408 -1.9980 -1.9980 -1.8558 -1.8558 -1.8208 -1.8208 -1.5260 -1.5260 4.0674 4.0674 4.8625 4.8625 5.1521 5.1521 5.2510 5.2510 k = 0.4373-0.4094 0.3242 ( 11817 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3714 -98.3714 -98.2715 -98.2715 -98.2715 -98.2715 -6.7984 -6.7984 -6.7251 -6.7251 -6.4627 -6.4627 -5.3454 -5.3454 -3.2863 -3.2863 -2.4385 -2.4385 -2.1199 -2.1199 -2.0637 -2.0637 -2.0132 -2.0132 -1.8607 -1.8607 -1.7931 -1.7931 -1.5395 -1.5395 4.0777 4.0777 4.8523 4.8523 5.1554 5.1554 5.2489 5.2489 k = 0.4402-0.3915 0.3183 ( 11818 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3714 -98.3714 -98.2715 -98.2715 -98.2715 -98.2715 -6.8316 -6.8316 -6.7613 -6.7613 -6.4036 -6.4036 -5.2946 -5.2946 -3.2816 -3.2816 -2.4854 -2.4854 -2.1175 -2.1175 -2.0955 -2.0955 -2.0241 -2.0241 -1.8669 -1.8669 -1.7647 -1.7647 -1.5534 -1.5534 4.0896 4.0896 4.8392 4.8392 5.1617 5.1617 5.2510 5.2510 k = 0.4430-0.3736 0.3124 ( 11828 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3714 -98.3714 -98.2715 -98.2715 -98.2715 -98.2715 -6.8641 -6.8641 -6.7986 -6.7986 -6.3399 -6.3399 -5.2417 -5.2417 -3.2772 -3.2772 -2.5378 -2.5378 -2.1331 -2.1331 -2.1127 -2.1127 -2.0341 -2.0341 -1.8741 -1.8741 -1.7369 -1.7369 -1.5671 -1.5671 4.1032 4.1032 4.8241 4.8241 5.1709 5.1709 5.2563 5.2563 k = 0.4459-0.3557 0.3065 ( 11815 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3714 -98.3714 -98.2715 -98.2715 -98.2715 -98.2715 -6.8958 -6.8958 -6.8355 -6.8355 -6.2732 -6.2732 -5.1871 -5.1871 -3.2738 -3.2738 -2.5934 -2.5934 -2.1753 -2.1753 -2.1060 -2.1060 -2.0452 -2.0452 -1.8821 -1.8821 -1.7106 -1.7106 -1.5800 -1.5800 4.1181 4.1181 4.8077 4.8077 5.1826 5.1826 5.2636 5.2636 k = 0.4487-0.3378 0.3006 ( 11804 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3714 -98.3714 -98.2715 -98.2715 -98.2715 -98.2715 -6.9263 -6.9263 -6.8712 -6.8712 -6.2043 -6.2043 -5.1311 -5.1311 -3.2720 -3.2720 -2.6497 -2.6497 -2.2214 -2.2214 -2.0982 -2.0982 -2.0585 -2.0585 -1.8904 -1.8904 -1.6863 -1.6863 -1.5917 -1.5917 4.1345 4.1345 4.7908 4.7908 5.1967 5.1967 5.2721 5.2721 k = 0.4516-0.3199 0.2947 ( 11805 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3714 -98.3714 -98.2715 -98.2715 -98.2715 -98.2715 -6.9556 -6.9556 -6.9055 -6.9055 -6.1336 -6.1336 -5.0741 -5.0741 -3.2732 -3.2732 -2.7046 -2.7046 -2.2712 -2.2712 -2.0897 -2.0897 -2.0746 -2.0746 -1.8984 -1.8984 -1.6642 -1.6642 -1.6019 -1.6019 4.1522 4.1522 4.7739 4.7739 5.2128 5.2128 5.2809 5.2809 k = 0.4544-0.3020 0.2889 ( 11807 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3714 -98.3714 -98.2715 -98.2715 -98.2715 -98.2715 -6.9836 -6.9836 -6.9381 -6.9381 -6.0612 -6.0612 -5.0164 -5.0164 -3.2787 -3.2787 -2.7555 -2.7555 -2.3244 -2.3244 -2.0939 -2.0939 -2.0808 -2.0808 -1.9057 -1.9057 -1.6444 -1.6444 -1.6104 -1.6104 4.1710 4.1710 4.7574 4.7574 5.2307 5.2307 5.2894 5.2894 k = 0.4573-0.2841 0.2830 ( 11799 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3714 -98.3714 -98.2715 -98.2715 -98.2715 -98.2715 -7.0102 -7.0102 -6.9690 -6.9690 -5.9873 -5.9873 -4.9586 -4.9586 -3.2904 -3.2904 -2.7999 -2.7999 -2.3810 -2.3810 -2.1165 -2.1165 -2.0718 -2.0718 -1.9122 -1.9122 -1.6268 -1.6268 -1.6170 -1.6170 4.1910 4.1910 4.7417 4.7417 5.2500 5.2500 5.2971 5.2971 k = 0.4601-0.2662 0.2771 ( 11798 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3714 -98.3714 -98.2715 -98.2715 -98.2715 -98.2715 -7.0353 -7.0353 -6.9981 -6.9981 -5.9121 -5.9121 -4.9011 -4.9011 -3.3099 -3.3099 -2.8351 -2.8351 -2.4406 -2.4406 -2.1421 -2.1421 -2.0628 -2.0628 -1.9177 -1.9177 -1.6219 -1.6219 -1.6117 -1.6117 4.2119 4.2119 4.7269 4.7269 5.2703 5.2703 5.3038 5.3038 k = 0.4630-0.2483 0.2712 ( 11799 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3714 -98.3714 -98.2715 -98.2715 -98.2715 -98.2715 -7.0589 -7.0589 -7.0253 -7.0253 -5.8357 -5.8357 -4.8447 -4.8447 -3.3378 -3.3378 -2.8598 -2.8598 -2.5030 -2.5030 -2.1705 -2.1705 -2.0539 -2.0539 -1.9223 -1.9223 -1.6251 -1.6251 -1.5987 -1.5987 4.2338 4.2338 4.7131 4.7131 5.2912 5.2912 5.3094 5.3094 k = 0.4658-0.2304 0.2653 ( 11804 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3715 -98.3715 -98.2715 -98.2715 -98.2715 -98.2715 -7.0808 -7.0808 -7.0507 -7.0507 -5.7582 -5.7582 -4.7903 -4.7903 -3.3733 -3.3733 -2.8735 -2.8735 -2.5680 -2.5680 -2.2012 -2.2012 -2.0452 -2.0452 -1.9262 -1.9262 -1.6268 -1.6268 -1.5879 -1.5879 4.2564 4.2564 4.7002 4.7002 5.3123 5.3123 5.3140 5.3140 k = 0.4687-0.2125 0.2594 ( 11782 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3714 -98.3714 -98.2715 -98.2715 -98.2715 -98.2715 -7.1010 -7.1010 -7.0741 -7.0741 -5.6797 -5.6797 -4.7390 -4.7390 -3.4142 -3.4142 -2.8773 -2.8773 -2.6351 -2.6351 -2.2337 -2.2337 -2.0367 -2.0367 -1.9295 -1.9295 -1.6271 -1.6271 -1.5792 -1.5792 4.2797 4.2797 4.6881 4.6881 5.3176 5.3176 5.3331 5.3331 k = 0.4715-0.1946 0.2535 ( 11779 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3715 -98.3715 -98.2715 -98.2715 -98.2715 -98.2715 -7.1195 -7.1195 -7.0957 -7.0957 -5.6004 -5.6004 -4.6922 -4.6922 -3.4570 -3.4570 -2.8730 -2.8730 -2.7042 -2.7042 -2.2677 -2.2677 -2.0286 -2.0286 -1.9326 -1.9326 -1.6261 -1.6261 -1.5724 -1.5724 4.3036 4.3036 4.6767 4.6767 5.3206 5.3206 5.3531 5.3531 k = 0.4744-0.1767 0.2476 ( 11790 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3715 -98.3715 -98.2715 -98.2715 -98.2715 -98.2715 -7.1363 -7.1363 -7.1152 -7.1152 -5.5205 -5.5205 -4.6518 -4.6518 -3.4983 -3.4983 -2.8623 -2.8623 -2.7747 -2.7747 -2.3027 -2.3027 -2.0208 -2.0208 -1.9355 -1.9355 -1.6241 -1.6241 -1.5674 -1.5674 4.3278 4.3278 4.6656 4.6656 5.3234 5.3234 5.3717 5.3717 k = 0.4772-0.1588 0.2417 ( 11784 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3715 -98.3715 -98.2715 -98.2715 -98.2715 -98.2715 -7.1513 -7.1513 -7.1329 -7.1329 -5.4401 -5.4401 -4.6200 -4.6200 -3.5343 -3.5343 -2.8466 -2.8466 -2.8463 -2.8463 -2.3385 -2.3385 -2.0133 -2.0133 -1.9383 -1.9383 -1.6211 -1.6211 -1.5641 -1.5641 4.3524 4.3524 4.6546 4.6546 5.3263 5.3263 5.3881 5.3881 k = 0.4801-0.1409 0.2358 ( 11785 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3715 -98.3715 -98.2715 -98.2715 -98.2715 -98.2715 -7.1644 -7.1644 -7.1486 -7.1486 -5.3595 -5.3595 -4.5992 -4.5992 -3.5614 -3.5614 -2.9187 -2.9187 -2.8269 -2.8269 -2.3748 -2.3748 -2.0062 -2.0062 -1.9411 -1.9411 -1.6173 -1.6173 -1.5623 -1.5623 4.3770 4.3770 4.6434 4.6434 5.3297 5.3297 5.4017 5.4017 k = 0.4829-0.1230 0.2299 ( 11784 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3715 -98.3715 -98.2715 -98.2715 -98.2715 -98.2715 -7.1757 -7.1757 -7.1624 -7.1624 -5.2789 -5.2789 -4.5916 -4.5916 -3.5768 -3.5768 -2.9913 -2.9913 -2.8041 -2.8041 -2.4114 -2.4114 -1.9994 -1.9994 -1.9440 -1.9440 -1.6129 -1.6129 -1.5619 -1.5619 4.4016 4.4016 4.6316 4.6316 5.3340 5.3340 5.4118 5.4118 k = 0.4858-0.1051 0.2241 ( 11783 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3715 -98.3715 -98.2715 -98.2715 -98.2715 -98.2715 -7.1852 -7.1852 -7.1742 -7.1742 -5.1988 -5.1988 -4.5986 -4.5986 -3.5785 -3.5785 -3.0637 -3.0637 -2.7787 -2.7787 -2.4479 -2.4479 -1.9930 -1.9930 -1.9471 -1.9471 -1.6079 -1.6079 -1.5628 -1.5628 4.4260 4.4260 4.6191 4.6191 5.3396 5.3396 5.4176 5.4176 k = 0.4886-0.0872 0.2182 ( 11784 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3715 -98.3715 -98.2715 -98.2715 -98.2715 -98.2715 -7.1927 -7.1927 -7.1840 -7.1840 -5.1194 -5.1194 -4.6204 -4.6204 -3.5657 -3.5657 -3.1354 -3.1354 -2.7512 -2.7512 -2.4844 -2.4844 -1.9870 -1.9870 -1.9504 -1.9504 -1.6026 -1.6026 -1.5648 -1.5648 4.4499 4.4499 4.6055 4.6055 5.3466 5.3466 5.4188 5.4188 k = 0.4915-0.0692 0.2123 ( 11782 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3715 -98.3715 -98.2715 -98.2715 -98.2715 -98.2715 -7.1984 -7.1984 -7.1919 -7.1919 -5.0414 -5.0414 -4.6558 -4.6558 -3.5395 -3.5395 -3.2056 -3.2056 -2.7219 -2.7219 -2.5206 -2.5206 -1.9813 -1.9813 -1.9540 -1.9540 -1.5971 -1.5971 -1.5677 -1.5677 4.4733 4.4733 4.5906 4.5906 5.3552 5.3552 5.4156 5.4156 k = 0.4943-0.0513 0.2064 ( 11769 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3715 -98.3715 -98.2715 -98.2715 -98.2715 -98.2715 -7.2022 -7.2022 -7.1979 -7.1979 -4.9653 -4.9653 -4.7029 -4.7029 -3.5016 -3.5016 -3.2736 -3.2736 -2.6910 -2.6910 -2.5562 -2.5562 -1.9759 -1.9759 -1.9578 -1.9578 -1.5915 -1.5915 -1.5714 -1.5714 4.4958 4.4958 4.5744 4.5744 5.3652 5.3652 5.4086 5.4086 k = 0.4972-0.0334 0.2005 ( 11766 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3715 -98.3715 -98.2715 -98.2715 -98.2715 -98.2715 -7.2040 -7.2040 -7.2018 -7.2018 -4.8922 -4.8922 -4.7593 -4.7593 -3.4542 -3.4542 -3.3386 -3.3386 -2.6588 -2.6588 -2.5913 -2.5913 -1.9709 -1.9709 -1.9618 -1.9618 -1.5860 -1.5860 -1.5758 -1.5758 4.5173 4.5173 4.5567 4.5567 5.3763 5.3763 5.3990 5.3990 k = 0.5000-0.0155 0.1946 ( 11760 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3715 -98.3715 -98.2715 -98.2715 -98.2715 -98.2715 -7.2039 -7.2039 -7.2039 -7.2039 -4.8230 -4.8230 -4.8230 -4.8230 -3.3992 -3.3992 -3.3992 -3.3992 -2.6255 -2.6255 -2.6255 -2.6255 -1.9662 -1.9662 -1.9662 -1.9662 -1.5807 -1.5807 -1.5807 -1.5807 4.5376 4.5376 4.5376 4.5376 5.3879 5.3879 5.3879 5.3879 k = 0.5000-0.0155 0.1946 ( 11760 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3715 -98.3715 -98.2715 -98.2715 -98.2715 -98.2715 -7.2039 -7.2039 -7.2039 -7.2039 -4.8230 -4.8230 -4.8230 -4.8230 -3.3992 -3.3992 -3.3992 -3.3992 -2.6255 -2.6255 -2.6255 -2.6255 -1.9662 -1.9662 -1.9662 -1.9662 -1.5807 -1.5807 -1.5807 -1.5807 4.5376 4.5376 4.5376 4.5376 5.3879 5.3879 5.3879 5.3879 k = 0.4934-0.0087 0.2120 ( 11760 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3715 -98.3715 -98.2715 -98.2715 -98.2715 -98.2715 -7.2029 -7.2029 -7.2028 -7.2028 -4.8224 -4.8224 -4.8224 -4.8224 -3.3987 -3.3987 -3.3987 -3.3987 -2.6285 -2.6285 -2.6285 -2.6285 -1.9667 -1.9667 -1.9667 -1.9667 -1.5825 -1.5825 -1.5825 -1.5825 4.5422 4.5422 4.5422 4.5422 5.3879 5.3879 5.3879 5.3879 k = 0.4868-0.0020 0.2295 ( 11756 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3715 -98.3715 -98.2715 -98.2715 -98.2715 -98.2715 -7.1998 -7.1998 -7.1998 -7.1998 -4.8204 -4.8204 -4.8204 -4.8204 -3.3974 -3.3974 -3.3974 -3.3974 -2.6373 -2.6373 -2.6373 -2.6373 -1.9681 -1.9681 -1.9680 -1.9680 -1.5878 -1.5878 -1.5878 -1.5878 4.5557 4.5557 4.5557 4.5557 5.3882 5.3882 5.3882 5.3882 k = 0.4803 0.0048 0.2469 ( 11774 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3715 -98.3715 -98.2715 -98.2715 -98.2715 -98.2715 -7.1946 -7.1946 -7.1946 -7.1946 -4.8171 -4.8171 -4.8171 -4.8171 -3.3951 -3.3951 -3.3951 -3.3951 -2.6519 -2.6519 -2.6519 -2.6519 -1.9703 -1.9703 -1.9703 -1.9703 -1.5966 -1.5966 -1.5966 -1.5966 4.5778 4.5778 4.5778 4.5778 5.3889 5.3889 5.3889 5.3889 k = 0.4737 0.0116 0.2644 ( 11780 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3715 -98.3715 -98.2715 -98.2715 -98.2715 -98.2715 -7.1875 -7.1875 -7.1875 -7.1875 -4.8126 -4.8126 -4.8126 -4.8126 -3.3919 -3.3919 -3.3919 -3.3919 -2.6721 -2.6721 -2.6721 -2.6721 -1.9736 -1.9736 -1.9735 -1.9735 -1.6087 -1.6087 -1.6087 -1.6087 4.6079 4.6079 4.6079 4.6079 5.3906 5.3906 5.3906 5.3906 k = 0.4671 0.0184 0.2818 ( 11788 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3715 -98.3715 -98.2715 -98.2715 -98.2715 -98.2715 -7.1782 -7.1782 -7.1782 -7.1782 -4.8068 -4.8068 -4.8068 -4.8068 -3.3880 -3.3880 -3.3880 -3.3880 -2.6976 -2.6976 -2.6976 -2.6976 -1.9777 -1.9777 -1.9777 -1.9777 -1.6241 -1.6241 -1.6241 -1.6241 4.6450 4.6450 4.6450 4.6450 5.3939 5.3939 5.3939 5.3939 k = 0.4605 0.0252 0.2993 ( 11794 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3715 -98.3715 -98.2715 -98.2715 -98.2715 -98.2715 -7.1670 -7.1670 -7.1670 -7.1670 -4.7999 -4.7999 -4.7998 -4.7998 -3.3834 -3.3834 -3.3834 -3.3834 -2.7281 -2.7281 -2.7281 -2.7281 -1.9827 -1.9827 -1.9827 -1.9827 -1.6425 -1.6425 -1.6425 -1.6425 4.6879 4.6879 4.6879 4.6879 5.3995 5.3995 5.3995 5.3995 k = 0.4539 0.0320 0.3167 ( 11794 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3715 -98.3715 -98.2715 -98.2715 -98.2715 -98.2715 -7.1537 -7.1537 -7.1537 -7.1537 -4.7917 -4.7917 -4.7917 -4.7917 -3.3784 -3.3784 -3.3783 -3.3783 -2.7631 -2.7631 -2.7631 -2.7631 -1.9887 -1.9887 -1.9887 -1.9887 -1.6638 -1.6638 -1.6638 -1.6638 4.7349 4.7349 4.7349 4.7349 5.4085 5.4085 5.4086 5.4086 k = 0.4474 0.0388 0.3342 ( 11790 PWs) bands (ev): -98.3731 -98.3731 -98.3731 -98.3731 -98.3715 -98.3715 -98.3715 -98.3715 -98.2715 -98.2715 -98.2715 -98.2715 -7.1384 -7.1384 -7.1384 -7.1384 -4.7826 -4.7826 -4.7826 -4.7826 -3.3730 -3.3730 -3.3730 -3.3730 -2.8020 -2.8020 -2.8020 -2.8020 -1.9958 -1.9958 -1.9958 -1.9958 -1.6877 -1.6877 -1.6877 -1.6877 4.7838 4.7838 4.7839 4.7839 5.4218 5.4218 5.4219 5.4219 k = 0.4408 0.0455 0.3516 ( 11790 PWs) bands (ev): -98.3731 -98.3731 -98.3731 -98.3731 -98.3715 -98.3715 -98.3715 -98.3715 -98.2715 -98.2715 -98.2715 -98.2715 -7.1212 -7.1212 -7.1211 -7.1211 -4.7724 -4.7724 -4.7724 -4.7724 -3.3677 -3.3677 -3.3677 -3.3677 -2.8441 -2.8441 -2.8441 -2.8441 -2.0040 -2.0040 -2.0040 -2.0040 -1.7140 -1.7140 -1.7140 -1.7140 4.8324 4.8324 4.8324 4.8324 5.4399 5.4399 5.4399 5.4399 k = 0.4342 0.0523 0.3691 ( 11784 PWs) bands (ev): -98.3731 -98.3731 -98.3731 -98.3731 -98.3715 -98.3715 -98.3715 -98.3715 -98.2715 -98.2715 -98.2715 -98.2715 -7.1019 -7.1019 -7.1019 -7.1019 -4.7615 -4.7615 -4.7614 -4.7614 -3.3630 -3.3630 -3.3630 -3.3630 -2.8884 -2.8884 -2.8884 -2.8884 -2.0136 -2.0136 -2.0135 -2.0135 -1.7422 -1.7422 -1.7422 -1.7422 4.8781 4.8781 4.8781 4.8781 5.4621 5.4621 5.4622 5.4622 k = 0.4276 0.0591 0.3865 ( 11786 PWs) bands (ev): -98.3731 -98.3731 -98.3731 -98.3731 -98.3716 -98.3716 -98.3716 -98.3716 -98.2715 -98.2715 -98.2715 -98.2715 -7.0807 -7.0807 -7.0807 -7.0807 -4.7498 -4.7498 -4.7497 -4.7497 -3.3596 -3.3596 -3.3596 -3.3596 -2.9338 -2.9338 -2.9338 -2.9338 -2.0247 -2.0247 -2.0246 -2.0246 -1.7720 -1.7720 -1.7720 -1.7720 4.9186 4.9186 4.9186 4.9186 5.4859 5.4859 5.4859 5.4859 k = 0.4211 0.0659 0.4039 ( 11786 PWs) bands (ev): -98.3731 -98.3731 -98.3731 -98.3731 -98.3716 -98.3716 -98.3716 -98.3716 -98.2715 -98.2715 -98.2715 -98.2715 -7.0576 -7.0576 -7.0576 -7.0576 -4.7375 -4.7375 -4.7375 -4.7375 -3.3586 -3.3586 -3.3586 -3.3586 -2.9786 -2.9786 -2.9785 -2.9785 -2.0377 -2.0377 -2.0376 -2.0376 -1.8028 -1.8028 -1.8028 -1.8028 4.9526 4.9526 4.9526 4.9526 5.5064 5.5064 5.5064 5.5064 k = 0.4145 0.0727 0.4214 ( 11792 PWs) bands (ev): -98.3731 -98.3731 -98.3731 -98.3731 -98.3716 -98.3716 -98.3716 -98.3716 -98.2715 -98.2715 -98.2715 -98.2715 -7.0325 -7.0325 -7.0325 -7.0325 -4.7249 -4.7249 -4.7249 -4.7249 -3.3617 -3.3617 -3.3617 -3.3617 -3.0205 -3.0205 -3.0205 -3.0205 -2.0531 -2.0531 -2.0530 -2.0530 -1.8341 -1.8341 -1.8341 -1.8341 4.9799 4.9799 4.9799 4.9799 5.5193 5.5193 5.5193 5.5193 k = 0.4079 0.0795 0.4388 ( 11794 PWs) bands (ev): -98.3731 -98.3731 -98.3731 -98.3731 -98.3716 -98.3716 -98.3716 -98.3716 -98.2715 -98.2715 -98.2715 -98.2715 -7.0056 -7.0056 -7.0056 -7.0056 -4.7123 -4.7123 -4.7123 -4.7123 -3.3711 -3.3711 -3.3711 -3.3711 -3.0568 -3.0568 -3.0568 -3.0568 -2.0713 -2.0713 -2.0713 -2.0713 -1.8651 -1.8651 -1.8651 -1.8651 5.0010 5.0010 5.0010 5.0010 5.5235 5.5235 5.5235 5.5235 k = 0.4013 0.0863 0.4563 ( 11794 PWs) bands (ev): -98.3730 -98.3730 -98.3730 -98.3730 -98.3716 -98.3716 -98.3716 -98.3716 -98.2715 -98.2715 -98.2715 -98.2715 -6.9769 -6.9769 -6.9769 -6.9769 -4.6999 -4.6999 -4.6999 -4.6999 -3.3889 -3.3889 -3.3889 -3.3889 -3.0848 -3.0848 -3.0847 -3.0847 -2.0931 -2.0931 -2.0931 -2.0931 -1.8950 -1.8950 -1.8950 -1.8950 5.0170 5.0170 5.0170 5.0170 5.5210 5.5210 5.5211 5.5211 k = 0.3947 0.0930 0.4737 ( 11790 PWs) bands (ev): -98.3730 -98.3730 -98.3730 -98.3730 -98.3716 -98.3716 -98.3716 -98.3716 -98.2715 -98.2715 -98.2715 -98.2715 -6.9464 -6.9464 -6.9464 -6.9464 -4.6882 -4.6882 -4.6882 -4.6882 -3.4162 -3.4162 -3.4162 -3.4162 -3.1027 -3.1027 -3.1027 -3.1027 -2.1189 -2.1189 -2.1189 -2.1189 -1.9231 -1.9231 -1.9231 -1.9231 5.0289 5.0289 5.0289 5.0289 5.5143 5.5143 5.5143 5.5143 k = 0.3882 0.0998 0.4912 ( 11784 PWs) bands (ev): -98.3730 -98.3730 -98.3730 -98.3730 -98.3717 -98.3717 -98.3717 -98.3717 -98.2715 -98.2715 -98.2715 -98.2715 -6.9141 -6.9141 -6.9141 -6.9141 -4.6775 -4.6775 -4.6775 -4.6775 -3.4517 -3.4517 -3.4516 -3.4516 -3.1110 -3.1110 -3.1110 -3.1110 -2.1490 -2.1490 -2.1489 -2.1489 -1.9490 -1.9490 -1.9490 -1.9490 5.0377 5.0377 5.0377 5.0377 5.5054 5.5054 5.5054 5.5054 k = 0.3816 0.1066 0.5086 ( 11778 PWs) bands (ev): -98.3730 -98.3730 -98.3730 -98.3730 -98.3717 -98.3717 -98.3717 -98.3717 -98.2715 -98.2715 -98.2715 -98.2715 -6.8802 -6.8802 -6.8802 -6.8802 -4.6686 -4.6686 -4.6686 -4.6686 -3.4927 -3.4927 -3.4927 -3.4927 -3.1116 -3.1116 -3.1115 -3.1115 -2.1832 -2.1832 -2.1831 -2.1831 -1.9726 -1.9726 -1.9726 -1.9726 5.0441 5.0441 5.0441 5.0441 5.4957 5.4957 5.4958 5.4958 k = 0.3750 0.1134 0.5261 ( 11784 PWs) bands (ev): -98.3729 -98.3729 -98.3729 -98.3729 -98.3717 -98.3717 -98.3717 -98.3717 -98.2715 -98.2715 -98.2715 -98.2715 -6.8446 -6.8446 -6.8446 -6.8446 -4.6620 -4.6620 -4.6620 -4.6620 -3.5363 -3.5363 -3.5363 -3.5363 -3.1067 -3.1067 -3.1066 -3.1066 -2.2210 -2.2210 -2.2209 -2.2209 -1.9941 -1.9941 -1.9941 -1.9941 5.0487 5.0487 5.0487 5.0487 5.4863 5.4863 5.4863 5.4863 k = 0.3684 0.1202 0.5435 ( 11792 PWs) bands (ev): -98.3729 -98.3729 -98.3729 -98.3729 -98.3717 -98.3717 -98.3717 -98.3717 -98.2715 -98.2715 -98.2715 -98.2715 -6.8076 -6.8076 -6.8075 -6.8075 -4.6585 -4.6585 -4.6585 -4.6585 -3.5797 -3.5797 -3.5797 -3.5797 -3.0980 -3.0980 -3.0980 -3.0980 -2.2617 -2.2617 -2.2616 -2.2616 -2.0141 -2.0141 -2.0140 -2.0140 5.0518 5.0518 5.0518 5.0518 5.4778 5.4778 5.4778 5.4778 k = 0.3618 0.1270 0.5610 ( 11788 PWs) bands (ev): -98.3729 -98.3729 -98.3729 -98.3729 -98.3718 -98.3718 -98.3718 -98.3718 -98.2715 -98.2715 -98.2715 -98.2715 -6.7690 -6.7690 -6.7690 -6.7690 -4.6590 -4.6590 -4.6590 -4.6590 -3.6206 -3.6206 -3.6206 -3.6206 -3.0870 -3.0870 -3.0870 -3.0870 -2.3045 -2.3045 -2.3044 -2.3044 -2.0328 -2.0328 -2.0328 -2.0328 5.0538 5.0538 5.0538 5.0538 5.4705 5.4705 5.4705 5.4705 k = 0.3553 0.1338 0.5784 ( 11790 PWs) bands (ev): -98.3729 -98.3729 -98.3729 -98.3729 -98.3718 -98.3718 -98.3718 -98.3718 -98.2715 -98.2715 -98.2715 -98.2715 -6.7291 -6.7291 -6.7291 -6.7291 -4.6643 -4.6643 -4.6643 -4.6643 -3.6571 -3.6571 -3.6571 -3.6571 -3.0747 -3.0747 -3.0746 -3.0746 -2.3486 -2.3486 -2.3485 -2.3485 -2.0508 -2.0508 -2.0508 -2.0508 5.0548 5.0548 5.0549 5.0549 5.4649 5.4649 5.4649 5.4649 k = 0.3487 0.1406 0.5958 ( 11780 PWs) bands (ev): -98.3728 -98.3728 -98.3728 -98.3728 -98.3718 -98.3718 -98.3718 -98.3718 -98.2715 -98.2715 -98.2715 -98.2715 -6.6881 -6.6881 -6.6881 -6.6881 -4.6751 -4.6751 -4.6751 -4.6751 -3.6879 -3.6879 -3.6879 -3.6879 -3.0619 -3.0619 -3.0618 -3.0618 -2.3934 -2.3934 -2.3933 -2.3933 -2.0683 -2.0683 -2.0683 -2.0683 5.0553 5.0553 5.0553 5.0553 5.4608 5.4608 5.4608 5.4608 k = 0.3421 0.1473 0.6133 ( 11784 PWs) bands (ev): -98.3728 -98.3728 -98.3728 -98.3728 -98.3719 -98.3719 -98.3719 -98.3719 -98.2715 -98.2715 -98.2715 -98.2715 -6.6459 -6.6459 -6.6459 -6.6459 -4.6919 -4.6919 -4.6919 -4.6919 -3.7117 -3.7117 -3.7117 -3.7117 -3.0494 -3.0494 -3.0493 -3.0493 -2.4379 -2.4379 -2.4378 -2.4378 -2.0856 -2.0856 -2.0855 -2.0855 5.0552 5.0552 5.0552 5.0552 5.4582 5.4582 5.4583 5.4583 k = 0.3355 0.1541 0.6307 ( 11784 PWs) bands (ev): -98.3728 -98.3728 -98.3728 -98.3728 -98.3719 -98.3719 -98.3719 -98.3719 -98.2715 -98.2715 -98.2715 -98.2715 -6.6029 -6.6029 -6.6029 -6.6029 -4.7149 -4.7149 -4.7148 -4.7148 -3.7280 -3.7280 -3.7280 -3.7280 -3.0379 -3.0379 -3.0379 -3.0379 -2.4814 -2.4814 -2.4813 -2.4813 -2.1026 -2.1026 -2.1026 -2.1026 5.0550 5.0550 5.0550 5.0550 5.4569 5.4569 5.4569 5.4569 k = 0.3289 0.1609 0.6482 ( 11784 PWs) bands (ev): -98.3727 -98.3727 -98.3727 -98.3727 -98.3719 -98.3719 -98.3719 -98.3719 -98.2715 -98.2715 -98.2715 -98.2715 -6.5592 -6.5592 -6.5592 -6.5592 -4.7437 -4.7437 -4.7437 -4.7437 -3.7365 -3.7365 -3.7365 -3.7365 -3.0285 -3.0285 -3.0285 -3.0285 -2.5229 -2.5229 -2.5227 -2.5227 -2.1196 -2.1196 -2.1195 -2.1195 5.0548 5.0548 5.0548 5.0548 5.4564 5.4564 5.4564 5.4564 k = 0.3224 0.1677 0.6656 ( 11794 PWs) bands (ev): -98.3727 -98.3727 -98.3727 -98.3727 -98.3720 -98.3720 -98.3719 -98.3719 -98.2715 -98.2715 -98.2715 -98.2715 -6.5152 -6.5152 -6.5152 -6.5152 -4.7779 -4.7779 -4.7778 -4.7778 -3.7376 -3.7376 -3.7376 -3.7376 -3.0222 -3.0222 -3.0221 -3.0221 -2.5612 -2.5612 -2.5611 -2.5611 -2.1364 -2.1364 -2.1363 -2.1363 5.0548 5.0548 5.0548 5.0548 5.4563 5.4563 5.4563 5.4563 k = 0.3158 0.1745 0.6831 ( 11800 PWs) bands (ev): -98.3727 -98.3727 -98.3727 -98.3727 -98.3720 -98.3720 -98.3720 -98.3720 -98.2715 -98.2715 -98.2715 -98.2715 -6.4710 -6.4710 -6.4710 -6.4710 -4.8162 -4.8162 -4.8162 -4.8162 -3.7318 -3.7318 -3.7318 -3.7318 -3.0202 -3.0202 -3.0201 -3.0201 -2.5951 -2.5951 -2.5950 -2.5950 -2.1530 -2.1530 -2.1530 -2.1530 5.0552 5.0552 5.0552 5.0552 5.4562 5.4562 5.4562 5.4562 k = 0.3092 0.1813 0.7005 ( 11806 PWs) bands (ev): -98.3726 -98.3726 -98.3726 -98.3726 -98.3720 -98.3720 -98.3720 -98.3720 -98.2715 -98.2715 -98.2715 -98.2715 -6.4273 -6.4273 -6.4272 -6.4272 -4.8577 -4.8577 -4.8577 -4.8577 -3.7201 -3.7201 -3.7201 -3.7201 -3.0237 -3.0237 -3.0236 -3.0236 -2.6233 -2.6233 -2.6232 -2.6232 -2.1693 -2.1693 -2.1693 -2.1693 5.0562 5.0562 5.0562 5.0562 5.4556 5.4556 5.4557 5.4557 k = 0.3026 0.1881 0.7180 ( 11810 PWs) bands (ev): -98.3726 -98.3726 -98.3726 -98.3726 -98.3721 -98.3721 -98.3720 -98.3720 -98.2715 -98.2715 -98.2715 -98.2715 -6.3843 -6.3843 -6.3843 -6.3843 -4.9008 -4.9008 -4.9008 -4.9008 -3.7033 -3.7033 -3.7033 -3.7033 -3.0335 -3.0335 -3.0334 -3.0334 -2.6449 -2.6449 -2.6448 -2.6448 -2.1852 -2.1852 -2.1852 -2.1852 5.0577 5.0577 5.0577 5.0577 5.4543 5.4543 5.4544 5.4544 k = 0.2961 0.1948 0.7354 ( 11816 PWs) bands (ev): -98.3726 -98.3726 -98.3726 -98.3726 -98.3721 -98.3721 -98.3721 -98.3721 -98.2715 -98.2715 -98.2715 -98.2715 -6.3428 -6.3428 -6.3428 -6.3428 -4.9443 -4.9443 -4.9442 -4.9442 -3.6825 -3.6825 -3.6825 -3.6825 -3.0497 -3.0497 -3.0497 -3.0497 -2.6597 -2.6597 -2.6596 -2.6596 -2.2004 -2.2004 -2.2004 -2.2004 5.0597 5.0597 5.0597 5.0597 5.4521 5.4521 5.4521 5.4521 k = 0.2895 0.2016 0.7529 ( 11798 PWs) bands (ev): -98.3725 -98.3725 -98.3725 -98.3725 -98.3721 -98.3721 -98.3721 -98.3721 -98.2715 -98.2715 -98.2715 -98.2715 -6.3035 -6.3035 -6.3035 -6.3035 -4.9865 -4.9865 -4.9865 -4.9865 -3.6589 -3.6589 -3.6589 -3.6589 -3.0715 -3.0715 -3.0714 -3.0714 -2.6682 -2.6682 -2.6681 -2.6681 -2.2147 -2.2147 -2.2146 -2.2146 5.0622 5.0622 5.0622 5.0622 5.4489 5.4489 5.4489 5.4489 k = 0.2829 0.2084 0.7703 ( 11796 PWs) bands (ev): -98.3725 -98.3725 -98.3725 -98.3725 -98.3722 -98.3722 -98.3721 -98.3721 -98.2715 -98.2715 -98.2715 -98.2715 -6.2673 -6.2673 -6.2673 -6.2673 -5.0262 -5.0262 -5.0262 -5.0262 -3.6336 -3.6336 -3.6336 -3.6336 -3.0970 -3.0970 -3.0970 -3.0970 -2.6718 -2.6718 -2.6718 -2.6718 -2.2277 -2.2277 -2.2277 -2.2277 5.0650 5.0650 5.0650 5.0650 5.4450 5.4450 5.4451 5.4451 k = 0.2763 0.2152 0.7877 ( 11796 PWs) bands (ev): -98.3725 -98.3725 -98.3725 -98.3725 -98.3722 -98.3722 -98.3722 -98.3722 -98.2715 -98.2715 -98.2715 -98.2715 -6.2353 -6.2353 -6.2353 -6.2353 -5.0616 -5.0616 -5.0616 -5.0616 -3.6080 -3.6080 -3.6080 -3.6080 -3.1241 -3.1241 -3.1241 -3.1241 -2.6722 -2.6722 -2.6722 -2.6722 -2.2391 -2.2391 -2.2391 -2.2391 5.0678 5.0678 5.0678 5.0678 5.4408 5.4408 5.4408 5.4408 k = 0.2697 0.2220 0.8052 ( 11792 PWs) bands (ev): -98.3724 -98.3724 -98.3724 -98.3724 -98.3722 -98.3722 -98.3722 -98.3722 -98.2715 -98.2715 -98.2715 -98.2715 -6.2086 -6.2086 -6.2086 -6.2086 -5.0914 -5.0914 -5.0914 -5.0914 -3.5840 -3.5840 -3.5840 -3.5840 -3.1502 -3.1502 -3.1502 -3.1502 -2.6708 -2.6708 -2.6708 -2.6708 -2.2485 -2.2485 -2.2485 -2.2485 5.0705 5.0705 5.0705 5.0705 5.4367 5.4367 5.4368 5.4368 k = 0.2632 0.2288 0.8226 ( 11794 PWs) bands (ev): -98.3724 -98.3724 -98.3724 -98.3724 -98.3723 -98.3723 -98.3722 -98.3722 -98.2715 -98.2715 -98.2715 -98.2715 -6.1884 -6.1884 -6.1884 -6.1884 -5.1140 -5.1140 -5.1140 -5.1140 -3.5637 -3.5637 -3.5637 -3.5637 -3.1724 -3.1724 -3.1724 -3.1724 -2.6689 -2.6689 -2.6689 -2.6689 -2.2556 -2.2556 -2.2555 -2.2555 5.0726 5.0726 5.0726 5.0726 5.4333 5.4333 5.4334 5.4334 k = 0.2566 0.2356 0.8401 ( 11794 PWs) bands (ev): -98.3724 -98.3724 -98.3724 -98.3724 -98.3723 -98.3723 -98.3723 -98.3723 -98.2715 -98.2715 -98.2715 -98.2715 -6.1757 -6.1757 -6.1757 -6.1757 -5.1281 -5.1281 -5.1281 -5.1281 -3.5498 -3.5498 -3.5498 -3.5498 -3.1876 -3.1876 -3.1875 -3.1875 -2.6674 -2.6674 -2.6674 -2.6674 -2.2599 -2.2599 -2.2599 -2.2599 5.0741 5.0741 5.0741 5.0741 5.4311 5.4311 5.4311 5.4311 k = 0.2500 0.2424 0.8575 ( 11792 PWs) bands (ev): -98.3724 -98.3724 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.3723 -98.2715 -98.2715 -98.2715 -98.2715 -6.1714 -6.1714 -6.1714 -6.1714 -5.1329 -5.1329 -5.1329 -5.1329 -3.5449 -3.5449 -3.5448 -3.5448 -3.1930 -3.1930 -3.1930 -3.1930 -2.6668 -2.6668 -2.6668 -2.6668 -2.2614 -2.2614 -2.2614 -2.2614 5.0745 5.0745 5.0745 5.0745 5.4303 5.4303 5.4303 5.4303 k = 0.2349-0.2424 0.8575 ( 11803 PWs) bands (ev): -98.3726 -98.3726 -98.3726 -98.3726 -98.3721 -98.3721 -98.3720 -98.3720 -98.2715 -98.2715 -98.2715 -98.2715 -6.3419 -6.3419 -5.8635 -5.8635 -5.5935 -5.5935 -4.7728 -4.7728 -4.7376 -4.7376 -3.6648 -3.6648 -3.0416 -3.0416 -2.5838 -2.5838 -2.4151 -2.4151 -2.2252 -2.2252 -2.0803 -2.0803 -1.9545 -1.9545 4.7667 4.7667 4.8379 4.8379 4.9884 4.9884 5.8836 5.8836 k = 0.2415-0.2491 0.8401 ( 11806 PWs) bands (ev): -98.3727 -98.3727 -98.3726 -98.3726 -98.3720 -98.3720 -98.3720 -98.3720 -98.2715 -98.2715 -98.2715 -98.2715 -6.3299 -6.3299 -5.9161 -5.9161 -5.6536 -5.6536 -4.7754 -4.7754 -4.7502 -4.7502 -3.5910 -3.5910 -2.9949 -2.9949 -2.5534 -2.5534 -2.3999 -2.3999 -2.2043 -2.2043 -2.0533 -2.0533 -1.9533 -1.9533 4.7460 4.7460 4.8584 4.8584 4.9730 4.9730 5.8869 5.8869 k = 0.2481-0.2559 0.8228 ( 11800 PWs) bands (ev): -98.3727 -98.3727 -98.3727 -98.3727 -98.3720 -98.3720 -98.3720 -98.3720 -98.2715 -98.2715 -98.2715 -98.2715 -6.3236 -6.3236 -5.9676 -5.9676 -5.7119 -5.7119 -4.8132 -4.8132 -4.7200 -4.7200 -3.5163 -3.5163 -2.9473 -2.9473 -2.5229 -2.5229 -2.3861 -2.3861 -2.1838 -2.1838 -2.0266 -2.0266 -1.9521 -1.9521 4.7285 4.7285 4.8815 4.8815 4.9610 4.9610 5.8429 5.8429 k = 0.2546-0.2626 0.8054 ( 11801 PWs) bands (ev): -98.3727 -98.3727 -98.3727 -98.3727 -98.3720 -98.3720 -98.3719 -98.3719 -98.2715 -98.2715 -98.2715 -98.2715 -6.3226 -6.3226 -6.0179 -6.0179 -5.7685 -5.7685 -4.8510 -4.8510 -4.6825 -4.6825 -3.4410 -3.4410 -2.8989 -2.8989 -2.4926 -2.4926 -2.3735 -2.3735 -2.1635 -2.1635 -2.0002 -2.0002 -1.9509 -1.9509 4.7142 4.7142 4.9070 4.9070 4.9523 4.9523 5.8013 5.8013 k = 0.2612-0.2694 0.7880 ( 11795 PWs) bands (ev): -98.3728 -98.3728 -98.3727 -98.3727 -98.3719 -98.3719 -98.3719 -98.3719 -98.2715 -98.2715 -98.2715 -98.2715 -6.3264 -6.3264 -6.0670 -6.0670 -5.8232 -5.8232 -4.8885 -4.8885 -4.6384 -4.6384 -3.3652 -3.3652 -2.8501 -2.8501 -2.4626 -2.4626 -2.3622 -2.3622 -2.1437 -2.1437 -1.9741 -1.9741 -1.9497 -1.9497 4.7029 4.7029 4.9348 4.9348 4.9468 4.9468 5.7624 5.7624 k = 0.2677-0.2762 0.7706 ( 11789 PWs) bands (ev): -98.3728 -98.3728 -98.3728 -98.3728 -98.3719 -98.3719 -98.3719 -98.3719 -98.2715 -98.2715 -98.2715 -98.2715 -6.3343 -6.3343 -6.1147 -6.1147 -5.8761 -5.8761 -4.9255 -4.9255 -4.5883 -4.5883 -3.2894 -3.2894 -2.8012 -2.8012 -2.4332 -2.4332 -2.3519 -2.3519 -2.1243 -2.1243 -1.9486 -1.9486 -1.9483 -1.9483 4.6945 4.6945 4.9445 4.9445 4.9645 4.9645 5.7263 5.7263 k = 0.2743-0.2829 0.7532 ( 11789 PWs) bands (ev): -98.3728 -98.3728 -98.3728 -98.3728 -98.3719 -98.3719 -98.3718 -98.3718 -98.2715 -98.2715 -98.2715 -98.2715 -6.3457 -6.3457 -6.1610 -6.1610 -5.9270 -5.9270 -4.9618 -4.9618 -4.5330 -4.5330 -3.2136 -3.2136 -2.7523 -2.7523 -2.4045 -2.4045 -2.3427 -2.3427 -2.1054 -2.1054 -1.9473 -1.9473 -1.9229 -1.9229 4.6890 4.6890 4.9451 4.9451 4.9960 4.9960 5.6932 5.6932 k = 0.2808-0.2897 0.7358 ( 11797 PWs) bands (ev): -98.3728 -98.3728 -98.3728 -98.3728 -98.3719 -98.3719 -98.3718 -98.3718 -98.2715 -98.2715 -98.2715 -98.2715 -6.3601 -6.3601 -6.2058 -6.2058 -5.9761 -5.9761 -4.9975 -4.9975 -4.4732 -4.4732 -3.1382 -3.1382 -2.7038 -2.7038 -2.3766 -2.3766 -2.3343 -2.3343 -2.0871 -2.0871 -1.9460 -1.9460 -1.8977 -1.8977 4.6861 4.6861 4.9484 4.9484 5.0288 5.0288 5.6632 5.6632 k = 0.2874-0.2965 0.7184 ( 11792 PWs) bands (ev): -98.3729 -98.3729 -98.3728 -98.3728 -98.3718 -98.3718 -98.3718 -98.3718 -98.2715 -98.2715 -98.2715 -98.2715 -6.3767 -6.3767 -6.2490 -6.2490 -6.0232 -6.0232 -5.0322 -5.0322 -4.4097 -4.4097 -3.0635 -3.0635 -2.6559 -2.6559 -2.3496 -2.3496 -2.3265 -2.3265 -2.0692 -2.0692 -1.9447 -1.9447 -1.8729 -1.8729 4.6859 4.6859 4.9542 4.9542 5.0622 5.0622 5.6365 5.6365 k = 0.2939-0.3032 0.7011 ( 11793 PWs) bands (ev): -98.3729 -98.3729 -98.3729 -98.3729 -98.3718 -98.3718 -98.3717 -98.3717 -98.2715 -98.2715 -98.2715 -98.2715 -6.3950 -6.3950 -6.2906 -6.2906 -6.0683 -6.0683 -5.0660 -5.0660 -4.3432 -4.3432 -2.9898 -2.9898 -2.6089 -2.6089 -2.3237 -2.3237 -2.3193 -2.3193 -2.0519 -2.0519 -1.9434 -1.9434 -1.8483 -1.8483 4.6880 4.6880 4.9622 4.9622 5.0956 5.0956 5.6131 5.6131 k = 0.3005-0.3100 0.6837 ( 11795 PWs) bands (ev): -98.3729 -98.3729 -98.3729 -98.3729 -98.3718 -98.3718 -98.3717 -98.3717 -98.2715 -98.2715 -98.2715 -98.2715 -6.4146 -6.4146 -6.3305 -6.3305 -6.1114 -6.1114 -5.0987 -5.0987 -4.2744 -4.2744 -2.9175 -2.9175 -2.5629 -2.5629 -2.3122 -2.3122 -2.2990 -2.2990 -2.0352 -2.0352 -1.9420 -1.9420 -1.8241 -1.8241 4.6924 4.6924 4.9719 4.9719 5.1276 5.1276 5.5931 5.5931 k = 0.3071-0.3167 0.6663 ( 11799 PWs) bands (ev): -98.3729 -98.3729 -98.3729 -98.3729 -98.3717 -98.3717 -98.3717 -98.3717 -98.2715 -98.2715 -98.2715 -98.2715 -6.4350 -6.4350 -6.3687 -6.3687 -6.1526 -6.1526 -5.1302 -5.1302 -4.2041 -4.2041 -2.8470 -2.8470 -2.5182 -2.5182 -2.3050 -2.3050 -2.2754 -2.2754 -2.0191 -2.0191 -1.9405 -1.9405 -1.8002 -1.8002 4.6989 4.6989 4.9829 4.9829 5.1561 5.1561 5.5765 5.5765 k = 0.3136-0.3235 0.6489 ( 11789 PWs) bands (ev): -98.3730 -98.3730 -98.3729 -98.3729 -98.3717 -98.3717 -98.3717 -98.3717 -98.2715 -98.2715 -98.2715 -98.2715 -6.4558 -6.4558 -6.4051 -6.4051 -6.1917 -6.1917 -5.1605 -5.1605 -4.1328 -4.1328 -2.7790 -2.7790 -2.4750 -2.4750 -2.2973 -2.2973 -2.2531 -2.2531 -2.0037 -2.0037 -1.9389 -1.9389 -1.7767 -1.7767 4.7072 4.7072 4.9947 4.9947 5.1772 5.1772 5.5628 5.5628 k = 0.3202-0.3303 0.6315 ( 11783 PWs) bands (ev): -98.3730 -98.3730 -98.3730 -98.3730 -98.3717 -98.3717 -98.3716 -98.3716 -98.2715 -98.2715 -98.2715 -98.2715 -6.4768 -6.4768 -6.4397 -6.4397 -6.2288 -6.2288 -5.1895 -5.1895 -4.0611 -4.0611 -2.7141 -2.7141 -2.4335 -2.4335 -2.2886 -2.2886 -2.2320 -2.2320 -1.9889 -1.9889 -1.9372 -1.9372 -1.7535 -1.7535 4.7171 4.7171 5.0070 5.0070 5.1834 5.1834 5.5515 5.5515 k = 0.3267-0.3370 0.6141 ( 11795 PWs) bands (ev): -98.3730 -98.3730 -98.3730 -98.3730 -98.3717 -98.3717 -98.3716 -98.3716 -98.2715 -98.2715 -98.2715 -98.2715 -6.4975 -6.4975 -6.4725 -6.4725 -6.2638 -6.2638 -5.2171 -5.2171 -3.9897 -3.9897 -2.6531 -2.6531 -2.3940 -2.3940 -2.2781 -2.2781 -2.2120 -2.2120 -1.9751 -1.9751 -1.9351 -1.9351 -1.7309 -1.7309 4.7284 4.7284 5.0193 5.0193 5.1624 5.1624 5.5193 5.5193 k = 0.3333-0.3438 0.5968 ( 11799 PWs) bands (ev): -98.3730 -98.3730 -98.3730 -98.3730 -98.3717 -98.3717 -98.3716 -98.3716 -98.2715 -98.2715 -98.2715 -98.2715 -6.5179 -6.5179 -6.5034 -6.5034 -6.2968 -6.2968 -5.2432 -5.2432 -3.9190 -3.9190 -2.5973 -2.5973 -2.3567 -2.3567 -2.2649 -2.2649 -2.1933 -2.1933 -1.9624 -1.9624 -1.9324 -1.9324 -1.7087 -1.7087 4.7408 4.7408 5.0313 5.0313 5.1048 5.1048 5.4820 5.4820 k = 0.3398-0.3506 0.5794 ( 11804 PWs) bands (ev): -98.3731 -98.3731 -98.3730 -98.3730 -98.3716 -98.3716 -98.3716 -98.3716 -98.2715 -98.2715 -98.2715 -98.2715 -6.5376 -6.5376 -6.5324 -6.5324 -6.3276 -6.3276 -5.2679 -5.2679 -3.8498 -3.8498 -2.5478 -2.5478 -2.3217 -2.3217 -2.2482 -2.2482 -2.1756 -2.1756 -1.9516 -1.9516 -1.9283 -1.9283 -1.6872 -1.6872 4.7539 4.7539 5.0179 5.0179 5.0429 5.0429 5.4693 5.4693 k = 0.3464-0.3573 0.5620 ( 11807 PWs) bands (ev): -98.3731 -98.3731 -98.3731 -98.3731 -98.3716 -98.3716 -98.3716 -98.3716 -98.2715 -98.2715 -98.2715 -98.2715 -6.5595 -6.5595 -6.5565 -6.5565 -6.3564 -6.3564 -5.2910 -5.2910 -3.7825 -3.7825 -2.5059 -2.5059 -2.2893 -2.2893 -2.2270 -2.2270 -2.1589 -2.1589 -1.9437 -1.9437 -1.9218 -1.9218 -1.6663 -1.6663 4.7674 4.7674 4.9161 4.9161 5.0539 5.0539 5.4668 5.4668 k = 0.3530-0.3641 0.5446 ( 11816 PWs) bands (ev): -98.3731 -98.3731 -98.3731 -98.3731 -98.3716 -98.3716 -98.3715 -98.3715 -98.2715 -98.2715 -98.2715 -98.2715 -6.5846 -6.5846 -6.5745 -6.5745 -6.3832 -6.3832 -5.3126 -5.3126 -3.7177 -3.7177 -2.4720 -2.4720 -2.2597 -2.2597 -2.2009 -2.2009 -2.1431 -2.1431 -1.9387 -1.9387 -1.9128 -1.9128 -1.6463 -1.6463 4.7811 4.7811 4.8096 4.8096 5.0645 5.0645 5.4644 5.4644 k = 0.3595-0.3709 0.5272 ( 11817 PWs) bands (ev): -98.3731 -98.3731 -98.3731 -98.3731 -98.3716 -98.3716 -98.3715 -98.3715 -98.2715 -98.2715 -98.2715 -98.2715 -6.6078 -6.6078 -6.5914 -6.5914 -6.4077 -6.4077 -5.3326 -5.3326 -3.6559 -3.6559 -2.4459 -2.4459 -2.2330 -2.2330 -2.1708 -2.1708 -2.1281 -2.1281 -1.9350 -1.9350 -1.9027 -1.9027 -1.6271 -1.6271 4.7039 4.7039 4.7944 4.7944 5.0747 5.0747 5.4571 5.4572 k = 0.3661-0.3776 0.5098 ( 11816 PWs) bands (ev): -98.3731 -98.3731 -98.3731 -98.3731 -98.3716 -98.3716 -98.3715 -98.3715 -98.2715 -98.2715 -98.2715 -98.2715 -6.6291 -6.6291 -6.6071 -6.6071 -6.4302 -6.4302 -5.3509 -5.3509 -3.5976 -3.5976 -2.4263 -2.4263 -2.2094 -2.2094 -2.1383 -2.1383 -2.1136 -2.1136 -1.9317 -1.9317 -1.8925 -1.8925 -1.6091 -1.6091 4.6020 4.6020 4.8072 4.8072 5.0846 5.0846 5.4435 5.4435 k = 0.3726-0.3844 0.4924 ( 11819 PWs) bands (ev): -98.3731 -98.3731 -98.3731 -98.3731 -98.3716 -98.3716 -98.3715 -98.3715 -98.2715 -98.2715 -98.2715 -98.2715 -6.6483 -6.6483 -6.6216 -6.6216 -6.4506 -6.4506 -5.3675 -5.3675 -3.5433 -3.5433 -2.4118 -2.4118 -2.1890 -2.1890 -2.1053 -2.1053 -2.0998 -2.0998 -1.9281 -1.9281 -1.8826 -1.8826 -1.5922 -1.5922 4.5059 4.5059 4.8191 4.8191 5.0943 5.0943 5.4239 5.4239 k = 0.3792-0.3911 0.4751 ( 11817 PWs) bands (ev): -98.3732 -98.3732 -98.3731 -98.3731 -98.3715 -98.3715 -98.3715 -98.3715 -98.2715 -98.2715 -98.2715 -98.2715 -6.6656 -6.6656 -6.6348 -6.6348 -6.4688 -6.4688 -5.3825 -5.3825 -3.4934 -3.4934 -2.4010 -2.4010 -2.1717 -2.1717 -2.0865 -2.0865 -2.0739 -2.0739 -1.9234 -1.9234 -1.8734 -1.8734 -1.5766 -1.5766 4.4170 4.4170 4.8299 4.8299 5.1038 5.1038 5.4000 5.4000 k = 0.3857-0.3979 0.4577 ( 11821 PWs) bands (ev): -98.3732 -98.3732 -98.3731 -98.3731 -98.3715 -98.3715 -98.3715 -98.3715 -98.2715 -98.2715 -98.2715 -98.2715 -6.6808 -6.6808 -6.6465 -6.6465 -6.4849 -6.4849 -5.3958 -5.3958 -3.4485 -3.4485 -2.3927 -2.3927 -2.1573 -2.1573 -2.0740 -2.0740 -2.0460 -2.0460 -1.9173 -1.9173 -1.8650 -1.8650 -1.5625 -1.5625 4.3363 4.3363 4.8394 4.8394 5.1130 5.1130 5.3739 5.3739 k = 0.3923-0.4047 0.4403 ( 11821 PWs) bands (ev): -98.3732 -98.3732 -98.3731 -98.3731 -98.3715 -98.3715 -98.3715 -98.3715 -98.2715 -98.2715 -98.2715 -98.2715 -6.6941 -6.6941 -6.6568 -6.6568 -6.4989 -6.4989 -5.4073 -5.4073 -3.4088 -3.4088 -2.3864 -2.3864 -2.1455 -2.1455 -2.0626 -2.0626 -2.0229 -2.0229 -1.9091 -1.9091 -1.8577 -1.8577 -1.5499 -1.5499 4.2648 4.2648 4.8476 4.8476 5.1219 5.1219 5.3476 5.3476 k = 0.3988-0.4114 0.4229 ( 11824 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3715 -98.3715 -98.2715 -98.2715 -98.2715 -98.2715 -6.7053 -6.7053 -6.6655 -6.6655 -6.5107 -6.5107 -5.4171 -5.4171 -3.3746 -3.3746 -2.3815 -2.3815 -2.1362 -2.1362 -2.0524 -2.0524 -2.0055 -2.0055 -1.8988 -1.8988 -1.8516 -1.8516 -1.5391 -1.5391 4.2030 4.2030 4.8545 4.8545 5.1301 5.1301 5.3228 5.3228 k = 0.4054-0.4182 0.4055 ( 11817 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3715 -98.3715 -98.2715 -98.2715 -98.2715 -98.2715 -6.7145 -6.7145 -6.6727 -6.6727 -6.5204 -6.5204 -5.4251 -5.4251 -3.3463 -3.3463 -2.3777 -2.3777 -2.1290 -2.1290 -2.0437 -2.0437 -1.9933 -1.9933 -1.8870 -1.8870 -1.8469 -1.8469 -1.5300 -1.5300 4.1517 4.1517 4.8600 4.8600 5.1374 5.1374 5.3008 5.3008 k = 0.4120-0.4250 0.3881 ( 11805 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3714 -98.3714 -98.2715 -98.2715 -98.2715 -98.2715 -6.7216 -6.7216 -6.6784 -6.6784 -6.5279 -6.5279 -5.4313 -5.4313 -3.3241 -3.3241 -2.3749 -2.3749 -2.1235 -2.1235 -2.0367 -2.0367 -1.9854 -1.9854 -1.8751 -1.8751 -1.8439 -1.8439 -1.5229 -1.5229 4.1113 4.1113 4.8642 4.8642 5.1435 5.1435 5.2826 5.2826 k = 0.4185-0.4317 0.3707 ( 11803 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3714 -98.3714 -98.2715 -98.2715 -98.2715 -98.2715 -6.7267 -6.7267 -6.6824 -6.6824 -6.5333 -6.5333 -5.4358 -5.4358 -3.3081 -3.3081 -2.3729 -2.3729 -2.1198 -2.1198 -2.0316 -2.0316 -1.9807 -1.9807 -1.8645 -1.8645 -1.8428 -1.8428 -1.5177 -1.5177 4.0822 4.0822 4.8672 4.8672 5.1480 5.1480 5.2692 5.2692 k = 0.4251-0.4385 0.3534 ( 11801 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3714 -98.3714 -98.2715 -98.2715 -98.2715 -98.2715 -6.7298 -6.7298 -6.6848 -6.6848 -6.5365 -6.5365 -5.4385 -5.4385 -3.2985 -3.2985 -2.3718 -2.3718 -2.1176 -2.1176 -2.0286 -2.0286 -1.9781 -1.9781 -1.8562 -1.8562 -1.8436 -1.8436 -1.5146 -1.5146 4.0646 4.0646 4.8690 4.8690 5.1508 5.1508 5.2609 5.2609 k = 0.4316-0.4452 0.3360 ( 11800 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3714 -98.3714 -98.2715 -98.2715 -98.2715 -98.2715 -6.7308 -6.7308 -6.6857 -6.6857 -6.5376 -6.5376 -5.4394 -5.4394 -3.2953 -3.2953 -2.3714 -2.3714 -2.1169 -2.1169 -2.0275 -2.0275 -1.9773 -1.9773 -1.8522 -1.8522 -1.8450 -1.8450 -1.5136 -1.5136 4.0587 4.0587 4.8695 4.8695 5.1518 5.1518 5.2581 5.2581 k = 0.5684 0.4142 0.0532 ( 11800 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3714 -98.3714 -98.2715 -98.2715 -98.2715 -98.2715 -6.7308 -6.7308 -6.6857 -6.6857 -6.5376 -6.5376 -5.4394 -5.4394 -3.2953 -3.2953 -2.3714 -2.3714 -2.1169 -2.1169 -2.0275 -2.0275 -1.9773 -1.9773 -1.8522 -1.8522 -1.8450 -1.8450 -1.5136 -1.5136 4.0587 4.0587 4.8695 4.8695 5.1518 5.1518 5.2581 5.2581 k = 0.5570 0.4259 0.0444 ( 11808 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3714 -98.3714 -98.2715 -98.2715 -98.2715 -98.2715 -6.6964 -6.6964 -6.6815 -6.6815 -6.5465 -6.5465 -5.5028 -5.5028 -3.3010 -3.3010 -2.3374 -2.3374 -2.1133 -2.1133 -2.0141 -2.0141 -1.9467 -1.9467 -1.8768 -1.8768 -1.8481 -1.8481 -1.4973 -1.4973 4.0480 4.0480 4.8774 4.8774 5.1545 5.1545 5.2717 5.2717 k = 0.5456 0.4377 0.0355 ( 11802 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3714 -98.3714 -98.2715 -98.2715 -98.2715 -98.2715 -6.7053 -6.7053 -6.6366 -6.6366 -6.5537 -6.5537 -5.5593 -5.5593 -3.3057 -3.3057 -2.3048 -2.3048 -2.1103 -2.1103 -2.0031 -2.0031 -1.9219 -1.9219 -1.9077 -1.9077 -1.8442 -1.8442 -1.4839 -1.4839 4.0391 4.0391 4.8848 4.8848 5.1580 5.1580 5.2832 5.2832 k = 0.5342 0.4494 0.0266 ( 11800 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3714 -98.3714 -98.2715 -98.2715 -98.2715 -98.2715 -6.7121 -6.7121 -6.5979 -6.5979 -6.5594 -6.5594 -5.6070 -5.6070 -3.3095 -3.3095 -2.2747 -2.2747 -2.1080 -2.1080 -1.9945 -1.9945 -1.9364 -1.9364 -1.9029 -1.9029 -1.8406 -1.8406 -1.4733 -1.4733 4.0322 4.0322 4.8914 4.8914 5.1617 5.1617 5.2711 5.2711 k = 0.5228 0.4612 0.0177 ( 11806 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3714 -98.3714 -98.2715 -98.2715 -98.2715 -98.2715 -6.7171 -6.7171 -6.5678 -6.5678 -6.5634 -6.5634 -5.6437 -5.6437 -3.3122 -3.3122 -2.2492 -2.2492 -2.1063 -2.1063 -1.9883 -1.9883 -1.9609 -1.9609 -1.8899 -1.8899 -1.8375 -1.8375 -1.4657 -1.4657 4.0273 4.0273 4.8966 4.8966 5.1649 5.1649 5.2548 5.2548 k = 0.5114 0.4730 0.0089 ( 11800 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3714 -98.3714 -98.2715 -98.2715 -98.2715 -98.2715 -6.7200 -6.7200 -6.5659 -6.5659 -6.5484 -6.5484 -5.6669 -5.6669 -3.3138 -3.3138 -2.2314 -2.2314 -2.1053 -2.1053 -1.9846 -1.9846 -1.9782 -1.9782 -1.8824 -1.8824 -1.8352 -1.8352 -1.4611 -1.4611 4.0243 4.0243 4.9000 4.9000 5.1671 5.1671 5.2448 5.2448 k = 0.5000 0.4847-0.0000 ( 11812 PWs) bands (ev): -98.3732 -98.3732 -98.3732 -98.3732 -98.3715 -98.3715 -98.3714 -98.3714 -98.2715 -98.2715 -98.2715 -98.2715 -6.7210 -6.7210 -6.5667 -6.5667 -6.5418 -6.5418 -5.6749 -5.6749 -3.3144 -3.3144 -2.2249 -2.2249 -2.1050 -2.1050 -1.9845 -1.9845 -1.9834 -1.9834 -1.8800 -1.8800 -1.8343 -1.8343 -1.4596 -1.4596 4.0233 4.0233 4.9012 4.9012 5.1679 5.1679 5.2414 5.2414 Writing output data file BeH2.save init_run : 0.89s CPU 1.03s WALL ( 1 calls) electrons : 373.66s CPU 377.65s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.15s CPU 0.20s WALL ( 1 calls) Called by electrons: c_bands : 373.66s CPU 377.64s WALL ( 1 calls) v_of_rho : 0.04s CPU 0.05s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.04s CPU 0.04s WALL ( 1 calls) newd : 0.04s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.12s WALL ( 342 calls) cegterg : 331.38s CPU 334.30s WALL ( 600 calls) Called by sum_band: Called by *egterg: h_psi : 273.48s CPU 275.79s WALL ( 9997 calls) s_psi : 5.35s CPU 5.27s WALL ( 9997 calls) g_psi : 0.65s CPU 0.69s WALL ( 9055 calls) cdiaghg : 47.67s CPU 48.34s WALL ( 9397 calls) cegterg:over : 14.09s CPU 14.26s WALL ( 9055 calls) cegterg:upda : 14.96s CPU 15.04s WALL ( 9055 calls) cegterg:last : 7.44s CPU 7.46s WALL ( 1626 calls) cdiaghg:chol : 2.86s CPU 2.90s WALL ( 9397 calls) cdiaghg:inve : 1.59s CPU 1.48s WALL ( 9397 calls) cdiaghg:para : 2.92s CPU 2.89s WALL ( 18794 calls) Called by h_psi: h_psi:vloc : 256.72s CPU 259.01s WALL ( 9997 calls) h_psi:vnl : 15.96s CPU 15.98s WALL ( 9997 calls) add_vuspsi : 5.80s CPU 5.73s WALL ( 9997 calls) General routines calbec : 10.12s CPU 10.21s WALL ( 9997 calls) fft : 0.04s CPU 0.05s WALL ( 18 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 214.72s CPU 216.89s WALL ( 862552 calls) interpolate : 0.02s CPU 0.01s WALL ( 4 calls) davcio : 0.30s CPU 0.44s WALL ( 684 calls) Parallel routines fft_scatter : 71.18s CPU 72.66s WALL ( 862574 calls) PWSCF : 6m41.98s CPU 7m 2.16s WALL This run was terminated on: 14:33:58 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=