Program PWSCF v.5.1.1 starts on 12Oct2015 at 7: 1:12 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./BPO4.save/ file B.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 39 22 6 886 382 61 Max 40 23 7 890 403 65 Sum 1901 1099 327 42633 18759 3007 bravais-lattice index = 14 lattice parameter (alat) = 8.5876 a.u. unit-cell volume = 430.6143 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 325.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.587551 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.535339 celldm(5)= -0.535339 celldm(6)= 0.070679 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.070679 0.997499 0.000000 ) a(3) = ( -0.535339 -0.498750 0.681660 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.070856 0.733503 ) b(2) = ( 0.000000 1.002507 0.733503 ) b(3) = ( 0.000000 0.000000 1.467007 ) PseudoPot. # 1 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for B read from file: /home/autes/Pseudo/B.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e6935728e521ae6844adca162131706c Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1059 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for P read from file: /home/autes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1147 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) B 3.00 10.81100 B( 1.00) P 5.00 30.97380 P( 1.00) No symmetry found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 378 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 2) = ( 0.0000000 0.0000000 0.0143824), wk = 0.0026455 k( 3) = ( 0.0000000 0.0000000 0.0287648), wk = 0.0026455 k( 4) = ( 0.0000000 0.0000000 0.0431472), wk = 0.0026455 k( 5) = ( 0.0000000 0.0000000 0.0575297), wk = 0.0026455 k( 6) = ( 0.0000000 0.0000000 0.0719121), wk = 0.0026455 k( 7) = ( 0.0000000 0.0000000 0.0862945), wk = 0.0026455 k( 8) = ( 0.0000000 0.0000000 0.1006769), wk = 0.0026455 k( 9) = ( 0.0000000 0.0000000 0.1150593), wk = 0.0026455 k( 10) = ( 0.0000000 0.0000000 0.1294418), wk = 0.0026455 k( 11) = ( 0.0000000 0.0000000 0.1438242), wk = 0.0026455 k( 12) = ( 0.0000000 0.0000000 0.1582066), wk = 0.0026455 k( 13) = ( 0.0000000 0.0000000 0.1725890), wk = 0.0026455 k( 14) = ( 0.0000000 0.0000000 0.1869714), wk = 0.0026455 k( 15) = ( 0.0000000 0.0000000 0.2013539), wk = 0.0026455 k( 16) = ( 0.0000000 0.0000000 0.2157363), wk = 0.0026455 k( 17) = ( 0.0000000 0.0000000 0.2301187), wk = 0.0026455 k( 18) = ( 0.0000000 0.0000000 0.2445011), wk = 0.0026455 k( 19) = ( 0.0000000 0.0000000 0.2588835), wk = 0.0026455 k( 20) = ( 0.0000000 0.0000000 0.2732659), wk = 0.0026455 k( 21) = ( 0.0000000 0.0000000 0.2876484), wk = 0.0026455 k( 22) = ( 0.0000000 0.0000000 0.3020308), wk = 0.0026455 k( 23) = ( 0.0000000 0.0000000 0.3164132), wk = 0.0026455 k( 24) = ( 0.0000000 0.0000000 0.3307956), wk = 0.0026455 k( 25) = ( 0.0000000 0.0000000 0.3451780), wk = 0.0026455 k( 26) = ( 0.0000000 0.0000000 0.3595605), wk = 0.0026455 k( 27) = ( 0.0000000 0.0000000 0.3739429), wk = 0.0026455 k( 28) = ( 0.0000000 0.0000000 0.3883253), wk = 0.0026455 k( 29) = ( 0.0000000 0.0000000 0.4027077), wk = 0.0026455 k( 30) = ( 0.0000000 0.0000000 0.4170901), wk = 0.0026455 k( 31) = ( 0.0000000 0.0000000 0.4314725), wk = 0.0026455 k( 32) = ( 0.0000000 0.0000000 0.4458550), wk = 0.0026455 k( 33) = ( 0.0000000 0.0000000 0.4602374), wk = 0.0026455 k( 34) = ( 0.0000000 0.0000000 0.4746198), wk = 0.0026455 k( 35) = ( 0.0000000 0.0000000 0.4890022), wk = 0.0026455 k( 36) = ( 0.0000000 0.0000000 0.5033846), wk = 0.0026455 k( 37) = ( 0.0000000 0.0000000 0.5177671), wk = 0.0026455 k( 38) = ( 0.0000000 0.0000000 0.5321495), wk = 0.0026455 k( 39) = ( 0.0000000 0.0000000 0.5465319), wk = 0.0026455 k( 40) = ( 0.0000000 0.0000000 0.5609143), wk = 0.0026455 k( 41) = ( 0.0000000 0.0000000 0.5752967), wk = 0.0026455 k( 42) = ( 0.0000000 0.0000000 0.5896791), wk = 0.0026455 k( 43) = ( 0.0000000 0.0000000 0.6040616), wk = 0.0026455 k( 44) = ( 0.0000000 0.0000000 0.6184440), wk = 0.0026455 k( 45) = ( 0.0000000 0.0000000 0.6328264), wk = 0.0026455 k( 46) = ( 0.0000000 0.0000000 0.6472088), wk = 0.0026455 k( 47) = ( 0.0000000 0.0000000 0.6615912), wk = 0.0026455 k( 48) = ( 0.0000000 0.0000000 0.6759736), wk = 0.0026455 k( 49) = ( 0.0000000 0.0000000 0.6903561), wk = 0.0026455 k( 50) = ( 0.0000000 0.0000000 0.7047385), wk = 0.0026455 k( 51) = ( 0.0000000 0.0000000 0.7191209), wk = 0.0026455 k( 52) = ( 0.0000000 0.0000000 0.7335033), wk = 0.0026455 k( 53) = ( 0.0000000 0.0000000 0.7335033), wk = 0.0026455 k( 54) = ( -0.0094345 0.0101266 0.7335033), wk = 0.0026455 k( 55) = ( -0.0188690 0.0202533 0.7335033), wk = 0.0026455 k( 56) = ( -0.0283035 0.0303799 0.7335033), wk = 0.0026455 k( 57) = ( -0.0377380 0.0405066 0.7335033), wk = 0.0026455 k( 58) = ( -0.0471725 0.0506332 0.7335033), wk = 0.0026455 k( 59) = ( -0.0566070 0.0607599 0.7335033), wk = 0.0026455 k( 60) = ( -0.0660415 0.0708865 0.7335033), wk = 0.0026455 k( 61) = ( -0.0754760 0.0810131 0.7335033), wk = 0.0026455 k( 62) = ( -0.0849105 0.0911398 0.7335033), wk = 0.0026455 k( 63) = ( -0.0943450 0.1012664 0.7335033), wk = 0.0026455 k( 64) = ( -0.1037795 0.1113931 0.7335033), wk = 0.0026455 k( 65) = ( -0.1132140 0.1215197 0.7335033), wk = 0.0026455 k( 66) = ( -0.1226485 0.1316464 0.7335033), wk = 0.0026455 k( 67) = ( -0.1320830 0.1417730 0.7335033), wk = 0.0026455 k( 68) = ( -0.1415175 0.1518996 0.7335033), wk = 0.0026455 k( 69) = ( -0.1509520 0.1620263 0.7335033), wk = 0.0026455 k( 70) = ( -0.1603865 0.1721529 0.7335033), wk = 0.0026455 k( 71) = ( -0.1698210 0.1822796 0.7335033), wk = 0.0026455 k( 72) = ( -0.1792555 0.1924062 0.7335033), wk = 0.0026455 k( 73) = ( -0.1886900 0.2025329 0.7335033), wk = 0.0026455 k( 74) = ( -0.1981245 0.2126595 0.7335033), wk = 0.0026455 k( 75) = ( -0.2075589 0.2227861 0.7335033), wk = 0.0026455 k( 76) = ( -0.2169935 0.2329128 0.7335033), wk = 0.0026455 k( 77) = ( -0.2169935 0.2329128 0.7335033), wk = 0.0026455 k( 78) = ( -0.2237317 0.2401454 0.7236183), wk = 0.0026455 k( 79) = ( -0.2304700 0.2473780 0.7137332), wk = 0.0026455 k( 80) = ( -0.2372082 0.2546106 0.7038482), wk = 0.0026455 k( 81) = ( -0.2439465 0.2618431 0.6939631), wk = 0.0026455 k( 82) = ( -0.2506847 0.2690757 0.6840780), wk = 0.0026455 k( 83) = ( -0.2574230 0.2763083 0.6741930), wk = 0.0026455 k( 84) = ( -0.2641612 0.2835409 0.6643079), wk = 0.0026455 k( 85) = ( -0.2708995 0.2907735 0.6544228), wk = 0.0026455 k( 86) = ( -0.2776377 0.2980061 0.6445378), wk = 0.0026455 k( 87) = ( -0.2843760 0.3052387 0.6346527), wk = 0.0026455 k( 88) = ( -0.2911142 0.3124713 0.6247677), wk = 0.0026455 k( 89) = ( -0.2978525 0.3197039 0.6148826), wk = 0.0026455 k( 90) = ( -0.3045907 0.3269365 0.6049976), wk = 0.0026455 k( 91) = ( -0.3113290 0.3341691 0.5951125), wk = 0.0026455 k( 92) = ( -0.3180672 0.3414016 0.5852274), wk = 0.0026455 k( 93) = ( -0.3248055 0.3486342 0.5753424), wk = 0.0026455 k( 94) = ( -0.3315437 0.3558668 0.5654573), wk = 0.0026455 k( 95) = ( -0.3382820 0.3630994 0.5555723), wk = 0.0026455 k( 96) = ( -0.3450202 0.3703320 0.5456872), wk = 0.0026455 k( 97) = ( -0.3517585 0.3775646 0.5358021), wk = 0.0026455 k( 98) = ( -0.3584967 0.3847972 0.5259171), wk = 0.0026455 k( 99) = ( -0.3584967 0.3847972 0.5259171), wk = 0.0026455 k( 100) = ( -0.3516026 0.3773972 0.5158033), wk = 0.0026455 k( 101) = ( -0.3447084 0.3699973 0.5056895), wk = 0.0026455 k( 102) = ( -0.3378142 0.3625973 0.4955757), wk = 0.0026455 k( 103) = ( -0.3309201 0.3551974 0.4854619), wk = 0.0026455 k( 104) = ( -0.3240259 0.3477975 0.4753481), wk = 0.0026455 k( 105) = ( -0.3171317 0.3403975 0.4652343), wk = 0.0026455 k( 106) = ( -0.3102375 0.3329976 0.4551205), wk = 0.0026455 k( 107) = ( -0.3033434 0.3255976 0.4450068), wk = 0.0026455 k( 108) = ( -0.2964492 0.3181977 0.4348930), wk = 0.0026455 k( 109) = ( -0.2895550 0.3107977 0.4247792), wk = 0.0026455 k( 110) = ( -0.2826609 0.3033978 0.4146654), wk = 0.0026455 k( 111) = ( -0.2757667 0.2959978 0.4045516), wk = 0.0026455 k( 112) = ( -0.2688725 0.2885979 0.3944378), wk = 0.0026455 k( 113) = ( -0.2619784 0.2811979 0.3843240), wk = 0.0026455 k( 114) = ( -0.2550842 0.2737980 0.3742102), wk = 0.0026455 k( 115) = ( -0.2481900 0.2663980 0.3640964), wk = 0.0026455 k( 116) = ( -0.2412959 0.2589981 0.3539826), wk = 0.0026455 k( 117) = ( -0.2344017 0.2515982 0.3438689), wk = 0.0026455 k( 118) = ( -0.2275075 0.2441982 0.3337551), wk = 0.0026455 k( 119) = ( -0.2206134 0.2367983 0.3236413), wk = 0.0026455 k( 120) = ( -0.2137192 0.2293983 0.3135275), wk = 0.0026455 k( 121) = ( -0.2068250 0.2219984 0.3034137), wk = 0.0026455 k( 122) = ( -0.1999309 0.2145984 0.2932999), wk = 0.0026455 k( 123) = ( -0.1930367 0.2071985 0.2831861), wk = 0.0026455 k( 124) = ( -0.1861425 0.1997985 0.2730723), wk = 0.0026455 k( 125) = ( -0.1792484 0.1923986 0.2629585), wk = 0.0026455 k( 126) = ( -0.1723542 0.1849987 0.2528448), wk = 0.0026455 k( 127) = ( -0.1654600 0.1775987 0.2427310), wk = 0.0026455 k( 128) = ( -0.1585659 0.1701988 0.2326172), wk = 0.0026455 k( 129) = ( -0.1516717 0.1627988 0.2225034), wk = 0.0026455 k( 130) = ( -0.1447775 0.1553989 0.2123896), wk = 0.0026455 k( 131) = ( -0.1378834 0.1479989 0.2022758), wk = 0.0026455 k( 132) = ( -0.1309892 0.1405990 0.1921620), wk = 0.0026455 k( 133) = ( -0.1240950 0.1331990 0.1820482), wk = 0.0026455 k( 134) = ( -0.1172008 0.1257991 0.1719344), wk = 0.0026455 k( 135) = ( -0.1103067 0.1183991 0.1618206), wk = 0.0026455 k( 136) = ( -0.1034125 0.1109992 0.1517069), wk = 0.0026455 k( 137) = ( -0.0965184 0.1035992 0.1415931), wk = 0.0026455 k( 138) = ( -0.0896242 0.0961993 0.1314793), wk = 0.0026455 k( 139) = ( -0.0827300 0.0887993 0.1213655), wk = 0.0026455 k( 140) = ( -0.0758358 0.0813994 0.1112517), wk = 0.0026455 k( 141) = ( -0.0689417 0.0739995 0.1011379), wk = 0.0026455 k( 142) = ( -0.0620475 0.0665995 0.0910241), wk = 0.0026455 k( 143) = ( -0.0551533 0.0591996 0.0809103), wk = 0.0026455 k( 144) = ( -0.0482592 0.0517996 0.0707965), wk = 0.0026455 k( 145) = ( -0.0413650 0.0443997 0.0606827), wk = 0.0026455 k( 146) = ( -0.0344708 0.0369997 0.0505690), wk = 0.0026455 k( 147) = ( -0.0275767 0.0295998 0.0404552), wk = 0.0026455 k( 148) = ( -0.0206825 0.0221998 0.0303414), wk = 0.0026455 k( 149) = ( -0.0137883 0.0147999 0.0202276), wk = 0.0026455 k( 150) = ( -0.0068942 0.0073999 0.0101138), wk = 0.0026455 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 152) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 153) = ( 0.0104167 0.0097047 -0.0000000), wk = 0.0026455 k( 154) = ( 0.0208333 0.0194094 -0.0000000), wk = 0.0026455 k( 155) = ( 0.0312500 0.0291141 -0.0000000), wk = 0.0026455 k( 156) = ( 0.0416667 0.0388188 -0.0000000), wk = 0.0026455 k( 157) = ( 0.0520833 0.0485235 -0.0000000), wk = 0.0026455 k( 158) = ( 0.0625000 0.0582282 -0.0000000), wk = 0.0026455 k( 159) = ( 0.0729167 0.0679329 -0.0000000), wk = 0.0026455 k( 160) = ( 0.0833333 0.0776376 -0.0000000), wk = 0.0026455 k( 161) = ( 0.0937500 0.0873423 -0.0000000), wk = 0.0026455 k( 162) = ( 0.1041667 0.0970470 -0.0000000), wk = 0.0026455 k( 163) = ( 0.1145833 0.1067517 -0.0000000), wk = 0.0026455 k( 164) = ( 0.1250000 0.1164564 -0.0000000), wk = 0.0026455 k( 165) = ( 0.1354167 0.1261611 -0.0000000), wk = 0.0026455 k( 166) = ( 0.1458333 0.1358658 -0.0000000), wk = 0.0026455 k( 167) = ( 0.1562500 0.1455705 -0.0000000), wk = 0.0026455 k( 168) = ( 0.1666667 0.1552752 -0.0000000), wk = 0.0026455 k( 169) = ( 0.1770833 0.1649799 -0.0000000), wk = 0.0026455 k( 170) = ( 0.1875000 0.1746846 -0.0000000), wk = 0.0026455 k( 171) = ( 0.1979167 0.1843893 -0.0000000), wk = 0.0026455 k( 172) = ( 0.2083333 0.1940940 -0.0000000), wk = 0.0026455 k( 173) = ( 0.2187500 0.2037987 -0.0000000), wk = 0.0026455 k( 174) = ( 0.2291667 0.2135034 -0.0000000), wk = 0.0026455 k( 175) = ( 0.2395833 0.2232081 -0.0000000), wk = 0.0026455 k( 176) = ( 0.2500000 0.2329128 -0.0000000), wk = 0.0026455 k( 177) = ( 0.2604167 0.2426175 -0.0000000), wk = 0.0026455 k( 178) = ( 0.2708333 0.2523222 -0.0000000), wk = 0.0026455 k( 179) = ( 0.2812500 0.2620269 -0.0000000), wk = 0.0026455 k( 180) = ( 0.2916667 0.2717316 -0.0000000), wk = 0.0026455 k( 181) = ( 0.3020833 0.2814363 -0.0000000), wk = 0.0026455 k( 182) = ( 0.3125000 0.2911410 -0.0000000), wk = 0.0026455 k( 183) = ( 0.3229167 0.3008457 -0.0000000), wk = 0.0026455 k( 184) = ( 0.3333333 0.3105504 -0.0000000), wk = 0.0026455 k( 185) = ( 0.3437500 0.3202551 -0.0000000), wk = 0.0026455 k( 186) = ( 0.3541667 0.3299598 -0.0000000), wk = 0.0026455 k( 187) = ( 0.3645833 0.3396645 -0.0000000), wk = 0.0026455 k( 188) = ( 0.3750000 0.3493692 -0.0000000), wk = 0.0026455 k( 189) = ( 0.3854167 0.3590739 -0.0000000), wk = 0.0026455 k( 190) = ( 0.3958333 0.3687786 -0.0000000), wk = 0.0026455 k( 191) = ( 0.4062500 0.3784833 -0.0000000), wk = 0.0026455 k( 192) = ( 0.4166667 0.3881880 -0.0000000), wk = 0.0026455 k( 193) = ( 0.4270833 0.3978927 -0.0000000), wk = 0.0026455 k( 194) = ( 0.4375000 0.4075974 -0.0000000), wk = 0.0026455 k( 195) = ( 0.4479167 0.4173021 -0.0000000), wk = 0.0026455 k( 196) = ( 0.4583333 0.4270068 -0.0000000), wk = 0.0026455 k( 197) = ( 0.4687500 0.4367115 -0.0000000), wk = 0.0026455 k( 198) = ( 0.4791667 0.4464162 -0.0000000), wk = 0.0026455 k( 199) = ( 0.4895833 0.4561209 -0.0000000), wk = 0.0026455 k( 200) = ( 0.5000000 0.4658256 -0.0000000), wk = 0.0026455 k( 201) = ( 0.5000000 0.4658256 -0.0000000), wk = 0.0026455 k( 202) = ( 0.4932617 0.4730581 0.0098851), wk = 0.0026455 k( 203) = ( 0.4865235 0.4802907 0.0197701), wk = 0.0026455 k( 204) = ( 0.4797852 0.4875233 0.0296552), wk = 0.0026455 k( 205) = ( 0.4730470 0.4947559 0.0395402), wk = 0.0026455 k( 206) = ( 0.4663087 0.5019885 0.0494253), wk = 0.0026455 k( 207) = ( 0.4595705 0.5092211 0.0593104), wk = 0.0026455 k( 208) = ( 0.4528322 0.5164537 0.0691954), wk = 0.0026455 k( 209) = ( 0.4460940 0.5236863 0.0790805), wk = 0.0026455 k( 210) = ( 0.4393557 0.5309189 0.0889655), wk = 0.0026455 k( 211) = ( 0.4326175 0.5381515 0.0988506), wk = 0.0026455 k( 212) = ( 0.4258792 0.5453841 0.1087356), wk = 0.0026455 k( 213) = ( 0.4191410 0.5526166 0.1186207), wk = 0.0026455 k( 214) = ( 0.4124027 0.5598492 0.1285058), wk = 0.0026455 k( 215) = ( 0.4056645 0.5670818 0.1383908), wk = 0.0026455 k( 216) = ( 0.3989262 0.5743144 0.1482759), wk = 0.0026455 k( 217) = ( 0.3921880 0.5815470 0.1581609), wk = 0.0026455 k( 218) = ( 0.3854497 0.5887796 0.1680460), wk = 0.0026455 k( 219) = ( 0.3787115 0.5960122 0.1779311), wk = 0.0026455 k( 220) = ( 0.3719732 0.6032448 0.1878161), wk = 0.0026455 k( 221) = ( 0.3652350 0.6104774 0.1977012), wk = 0.0026455 k( 222) = ( 0.3584967 0.6177100 0.2075862), wk = 0.0026455 k( 223) = ( 0.3584967 0.6177100 0.2075862), wk = 0.0026455 k( 224) = ( 0.3461348 0.6136942 0.2130747), wk = 0.0026455 k( 225) = ( 0.3337728 0.6096785 0.2185632), wk = 0.0026455 k( 226) = ( 0.3214109 0.6056627 0.2240516), wk = 0.0026455 k( 227) = ( 0.3090489 0.6016470 0.2295401), wk = 0.0026455 k( 228) = ( 0.2966870 0.5976313 0.2350286), wk = 0.0026455 k( 229) = ( 0.2843250 0.5936155 0.2405170), wk = 0.0026455 k( 230) = ( 0.2719630 0.5895998 0.2460055), wk = 0.0026455 k( 231) = ( 0.2596011 0.5855841 0.2514939), wk = 0.0026455 k( 232) = ( 0.2472391 0.5815683 0.2569824), wk = 0.0026455 k( 233) = ( 0.2348772 0.5775526 0.2624709), wk = 0.0026455 k( 234) = ( 0.2225152 0.5735369 0.2679593), wk = 0.0026455 k( 235) = ( 0.2101533 0.5695211 0.2734478), wk = 0.0026455 k( 236) = ( 0.1977913 0.5655054 0.2789363), wk = 0.0026455 k( 237) = ( 0.1854293 0.5614896 0.2844247), wk = 0.0026455 k( 238) = ( 0.1730674 0.5574739 0.2899132), wk = 0.0026455 k( 239) = ( 0.1607054 0.5534582 0.2954016), wk = 0.0026455 k( 240) = ( 0.1483435 0.5494424 0.3008901), wk = 0.0026455 k( 241) = ( 0.1359815 0.5454267 0.3063786), wk = 0.0026455 k( 242) = ( 0.1236196 0.5414109 0.3118670), wk = 0.0026455 k( 243) = ( 0.1112576 0.5373952 0.3173555), wk = 0.0026455 k( 244) = ( 0.0988957 0.5333795 0.3228440), wk = 0.0026455 k( 245) = ( 0.0865337 0.5293637 0.3283324), wk = 0.0026455 k( 246) = ( 0.0741717 0.5253480 0.3338209), wk = 0.0026455 k( 247) = ( 0.0618098 0.5213323 0.3393094), wk = 0.0026455 k( 248) = ( 0.0494478 0.5173165 0.3447978), wk = 0.0026455 k( 249) = ( 0.0370859 0.5133008 0.3502863), wk = 0.0026455 k( 250) = ( 0.0247239 0.5092851 0.3557747), wk = 0.0026455 k( 251) = ( 0.0123620 0.5052693 0.3612632), wk = 0.0026455 k( 252) = ( 0.0000000 0.5012536 0.3667517), wk = 0.0026455 k( 253) = ( 0.0000000 0.5012536 0.3667517), wk = 0.0026455 k( 254) = ( 0.0069444 0.4937997 0.3769392), wk = 0.0026455 k( 255) = ( 0.0138889 0.4863457 0.3871268), wk = 0.0026455 k( 256) = ( 0.0208333 0.4788918 0.3973143), wk = 0.0026455 k( 257) = ( 0.0277778 0.4714379 0.4075018), wk = 0.0026455 k( 258) = ( 0.0347222 0.4639840 0.4176894), wk = 0.0026455 k( 259) = ( 0.0416667 0.4565301 0.4278769), wk = 0.0026455 k( 260) = ( 0.0486111 0.4490762 0.4380645), wk = 0.0026455 k( 261) = ( 0.0555556 0.4416223 0.4482520), wk = 0.0026455 k( 262) = ( 0.0625000 0.4341684 0.4584396), wk = 0.0026455 k( 263) = ( 0.0694444 0.4267145 0.4686271), wk = 0.0026455 k( 264) = ( 0.0763889 0.4192606 0.4788147), wk = 0.0026455 k( 265) = ( 0.0833333 0.4118066 0.4890022), wk = 0.0026455 k( 266) = ( 0.0902778 0.4043527 0.4991898), wk = 0.0026455 k( 267) = ( 0.0972222 0.3968988 0.5093773), wk = 0.0026455 k( 268) = ( 0.1041667 0.3894449 0.5195649), wk = 0.0026455 k( 269) = ( 0.1111111 0.3819910 0.5297524), wk = 0.0026455 k( 270) = ( 0.1180556 0.3745371 0.5399400), wk = 0.0026455 k( 271) = ( 0.1250000 0.3670832 0.5501275), wk = 0.0026455 k( 272) = ( 0.1319444 0.3596293 0.5603150), wk = 0.0026455 k( 273) = ( 0.1388889 0.3521754 0.5705026), wk = 0.0026455 k( 274) = ( 0.1458333 0.3447214 0.5806901), wk = 0.0026455 k( 275) = ( 0.1527778 0.3372675 0.5908777), wk = 0.0026455 k( 276) = ( 0.1597222 0.3298136 0.6010652), wk = 0.0026455 k( 277) = ( 0.1666667 0.3223597 0.6112528), wk = 0.0026455 k( 278) = ( 0.1736111 0.3149058 0.6214403), wk = 0.0026455 k( 279) = ( 0.1805556 0.3074519 0.6316279), wk = 0.0026455 k( 280) = ( 0.1875000 0.2999980 0.6418154), wk = 0.0026455 k( 281) = ( 0.1944444 0.2925441 0.6520029), wk = 0.0026455 k( 282) = ( 0.2013889 0.2850902 0.6621905), wk = 0.0026455 k( 283) = ( 0.2083333 0.2776362 0.6723780), wk = 0.0026455 k( 284) = ( 0.2152778 0.2701823 0.6825656), wk = 0.0026455 k( 285) = ( 0.2222222 0.2627284 0.6927531), wk = 0.0026455 k( 286) = ( 0.2291667 0.2552745 0.7029407), wk = 0.0026455 k( 287) = ( 0.2361111 0.2478206 0.7131282), wk = 0.0026455 k( 288) = ( 0.2430556 0.2403667 0.7233158), wk = 0.0026455 k( 289) = ( 0.2500000 0.2329128 0.7335033), wk = 0.0026455 k( 290) = ( 0.2500000 0.2329128 0.7335033), wk = 0.0026455 k( 291) = ( 0.2575758 0.2399707 0.7238569), wk = 0.0026455 k( 292) = ( 0.2651515 0.2470287 0.7142106), wk = 0.0026455 k( 293) = ( 0.2727273 0.2540867 0.7045642), wk = 0.0026455 k( 294) = ( 0.2803030 0.2611446 0.6949178), wk = 0.0026455 k( 295) = ( 0.2878788 0.2682026 0.6852714), wk = 0.0026455 k( 296) = ( 0.2954545 0.2752606 0.6756250), wk = 0.0026455 k( 297) = ( 0.3030303 0.2823185 0.6659786), wk = 0.0026455 k( 298) = ( 0.3106061 0.2893765 0.6563322), wk = 0.0026455 k( 299) = ( 0.3181818 0.2964344 0.6466858), wk = 0.0026455 k( 300) = ( 0.3257576 0.3034924 0.6370394), wk = 0.0026455 k( 301) = ( 0.3333333 0.3105504 0.6273930), wk = 0.0026455 k( 302) = ( 0.3409091 0.3176083 0.6177467), wk = 0.0026455 k( 303) = ( 0.3484849 0.3246663 0.6081003), wk = 0.0026455 k( 304) = ( 0.3560606 0.3317243 0.5984539), wk = 0.0026455 k( 305) = ( 0.3636364 0.3387822 0.5888075), wk = 0.0026455 k( 306) = ( 0.3712121 0.3458402 0.5791611), wk = 0.0026455 k( 307) = ( 0.3787879 0.3528982 0.5695147), wk = 0.0026455 k( 308) = ( 0.3863636 0.3599561 0.5598683), wk = 0.0026455 k( 309) = ( 0.3939394 0.3670141 0.5502219), wk = 0.0026455 k( 310) = ( 0.4015151 0.3740720 0.5405755), wk = 0.0026455 k( 311) = ( 0.4090909 0.3811300 0.5309292), wk = 0.0026455 k( 312) = ( 0.4166667 0.3881880 0.5212828), wk = 0.0026455 k( 313) = ( 0.4242424 0.3952459 0.5116364), wk = 0.0026455 k( 314) = ( 0.4318182 0.4023039 0.5019900), wk = 0.0026455 k( 315) = ( 0.4393939 0.4093619 0.4923436), wk = 0.0026455 k( 316) = ( 0.4469697 0.4164198 0.4826972), wk = 0.0026455 k( 317) = ( 0.4545455 0.4234778 0.4730508), wk = 0.0026455 k( 318) = ( 0.4621212 0.4305357 0.4634044), wk = 0.0026455 k( 319) = ( 0.4696970 0.4375937 0.4537581), wk = 0.0026455 k( 320) = ( 0.4772727 0.4446517 0.4441117), wk = 0.0026455 k( 321) = ( 0.4848485 0.4517096 0.4344653), wk = 0.0026455 k( 322) = ( 0.4924242 0.4587676 0.4248189), wk = 0.0026455 k( 323) = ( 0.5000000 0.4658256 0.4151725), wk = 0.0026455 k( 324) = ( 0.5000000 0.4658256 0.4151725), wk = 0.0026455 k( 325) = ( 0.5000000 0.4658256 0.4008562), wk = 0.0026455 k( 326) = ( 0.5000000 0.4658256 0.3865399), wk = 0.0026455 k( 327) = ( 0.5000000 0.4658256 0.3722236), wk = 0.0026455 k( 328) = ( 0.5000000 0.4658256 0.3579073), wk = 0.0026455 k( 329) = ( 0.5000000 0.4658256 0.3435910), wk = 0.0026455 k( 330) = ( 0.5000000 0.4658256 0.3292747), wk = 0.0026455 k( 331) = ( 0.5000000 0.4658256 0.3149584), wk = 0.0026455 k( 332) = ( 0.5000000 0.4658256 0.3006422), wk = 0.0026455 k( 333) = ( 0.5000000 0.4658256 0.2863259), wk = 0.0026455 k( 334) = ( 0.5000000 0.4658256 0.2720096), wk = 0.0026455 k( 335) = ( 0.5000000 0.4658256 0.2576933), wk = 0.0026455 k( 336) = ( 0.5000000 0.4658256 0.2433770), wk = 0.0026455 k( 337) = ( 0.5000000 0.4658256 0.2290607), wk = 0.0026455 k( 338) = ( 0.5000000 0.4658256 0.2147444), wk = 0.0026455 k( 339) = ( 0.5000000 0.4658256 0.2004281), wk = 0.0026455 k( 340) = ( 0.5000000 0.4658256 0.1861118), wk = 0.0026455 k( 341) = ( 0.5000000 0.4658256 0.1717955), wk = 0.0026455 k( 342) = ( 0.5000000 0.4658256 0.1574792), wk = 0.0026455 k( 343) = ( 0.5000000 0.4658256 0.1431629), wk = 0.0026455 k( 344) = ( 0.5000000 0.4658256 0.1288466), wk = 0.0026455 k( 345) = ( 0.5000000 0.4658256 0.1145303), wk = 0.0026455 k( 346) = ( 0.5000000 0.4658256 0.1002141), wk = 0.0026455 k( 347) = ( 0.5000000 0.4658256 0.0858978), wk = 0.0026455 k( 348) = ( 0.5000000 0.4658256 0.0715815), wk = 0.0026455 k( 349) = ( 0.5000000 0.4658256 0.0572652), wk = 0.0026455 k( 350) = ( 0.5000000 0.4658256 0.0429489), wk = 0.0026455 k( 351) = ( 0.5000000 0.4658256 0.0286326), wk = 0.0026455 k( 352) = ( 0.5000000 0.4658256 0.0143163), wk = 0.0026455 k( 353) = ( 0.5000000 0.4658256 -0.0000000), wk = 0.0026455 k( 354) = ( 0.0000000 0.0000000 0.7335033), wk = 0.0026455 k( 355) = ( 0.0104167 0.0097047 0.7335033), wk = 0.0026455 k( 356) = ( 0.0208333 0.0194094 0.7335033), wk = 0.0026455 k( 357) = ( 0.0312500 0.0291141 0.7335033), wk = 0.0026455 k( 358) = ( 0.0416667 0.0388188 0.7335033), wk = 0.0026455 k( 359) = ( 0.0520833 0.0485235 0.7335033), wk = 0.0026455 k( 360) = ( 0.0625000 0.0582282 0.7335033), wk = 0.0026455 k( 361) = ( 0.0729167 0.0679329 0.7335033), wk = 0.0026455 k( 362) = ( 0.0833333 0.0776376 0.7335033), wk = 0.0026455 k( 363) = ( 0.0937500 0.0873423 0.7335033), wk = 0.0026455 k( 364) = ( 0.1041667 0.0970470 0.7335033), wk = 0.0026455 k( 365) = ( 0.1145833 0.1067517 0.7335033), wk = 0.0026455 k( 366) = ( 0.1250000 0.1164564 0.7335033), wk = 0.0026455 k( 367) = ( 0.1354167 0.1261611 0.7335033), wk = 0.0026455 k( 368) = ( 0.1458333 0.1358658 0.7335033), wk = 0.0026455 k( 369) = ( 0.1562500 0.1455705 0.7335033), wk = 0.0026455 k( 370) = ( 0.1666667 0.1552752 0.7335033), wk = 0.0026455 k( 371) = ( 0.1770833 0.1649799 0.7335033), wk = 0.0026455 k( 372) = ( 0.1875000 0.1746846 0.7335033), wk = 0.0026455 k( 373) = ( 0.1979167 0.1843893 0.7335033), wk = 0.0026455 k( 374) = ( 0.2083333 0.1940940 0.7335033), wk = 0.0026455 k( 375) = ( 0.2187500 0.2037987 0.7335033), wk = 0.0026455 k( 376) = ( 0.2291667 0.2135034 0.7335033), wk = 0.0026455 k( 377) = ( 0.2395833 0.2232081 0.7335033), wk = 0.0026455 k( 378) = ( 0.2500000 0.2329128 0.7335033), wk = 0.0026455 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 2) = ( 0.0000000 0.0000000 0.0098039), wk = 0.0026455 k( 3) = ( 0.0000000 0.0000000 0.0196078), wk = 0.0026455 k( 4) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0026455 k( 5) = ( 0.0000000 0.0000000 0.0392157), wk = 0.0026455 k( 6) = ( 0.0000000 0.0000000 0.0490196), wk = 0.0026455 k( 7) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0026455 k( 8) = ( 0.0000000 0.0000000 0.0686275), wk = 0.0026455 k( 9) = ( 0.0000000 0.0000000 0.0784314), wk = 0.0026455 k( 10) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0026455 k( 11) = ( 0.0000000 0.0000000 0.0980392), wk = 0.0026455 k( 12) = ( 0.0000000 0.0000000 0.1078431), wk = 0.0026455 k( 13) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0026455 k( 14) = ( 0.0000000 0.0000000 0.1274510), wk = 0.0026455 k( 15) = ( 0.0000000 0.0000000 0.1372549), wk = 0.0026455 k( 16) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0026455 k( 17) = ( 0.0000000 0.0000000 0.1568627), wk = 0.0026455 k( 18) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0026455 k( 19) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0026455 k( 20) = ( 0.0000000 0.0000000 0.1862745), wk = 0.0026455 k( 21) = ( 0.0000000 0.0000000 0.1960784), wk = 0.0026455 k( 22) = ( 0.0000000 0.0000000 0.2058823), wk = 0.0026455 k( 23) = ( 0.0000000 0.0000000 0.2156863), wk = 0.0026455 k( 24) = ( 0.0000000 0.0000000 0.2254902), wk = 0.0026455 k( 25) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0026455 k( 26) = ( 0.0000000 0.0000000 0.2450980), wk = 0.0026455 k( 27) = ( 0.0000000 0.0000000 0.2549020), wk = 0.0026455 k( 28) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0026455 k( 29) = ( 0.0000000 0.0000000 0.2745098), wk = 0.0026455 k( 30) = ( 0.0000000 0.0000000 0.2843137), wk = 0.0026455 k( 31) = ( 0.0000000 0.0000000 0.2941177), wk = 0.0026455 k( 32) = ( 0.0000000 0.0000000 0.3039216), wk = 0.0026455 k( 33) = ( 0.0000000 0.0000000 0.3137255), wk = 0.0026455 k( 34) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0026455 k( 35) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0026455 k( 36) = ( 0.0000000 0.0000000 0.3431373), wk = 0.0026455 k( 37) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0026455 k( 38) = ( 0.0000000 0.0000000 0.3627451), wk = 0.0026455 k( 39) = ( 0.0000000 0.0000000 0.3725490), wk = 0.0026455 k( 40) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0026455 k( 41) = ( 0.0000000 0.0000000 0.3921569), wk = 0.0026455 k( 42) = ( 0.0000000 0.0000000 0.4019608), wk = 0.0026455 k( 43) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0026455 k( 44) = ( 0.0000000 0.0000000 0.4215686), wk = 0.0026455 k( 45) = ( 0.0000000 0.0000000 0.4313726), wk = 0.0026455 k( 46) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0026455 k( 47) = ( 0.0000000 0.0000000 0.4509804), wk = 0.0026455 k( 48) = ( 0.0000000 0.0000000 0.4607843), wk = 0.0026455 k( 49) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0026455 k( 50) = ( 0.0000000 0.0000000 0.4803922), wk = 0.0026455 k( 51) = ( 0.0000000 0.0000000 0.4901961), wk = 0.0026455 k( 52) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026455 k( 53) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026455 k( 54) = ( -0.0094345 0.0094345 0.5000000), wk = 0.0026455 k( 55) = ( -0.0188690 0.0188690 0.5000000), wk = 0.0026455 k( 56) = ( -0.0283035 0.0283035 0.5000000), wk = 0.0026455 k( 57) = ( -0.0377380 0.0377380 0.5000000), wk = 0.0026455 k( 58) = ( -0.0471725 0.0471725 0.5000000), wk = 0.0026455 k( 59) = ( -0.0566070 0.0566070 0.5000000), wk = 0.0026455 k( 60) = ( -0.0660415 0.0660415 0.5000000), wk = 0.0026455 k( 61) = ( -0.0754760 0.0754760 0.5000000), wk = 0.0026455 k( 62) = ( -0.0849105 0.0849105 0.5000000), wk = 0.0026455 k( 63) = ( -0.0943450 0.0943450 0.5000000), wk = 0.0026455 k( 64) = ( -0.1037795 0.1037795 0.5000000), wk = 0.0026455 k( 65) = ( -0.1132140 0.1132140 0.5000000), wk = 0.0026455 k( 66) = ( -0.1226485 0.1226485 0.5000000), wk = 0.0026455 k( 67) = ( -0.1320830 0.1320830 0.5000000), wk = 0.0026455 k( 68) = ( -0.1415175 0.1415175 0.5000000), wk = 0.0026455 k( 69) = ( -0.1509520 0.1509520 0.5000000), wk = 0.0026455 k( 70) = ( -0.1603865 0.1603865 0.5000000), wk = 0.0026455 k( 71) = ( -0.1698210 0.1698210 0.5000000), wk = 0.0026455 k( 72) = ( -0.1792555 0.1792555 0.5000000), wk = 0.0026455 k( 73) = ( -0.1886900 0.1886900 0.5000000), wk = 0.0026455 k( 74) = ( -0.1981245 0.1981245 0.5000000), wk = 0.0026455 k( 75) = ( -0.2075589 0.2075589 0.5000000), wk = 0.0026455 k( 76) = ( -0.2169935 0.2169934 0.5000000), wk = 0.0026455 k( 77) = ( -0.2169935 0.2169934 0.5000000), wk = 0.0026455 k( 78) = ( -0.2237317 0.2237317 0.4932617), wk = 0.0026455 k( 79) = ( -0.2304700 0.2304699 0.4865235), wk = 0.0026455 k( 80) = ( -0.2372082 0.2372082 0.4797853), wk = 0.0026455 k( 81) = ( -0.2439465 0.2439465 0.4730470), wk = 0.0026455 k( 82) = ( -0.2506847 0.2506847 0.4663087), wk = 0.0026455 k( 83) = ( -0.2574230 0.2574230 0.4595705), wk = 0.0026455 k( 84) = ( -0.2641612 0.2641612 0.4528322), wk = 0.0026455 k( 85) = ( -0.2708995 0.2708995 0.4460940), wk = 0.0026455 k( 86) = ( -0.2776377 0.2776377 0.4393557), wk = 0.0026455 k( 87) = ( -0.2843760 0.2843760 0.4326175), wk = 0.0026455 k( 88) = ( -0.2911142 0.2911142 0.4258792), wk = 0.0026455 k( 89) = ( -0.2978525 0.2978525 0.4191410), wk = 0.0026455 k( 90) = ( -0.3045907 0.3045907 0.4124027), wk = 0.0026455 k( 91) = ( -0.3113290 0.3113290 0.4056645), wk = 0.0026455 k( 92) = ( -0.3180672 0.3180672 0.3989262), wk = 0.0026455 k( 93) = ( -0.3248055 0.3248055 0.3921880), wk = 0.0026455 k( 94) = ( -0.3315437 0.3315437 0.3854497), wk = 0.0026455 k( 95) = ( -0.3382820 0.3382820 0.3787115), wk = 0.0026455 k( 96) = ( -0.3450202 0.3450202 0.3719732), wk = 0.0026455 k( 97) = ( -0.3517585 0.3517585 0.3652350), wk = 0.0026455 k( 98) = ( -0.3584967 0.3584967 0.3584967), wk = 0.0026455 k( 99) = ( -0.3584967 0.3584967 0.3584967), wk = 0.0026455 k( 100) = ( -0.3516026 0.3516026 0.3516026), wk = 0.0026455 k( 101) = ( -0.3447084 0.3447084 0.3447084), wk = 0.0026455 k( 102) = ( -0.3378142 0.3378142 0.3378142), wk = 0.0026455 k( 103) = ( -0.3309201 0.3309200 0.3309201), wk = 0.0026455 k( 104) = ( -0.3240259 0.3240259 0.3240259), wk = 0.0026455 k( 105) = ( -0.3171317 0.3171317 0.3171317), wk = 0.0026455 k( 106) = ( -0.3102375 0.3102375 0.3102375), wk = 0.0026455 k( 107) = ( -0.3033434 0.3033434 0.3033434), wk = 0.0026455 k( 108) = ( -0.2964492 0.2964492 0.2964492), wk = 0.0026455 k( 109) = ( -0.2895550 0.2895550 0.2895551), wk = 0.0026455 k( 110) = ( -0.2826609 0.2826609 0.2826609), wk = 0.0026455 k( 111) = ( -0.2757667 0.2757667 0.2757667), wk = 0.0026455 k( 112) = ( -0.2688725 0.2688725 0.2688725), wk = 0.0026455 k( 113) = ( -0.2619784 0.2619784 0.2619784), wk = 0.0026455 k( 114) = ( -0.2550842 0.2550842 0.2550842), wk = 0.0026455 k( 115) = ( -0.2481900 0.2481900 0.2481900), wk = 0.0026455 k( 116) = ( -0.2412959 0.2412959 0.2412959), wk = 0.0026455 k( 117) = ( -0.2344017 0.2344017 0.2344017), wk = 0.0026455 k( 118) = ( -0.2275075 0.2275075 0.2275075), wk = 0.0026455 k( 119) = ( -0.2206134 0.2206134 0.2206134), wk = 0.0026455 k( 120) = ( -0.2137192 0.2137192 0.2137192), wk = 0.0026455 k( 121) = ( -0.2068250 0.2068250 0.2068250), wk = 0.0026455 k( 122) = ( -0.1999309 0.1999309 0.1999309), wk = 0.0026455 k( 123) = ( -0.1930367 0.1930367 0.1930367), wk = 0.0026455 k( 124) = ( -0.1861425 0.1861425 0.1861425), wk = 0.0026455 k( 125) = ( -0.1792484 0.1792484 0.1792484), wk = 0.0026455 k( 126) = ( -0.1723542 0.1723542 0.1723542), wk = 0.0026455 k( 127) = ( -0.1654600 0.1654600 0.1654600), wk = 0.0026455 k( 128) = ( -0.1585659 0.1585659 0.1585659), wk = 0.0026455 k( 129) = ( -0.1516717 0.1516717 0.1516717), wk = 0.0026455 k( 130) = ( -0.1447775 0.1447775 0.1447775), wk = 0.0026455 k( 131) = ( -0.1378834 0.1378834 0.1378834), wk = 0.0026455 k( 132) = ( -0.1309892 0.1309892 0.1309892), wk = 0.0026455 k( 133) = ( -0.1240950 0.1240950 0.1240950), wk = 0.0026455 k( 134) = ( -0.1172008 0.1172008 0.1172009), wk = 0.0026455 k( 135) = ( -0.1103067 0.1103067 0.1103067), wk = 0.0026455 k( 136) = ( -0.1034125 0.1034125 0.1034125), wk = 0.0026455 k( 137) = ( -0.0965184 0.0965183 0.0965184), wk = 0.0026455 k( 138) = ( -0.0896242 0.0896242 0.0896242), wk = 0.0026455 k( 139) = ( -0.0827300 0.0827300 0.0827300), wk = 0.0026455 k( 140) = ( -0.0758358 0.0758358 0.0758359), wk = 0.0026455 k( 141) = ( -0.0689417 0.0689417 0.0689417), wk = 0.0026455 k( 142) = ( -0.0620475 0.0620475 0.0620475), wk = 0.0026455 k( 143) = ( -0.0551533 0.0551533 0.0551533), wk = 0.0026455 k( 144) = ( -0.0482592 0.0482592 0.0482592), wk = 0.0026455 k( 145) = ( -0.0413650 0.0413650 0.0413650), wk = 0.0026455 k( 146) = ( -0.0344708 0.0344708 0.0344708), wk = 0.0026455 k( 147) = ( -0.0275767 0.0275767 0.0275767), wk = 0.0026455 k( 148) = ( -0.0206825 0.0206825 0.0206825), wk = 0.0026455 k( 149) = ( -0.0137883 0.0137883 0.0137883), wk = 0.0026455 k( 150) = ( -0.0068942 0.0068942 0.0068942), wk = 0.0026455 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 152) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 153) = ( 0.0104167 0.0104167 -0.0104167), wk = 0.0026455 k( 154) = ( 0.0208333 0.0208333 -0.0208333), wk = 0.0026455 k( 155) = ( 0.0312500 0.0312500 -0.0312500), wk = 0.0026455 k( 156) = ( 0.0416667 0.0416667 -0.0416667), wk = 0.0026455 k( 157) = ( 0.0520833 0.0520833 -0.0520833), wk = 0.0026455 k( 158) = ( 0.0625000 0.0625000 -0.0625000), wk = 0.0026455 k( 159) = ( 0.0729167 0.0729167 -0.0729167), wk = 0.0026455 k( 160) = ( 0.0833333 0.0833333 -0.0833333), wk = 0.0026455 k( 161) = ( 0.0937500 0.0937500 -0.0937500), wk = 0.0026455 k( 162) = ( 0.1041667 0.1041667 -0.1041667), wk = 0.0026455 k( 163) = ( 0.1145833 0.1145833 -0.1145833), wk = 0.0026455 k( 164) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0026455 k( 165) = ( 0.1354167 0.1354167 -0.1354167), wk = 0.0026455 k( 166) = ( 0.1458333 0.1458333 -0.1458333), wk = 0.0026455 k( 167) = ( 0.1562500 0.1562500 -0.1562500), wk = 0.0026455 k( 168) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0026455 k( 169) = ( 0.1770833 0.1770833 -0.1770833), wk = 0.0026455 k( 170) = ( 0.1875000 0.1875000 -0.1875000), wk = 0.0026455 k( 171) = ( 0.1979167 0.1979167 -0.1979167), wk = 0.0026455 k( 172) = ( 0.2083333 0.2083333 -0.2083333), wk = 0.0026455 k( 173) = ( 0.2187500 0.2187500 -0.2187500), wk = 0.0026455 k( 174) = ( 0.2291667 0.2291667 -0.2291667), wk = 0.0026455 k( 175) = ( 0.2395833 0.2395833 -0.2395833), wk = 0.0026455 k( 176) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0026455 k( 177) = ( 0.2604167 0.2604167 -0.2604167), wk = 0.0026455 k( 178) = ( 0.2708333 0.2708333 -0.2708333), wk = 0.0026455 k( 179) = ( 0.2812500 0.2812500 -0.2812500), wk = 0.0026455 k( 180) = ( 0.2916667 0.2916667 -0.2916667), wk = 0.0026455 k( 181) = ( 0.3020833 0.3020833 -0.3020833), wk = 0.0026455 k( 182) = ( 0.3125000 0.3125000 -0.3125000), wk = 0.0026455 k( 183) = ( 0.3229167 0.3229167 -0.3229167), wk = 0.0026455 k( 184) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0026455 k( 185) = ( 0.3437500 0.3437500 -0.3437500), wk = 0.0026455 k( 186) = ( 0.3541667 0.3541667 -0.3541667), wk = 0.0026455 k( 187) = ( 0.3645833 0.3645833 -0.3645833), wk = 0.0026455 k( 188) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0026455 k( 189) = ( 0.3854167 0.3854167 -0.3854167), wk = 0.0026455 k( 190) = ( 0.3958333 0.3958333 -0.3958333), wk = 0.0026455 k( 191) = ( 0.4062500 0.4062500 -0.4062500), wk = 0.0026455 k( 192) = ( 0.4166667 0.4166667 -0.4166667), wk = 0.0026455 k( 193) = ( 0.4270833 0.4270833 -0.4270833), wk = 0.0026455 k( 194) = ( 0.4375000 0.4375000 -0.4375000), wk = 0.0026455 k( 195) = ( 0.4479167 0.4479167 -0.4479167), wk = 0.0026455 k( 196) = ( 0.4583333 0.4583333 -0.4583333), wk = 0.0026455 k( 197) = ( 0.4687500 0.4687500 -0.4687500), wk = 0.0026455 k( 198) = ( 0.4791667 0.4791667 -0.4791667), wk = 0.0026455 k( 199) = ( 0.4895833 0.4895833 -0.4895833), wk = 0.0026455 k( 200) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0026455 k( 201) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0026455 k( 202) = ( 0.4932617 0.5067382 -0.4932617), wk = 0.0026455 k( 203) = ( 0.4865235 0.5134765 -0.4865235), wk = 0.0026455 k( 204) = ( 0.4797852 0.5202147 -0.4797853), wk = 0.0026455 k( 205) = ( 0.4730470 0.5269530 -0.4730470), wk = 0.0026455 k( 206) = ( 0.4663087 0.5336913 -0.4663087), wk = 0.0026455 k( 207) = ( 0.4595705 0.5404295 -0.4595705), wk = 0.0026455 k( 208) = ( 0.4528322 0.5471678 -0.4528322), wk = 0.0026455 k( 209) = ( 0.4460940 0.5539060 -0.4460940), wk = 0.0026455 k( 210) = ( 0.4393557 0.5606443 -0.4393557), wk = 0.0026455 k( 211) = ( 0.4326175 0.5673825 -0.4326175), wk = 0.0026455 k( 212) = ( 0.4258792 0.5741208 -0.4258792), wk = 0.0026455 k( 213) = ( 0.4191410 0.5808590 -0.4191410), wk = 0.0026455 k( 214) = ( 0.4124027 0.5875973 -0.4124027), wk = 0.0026455 k( 215) = ( 0.4056645 0.5943355 -0.4056645), wk = 0.0026455 k( 216) = ( 0.3989262 0.6010738 -0.3989262), wk = 0.0026455 k( 217) = ( 0.3921880 0.6078120 -0.3921880), wk = 0.0026455 k( 218) = ( 0.3854497 0.6145503 -0.3854497), wk = 0.0026455 k( 219) = ( 0.3787115 0.6212885 -0.3787115), wk = 0.0026455 k( 220) = ( 0.3719732 0.6280268 -0.3719732), wk = 0.0026455 k( 221) = ( 0.3652350 0.6347650 -0.3652350), wk = 0.0026455 k( 222) = ( 0.3584967 0.6415033 -0.3584967), wk = 0.0026455 k( 223) = ( 0.3584967 0.6415033 -0.3584967), wk = 0.0026455 k( 224) = ( 0.3461348 0.6366238 -0.3461348), wk = 0.0026455 k( 225) = ( 0.3337728 0.6317444 -0.3337728), wk = 0.0026455 k( 226) = ( 0.3214109 0.6268650 -0.3214109), wk = 0.0026455 k( 227) = ( 0.3090489 0.6219856 -0.3090489), wk = 0.0026455 k( 228) = ( 0.2966870 0.6171062 -0.2966869), wk = 0.0026455 k( 229) = ( 0.2843250 0.6122267 -0.2843250), wk = 0.0026455 k( 230) = ( 0.2719630 0.6073473 -0.2719630), wk = 0.0026455 k( 231) = ( 0.2596011 0.6024679 -0.2596011), wk = 0.0026455 k( 232) = ( 0.2472391 0.5975885 -0.2472391), wk = 0.0026455 k( 233) = ( 0.2348772 0.5927090 -0.2348772), wk = 0.0026455 k( 234) = ( 0.2225152 0.5878296 -0.2225152), wk = 0.0026455 k( 235) = ( 0.2101533 0.5829502 -0.2101532), wk = 0.0026455 k( 236) = ( 0.1977913 0.5780708 -0.1977913), wk = 0.0026455 k( 237) = ( 0.1854293 0.5731913 -0.1854293), wk = 0.0026455 k( 238) = ( 0.1730674 0.5683119 -0.1730674), wk = 0.0026455 k( 239) = ( 0.1607054 0.5634325 -0.1607054), wk = 0.0026455 k( 240) = ( 0.1483435 0.5585531 -0.1483435), wk = 0.0026455 k( 241) = ( 0.1359815 0.5536737 -0.1359815), wk = 0.0026455 k( 242) = ( 0.1236196 0.5487942 -0.1236196), wk = 0.0026455 k( 243) = ( 0.1112576 0.5439148 -0.1112576), wk = 0.0026455 k( 244) = ( 0.0988957 0.5390354 -0.0988957), wk = 0.0026455 k( 245) = ( 0.0865337 0.5341560 -0.0865337), wk = 0.0026455 k( 246) = ( 0.0741717 0.5292765 -0.0741717), wk = 0.0026455 k( 247) = ( 0.0618098 0.5243971 -0.0618098), wk = 0.0026455 k( 248) = ( 0.0494478 0.5195177 -0.0494478), wk = 0.0026455 k( 249) = ( 0.0370859 0.5146383 -0.0370859), wk = 0.0026455 k( 250) = ( 0.0247239 0.5097588 -0.0247239), wk = 0.0026455 k( 251) = ( 0.0123620 0.5048794 -0.0123620), wk = 0.0026455 k( 252) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026455 k( 253) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026455 k( 254) = ( 0.0069444 0.4930556 0.0069444), wk = 0.0026455 k( 255) = ( 0.0138889 0.4861111 0.0138889), wk = 0.0026455 k( 256) = ( 0.0208333 0.4791667 0.0208333), wk = 0.0026455 k( 257) = ( 0.0277778 0.4722222 0.0277778), wk = 0.0026455 k( 258) = ( 0.0347222 0.4652778 0.0347222), wk = 0.0026455 k( 259) = ( 0.0416667 0.4583333 0.0416667), wk = 0.0026455 k( 260) = ( 0.0486111 0.4513889 0.0486111), wk = 0.0026455 k( 261) = ( 0.0555556 0.4444444 0.0555556), wk = 0.0026455 k( 262) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0026455 k( 263) = ( 0.0694444 0.4305556 0.0694444), wk = 0.0026455 k( 264) = ( 0.0763889 0.4236111 0.0763889), wk = 0.0026455 k( 265) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0026455 k( 266) = ( 0.0902778 0.4097222 0.0902778), wk = 0.0026455 k( 267) = ( 0.0972222 0.4027778 0.0972222), wk = 0.0026455 k( 268) = ( 0.1041667 0.3958333 0.1041667), wk = 0.0026455 k( 269) = ( 0.1111111 0.3888889 0.1111111), wk = 0.0026455 k( 270) = ( 0.1180556 0.3819444 0.1180556), wk = 0.0026455 k( 271) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0026455 k( 272) = ( 0.1319444 0.3680556 0.1319444), wk = 0.0026455 k( 273) = ( 0.1388889 0.3611111 0.1388889), wk = 0.0026455 k( 274) = ( 0.1458333 0.3541667 0.1458333), wk = 0.0026455 k( 275) = ( 0.1527778 0.3472222 0.1527778), wk = 0.0026455 k( 276) = ( 0.1597222 0.3402778 0.1597222), wk = 0.0026455 k( 277) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0026455 k( 278) = ( 0.1736111 0.3263889 0.1736111), wk = 0.0026455 k( 279) = ( 0.1805556 0.3194444 0.1805556), wk = 0.0026455 k( 280) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0026455 k( 281) = ( 0.1944444 0.3055556 0.1944444), wk = 0.0026455 k( 282) = ( 0.2013889 0.2986111 0.2013889), wk = 0.0026455 k( 283) = ( 0.2083333 0.2916667 0.2083333), wk = 0.0026455 k( 284) = ( 0.2152778 0.2847222 0.2152778), wk = 0.0026455 k( 285) = ( 0.2222222 0.2777778 0.2222222), wk = 0.0026455 k( 286) = ( 0.2291667 0.2708333 0.2291667), wk = 0.0026455 k( 287) = ( 0.2361111 0.2638889 0.2361111), wk = 0.0026455 k( 288) = ( 0.2430556 0.2569444 0.2430556), wk = 0.0026455 k( 289) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0026455 k( 290) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0026455 k( 291) = ( 0.2575758 0.2575758 0.2358487), wk = 0.0026455 k( 292) = ( 0.2651515 0.2651515 0.2216974), wk = 0.0026455 k( 293) = ( 0.2727273 0.2727273 0.2075460), wk = 0.0026455 k( 294) = ( 0.2803030 0.2803030 0.1933947), wk = 0.0026455 k( 295) = ( 0.2878788 0.2878788 0.1792434), wk = 0.0026455 k( 296) = ( 0.2954545 0.2954545 0.1650921), wk = 0.0026455 k( 297) = ( 0.3030303 0.3030303 0.1509408), wk = 0.0026455 k( 298) = ( 0.3106061 0.3106061 0.1367895), wk = 0.0026455 k( 299) = ( 0.3181818 0.3181818 0.1226382), wk = 0.0026455 k( 300) = ( 0.3257576 0.3257576 0.1084868), wk = 0.0026455 k( 301) = ( 0.3333333 0.3333333 0.0943355), wk = 0.0026455 k( 302) = ( 0.3409091 0.3409091 0.0801842), wk = 0.0026455 k( 303) = ( 0.3484849 0.3484849 0.0660329), wk = 0.0026455 k( 304) = ( 0.3560606 0.3560606 0.0518816), wk = 0.0026455 k( 305) = ( 0.3636364 0.3636364 0.0377302), wk = 0.0026455 k( 306) = ( 0.3712121 0.3712121 0.0235789), wk = 0.0026455 k( 307) = ( 0.3787879 0.3787879 0.0094276), wk = 0.0026455 k( 308) = ( 0.3863636 0.3863636 -0.0047237), wk = 0.0026455 k( 309) = ( 0.3939394 0.3939394 -0.0188750), wk = 0.0026455 k( 310) = ( 0.4015151 0.4015151 -0.0330263), wk = 0.0026455 k( 311) = ( 0.4090909 0.4090909 -0.0471777), wk = 0.0026455 k( 312) = ( 0.4166667 0.4166667 -0.0613290), wk = 0.0026455 k( 313) = ( 0.4242424 0.4242424 -0.0754803), wk = 0.0026455 k( 314) = ( 0.4318182 0.4318182 -0.0896316), wk = 0.0026455 k( 315) = ( 0.4393939 0.4393939 -0.1037829), wk = 0.0026455 k( 316) = ( 0.4469697 0.4469697 -0.1179342), wk = 0.0026455 k( 317) = ( 0.4545455 0.4545455 -0.1320855), wk = 0.0026455 k( 318) = ( 0.4621212 0.4621212 -0.1462369), wk = 0.0026455 k( 319) = ( 0.4696970 0.4696970 -0.1603882), wk = 0.0026455 k( 320) = ( 0.4772727 0.4772727 -0.1745395), wk = 0.0026455 k( 321) = ( 0.4848485 0.4848485 -0.1886908), wk = 0.0026455 k( 322) = ( 0.4924242 0.4924242 -0.2028421), wk = 0.0026455 k( 323) = ( 0.5000000 0.5000000 -0.2169934), wk = 0.0026455 k( 324) = ( 0.5000000 0.5000000 -0.2169934), wk = 0.0026455 k( 325) = ( 0.5000000 0.5000000 -0.2267523), wk = 0.0026455 k( 326) = ( 0.5000000 0.5000000 -0.2365111), wk = 0.0026455 k( 327) = ( 0.5000000 0.5000000 -0.2462700), wk = 0.0026455 k( 328) = ( 0.5000000 0.5000000 -0.2560288), wk = 0.0026455 k( 329) = ( 0.5000000 0.5000000 -0.2657877), wk = 0.0026455 k( 330) = ( 0.5000000 0.5000000 -0.2755465), wk = 0.0026455 k( 331) = ( 0.5000000 0.5000000 -0.2853054), wk = 0.0026455 k( 332) = ( 0.5000000 0.5000000 -0.2950642), wk = 0.0026455 k( 333) = ( 0.5000000 0.5000000 -0.3048231), wk = 0.0026455 k( 334) = ( 0.5000000 0.5000000 -0.3145819), wk = 0.0026455 k( 335) = ( 0.5000000 0.5000000 -0.3243408), wk = 0.0026455 k( 336) = ( 0.5000000 0.5000000 -0.3340996), wk = 0.0026455 k( 337) = ( 0.5000000 0.5000000 -0.3438585), wk = 0.0026455 k( 338) = ( 0.5000000 0.5000000 -0.3536173), wk = 0.0026455 k( 339) = ( 0.5000000 0.5000000 -0.3633761), wk = 0.0026455 k( 340) = ( 0.5000000 0.5000000 -0.3731350), wk = 0.0026455 k( 341) = ( 0.5000000 0.5000000 -0.3828938), wk = 0.0026455 k( 342) = ( 0.5000000 0.5000000 -0.3926527), wk = 0.0026455 k( 343) = ( 0.5000000 0.5000000 -0.4024115), wk = 0.0026455 k( 344) = ( 0.5000000 0.5000000 -0.4121704), wk = 0.0026455 k( 345) = ( 0.5000000 0.5000000 -0.4219292), wk = 0.0026455 k( 346) = ( 0.5000000 0.5000000 -0.4316881), wk = 0.0026455 k( 347) = ( 0.5000000 0.5000000 -0.4414469), wk = 0.0026455 k( 348) = ( 0.5000000 0.5000000 -0.4512058), wk = 0.0026455 k( 349) = ( 0.5000000 0.5000000 -0.4609646), wk = 0.0026455 k( 350) = ( 0.5000000 0.5000000 -0.4707235), wk = 0.0026455 k( 351) = ( 0.5000000 0.5000000 -0.4804823), wk = 0.0026455 k( 352) = ( 0.5000000 0.5000000 -0.4902411), wk = 0.0026455 k( 353) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0026455 k( 354) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026455 k( 355) = ( 0.0104167 0.0104167 0.4895833), wk = 0.0026455 k( 356) = ( 0.0208333 0.0208333 0.4791667), wk = 0.0026455 k( 357) = ( 0.0312500 0.0312500 0.4687500), wk = 0.0026455 k( 358) = ( 0.0416667 0.0416667 0.4583333), wk = 0.0026455 k( 359) = ( 0.0520833 0.0520833 0.4479167), wk = 0.0026455 k( 360) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0026455 k( 361) = ( 0.0729167 0.0729167 0.4270833), wk = 0.0026455 k( 362) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0026455 k( 363) = ( 0.0937500 0.0937500 0.4062500), wk = 0.0026455 k( 364) = ( 0.1041667 0.1041667 0.3958333), wk = 0.0026455 k( 365) = ( 0.1145833 0.1145833 0.3854167), wk = 0.0026455 k( 366) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0026455 k( 367) = ( 0.1354167 0.1354167 0.3645833), wk = 0.0026455 k( 368) = ( 0.1458333 0.1458333 0.3541667), wk = 0.0026455 k( 369) = ( 0.1562500 0.1562500 0.3437500), wk = 0.0026455 k( 370) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0026455 k( 371) = ( 0.1770833 0.1770833 0.3229167), wk = 0.0026455 k( 372) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0026455 k( 373) = ( 0.1979167 0.1979167 0.3020833), wk = 0.0026455 k( 374) = ( 0.2083333 0.2083333 0.2916667), wk = 0.0026455 k( 375) = ( 0.2187500 0.2187500 0.2812500), wk = 0.0026455 k( 376) = ( 0.2291667 0.2291667 0.2708333), wk = 0.0026455 k( 377) = ( 0.2395833 0.2395833 0.2604167), wk = 0.0026455 k( 378) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0026455 Dense grid: 42633 G-vectors FFT dimensions: ( 50, 50, 50) Smooth grid: 18759 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.06 Mb ( 104, 40) NL pseudopotentials 0.08 Mb ( 52, 104) Each V/rho on FFT grid 0.08 Mb ( 5000) Each G-vector array 0.01 Mb ( 887) G-vector shells 0.00 Mb ( 416) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.25 Mb ( 104, 160) Each subspace H/S matrix 0.39 Mb ( 160, 160) Each matrix 0.13 Mb ( 104, 2, 40) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./BPO4.save/charge-density.dat Starting wfc are 48 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 42.6 secs Computing kpt #: 2 total cpu time spent up to now is 43.8 secs Computing kpt #: 3 total cpu time spent up to now is 45.1 secs Computing kpt #: 4 total cpu time spent up to now is 46.2 secs Computing kpt #: 5 total cpu time spent up to now is 47.3 secs Computing kpt #: 6 total cpu time spent up to now is 48.4 secs Computing kpt #: 7 total cpu time spent up to now is 49.6 secs Computing kpt #: 8 total cpu time spent up to now is 50.9 secs Computing kpt #: 9 total cpu time spent up to now is 52.1 secs Computing kpt #: 10 total cpu time spent up to now is 53.3 secs Computing kpt #: 11 total cpu time spent up to now is 54.4 secs Computing kpt #: 12 total cpu time spent up to now is 55.6 secs Computing kpt #: 13 total cpu time spent up to now is 56.7 secs Computing kpt #: 14 total cpu time spent up to now is 57.9 secs Computing kpt #: 15 total cpu time spent up to now is 59.0 secs Computing kpt #: 16 total cpu time spent up to now is 60.2 secs Computing kpt #: 17 total cpu time spent up to now is 61.3 secs Computing kpt #: 18 total cpu time spent up to now is 62.5 secs Computing kpt #: 19 total cpu time spent up to now is 63.6 secs Computing kpt #: 20 total cpu time spent up to now is 64.8 secs Computing kpt #: 21 total cpu time spent up to now is 66.0 secs Computing kpt #: 22 total cpu time spent up to now is 67.1 secs Computing kpt #: 23 total cpu time spent up to now is 68.3 secs Computing kpt #: 24 total cpu time spent up to now is 69.5 secs Computing kpt #: 25 total cpu time spent up to now is 70.7 secs Computing kpt #: 26 total cpu time spent up to now is 71.9 secs Computing kpt #: 27 total cpu time spent up to now is 73.0 secs Computing kpt #: 28 total cpu time spent up to now is 74.3 secs Computing kpt #: 29 total cpu time spent up to now is 75.5 secs Computing kpt #: 30 total cpu time spent up to now is 76.7 secs Computing kpt #: 31 total cpu time spent up to now is 77.8 secs Computing kpt #: 32 total cpu time spent up to now is 79.1 secs Computing kpt #: 33 total cpu time spent up to now is 80.3 secs Computing kpt #: 34 total cpu time spent up to now is 81.5 secs Computing kpt #: 35 total cpu time spent up to now is 82.7 secs Computing kpt #: 36 total cpu time spent up to now is 83.9 secs Computing kpt #: 37 total cpu time spent up to now is 85.1 secs Computing kpt #: 38 total cpu time spent up to now is 86.3 secs Computing kpt #: 39 total cpu time spent up to now is 87.6 secs Computing kpt #: 40 total cpu time spent up to now is 88.9 secs Computing kpt #: 41 total cpu time spent up to now is 90.1 secs Computing kpt #: 42 total cpu time spent up to now is 91.4 secs Computing kpt #: 43 total cpu time spent up to now is 92.7 secs Computing kpt #: 44 total cpu time spent up to now is 94.0 secs Computing kpt #: 45 total cpu time spent up to now is 95.2 secs Computing kpt #: 46 total cpu time spent up to now is 96.5 secs Computing kpt #: 47 total cpu time spent up to now is 97.7 secs Computing kpt #: 48 total cpu time spent up to now is 99.0 secs Computing kpt #: 49 total cpu time spent up to now is 100.2 secs Computing kpt #: 50 total cpu time spent up to now is 101.4 secs Computing kpt #: 51 total cpu time spent up to now is 102.6 secs Computing kpt #: 52 total cpu time spent up to now is 104.1 secs Computing kpt #: 53 total cpu time spent up to now is 105.9 secs Computing kpt #: 54 total cpu time spent up to now is 107.7 secs Computing kpt #: 55 total cpu time spent up to now is 109.6 secs Computing kpt #: 56 total cpu time spent up to now is 110.8 secs Computing kpt #: 57 total cpu time spent up to now is 112.2 secs Computing kpt #: 58 total cpu time spent up to now is 113.4 secs Computing kpt #: 59 total cpu time spent up to now is 114.6 secs Computing kpt #: 60 total cpu time spent up to now is 115.9 secs Computing kpt #: 61 total cpu time spent up to now is 117.2 secs Computing kpt #: 62 total cpu time spent up to now is 118.5 secs Computing kpt #: 63 total cpu time spent up to now is 119.7 secs Computing kpt #: 64 total cpu time spent up to now is 121.0 secs Computing kpt #: 65 total cpu time spent up to now is 122.3 secs Computing kpt #: 66 total cpu time spent up to now is 123.6 secs Computing kpt #: 67 total cpu time spent up to now is 124.8 secs Computing kpt #: 68 total cpu time spent up to now is 126.0 secs Computing kpt #: 69 total cpu time spent up to now is 127.2 secs Computing kpt #: 70 total cpu time spent up to now is 128.4 secs Computing kpt #: 71 total cpu time spent up to now is 129.6 secs Computing kpt #: 72 total cpu time spent up to now is 130.8 secs Computing kpt #: 73 total cpu time spent up to now is 132.0 secs Computing kpt #: 74 total cpu time spent up to now is 133.1 secs Computing kpt #: 75 total cpu time spent up to now is 134.3 secs Computing kpt #: 76 total cpu time spent up to now is 135.4 secs Computing kpt #: 77 total cpu time spent up to now is 136.5 secs Computing kpt #: 78 total cpu time spent up to now is 137.7 secs Computing kpt #: 79 total cpu time spent up to now is 138.8 secs Computing kpt #: 80 total cpu time spent up to now is 140.0 secs Computing kpt #: 81 total cpu time spent up to now is 141.1 secs Computing kpt #: 82 total cpu time spent up to now is 142.2 secs Computing kpt #: 83 total cpu time spent up to now is 143.3 secs Computing kpt #: 84 total cpu time spent up to now is 144.4 secs Computing kpt #: 85 total cpu time spent up to now is 145.6 secs Computing kpt #: 86 total cpu time spent up to now is 146.7 secs Computing kpt #: 87 total cpu time spent up to now is 147.9 secs Computing kpt #: 88 total cpu time spent up to now is 149.0 secs Computing kpt #: 89 total cpu time spent up to now is 150.2 secs Computing kpt #: 90 total cpu time spent up to now is 151.3 secs Computing kpt #: 91 total cpu time spent up to now is 152.5 secs Computing kpt #: 92 total cpu time spent up to now is 153.6 secs Computing kpt #: 93 total cpu time spent up to now is 154.7 secs Computing kpt #: 94 total cpu time spent up to now is 155.9 secs Computing kpt #: 95 total cpu time spent up to now is 157.0 secs Computing kpt #: 96 total cpu time spent up to now is 158.2 secs Computing kpt #: 97 total cpu time spent up to now is 159.3 secs Computing kpt #: 98 total cpu time spent up to now is 160.4 secs Computing kpt #: 99 total cpu time spent up to now is 161.5 secs Computing kpt #: 100 total cpu time spent up to now is 162.7 secs Computing kpt #: 101 total cpu time spent up to now is 163.8 secs Computing kpt #: 102 total cpu time spent up to now is 164.9 secs Computing kpt #: 103 total cpu time spent up to now is 166.0 secs Computing kpt #: 104 total cpu time spent up to now is 167.2 secs Computing kpt #: 105 total cpu time spent up to now is 168.3 secs Computing kpt #: 106 total cpu time spent up to now is 169.5 secs Computing kpt #: 107 total cpu time spent up to now is 170.7 secs Computing kpt #: 108 total cpu time spent up to now is 171.8 secs Computing kpt #: 109 total cpu time spent up to now is 172.9 secs Computing kpt #: 110 total cpu time spent up to now is 174.1 secs Computing kpt #: 111 total cpu time spent up to now is 175.2 secs Computing kpt #: 112 total cpu time spent up to now is 176.4 secs Computing kpt #: 113 total cpu time spent up to now is 177.5 secs Computing kpt #: 114 total cpu time spent up to now is 178.6 secs Computing kpt #: 115 total cpu time spent up to now is 179.8 secs Computing kpt #: 116 total cpu time spent up to now is 180.9 secs Computing kpt #: 117 total cpu time spent up to now is 182.1 secs Computing kpt #: 118 total cpu time spent up to now is 183.3 secs Computing kpt #: 119 total cpu time spent up to now is 184.4 secs Computing kpt #: 120 total cpu time spent up to now is 185.6 secs Computing kpt #: 121 total cpu time spent up to now is 186.8 secs Computing kpt #: 122 total cpu time spent up to now is 188.1 secs Computing kpt #: 123 total cpu time spent up to now is 189.3 secs Computing kpt #: 124 total cpu time spent up to now is 190.5 secs Computing kpt #: 125 total cpu time spent up to now is 191.7 secs Computing kpt #: 126 total cpu time spent up to now is 192.8 secs Computing kpt #: 127 total cpu time spent up to now is 194.1 secs Computing kpt #: 128 total cpu time spent up to now is 195.3 secs Computing kpt #: 129 total cpu time spent up to now is 196.5 secs Computing kpt #: 130 total cpu time spent up to now is 197.7 secs Computing kpt #: 131 total cpu time spent up to now is 198.8 secs Computing kpt #: 132 total cpu time spent up to now is 200.1 secs Computing kpt #: 133 total cpu time spent up to now is 201.3 secs Computing kpt #: 134 total cpu time spent up to now is 202.4 secs Computing kpt #: 135 total cpu time spent up to now is 203.6 secs Computing kpt #: 136 total cpu time spent up to now is 204.7 secs Computing kpt #: 137 total cpu time spent up to now is 206.0 secs Computing kpt #: 138 total cpu time spent up to now is 207.2 secs Computing kpt #: 139 total cpu time spent up to now is 208.3 secs Computing kpt #: 140 total cpu time spent up to now is 209.5 secs Computing kpt #: 141 total cpu time spent up to now is 210.6 secs Computing kpt #: 142 total cpu time spent up to now is 211.8 secs Computing kpt #: 143 total cpu time spent up to now is 212.9 secs Computing kpt #: 144 total cpu time spent up to now is 214.1 secs Computing kpt #: 145 total cpu time spent up to now is 215.2 secs Computing kpt #: 146 total cpu time spent up to now is 216.3 secs Computing kpt #: 147 total cpu time spent up to now is 217.5 secs Computing kpt #: 148 total cpu time spent up to now is 218.6 secs Computing kpt #: 149 total cpu time spent up to now is 219.8 secs Computing kpt #: 150 total cpu time spent up to now is 220.9 secs Computing kpt #: 151 total cpu time spent up to now is 221.9 secs Computing kpt #: 152 total cpu time spent up to now is 223.0 secs Computing kpt #: 153 total cpu time spent up to now is 224.1 secs Computing kpt #: 154 total cpu time spent up to now is 225.2 secs Computing kpt #: 155 total cpu time spent up to now is 226.3 secs Computing kpt #: 156 total cpu time spent up to now is 227.4 secs Computing kpt #: 157 total cpu time spent up to now is 228.5 secs Computing kpt #: 158 total cpu time spent up to now is 229.6 secs Computing kpt #: 159 total cpu time spent up to now is 230.7 secs Computing kpt #: 160 total cpu time spent up to now is 231.8 secs Computing kpt #: 161 total cpu time spent up to now is 232.8 secs Computing kpt #: 162 total cpu time spent up to now is 233.9 secs Computing kpt #: 163 total cpu time spent up to now is 235.0 secs Computing kpt #: 164 total cpu time spent up to now is 236.1 secs Computing kpt #: 165 total cpu time spent up to now is 237.2 secs Computing kpt #: 166 total cpu time spent up to now is 238.3 secs Computing kpt #: 167 total cpu time spent up to now is 239.3 secs Computing kpt #: 168 total cpu time spent up to now is 240.4 secs Computing kpt #: 169 total cpu time spent up to now is 241.4 secs Computing kpt #: 170 total cpu time spent up to now is 242.4 secs Computing kpt #: 171 total cpu time spent up to now is 243.5 secs Computing kpt #: 172 total cpu time spent up to now is 244.4 secs Computing kpt #: 173 total cpu time spent up to now is 245.4 secs Computing kpt #: 174 total cpu time spent up to now is 246.5 secs Computing kpt #: 175 total cpu time spent up to now is 247.5 secs Computing kpt #: 176 total cpu time spent up to now is 248.6 secs Computing kpt #: 177 total cpu time spent up to now is 249.6 secs Computing kpt #: 178 total cpu time spent up to now is 250.7 secs Computing kpt #: 179 total cpu time spent up to now is 251.7 secs Computing kpt #: 180 total cpu time spent up to now is 252.7 secs Computing kpt #: 181 total cpu time spent up to now is 253.7 secs Computing kpt #: 182 total cpu time spent up to now is 254.7 secs Computing kpt #: 183 total cpu time spent up to now is 255.8 secs Computing kpt #: 184 total cpu time spent up to now is 256.8 secs Computing kpt #: 185 total cpu time spent up to now is 257.8 secs Computing kpt #: 186 total cpu time spent up to now is 258.9 secs Computing kpt #: 187 total cpu time spent up to now is 259.9 secs Computing kpt #: 188 total cpu time spent up to now is 261.0 secs Computing kpt #: 189 total cpu time spent up to now is 262.0 secs Computing kpt #: 190 total cpu time spent up to now is 263.0 secs Computing kpt #: 191 total cpu time spent up to now is 264.1 secs Computing kpt #: 192 total cpu time spent up to now is 265.1 secs Computing kpt #: 193 total cpu time spent up to now is 266.2 secs Computing kpt #: 194 total cpu time spent up to now is 267.3 secs Computing kpt #: 195 total cpu time spent up to now is 268.3 secs Computing kpt #: 196 total cpu time spent up to now is 269.2 secs Computing kpt #: 197 total cpu time spent up to now is 270.2 secs Computing kpt #: 198 total cpu time spent up to now is 271.2 secs Computing kpt #: 199 total cpu time spent up to now is 272.2 secs Computing kpt #: 200 total cpu time spent up to now is 273.2 secs Computing kpt #: 201 total cpu time spent up to now is 274.1 secs Computing kpt #: 202 total cpu time spent up to now is 275.1 secs Computing kpt #: 203 total cpu time spent up to now is 276.1 secs Computing kpt #: 204 total cpu time spent up to now is 277.1 secs Computing kpt #: 205 total cpu time spent up to now is 278.1 secs Computing kpt #: 206 total cpu time spent up to now is 279.1 secs Computing kpt #: 207 total cpu time spent up to now is 280.3 secs Computing kpt #: 208 total cpu time spent up to now is 281.2 secs Computing kpt #: 209 total cpu time spent up to now is 282.2 secs Computing kpt #: 210 total cpu time spent up to now is 283.3 secs Computing kpt #: 211 total cpu time spent up to now is 284.3 secs Computing kpt #: 212 total cpu time spent up to now is 285.4 secs Computing kpt #: 213 total cpu time spent up to now is 286.5 secs Computing kpt #: 214 total cpu time spent up to now is 287.5 secs Computing kpt #: 215 total cpu time spent up to now is 288.6 secs Computing kpt #: 216 total cpu time spent up to now is 289.6 secs Computing kpt #: 217 total cpu time spent up to now is 290.7 secs Computing kpt #: 218 total cpu time spent up to now is 291.8 secs Computing kpt #: 219 total cpu time spent up to now is 292.9 secs Computing kpt #: 220 total cpu time spent up to now is 294.0 secs Computing kpt #: 221 total cpu time spent up to now is 295.1 secs Computing kpt #: 222 total cpu time spent up to now is 296.3 secs Computing kpt #: 223 total cpu time spent up to now is 297.4 secs Computing kpt #: 224 total cpu time spent up to now is 298.5 secs Computing kpt #: 225 total cpu time spent up to now is 299.6 secs Computing kpt #: 226 total cpu time spent up to now is 300.7 secs Computing kpt #: 227 total cpu time spent up to now is 301.9 secs Computing kpt #: 228 total cpu time spent up to now is 303.0 secs Computing kpt #: 229 total cpu time spent up to now is 304.1 secs Computing kpt #: 230 total cpu time spent up to now is 305.2 secs Computing kpt #: 231 total cpu time spent up to now is 306.4 secs Computing kpt #: 232 total cpu time spent up to now is 307.6 secs Computing kpt #: 233 total cpu time spent up to now is 308.8 secs Computing kpt #: 234 total cpu time spent up to now is 309.9 secs Computing kpt #: 235 total cpu time spent up to now is 311.1 secs Computing kpt #: 236 total cpu time spent up to now is 312.2 secs Computing kpt #: 237 total cpu time spent up to now is 313.4 secs Computing kpt #: 238 total cpu time spent up to now is 314.6 secs Computing kpt #: 239 total cpu time spent up to now is 315.8 secs Computing kpt #: 240 total cpu time spent up to now is 316.9 secs Computing kpt #: 241 total cpu time spent up to now is 318.1 secs Computing kpt #: 242 total cpu time spent up to now is 319.3 secs Computing kpt #: 243 total cpu time spent up to now is 320.5 secs Computing kpt #: 244 total cpu time spent up to now is 321.6 secs Computing kpt #: 245 total cpu time spent up to now is 322.8 secs Computing kpt #: 246 total cpu time spent up to now is 323.9 secs Computing kpt #: 247 total cpu time spent up to now is 325.0 secs Computing kpt #: 248 total cpu time spent up to now is 326.2 secs Computing kpt #: 249 total cpu time spent up to now is 327.4 secs Computing kpt #: 250 total cpu time spent up to now is 328.6 secs Computing kpt #: 251 total cpu time spent up to now is 329.7 secs Computing kpt #: 252 total cpu time spent up to now is 330.8 secs Computing kpt #: 253 total cpu time spent up to now is 332.0 secs Computing kpt #: 254 total cpu time spent up to now is 333.2 secs Computing kpt #: 255 total cpu time spent up to now is 334.3 secs Computing kpt #: 256 total cpu time spent up to now is 335.5 secs Computing kpt #: 257 total cpu time spent up to now is 336.6 secs Computing kpt #: 258 total cpu time spent up to now is 338.0 secs Computing kpt #: 259 total cpu time spent up to now is 339.1 secs Computing kpt #: 260 total cpu time spent up to now is 340.3 secs Computing kpt #: 261 total cpu time spent up to now is 341.4 secs Computing kpt #: 262 total cpu time spent up to now is 342.6 secs Computing kpt #: 263 total cpu time spent up to now is 343.7 secs Computing kpt #: 264 total cpu time spent up to now is 345.0 secs Computing kpt #: 265 total cpu time spent up to now is 346.2 secs Computing kpt #: 266 total cpu time spent up to now is 347.4 secs Computing kpt #: 267 total cpu time spent up to now is 348.5 secs Computing kpt #: 268 total cpu time spent up to now is 349.7 secs Computing kpt #: 269 total cpu time spent up to now is 350.9 secs Computing kpt #: 270 total cpu time spent up to now is 352.0 secs Computing kpt #: 271 total cpu time spent up to now is 353.2 secs Computing kpt #: 272 total cpu time spent up to now is 354.3 secs Computing kpt #: 273 total cpu time spent up to now is 355.5 secs Computing kpt #: 274 total cpu time spent up to now is 356.7 secs Computing kpt #: 275 total cpu time spent up to now is 357.8 secs Computing kpt #: 276 total cpu time spent up to now is 358.9 secs Computing kpt #: 277 total cpu time spent up to now is 360.0 secs Computing kpt #: 278 total cpu time spent up to now is 361.1 secs Computing kpt #: 279 total cpu time spent up to now is 362.3 secs Computing kpt #: 280 total cpu time spent up to now is 363.4 secs Computing kpt #: 281 total cpu time spent up to now is 364.5 secs Computing kpt #: 282 total cpu time spent up to now is 365.6 secs Computing kpt #: 283 total cpu time spent up to now is 366.6 secs Computing kpt #: 284 total cpu time spent up to now is 367.7 secs Computing kpt #: 285 total cpu time spent up to now is 368.8 secs Computing kpt #: 286 total cpu time spent up to now is 369.8 secs Computing kpt #: 287 total cpu time spent up to now is 370.9 secs Computing kpt #: 288 total cpu time spent up to now is 372.0 secs Computing kpt #: 289 total cpu time spent up to now is 373.1 secs Computing kpt #: 290 total cpu time spent up to now is 374.2 secs Computing kpt #: 291 total cpu time spent up to now is 375.3 secs Computing kpt #: 292 total cpu time spent up to now is 376.4 secs Computing kpt #: 293 total cpu time spent up to now is 377.5 secs Computing kpt #: 294 total cpu time spent up to now is 378.6 secs Computing kpt #: 295 total cpu time spent up to now is 379.7 secs Computing kpt #: 296 total cpu time spent up to now is 380.7 secs Computing kpt #: 297 total cpu time spent up to now is 381.8 secs Computing kpt #: 298 total cpu time spent up to now is 382.9 secs Computing kpt #: 299 total cpu time spent up to now is 383.9 secs Computing kpt #: 300 total cpu time spent up to now is 385.0 secs Computing kpt #: 301 total cpu time spent up to now is 386.2 secs Computing kpt #: 302 total cpu time spent up to now is 387.2 secs Computing kpt #: 303 total cpu time spent up to now is 388.4 secs Computing kpt #: 304 total cpu time spent up to now is 389.5 secs Computing kpt #: 305 total cpu time spent up to now is 390.6 secs Computing kpt #: 306 total cpu time spent up to now is 391.8 secs Computing kpt #: 307 total cpu time spent up to now is 392.9 secs Computing kpt #: 308 total cpu time spent up to now is 394.1 secs Computing kpt #: 309 total cpu time spent up to now is 395.3 secs Computing kpt #: 310 total cpu time spent up to now is 396.4 secs Computing kpt #: 311 total cpu time spent up to now is 397.6 secs Computing kpt #: 312 total cpu time spent up to now is 398.8 secs Computing kpt #: 313 total cpu time spent up to now is 399.9 secs Computing kpt #: 314 total cpu time spent up to now is 401.1 secs Computing kpt #: 315 total cpu time spent up to now is 402.2 secs Computing kpt #: 316 total cpu time spent up to now is 403.6 secs Computing kpt #: 317 total cpu time spent up to now is 405.4 secs Computing kpt #: 318 total cpu time spent up to now is 407.1 secs Computing kpt #: 319 total cpu time spent up to now is 408.9 secs Computing kpt #: 320 total cpu time spent up to now is 410.4 secs Computing kpt #: 321 total cpu time spent up to now is 411.6 secs Computing kpt #: 322 total cpu time spent up to now is 412.7 secs Computing kpt #: 323 total cpu time spent up to now is 413.8 secs Computing kpt #: 324 total cpu time spent up to now is 414.9 secs Computing kpt #: 325 total cpu time spent up to now is 416.0 secs Computing kpt #: 326 total cpu time spent up to now is 417.2 secs Computing kpt #: 327 total cpu time spent up to now is 418.4 secs Computing kpt #: 328 total cpu time spent up to now is 419.4 secs Computing kpt #: 329 total cpu time spent up to now is 420.5 secs Computing kpt #: 330 total cpu time spent up to now is 421.6 secs Computing kpt #: 331 total cpu time spent up to now is 422.7 secs Computing kpt #: 332 total cpu time spent up to now is 423.8 secs Computing kpt #: 333 total cpu time spent up to now is 424.8 secs Computing kpt #: 334 total cpu time spent up to now is 425.8 secs Computing kpt #: 335 total cpu time spent up to now is 426.9 secs Computing kpt #: 336 total cpu time spent up to now is 428.0 secs Computing kpt #: 337 total cpu time spent up to now is 429.1 secs Computing kpt #: 338 total cpu time spent up to now is 430.2 secs Computing kpt #: 339 total cpu time spent up to now is 431.2 secs Computing kpt #: 340 total cpu time spent up to now is 432.2 secs Computing kpt #: 341 total cpu time spent up to now is 433.2 secs Computing kpt #: 342 total cpu time spent up to now is 434.4 secs Computing kpt #: 343 total cpu time spent up to now is 435.4 secs Computing kpt #: 344 total cpu time spent up to now is 436.4 secs Computing kpt #: 345 total cpu time spent up to now is 437.5 secs Computing kpt #: 346 total cpu time spent up to now is 438.5 secs Computing kpt #: 347 total cpu time spent up to now is 439.5 secs Computing kpt #: 348 total cpu time spent up to now is 440.4 secs Computing kpt #: 349 total cpu time spent up to now is 441.4 secs Computing kpt #: 350 total cpu time spent up to now is 442.4 secs Computing kpt #: 351 total cpu time spent up to now is 443.4 secs Computing kpt #: 352 total cpu time spent up to now is 444.4 secs Computing kpt #: 353 total cpu time spent up to now is 445.4 secs Computing kpt #: 354 total cpu time spent up to now is 446.6 secs Computing kpt #: 355 total cpu time spent up to now is 447.9 secs Computing kpt #: 356 total cpu time spent up to now is 449.1 secs Computing kpt #: 357 total cpu time spent up to now is 450.3 secs Computing kpt #: 358 total cpu time spent up to now is 451.5 secs Computing kpt #: 359 total cpu time spent up to now is 452.8 secs Computing kpt #: 360 total cpu time spent up to now is 453.9 secs Computing kpt #: 361 total cpu time spent up to now is 455.1 secs Computing kpt #: 362 total cpu time spent up to now is 456.3 secs Computing kpt #: 363 total cpu time spent up to now is 457.6 secs Computing kpt #: 364 total cpu time spent up to now is 458.7 secs Computing kpt #: 365 total cpu time spent up to now is 459.9 secs Computing kpt #: 366 total cpu time spent up to now is 461.1 secs Computing kpt #: 367 total cpu time spent up to now is 462.2 secs Computing kpt #: 368 total cpu time spent up to now is 463.3 secs Computing kpt #: 369 total cpu time spent up to now is 464.5 secs Computing kpt #: 370 total cpu time spent up to now is 465.6 secs Computing kpt #: 371 total cpu time spent up to now is 466.7 secs Computing kpt #: 372 total cpu time spent up to now is 467.9 secs Computing kpt #: 373 total cpu time spent up to now is 469.0 secs Computing kpt #: 374 total cpu time spent up to now is 470.1 secs Computing kpt #: 375 total cpu time spent up to now is 471.2 secs Computing kpt #: 376 total cpu time spent up to now is 472.3 secs Computing kpt #: 377 total cpu time spent up to now is 473.4 secs Computing kpt #: 378 total cpu time spent up to now is 474.4 secs ethr = 3.13E-11, avg # of iterations = 34.3 total cpu time spent up to now is 474.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2341 PWs) bands (ev): -18.5418 -18.5418 -15.1696 -15.1696 -15.1639 -15.1639 -14.9708 -14.9708 -8.1883 -8.1883 -4.3552 -4.3552 -4.3489 -4.3489 -3.7612 -3.7612 -0.5358 -0.5358 0.3950 0.3950 1.3036 1.3036 1.4253 1.4253 1.4494 1.4494 1.5487 1.5487 2.5780 2.5780 2.5877 2.5877 10.3697 10.3697 11.5039 11.5039 13.6399 13.6399 13.6676 13.6676 k = 0.0000 0.0000 0.0144 ( 2337 PWs) bands (ev): -18.5413 -18.5413 -15.1703 -15.1702 -15.1644 -15.1644 -14.9710 -14.9709 -8.1870 -8.1870 -4.3558 -4.3553 -4.3489 -4.3488 -3.7604 -3.7598 -0.5366 -0.5362 0.3954 0.3955 1.3020 1.3025 1.4253 1.4254 1.4492 1.4495 1.5477 1.5478 2.5780 2.5782 2.5876 2.5879 10.3724 10.3724 11.5049 11.5056 13.6387 13.6391 13.6665 13.6668 k = 0.0000 0.0000 0.0288 ( 2337 PWs) bands (ev): -18.5396 -18.5396 -15.1728 -15.1725 -15.1657 -15.1656 -14.9715 -14.9712 -8.1831 -8.1831 -4.3583 -4.3573 -4.3478 -4.3474 -3.7573 -3.7561 -0.5384 -0.5378 0.3970 0.3972 1.2974 1.2985 1.4252 1.4255 1.4492 1.4497 1.5450 1.5453 2.5779 2.5783 2.5875 2.5883 10.3802 10.3802 11.5086 11.5100 13.6353 13.6361 13.6637 13.6642 k = 0.0000 0.0000 0.0431 ( 2337 PWs) bands (ev): -18.5369 -18.5369 -15.1777 -15.1772 -15.1670 -15.1668 -14.9723 -14.9718 -8.1767 -8.1767 -4.3637 -4.3623 -4.3444 -4.3438 -3.7521 -3.7503 -0.5415 -0.5405 0.3995 0.3998 1.2899 1.2915 1.4243 1.4250 1.4501 1.4509 1.5406 1.5412 2.5778 2.5784 2.5877 2.5888 10.3933 10.3933 11.5150 11.5170 13.6293 13.6304 13.6597 13.6606 k = 0.0000 0.0000 0.0575 ( 2341 PWs) bands (ev): -18.5330 -18.5330 -15.1850 -15.1844 -15.1681 -15.1679 -14.9733 -14.9727 -8.1677 -8.1676 -4.3715 -4.3698 -4.3390 -4.3381 -3.7448 -3.7425 -0.5456 -0.5443 0.4031 0.4035 1.2795 1.2817 1.4217 1.4231 1.4524 1.4538 1.5344 1.5359 2.5775 2.5783 2.5881 2.5896 10.4115 10.4115 11.5241 11.5267 13.6200 13.6211 13.6555 13.6568 k = 0.0000 0.0000 0.0719 ( 2341 PWs) bands (ev): -18.5281 -18.5281 -15.1945 -15.1939 -15.1693 -15.1690 -14.9746 -14.9739 -8.1561 -8.1560 -4.3815 -4.3794 -4.3319 -4.3308 -3.7355 -3.7327 -0.5509 -0.5492 0.4078 0.4083 1.2659 1.2687 1.4174 1.4196 1.4556 1.4585 1.5269 1.5301 2.5768 2.5780 2.5890 2.5909 10.4347 10.4348 11.5357 11.5390 13.6070 13.6083 13.6514 13.6533 k = 0.0000 0.0000 0.0863 ( 2341 PWs) bands (ev): -18.5221 -18.5220 -15.2063 -15.2055 -15.1706 -15.1702 -14.9761 -14.9753 -8.1420 -8.1419 -4.3935 -4.3911 -4.3231 -4.3218 -3.7245 -3.7212 -0.5573 -0.5553 0.4136 0.4142 1.2493 1.2527 1.4114 1.4148 1.4581 1.4641 1.5190 1.5251 2.5759 2.5773 2.5904 2.5926 10.4629 10.4630 11.5497 11.5537 13.5907 13.5920 13.6477 13.6502 k = 0.0000 0.0000 0.1007 ( 2339 PWs) bands (ev): -18.5149 -18.5149 -15.2200 -15.2192 -15.1720 -15.1716 -14.9780 -14.9771 -8.1254 -8.1254 -4.4071 -4.4045 -4.3127 -4.3111 -3.7118 -3.7081 -0.5648 -0.5625 0.4204 0.4211 1.2296 1.2335 1.4039 1.4088 1.4577 1.4683 1.5130 1.5231 2.5746 2.5764 2.5923 2.5948 10.4959 10.4960 11.5662 11.5709 13.5712 13.5726 13.6443 13.6475 k = 0.0000 0.0000 0.1151 ( 2343 PWs) bands (ev): -18.5067 -18.5067 -15.2357 -15.2349 -15.1737 -15.1732 -14.9802 -14.9792 -8.1065 -8.1064 -4.4224 -4.4195 -4.3007 -4.2989 -3.6976 -3.6936 -0.5734 -0.5708 0.4283 0.4291 1.2070 1.2113 1.3949 1.4019 1.4524 1.4667 1.5131 1.5260 2.5731 2.5751 2.5946 2.5973 10.5336 10.5337 11.5848 11.5903 13.5490 13.5505 13.6413 13.6451 k = 0.0000 0.0000 0.1294 ( 2339 PWs) bands (ev): -18.4975 -18.4975 -15.2534 -15.2525 -15.1755 -15.1749 -14.9826 -14.9816 -8.0851 -8.0850 -4.4392 -4.4361 -4.2871 -4.2852 -3.6822 -3.6777 -0.5831 -0.5801 0.4372 0.4381 1.1814 1.1860 1.3842 1.3938 1.4421 1.4582 1.5210 1.5342 2.5714 2.5737 2.5973 2.6003 10.5758 10.5759 11.6056 11.6118 13.5245 13.5260 13.6387 13.6431 k = 0.0000 0.0000 0.1438 ( 2333 PWs) bands (ev): -18.4872 -18.4871 -15.2729 -15.2720 -15.1774 -15.1768 -14.9854 -14.9843 -8.0614 -8.0613 -4.4573 -4.4541 -4.2721 -4.2699 -3.6655 -3.6607 -0.5937 -0.5904 0.4473 0.4482 1.1531 1.1579 1.3713 1.3839 1.4285 1.4459 1.5338 1.5463 2.5694 2.5721 2.6003 2.6037 10.6223 10.6225 11.6284 11.6353 13.4979 13.4995 13.6366 13.6418 k = 0.0000 0.0000 0.1582 ( 2341 PWs) bands (ev): -18.4758 -18.4757 -15.2942 -15.2932 -15.1796 -15.1789 -14.9884 -14.9873 -8.0354 -8.0353 -4.4766 -4.4733 -4.2555 -4.2531 -3.6478 -3.6427 -0.6054 -0.6017 0.4583 0.4594 1.1222 1.1270 1.3558 1.3713 1.4137 1.4326 1.5496 1.5613 2.5674 2.5703 2.6037 2.6073 10.6730 10.6731 11.6529 11.6605 13.4695 13.4711 13.6353 13.6411 k = 0.0000 0.0000 0.1726 ( 2347 PWs) bands (ev): -18.4634 -18.4633 -15.3172 -15.3162 -15.1819 -15.1811 -14.9918 -14.9906 -8.0072 -8.0071 -4.4971 -4.4937 -4.2376 -4.2349 -3.6292 -3.6238 -0.6179 -0.6140 0.4703 0.4715 1.0888 1.0935 1.3373 1.3546 1.3998 1.4194 1.5674 1.5785 2.5652 2.5684 2.6073 2.6112 10.7275 10.7277 11.6791 11.6874 13.4396 13.4413 13.6349 13.6414 k = 0.0000 0.0000 0.1870 ( 2343 PWs) bands (ev): -18.4499 -18.4499 -15.3418 -15.3409 -15.1843 -15.1835 -14.9954 -14.9942 -7.9768 -7.9767 -4.5186 -4.5151 -4.2182 -4.2153 -3.6098 -3.6042 -0.6313 -0.6271 0.4834 0.4846 1.0532 1.0577 1.3156 1.3332 1.3878 1.4069 1.5869 1.5976 2.5628 2.5664 2.6112 2.6154 10.7857 10.7860 11.7067 11.7158 13.4085 13.4102 13.6356 13.6428 k = 0.0000 0.0000 0.2014 ( 2351 PWs) bands (ev): -18.4354 -18.4354 -15.3681 -15.3672 -15.1869 -15.1860 -14.9993 -14.9980 -7.9444 -7.9443 -4.5412 -4.5376 -4.1974 -4.1943 -3.5898 -3.5839 -0.6455 -0.6410 0.4973 0.4986 1.0155 1.0198 1.2908 1.3077 1.3772 1.3952 1.6078 1.6181 2.5604 2.5642 2.6153 2.6198 10.8474 10.8477 11.7356 11.7454 13.3764 13.3781 13.6375 13.6455 k = 0.0000 0.0000 0.2157 ( 2351 PWs) bands (ev): -18.4200 -18.4199 -15.3958 -15.3949 -15.1896 -15.1886 -15.0034 -15.0021 -7.9099 -7.9098 -4.5647 -4.5611 -4.1753 -4.1721 -3.5691 -3.5630 -0.6604 -0.6555 0.5120 0.5135 0.9760 0.9799 1.2634 1.2791 1.3677 1.3843 1.6299 1.6401 2.5578 2.5619 2.6196 2.6244 10.9123 10.9126 11.7655 11.7760 13.3436 13.3453 13.6410 13.6497 k = 0.0000 0.0000 0.2301 ( 2351 PWs) bands (ev): -18.4035 -18.4035 -15.4250 -15.4241 -15.1924 -15.1914 -15.0078 -15.0065 -7.8735 -7.8734 -4.5890 -4.5854 -4.1520 -4.1485 -3.5480 -3.5417 -0.6759 -0.6707 0.5275 0.5290 0.9348 0.9384 1.2336 1.2481 1.3586 1.3739 1.6532 1.6632 2.5551 2.5595 2.6240 2.6290 10.9800 10.9804 11.7962 11.8076 13.3104 13.3121 13.6461 13.6555 k = 0.0000 0.0000 0.2445 ( 2351 PWs) bands (ev): -18.3861 -18.3860 -15.4556 -15.4547 -15.1953 -15.1942 -15.0124 -15.0110 -7.8353 -7.8351 -4.6143 -4.6106 -4.1275 -4.1238 -3.5266 -3.5200 -0.6919 -0.6865 0.5436 0.5452 0.8922 0.8953 1.2016 1.2150 1.3498 1.3640 1.6775 1.6874 2.5523 2.5569 2.6285 2.6339 11.0505 11.0509 11.8276 11.8397 13.2769 13.2786 13.6530 13.6632 k = 0.0000 0.0000 0.2589 ( 2355 PWs) bands (ev): -18.3677 -18.3676 -15.4874 -15.4866 -15.1982 -15.1972 -15.0172 -15.0158 -7.7952 -7.7951 -4.6403 -4.6367 -4.1018 -4.0979 -3.5049 -3.4980 -0.7083 -0.7026 0.5601 0.5619 0.8483 0.8509 1.1679 1.1801 1.3412 1.3544 1.7026 1.7125 2.5493 2.5542 2.6331 2.6387 11.1232 11.1238 11.8596 11.8724 13.2434 13.2450 13.6618 13.6729 k = 0.0000 0.0000 0.2733 ( 2355 PWs) bands (ev): -18.3484 -18.3483 -15.5205 -15.5197 -15.2013 -15.2002 -15.0221 -15.0207 -7.7535 -7.7533 -4.6672 -4.6636 -4.0750 -4.0709 -3.4829 -3.4759 -0.7250 -0.7190 0.5771 0.5789 0.8034 0.8054 1.1325 1.1438 1.3329 1.3452 1.7285 1.7385 2.5461 2.5513 2.6378 2.6436 11.1981 11.1988 11.8918 11.9053 13.2100 13.2116 13.6728 13.6846 k = 0.0000 0.0000 0.2876 ( 2359 PWs) bands (ev): -18.3282 -18.3281 -15.5547 -15.5539 -15.2044 -15.2032 -15.0273 -15.0259 -7.7101 -7.7099 -4.6948 -4.6912 -4.0472 -4.0429 -3.4610 -3.4538 -0.7419 -0.7355 0.5941 0.5960 0.7576 0.7590 1.0957 1.1062 1.3250 1.3365 1.7551 1.7651 2.5427 2.5482 2.6425 2.6485 11.2747 11.2755 11.9242 11.9384 13.1771 13.1787 13.6858 13.6984 k = 0.0000 0.0000 0.3020 ( 2359 PWs) bands (ev): -18.3070 -18.3070 -15.5899 -15.5892 -15.2075 -15.2063 -15.0326 -15.0311 -7.6651 -7.6650 -4.7232 -4.7197 -4.0185 -4.0139 -3.4390 -3.4316 -0.7587 -0.7521 0.6110 0.6130 0.7111 0.7120 1.0578 1.0674 1.3174 1.3283 1.7823 1.7924 2.5391 2.5449 2.6471 2.6534 11.3527 11.3536 11.9568 11.9716 13.1447 13.1463 13.7009 13.7143 k = 0.0000 0.0000 0.3164 ( 2359 PWs) bands (ev): -18.2851 -18.2850 -15.6261 -15.6254 -15.2107 -15.2095 -15.0380 -15.0365 -7.6187 -7.6185 -4.7524 -4.7489 -3.9889 -3.9841 -3.4171 -3.4096 -0.7755 -0.7686 0.6276 0.6297 0.6641 0.6646 1.0188 1.0278 1.3106 1.3208 1.8098 1.8201 2.5353 2.5414 2.6517 2.6582 11.4317 11.4328 11.9893 12.0048 13.1131 13.1146 13.7182 13.7323 k = 0.0000 0.0000 0.3308 ( 2359 PWs) bands (ev): -18.2623 -18.2622 -15.6632 -15.6626 -15.2139 -15.2126 -15.0435 -15.0420 -7.5709 -7.5708 -4.7823 -4.7788 -3.9585 -3.9536 -3.3955 -3.3877 -0.7920 -0.7849 0.6158 0.6170 0.6439 0.6461 0.9790 0.9875 1.3046 1.3143 1.8377 1.8481 2.5313 2.5376 2.6562 2.6629 11.5114 11.5127 12.0218 12.0378 13.0824 13.0840 13.7375 13.7522 k = 0.0000 0.0000 0.3452 ( 2359 PWs) bands (ev): -18.2387 -18.2386 -15.7011 -15.7005 -15.2171 -15.2158 -15.0490 -15.0475 -7.5218 -7.5216 -4.8129 -4.8096 -3.9275 -3.9223 -3.3741 -3.3662 -0.8082 -0.8008 0.5679 0.5696 0.6587 0.6610 0.9386 0.9468 1.2997 1.3089 1.8658 1.8764 2.5270 2.5336 2.6605 2.6674 11.5914 11.5928 12.0543 12.0708 13.0529 13.0544 13.7585 13.7740 k = 0.0000 0.0000 0.3596 ( 2363 PWs) bands (ev): -18.2143 -18.2142 -15.7397 -15.7391 -15.2203 -15.2190 -15.0547 -15.0532 -7.4715 -7.4713 -4.8444 -4.8411 -3.8958 -3.8904 -3.3531 -3.3451 -0.8238 -0.8161 0.5197 0.5222 0.6723 0.6747 0.8978 0.9058 1.2962 1.3049 1.8939 1.9047 2.5225 2.5294 2.6647 2.6718 11.6712 11.6728 12.0869 12.1038 13.0245 13.0261 13.7813 13.7973 k = 0.0000 0.0000 0.3739 ( 2359 PWs) bands (ev): -18.1892 -18.1892 -15.7790 -15.7784 -15.2235 -15.2221 -15.0604 -15.0588 -7.4200 -7.4198 -4.8766 -4.8733 -3.8637 -3.8580 -3.3327 -3.3244 -0.8387 -0.8308 0.4716 0.4748 0.6840 0.6866 0.8568 0.8650 1.2944 1.3027 1.9219 1.9330 2.5178 2.5249 2.6687 2.6759 11.7503 11.7522 12.1196 12.1368 12.9977 12.9993 13.8053 13.8219 k = 0.0000 0.0000 0.3883 ( 2361 PWs) bands (ev): -18.1635 -18.1634 -15.8187 -15.8182 -15.2266 -15.2252 -15.0661 -15.0645 -7.3675 -7.3673 -4.9096 -4.9064 -3.8311 -3.8252 -3.3128 -3.3044 -0.8528 -0.8446 0.4236 0.4277 0.6930 0.6962 0.8163 0.8249 1.2946 1.3024 1.9497 1.9611 2.5128 2.5203 2.6724 2.6798 11.8281 11.8303 12.1527 12.1701 12.9723 12.9741 13.8303 13.8474 k = 0.0000 0.0000 0.4027 ( 2365 PWs) bands (ev): -18.1370 -18.1370 -15.8589 -15.8584 -15.2297 -15.2283 -15.0717 -15.0702 -7.3140 -7.3138 -4.9434 -4.9403 -3.7982 -3.7922 -3.2936 -3.2851 -0.8659 -0.8575 0.3759 0.3809 0.6982 0.7024 0.7770 0.7866 1.2971 1.3045 1.9771 1.9888 2.5076 2.5154 2.6759 2.6834 11.9040 11.9065 12.1864 12.2039 12.9487 12.9506 13.8560 13.8735 k = 0.0000 0.0000 0.4171 ( 2361 PWs) bands (ev): -18.1100 -18.1100 -15.8994 -15.8989 -15.2327 -15.2313 -15.0774 -15.0758 -7.2596 -7.2594 -4.9779 -4.9749 -3.7651 -3.7589 -3.2752 -3.2665 -0.8779 -0.8692 0.3285 0.3344 0.6959 0.7018 0.7426 0.7534 1.3022 1.3091 2.0039 2.0160 2.5023 2.5104 2.6791 2.6867 11.9771 11.9800 12.2214 12.2387 12.9269 12.9289 13.8818 13.8997 k = 0.0000 0.0000 0.4315 ( 2365 PWs) bands (ev): -18.0825 -18.0824 -15.9402 -15.9397 -15.2356 -15.2342 -15.0830 -15.0814 -7.2044 -7.2042 -5.0133 -5.0104 -3.7319 -3.7255 -3.2576 -3.2488 -0.8886 -0.8797 0.2814 0.2882 0.6777 0.6830 0.7252 0.7333 1.3099 1.3164 2.0300 2.0424 2.4970 2.5054 2.6819 2.6897 12.0464 12.0498 12.2582 12.2750 12.9071 12.9093 13.9072 13.9255 k = 0.0000 0.0000 0.4459 ( 2361 PWs) bands (ev): -18.0545 -18.0544 -15.9811 -15.9806 -15.2384 -15.2370 -15.0885 -15.0870 -7.1484 -7.1483 -5.0495 -5.0467 -3.6987 -3.6921 -3.2410 -3.2321 -0.8979 -0.8888 0.2347 0.2424 0.6452 0.6508 0.7201 0.7247 1.3203 1.3264 2.0551 2.0678 2.4917 2.5005 2.6844 2.6922 12.1108 12.1148 12.2977 12.3134 12.8894 12.8918 13.9319 13.9503 k = 0.0000 0.0000 0.4602 ( 2359 PWs) bands (ev): -18.0261 -18.0260 -16.0220 -16.0215 -15.2412 -15.2398 -15.0940 -15.0924 -7.0919 -7.0917 -5.0866 -5.0839 -3.6657 -3.6589 -3.2255 -3.2165 -0.9056 -0.8963 0.1883 0.1969 0.6094 0.6160 0.7156 0.7185 1.3335 1.3391 2.0790 2.0921 2.4866 2.4957 2.6865 2.6944 12.1692 12.1740 12.3406 12.3547 12.8739 12.8766 13.9550 13.9737 k = 0.0000 0.0000 0.4746 ( 2353 PWs) bands (ev): -17.9974 -17.9973 -16.0628 -16.0624 -15.2438 -15.2424 -15.0993 -15.0978 -7.0347 -7.0345 -5.1245 -5.1219 -3.6329 -3.6259 -3.2110 -3.2019 -0.9116 -0.9021 0.1421 0.1516 0.5740 0.5816 0.7091 0.7111 1.3492 1.3544 2.1014 2.1148 2.4820 2.4914 2.6881 2.6961 12.2208 12.2268 12.3870 12.3991 12.8608 12.8637 13.9762 13.9950 k = 0.0000 0.0000 0.4890 ( 2353 PWs) bands (ev): -17.9685 -17.9684 -16.1034 -16.1030 -15.2464 -15.2450 -15.1045 -15.1030 -6.9771 -6.9769 -5.1633 -5.1608 -3.6005 -3.5933 -3.1978 -3.1886 -0.9158 -0.9061 0.0962 0.1065 0.5401 0.5485 0.7003 0.7018 1.3672 1.3720 2.1220 2.1357 2.4780 2.4876 2.6893 2.6973 12.2660 12.2733 12.4361 12.4460 12.8501 12.8533 13.9948 14.0135 k = 0.0000 0.0000 0.5034 ( 2353 PWs) bands (ev): -17.9394 -17.9393 -16.1436 -16.1432 -15.2488 -15.2474 -15.1095 -15.1080 -6.9190 -6.9188 -5.2030 -5.2006 -3.5685 -3.5611 -3.1859 -3.1766 -0.9181 -0.9081 0.0504 0.0615 0.5082 0.5172 0.6892 0.6906 1.3872 1.3916 2.1405 2.1543 2.4751 2.4848 2.6900 2.6980 12.3060 12.3145 12.4864 12.4942 12.8419 12.8456 14.0102 14.0288 k = 0.0000 0.0000 0.5178 ( 2365 PWs) bands (ev): -17.9103 -17.9102 -16.1833 -16.1830 -15.2510 -15.2497 -15.1143 -15.1129 -6.8607 -6.8605 -5.2436 -5.2413 -3.5372 -3.5296 -3.1752 -3.1659 -0.9183 -0.9081 0.0048 0.0165 0.4787 0.4883 0.6760 0.6774 1.4089 1.4130 2.1565 2.1703 2.4734 2.4832 2.6901 2.6981 12.3420 12.3513 12.5360 12.5421 12.8364 12.8405 14.0218 14.0402 k = 0.0000 0.0000 0.5321 ( 2359 PWs) bands (ev): -17.8813 -17.8812 -16.2224 -16.2221 -15.2532 -15.2519 -15.1190 -15.1176 -6.8021 -6.8019 -5.2851 -5.2829 -3.5065 -3.4987 -3.1660 -3.1566 -0.9163 -0.9059 -0.0408 -0.0285 0.4519 0.4618 0.6611 0.6627 1.4320 1.4358 2.1697 2.1833 2.4736 2.4832 2.6898 2.6977 12.3751 12.3849 12.5836 12.5883 12.8337 12.8381 14.0291 14.0473 k = 0.0000 0.0000 0.5465 ( 2357 PWs) bands (ev): -17.8526 -17.8525 -16.2606 -16.2603 -15.2552 -15.2539 -15.1234 -15.1221 -6.7434 -6.7432 -5.3274 -5.3253 -3.4766 -3.4687 -3.1582 -3.1487 -0.9121 -0.9015 -0.0863 -0.0735 0.4279 0.4381 0.6447 0.6466 1.4561 1.4597 2.1797 2.1929 2.4757 2.4849 2.6888 2.6966 12.4059 12.4159 12.6283 12.6319 12.8338 12.8386 14.0318 14.0496 k = 0.0000 0.0000 0.5609 ( 2357 PWs) bands (ev): -17.8243 -17.8242 -16.2979 -16.2976 -15.2570 -15.2558 -15.1276 -15.1263 -6.6846 -6.6844 -5.3707 -5.3687 -3.4475 -3.4395 -3.1518 -3.1423 -0.9056 -0.8948 -0.1317 -0.1185 0.4070 0.4174 0.6271 0.6293 1.4809 1.4843 2.1866 2.1991 2.4801 2.4886 2.6872 2.6950 12.4346 12.4445 12.6692 12.6719 12.8368 12.8420 14.0296 14.0469 k = 0.0000 0.0000 0.5753 ( 2344 PWs) bands (ev): -17.7966 -17.7965 -16.3338 -16.3335 -15.2587 -15.2576 -15.1315 -15.1303 -6.6259 -6.6257 -5.4148 -5.4129 -3.4195 -3.4113 -3.1469 -3.1374 -0.8966 -0.8857 -0.1770 -0.1636 0.3891 0.3996 0.6086 0.6112 1.5061 1.5092 2.1901 2.2017 2.4866 2.4944 2.6850 2.6927 12.4615 12.4711 12.7060 12.7081 12.8426 12.8481 14.0225 14.0391 k = 0.0000 0.0000 0.5897 ( 2344 PWs) bands (ev): -17.7698 -17.7697 -16.3683 -16.3680 -15.2603 -15.2592 -15.1351 -15.1340 -6.5674 -6.5671 -5.4597 -5.4580 -3.3926 -3.3842 -3.1435 -3.1340 -0.8853 -0.8741 -0.2222 -0.2085 0.3744 0.3848 0.5896 0.5925 1.5312 1.5341 2.1906 2.2011 2.4951 2.5020 2.6820 2.6896 12.4865 12.4956 12.7386 12.7401 12.8510 12.8569 14.0108 14.0266 k = 0.0000 0.0000 0.6041 ( 2344 PWs) bands (ev): -17.7441 -17.7440 -16.4010 -16.4007 -15.2617 -15.2607 -15.1385 -15.1375 -6.5091 -6.5088 -5.5055 -5.5038 -3.3667 -3.3583 -3.1417 -3.1322 -0.8715 -0.8602 -0.2670 -0.2533 0.3628 0.3730 0.5702 0.5734 1.5560 1.5587 2.1885 2.1978 2.5052 2.5113 2.6785 2.6859 12.5095 12.5180 12.7669 12.7679 12.8619 12.8680 13.9949 14.0098 k = 0.0000 0.0000 0.6184 ( 2344 PWs) bands (ev): -17.7197 -17.7196 -16.4316 -16.4314 -15.2629 -15.2620 -15.1415 -15.1406 -6.4512 -6.4509 -5.5519 -5.5504 -3.3421 -3.3336 -3.1414 -3.1319 -0.8553 -0.8438 -0.3115 -0.2977 0.3542 0.3641 0.5507 0.5543 1.5801 1.5826 2.1841 2.1923 2.5166 2.5220 2.6741 2.6815 12.5304 12.5382 12.7910 12.7916 12.8749 12.8810 13.9757 13.9896 k = 0.0000 0.0000 0.6328 ( 2336 PWs) bands (ev): -17.6970 -17.6969 -16.4599 -16.4597 -15.2640 -15.2632 -15.1442 -15.1434 -6.3940 -6.3936 -5.5990 -5.5975 -3.3188 -3.3101 -3.1426 -3.1331 -0.8366 -0.8249 -0.3554 -0.3416 0.3485 0.3579 0.5316 0.5353 1.6031 1.6053 2.1782 2.1853 2.5288 2.5336 2.6691 2.6763 12.5492 12.5562 12.8110 12.8114 12.8895 12.8955 13.9544 13.9671 k = 0.0000 0.0000 0.6472 ( 2340 PWs) bands (ev): -17.6762 -17.6762 -16.4855 -16.4853 -15.2649 -15.2642 -15.1466 -15.1459 -6.3376 -6.3372 -5.6464 -5.6451 -3.2968 -3.2880 -3.1454 -3.1359 -0.8155 -0.8037 -0.3986 -0.3849 0.3454 0.3544 0.5129 0.5169 1.6245 1.6265 2.1712 2.1772 2.5413 2.5458 2.6634 2.6703 12.5658 12.5719 12.8270 12.8276 12.9050 12.9108 13.9321 13.9434 k = 0.0000 0.0000 0.6616 ( 2344 PWs) bands (ev): -17.6579 -17.6578 -16.5080 -16.5078 -15.2657 -15.2651 -15.1486 -15.1480 -6.2823 -6.2819 -5.6940 -5.6928 -3.2761 -3.2673 -3.1497 -3.1403 -0.7922 -0.7803 -0.4408 -0.4273 0.3448 0.3531 0.4953 0.4994 1.6440 1.6457 2.1639 2.1688 2.5540 2.5583 2.6568 2.6636 12.5802 12.5853 12.8395 12.8403 12.9206 12.9260 13.9101 13.9200 k = 0.0000 0.0000 0.6760 ( 2344 PWs) bands (ev): -17.6422 -17.6422 -16.5270 -16.5269 -15.2663 -15.2658 -15.1503 -15.1498 -6.2288 -6.2284 -5.7411 -5.7400 -3.2569 -3.2479 -3.1556 -3.1461 -0.7667 -0.7547 -0.4819 -0.4686 0.3462 0.3537 0.4790 0.4831 1.6610 1.6624 2.1568 2.1607 2.5666 2.5710 2.6496 2.6561 12.5922 12.5964 12.8491 12.8500 12.9355 12.9402 13.8899 13.8981 k = 0.0000 0.0000 0.6904 ( 2340 PWs) bands (ev): -17.6296 -17.6296 -16.5423 -16.5422 -15.2668 -15.2664 -15.1516 -15.1512 -6.1782 -6.1778 -5.7867 -5.7858 -3.2391 -3.2300 -3.1630 -3.1536 -0.7392 -0.7272 -0.5214 -0.5084 0.3492 0.3556 0.4648 0.4686 1.6749 1.6761 2.1506 2.1535 2.5789 2.5835 2.6415 2.6478 12.6018 12.6050 12.8561 12.8569 12.9486 12.9524 13.8728 13.8791 k = 0.0000 0.0000 0.7047 ( 2340 PWs) bands (ev): -17.6203 -17.6203 -16.5534 -16.5533 -15.2671 -15.2668 -15.1525 -15.1522 -6.1328 -6.1324 -5.8285 -5.8277 -3.2227 -3.2136 -3.1718 -3.1625 -0.7103 -0.6986 -0.5586 -0.5463 0.3531 0.3579 0.4536 0.4567 1.6854 1.6862 2.1458 2.1478 2.5908 2.5957 2.6328 2.6388 12.6089 12.6111 12.8608 12.8614 12.9590 12.9617 13.8599 13.8643 k = 0.0000 0.0000 0.7191 ( 2344 PWs) bands (ev): -17.6147 -17.6147 -16.5602 -16.5602 -15.2672 -15.2671 -15.1530 -15.1528 -6.0980 -6.0977 -5.8610 -5.8605 -3.2079 -3.1988 -3.1821 -3.1729 -0.6815 -0.6716 -0.5908 -0.5806 0.3568 0.3594 0.4465 0.4482 1.6920 1.6924 2.1429 2.1439 2.6022 2.6073 2.6234 2.6290 12.6134 12.6145 12.8636 12.8639 12.9660 12.9674 13.8522 13.8544 k = 0.0000 0.0000 0.7335 ( 2344 PWs) bands (ev): -17.6128 -17.6128 -16.5625 -16.5625 -15.2672 -15.2672 -15.1531 -15.1531 -6.0838 -6.0838 -5.8740 -5.8740 -3.1948 -3.1948 -3.1846 -3.1846 -0.6610 -0.6610 -0.6030 -0.6030 0.3592 0.3592 0.4446 0.4446 1.6944 1.6944 2.1422 2.1422 2.6128 2.6128 2.6187 2.6187 12.6153 12.6153 12.8646 12.8646 12.9688 12.9688 13.8503 13.8503 k = 0.0000 0.0000 0.7335 ( 2344 PWs) bands (ev): -17.6128 -17.6128 -16.5625 -16.5625 -15.2672 -15.2672 -15.1531 -15.1531 -6.0838 -6.0838 -5.8740 -5.8740 -3.1948 -3.1948 -3.1846 -3.1846 -0.6610 -0.6610 -0.6030 -0.6030 0.3592 0.3592 0.4446 0.4446 1.6944 1.6944 2.1422 2.1422 2.6128 2.6128 2.6187 2.6187 12.6153 12.6153 12.8646 12.8646 12.9688 12.9688 13.8503 13.8503 k =-0.0094 0.0101 0.7335 ( 2342 PWs) bands (ev): -17.6128 -17.6128 -16.5625 -16.5623 -15.2673 -15.2673 -15.1534 -15.1531 -6.0833 -6.0833 -5.8737 -5.8732 -3.1967 -3.1935 -3.1865 -3.1834 -0.6627 -0.6605 -0.6040 -0.6018 0.3589 0.3598 0.4446 0.4451 1.6943 1.6945 2.1426 2.1428 2.6044 2.6095 2.6203 2.6259 12.6149 12.6157 12.8643 12.8647 12.9678 12.9690 13.8500 13.8505 k =-0.0189 0.0203 0.7335 ( 2342 PWs) bands (ev): -17.6128 -17.6128 -16.5624 -16.5620 -15.2674 -15.2673 -15.1539 -15.1533 -6.0817 -6.0816 -5.8722 -5.8713 -3.1994 -3.1931 -3.1890 -3.1830 -0.6656 -0.6612 -0.6049 -0.6006 0.3590 0.3607 0.4451 0.4461 1.6944 1.6949 2.1438 2.1443 2.5942 2.5992 2.6258 2.6317 12.6145 12.6160 12.8637 12.8645 12.9660 12.9684 13.8494 13.8506 k =-0.0283 0.0304 0.7335 ( 2342 PWs) bands (ev): -17.6129 -17.6129 -16.5622 -16.5616 -15.2675 -15.2674 -15.1547 -15.1538 -6.0790 -6.0788 -5.8696 -5.8683 -3.2028 -3.1939 -3.1916 -3.1832 -0.6693 -0.6631 -0.6055 -0.5994 0.3595 0.3619 0.4461 0.4475 1.6947 1.6953 2.1460 2.1467 2.5825 2.5872 2.6300 2.6361 12.6140 12.6163 12.8629 12.8640 12.9634 12.9671 13.8487 13.8504 k =-0.0377 0.0405 0.7335 ( 2350 PWs) bands (ev): -17.6131 -17.6130 -16.5618 -16.5610 -15.2677 -15.2676 -15.1557 -15.1545 -6.0753 -6.0750 -5.8659 -5.8642 -3.2069 -3.1972 -3.1932 -3.1842 -0.6739 -0.6661 -0.6059 -0.5984 0.3602 0.3634 0.4475 0.4494 1.6950 1.6959 2.1491 2.1499 2.5692 2.5736 2.6327 2.6390 12.6133 12.6163 12.8618 12.8632 12.9603 12.9651 13.8476 13.8499 k =-0.0472 0.0506 0.7335 ( 2350 PWs) bands (ev): -17.6132 -17.6132 -16.5614 -16.5603 -15.2679 -15.2678 -15.1570 -15.1555 -6.0705 -6.0701 -5.8611 -5.8589 -3.2116 -3.2019 -3.1947 -3.1859 -0.6792 -0.6701 -0.6062 -0.5975 0.3613 0.3652 0.4494 0.4517 1.6955 1.6965 2.1529 2.1539 2.5543 2.5585 2.6341 2.6406 12.6123 12.6161 12.8606 12.8622 12.9568 12.9627 13.8463 13.8490 k =-0.0566 0.0608 0.7335 ( 2346 PWs) bands (ev): -17.6134 -17.6134 -16.5608 -16.5595 -15.2682 -15.2681 -15.1585 -15.1567 -6.0646 -6.0642 -5.8552 -5.8527 -3.2170 -3.2074 -3.1968 -3.1882 -0.6850 -0.6749 -0.6065 -0.5968 0.3627 0.3673 0.4516 0.4544 1.6959 1.6972 2.1576 2.1587 2.5380 2.5418 2.6342 2.6409 12.6110 12.6154 12.8591 12.8608 12.9533 12.9601 13.8444 13.8477 k =-0.0660 0.0709 0.7335 ( 2346 PWs) bands (ev): -17.6136 -17.6136 -16.5601 -16.5586 -15.2685 -15.2684 -15.1602 -15.1581 -6.0578 -6.0572 -5.8483 -5.8453 -3.2230 -3.2135 -3.1995 -3.1912 -0.6912 -0.6803 -0.6068 -0.5963 0.3644 0.3696 0.4541 0.4573 1.6963 1.6977 2.1630 2.1641 2.5202 2.5236 2.6331 2.6400 12.6091 12.6142 12.8573 12.8589 12.9500 12.9577 13.8420 13.8457 k =-0.0755 0.0810 0.7335 ( 2346 PWs) bands (ev): -17.6139 -17.6138 -16.5592 -16.5576 -15.2689 -15.2687 -15.1621 -15.1598 -6.0500 -6.0494 -5.8404 -5.8370 -3.2296 -3.2203 -3.2028 -3.1948 -0.6976 -0.6862 -0.6071 -0.5961 0.3664 0.3722 0.4569 0.4604 1.6966 1.6982 2.1690 2.1701 2.5010 2.5040 2.6309 2.6381 12.6065 12.6121 12.8550 12.8564 12.9474 12.9559 13.8389 13.8430 k =-0.0849 0.0911 0.7335 ( 2350 PWs) bands (ev): -17.6142 -17.6141 -16.5583 -16.5565 -15.2692 -15.2691 -15.1643 -15.1617 -6.0413 -6.0406 -5.8316 -5.8278 -3.2368 -3.2277 -3.2066 -3.1990 -0.7043 -0.6923 -0.6074 -0.5959 0.3686 0.3749 0.4598 0.4637 1.6966 1.6984 2.1755 2.1764 2.4806 2.4830 2.6276 2.6351 12.6032 12.6093 12.8518 12.8529 12.9462 12.9552 13.8350 13.8394 k =-0.0943 0.1013 0.7335 ( 2346 PWs) bands (ev): -17.6145 -17.6145 -16.5572 -16.5552 -15.2697 -15.2695 -15.1666 -15.1637 -6.0318 -6.0310 -5.8218 -5.8176 -3.2445 -3.2356 -3.2110 -3.2037 -0.7110 -0.6986 -0.6077 -0.5959 0.3710 0.3778 0.4629 0.4671 1.6963 1.6984 2.1822 2.1829 2.4592 2.4610 2.6235 2.6312 12.5991 12.6055 12.8473 12.8485 12.9466 12.9560 13.8301 13.8349 k =-0.1038 0.1114 0.7335 ( 2346 PWs) bands (ev): -17.6149 -17.6148 -16.5561 -16.5539 -15.2701 -15.2699 -15.1691 -15.1660 -6.0214 -6.0205 -5.8111 -5.8065 -3.2526 -3.2440 -3.2158 -3.2090 -0.7176 -0.7049 -0.6080 -0.5959 0.3736 0.3809 0.4660 0.4706 1.6956 1.6978 2.1887 2.1893 2.4370 2.4381 2.6187 2.6266 12.5942 12.6009 12.8412 12.8431 12.9492 12.9588 13.8242 13.8293 k =-0.1132 0.1215 0.7335 ( 2338 PWs) bands (ev): -17.6153 -17.6152 -16.5548 -16.5525 -15.2705 -15.2703 -15.1718 -15.1685 -6.0103 -6.0093 -5.7996 -5.7947 -3.2612 -3.2528 -3.2212 -3.2147 -0.7241 -0.7111 -0.6082 -0.5959 0.3764 0.3840 0.4692 0.4740 1.6944 1.6968 2.1942 2.1954 2.4143 2.4152 2.6132 2.6214 12.5885 12.5953 12.8335 12.8364 12.9540 12.9636 13.8173 13.8226 k =-0.1226 0.1316 0.7335 ( 2340 PWs) bands (ev): -17.6158 -17.6157 -16.5535 -16.5510 -15.2710 -15.2707 -15.1746 -15.1711 -5.9985 -5.9974 -5.7874 -5.7820 -3.2701 -3.2620 -3.2270 -3.2208 -0.7303 -0.7171 -0.6083 -0.5957 0.3792 0.3872 0.4722 0.4773 1.6924 1.6950 2.1979 2.2002 2.3915 2.3935 2.6072 2.6157 12.5821 12.5889 12.8244 12.8283 12.9610 12.9706 13.8090 13.8146 k =-0.1321 0.1418 0.7335 ( 2338 PWs) bands (ev): -17.6163 -17.6162 -16.5521 -16.5494 -15.2714 -15.2712 -15.1776 -15.1738 -5.9860 -5.9849 -5.7745 -5.7687 -3.2793 -3.2714 -3.2332 -3.2274 -0.7362 -0.7228 -0.6081 -0.5954 0.3821 0.3904 0.4752 0.4804 1.6895 1.6924 2.1985 2.2024 2.3702 2.3740 2.6010 2.6096 12.5751 12.5819 12.8141 12.8190 12.9700 12.9795 13.7996 13.8054 k =-0.1415 0.1519 0.7335 ( 2334 PWs) bands (ev): -17.6168 -17.6167 -16.5506 -16.5477 -15.2719 -15.2716 -15.1807 -15.1767 -5.9730 -5.9719 -5.7609 -5.7548 -3.2888 -3.2811 -3.2397 -3.2342 -0.7416 -0.7280 -0.6076 -0.5948 0.3850 0.3935 0.4780 0.4834 1.6856 1.6887 2.1941 2.1999 2.3526 2.3585 2.5945 2.6034 12.5677 12.5744 12.8028 12.8086 12.9808 12.9902 13.7889 13.7949 k =-0.1510 0.1620 0.7335 ( 2342 PWs) bands (ev): -17.6173 -17.6173 -16.5490 -16.5461 -15.2723 -15.2720 -15.1839 -15.1798 -5.9596 -5.9583 -5.7467 -5.7403 -3.2984 -3.2910 -3.2466 -3.2414 -0.7465 -0.7328 -0.6067 -0.5938 0.3879 0.3966 0.4806 0.4862 1.6806 1.6838 2.1829 2.1904 2.3409 2.3488 2.5881 2.5973 12.5599 12.5665 12.7908 12.7973 12.9932 13.0024 13.7768 13.7830 k =-0.1604 0.1722 0.7335 ( 2342 PWs) bands (ev): -17.6179 -17.6179 -16.5474 -16.5443 -15.2727 -15.2724 -15.1873 -15.1829 -5.9457 -5.9444 -5.7320 -5.7253 -3.3081 -3.3009 -3.2537 -3.2488 -0.7507 -0.7369 -0.6053 -0.5924 0.3908 0.3997 0.4830 0.4887 1.6741 1.6776 2.1643 2.1728 2.3365 2.3455 2.5819 2.5913 12.5520 12.5585 12.7782 12.7854 13.0068 13.0158 13.7634 13.7697 k =-0.1698 0.1823 0.7335 ( 2338 PWs) bands (ev): -17.6186 -17.6185 -16.5458 -16.5425 -15.2731 -15.2728 -15.1906 -15.1861 -5.9315 -5.9301 -5.7169 -5.7099 -3.3179 -3.3108 -3.2611 -3.2564 -0.7542 -0.7404 -0.6034 -0.5904 0.3936 0.4026 0.4851 0.4909 1.6662 1.6698 2.1390 2.1478 2.3383 2.3478 2.5761 2.5856 12.5442 12.5506 12.7653 12.7731 13.0214 13.0302 13.7488 13.7552 k =-0.1793 0.1924 0.7335 ( 2338 PWs) bands (ev): -17.6193 -17.6192 -16.5440 -16.5407 -15.2735 -15.2731 -15.1941 -15.1895 -5.9171 -5.9157 -5.7015 -5.6942 -3.3275 -3.3207 -3.2687 -3.2642 -0.7570 -0.7431 -0.6009 -0.5878 0.3963 0.4054 0.4870 0.4928 1.6565 1.6604 2.1086 2.1172 2.3448 2.3542 2.5708 2.5805 12.5366 12.5428 12.7522 12.7605 13.0367 13.0453 13.7328 13.7394 k =-0.1887 0.2025 0.7335 ( 2330 PWs) bands (ev): -17.6200 -17.6199 -16.5423 -16.5388 -15.2738 -15.2735 -15.1976 -15.1928 -5.9025 -5.9010 -5.6857 -5.6781 -3.3370 -3.3304 -3.2763 -3.2720 -0.7588 -0.7449 -0.5976 -0.5846 0.3988 0.4080 0.4885 0.4943 1.6450 1.6491 2.0743 2.0826 2.3542 2.3634 2.5662 2.5761 12.5294 12.5354 12.7390 12.7478 13.0525 13.0609 13.7156 13.7223 k =-0.1981 0.2127 0.7335 ( 2334 PWs) bands (ev): -17.6207 -17.6206 -16.5405 -16.5370 -15.2741 -15.2737 -15.2011 -15.1962 -5.8879 -5.8863 -5.6698 -5.6619 -3.3463 -3.3399 -3.2841 -3.2798 -0.7598 -0.7458 -0.5936 -0.5805 0.4011 0.4104 0.4897 0.4955 1.6315 1.6358 2.0370 2.0451 2.3655 2.3745 2.5624 2.5724 12.5226 12.5285 12.7260 12.7351 13.0684 13.0766 13.6973 13.7040 k =-0.2076 0.2228 0.7335 ( 2334 PWs) bands (ev): -17.6215 -17.6214 -16.5387 -16.5351 -15.2744 -15.2740 -15.2047 -15.1997 -5.8732 -5.8716 -5.6537 -5.6456 -3.3553 -3.3490 -3.2919 -3.2877 -0.7598 -0.7458 -0.5888 -0.5757 0.4033 0.4126 0.4906 0.4964 1.6160 1.6204 1.9974 2.0052 2.3782 2.3869 2.5596 2.5696 12.5165 12.5222 12.7133 12.7227 13.0843 13.0923 13.6778 13.6846 k =-0.2170 0.2329 0.7335 ( 2332 PWs) bands (ev): -17.6223 -17.6222 -16.5369 -16.5332 -15.2746 -15.2742 -15.2082 -15.2032 -5.8587 -5.8570 -5.6375 -5.6293 -3.3639 -3.3578 -3.2996 -3.2954 -0.7587 -0.7447 -0.5830 -0.5699 0.4052 0.4146 0.4912 0.4969 1.5983 1.6028 1.9559 1.9634 2.3918 2.4002 2.5578 2.5678 12.5112 12.5168 12.7010 12.7107 13.0998 13.1077 13.6572 13.6642 k =-0.2170 0.2329 0.7335 ( 2332 PWs) bands (ev): -17.6223 -17.6222 -16.5369 -16.5332 -15.2746 -15.2742 -15.2082 -15.2032 -5.8587 -5.8570 -5.6375 -5.6293 -3.3639 -3.3578 -3.2996 -3.2954 -0.7587 -0.7447 -0.5830 -0.5699 0.4052 0.4146 0.4912 0.4969 1.5983 1.6028 1.9559 1.9634 2.3918 2.4002 2.5578 2.5678 12.5112 12.5168 12.7010 12.7107 13.0998 13.1077 13.6572 13.6642 k =-0.2237 0.2401 0.7236 ( 2332 PWs) bands (ev): -17.6234 -17.6233 -16.5352 -16.5315 -15.2726 -15.2721 -15.2127 -15.2076 -5.8577 -5.8560 -5.6160 -5.6077 -3.3712 -3.3671 -3.3045 -3.3001 -0.7684 -0.7546 -0.5660 -0.5528 0.4194 0.4275 0.4785 0.4843 1.5783 1.5830 1.9325 1.9399 2.4045 2.4132 2.5535 2.5638 12.5052 12.5109 12.6816 12.6908 13.1121 13.1198 13.6539 13.6614 k =-0.2305 0.2474 0.7137 ( 2331 PWs) bands (ev): -17.6253 -17.6252 -16.5324 -16.5287 -15.2703 -15.2698 -15.2171 -15.2120 -5.8652 -5.8633 -5.5862 -5.5782 -3.3843 -3.3802 -3.3063 -3.2999 -0.7784 -0.7651 -0.5466 -0.5334 0.4323 0.4379 0.4679 0.4752 1.5576 1.5626 1.9081 1.9154 2.4162 2.4254 2.5501 2.5607 12.4946 12.5008 12.6654 12.6740 13.1253 13.1327 13.6523 13.6602 k =-0.2372 0.2546 0.7038 ( 2331 PWs) bands (ev): -17.6281 -17.6280 -16.5288 -16.5250 -15.2679 -15.2674 -15.2214 -15.2163 -5.8781 -5.8759 -5.5516 -5.5438 -3.4009 -3.3961 -3.3054 -3.2974 -0.7883 -0.7755 -0.5253 -0.5125 0.4342 0.4398 0.4665 0.4777 1.5366 1.5417 1.8828 1.8900 2.4266 2.4364 2.5478 2.5588 12.4797 12.4864 12.6528 12.6608 13.1391 13.1462 13.6520 13.6603 k =-0.2439 0.2618 0.6940 ( 2331 PWs) bands (ev): -17.6314 -17.6314 -16.5244 -16.5206 -15.2654 -15.2648 -15.2256 -15.2206 -5.8939 -5.8915 -5.5145 -5.5068 -3.4193 -3.4141 -3.3028 -3.2938 -0.7977 -0.7855 -0.5027 -0.4902 0.4240 0.4300 0.4794 0.4910 1.5155 1.5206 1.8568 1.8639 2.4353 2.4458 2.5469 2.5581 12.4611 12.4684 12.6434 12.6510 13.1533 13.1601 13.6529 13.6615 k =-0.2507 0.2691 0.6841 ( 2329 PWs) bands (ev): -17.6353 -17.6353 -16.5195 -16.5157 -15.2627 -15.2620 -15.2296 -15.2247 -5.9112 -5.9086 -5.4764 -5.4688 -3.4387 -3.4334 -3.2994 -3.2897 -0.8066 -0.7949 -0.4791 -0.4669 0.4103 0.4158 0.4970 0.5081 1.4944 1.4997 1.8301 1.8372 2.4422 2.4533 2.5476 2.5589 12.4401 12.4478 12.6366 12.6440 13.1678 13.1742 13.6546 13.6634 k =-0.2574 0.2763 0.6742 ( 2329 PWs) bands (ev): -17.6396 -17.6396 -16.5142 -16.5104 -15.2600 -15.2592 -15.2335 -15.2287 -5.9292 -5.9264 -5.4382 -5.4307 -3.4587 -3.4533 -3.2956 -3.2854 -0.8148 -0.8036 -0.4546 -0.4428 0.3951 0.4003 0.5162 0.5269 1.4737 1.4790 1.8029 1.8100 2.4472 2.4587 2.5498 2.5610 12.4176 12.4257 12.6318 12.6390 13.1823 13.1883 13.6569 13.6657 k =-0.2642 0.2835 0.6643 ( 2331 PWs) bands (ev): -17.6442 -17.6441 -16.5085 -16.5047 -15.2573 -15.2564 -15.2372 -15.2325 -5.9472 -5.9443 -5.4004 -5.3931 -3.4789 -3.4736 -3.2916 -3.2812 -0.8223 -0.8116 -0.4294 -0.4180 0.3791 0.3840 0.5363 0.5467 1.4536 1.4589 1.7754 1.7825 2.4504 2.4622 2.5535 2.5642 12.3946 12.4030 12.6283 12.6356 13.1968 13.2024 13.6594 13.6683 k =-0.2709 0.2908 0.6544 ( 2335 PWs) bands (ev): -17.6489 -17.6489 -16.5027 -16.4989 -15.2549 -15.2536 -15.2404 -15.2361 -5.9649 -5.9619 -5.3637 -5.3564 -3.4990 -3.4939 -3.2876 -3.2769 -0.8291 -0.8188 -0.4037 -0.3928 0.3624 0.3669 0.5570 0.5670 1.4343 1.4395 1.7477 1.7548 2.4522 2.4639 2.5583 2.5684 12.3719 12.3805 12.6258 12.6332 13.2110 13.2164 13.6619 13.6708 k =-0.2776 0.2980 0.6445 ( 2339 PWs) bands (ev): -17.6537 -17.6537 -16.4969 -16.4931 -15.2534 -15.2510 -15.2427 -15.2391 -5.9820 -5.9789 -5.3282 -5.3210 -3.5188 -3.5141 -3.2838 -3.2729 -0.8351 -0.8252 -0.3777 -0.3672 0.3451 0.3491 0.5780 0.5878 1.4160 1.4211 1.7199 1.7271 2.4529 2.4644 2.5638 2.5731 12.3499 12.3587 12.6242 12.6317 13.2250 13.2300 13.6642 13.6729 k =-0.2844 0.3052 0.6347 ( 2341 PWs) bands (ev): -17.6585 -17.6584 -16.4912 -16.4874 -15.2538 -15.2494 -15.2436 -15.2402 -5.9983 -5.9951 -5.2944 -5.2872 -3.5381 -3.5338 -3.2800 -3.2690 -0.8403 -0.8309 -0.3516 -0.3414 0.3271 0.3308 0.5991 0.6088 1.3989 1.4040 1.6923 1.6995 2.4526 2.4638 2.5697 2.5782 12.3290 12.3379 12.6231 12.6308 13.2386 13.2433 13.6659 13.6744 k =-0.2911 0.3125 0.6248 ( 2345 PWs) bands (ev): -17.6631 -17.6630 -16.4856 -16.4818 -15.2559 -15.2505 -15.2423 -15.2390 -6.0136 -6.0104 -5.2624 -5.2554 -3.5567 -3.5528 -3.2765 -3.2654 -0.8447 -0.8357 -0.3254 -0.3158 0.3086 0.3118 0.6203 0.6297 1.3833 1.3883 1.6648 1.6721 2.4518 2.4627 2.5755 2.5832 12.3096 12.3186 12.6226 12.6305 13.2518 13.2563 13.6668 13.6752 k =-0.2979 0.3197 0.6149 ( 2342 PWs) bands (ev): -17.6675 -17.6674 -16.4803 -16.4765 -15.2586 -15.2531 -15.2398 -15.2366 -6.0278 -6.0245 -5.2327 -5.2257 -3.5744 -3.5709 -3.2732 -3.2620 -0.8485 -0.8398 -0.2995 -0.2903 0.2896 0.2922 0.6412 0.6505 1.3693 1.3742 1.6378 1.6452 2.4506 2.4611 2.5812 2.5880 12.2919 12.3009 12.6226 12.6306 13.2646 13.2687 13.6667 13.6749 k =-0.3046 0.3269 0.6050 ( 2342 PWs) bands (ev): -17.6716 -17.6716 -16.4753 -16.4716 -15.2615 -15.2561 -15.2370 -15.2338 -6.0407 -6.0374 -5.2053 -5.1985 -3.5908 -3.5878 -3.2701 -3.2588 -0.8514 -0.8430 -0.2741 -0.2655 0.2701 0.2722 0.6617 0.6709 1.3571 1.3619 1.6115 1.6190 2.4491 2.4593 2.5865 2.5926 12.2760 12.2851 12.6230 12.6312 13.2768 13.2808 13.6655 13.6734 k =-0.3113 0.3342 0.5951 ( 2340 PWs) bands (ev): -17.6754 -17.6754 -16.4708 -16.4671 -15.2644 -15.2591 -15.2341 -15.2309 -6.0522 -6.0490 -5.1807 -5.1739 -3.6058 -3.6033 -3.2674 -3.2560 -0.8537 -0.8456 -0.2495 -0.2415 0.2506 0.2520 0.6816 0.6906 1.3469 1.3515 1.5860 1.5937 2.4475 2.4574 2.5914 2.5967 12.2622 12.2713 12.6239 12.6322 13.2886 13.2923 13.6629 13.6705 k =-0.3181 0.3414 0.5852 ( 2338 PWs) bands (ev): -17.6788 -17.6787 -16.4667 -16.4630 -15.2672 -15.2621 -15.2313 -15.2280 -6.0624 -6.0591 -5.1589 -5.1523 -3.6192 -3.6173 -3.2649 -3.2536 -0.8553 -0.8474 -0.2261 -0.2188 0.2311 0.2318 0.7005 0.7095 1.3388 1.3433 1.5616 1.5695 2.4459 2.4555 2.5958 2.6004 12.2504 12.2595 12.6251 12.6335 13.2998 13.3034 13.6588 13.6662 k =-0.3248 0.3486 0.5753 ( 2332 PWs) bands (ev): -17.6817 -17.6817 -16.4632 -16.4595 -15.2699 -15.2650 -15.2286 -15.2252 -6.0710 -6.0677 -5.1404 -5.1338 -3.6307 -3.6293 -3.2628 -3.2514 -0.8561 -0.8485 -0.2045 -0.1980 0.2121 0.2122 0.7182 0.7271 1.3328 1.3372 1.5387 1.5468 2.4443 2.4536 2.5997 2.6036 12.2409 12.2500 12.6267 12.6353 13.3106 13.3141 13.6531 13.6601 k =-0.3315 0.3559 0.5655 ( 2334 PWs) bands (ev): -17.6842 -17.6841 -16.4602 -16.4565 -15.2724 -15.2677 -15.2260 -15.2225 -6.0780 -6.0746 -5.1252 -5.1187 -3.6403 -3.6392 -3.2610 -3.2497 -0.8563 -0.8489 -0.1853 -0.1797 0.1934 0.1946 0.7345 0.7432 1.3290 1.3334 1.5175 1.5259 2.4427 2.4517 2.6030 2.6064 12.2337 12.2427 12.6287 12.6374 13.3209 13.3243 13.6456 13.6524 k =-0.3383 0.3631 0.5556 ( 2336 PWs) bands (ev): -17.6861 -17.6861 -16.4578 -16.4541 -15.2748 -15.2703 -15.2236 -15.2199 -6.0833 -6.0800 -5.1135 -5.1072 -3.6479 -3.6467 -3.2596 -3.2482 -0.8559 -0.8486 -0.1694 -0.1648 0.1765 0.1790 0.7489 0.7575 1.3275 1.3320 1.4984 1.5070 2.4413 2.4500 2.6058 2.6086 12.2287 12.2377 12.6310 12.6398 13.3308 13.3341 13.6363 13.6427 k =-0.3450 0.3703 0.5457 ( 2332 PWs) bands (ev): -17.6876 -17.6875 -16.4561 -16.4524 -15.2771 -15.2727 -15.2214 -15.2175 -6.0870 -6.0837 -5.1056 -5.0993 -3.6533 -3.6516 -3.2585 -3.2472 -0.8547 -0.8476 -0.1577 -0.1544 0.1626 0.1664 0.7611 0.7696 1.3283 1.3328 1.4817 1.4907 2.4399 2.4483 2.6080 2.6104 12.2260 12.2350 12.6336 12.6425 13.3403 13.3436 13.6251 13.6313 k =-0.3518 0.3776 0.5358 ( 2332 PWs) bands (ev): -17.6884 -17.6884 -16.4550 -16.4513 -15.2792 -15.2749 -15.2193 -15.2153 -6.0890 -6.0857 -5.1015 -5.0952 -3.6563 -3.6540 -3.2579 -3.2466 -0.8530 -0.8459 -0.1516 -0.1493 0.1525 0.1578 0.7709 0.7792 1.3313 1.3359 1.4679 1.4772 2.4387 2.4468 2.6097 2.6118 12.2257 12.2346 12.6366 12.6456 13.3495 13.3528 13.6120 13.6179 k =-0.3585 0.3848 0.5259 ( 2325 PWs) bands (ev): -17.6887 -17.6887 -16.4545 -16.4508 -15.2811 -15.2770 -15.2175 -15.2133 -6.0893 -6.0859 -5.1012 -5.0950 -3.6569 -3.6538 -3.2575 -3.2463 -0.8505 -0.8436 -0.1520 -0.1502 0.1472 0.1541 0.7779 0.7859 1.3365 1.3412 1.4575 1.4670 2.4375 2.4454 2.6108 2.6129 12.2276 12.2365 12.6398 12.6489 13.3584 13.3618 13.5970 13.6025 k =-0.3585 0.3848 0.5259 ( 2325 PWs) bands (ev): -17.6887 -17.6887 -16.4545 -16.4508 -15.2811 -15.2770 -15.2175 -15.2133 -6.0893 -6.0859 -5.1012 -5.0950 -3.6569 -3.6538 -3.2575 -3.2463 -0.8505 -0.8436 -0.1520 -0.1502 0.1472 0.1541 0.7779 0.7859 1.3365 1.3412 1.4575 1.4670 2.4375 2.4454 2.6108 2.6129 12.2276 12.2365 12.6398 12.6489 13.3584 13.3618 13.5970 13.6025 k =-0.3516 0.3774 0.5158 ( 2335 PWs) bands (ev): -17.6986 -17.6986 -16.4433 -16.4396 -15.2806 -15.2765 -15.2126 -15.2084 -6.1358 -6.1324 -5.0721 -5.0658 -3.6793 -3.6761 -3.2495 -3.2381 -0.8674 -0.8604 -0.1673 -0.1657 0.1734 0.1800 0.7863 0.7946 1.3635 1.3680 1.5117 1.5210 2.4120 2.4201 2.6035 2.6055 12.1928 12.2019 12.6424 12.6514 13.3877 13.3909 13.6252 13.6308 k =-0.3447 0.3700 0.5057 ( 2339 PWs) bands (ev): -17.7096 -17.7096 -16.4307 -16.4269 -15.2800 -15.2758 -15.2077 -15.2032 -6.1836 -6.1802 -5.0428 -5.0364 -3.7022 -3.6989 -3.2419 -3.2304 -0.8821 -0.8750 -0.1806 -0.1791 0.2006 0.2069 0.7947 0.8032 1.3876 1.3920 1.5660 1.5750 2.3859 2.3942 2.5962 2.5983 12.1585 12.1679 12.6456 12.6545 13.4160 13.4190 13.6515 13.6572 k =-0.3378 0.3626 0.4956 ( 2339 PWs) bands (ev): -17.7219 -17.7219 -16.4166 -16.4128 -15.2791 -15.2749 -15.2025 -15.1979 -6.2325 -6.2291 -5.0134 -5.0069 -3.7255 -3.7220 -3.2349 -3.2233 -0.8945 -0.8874 -0.1916 -0.1903 0.2285 0.2346 0.8031 0.8118 1.4093 1.4136 1.6195 1.6284 2.3594 2.3679 2.5891 2.5912 12.1251 12.1346 12.6493 12.6581 13.4426 13.4454 13.6758 13.6816 k =-0.3309 0.3552 0.4855 ( 2341 PWs) bands (ev): -17.7353 -17.7353 -16.4009 -16.3971 -15.2780 -15.2737 -15.1972 -15.1925 -6.2824 -6.2790 -4.9842 -4.9777 -3.7491 -3.7455 -3.2286 -3.2168 -0.9047 -0.8975 -0.2002 -0.1992 0.2571 0.2630 0.8115 0.8204 1.4286 1.4330 1.6720 1.6806 2.3327 2.3413 2.5823 2.5843 12.0924 12.1023 12.6535 12.6622 13.4667 13.4694 13.6979 13.7038 k =-0.3240 0.3478 0.4753 ( 2341 PWs) bands (ev): -17.7499 -17.7499 -16.3838 -16.3799 -15.2766 -15.2723 -15.1917 -15.1869 -6.3332 -6.3299 -4.9553 -4.9487 -3.7729 -3.7692 -3.2229 -3.2110 -0.9128 -0.9055 -0.2064 -0.2056 0.2863 0.2921 0.8197 0.8288 1.4456 1.4500 1.7228 1.7313 2.3063 2.3149 2.5758 2.5778 12.0607 12.0708 12.6580 12.6665 13.4876 13.4901 13.7178 13.7239 k =-0.3171 0.3404 0.4652 ( 2335 PWs) bands (ev): -17.7657 -17.7656 -16.3651 -16.3612 -15.2751 -15.2708 -15.1861 -15.1811 -6.3848 -6.3815 -4.9268 -4.9201 -3.7970 -3.7931 -3.2180 -3.2061 -0.9188 -0.9114 -0.2099 -0.2093 0.3161 0.3216 0.8277 0.8371 1.4603 1.4649 1.7718 1.7801 2.2804 2.2890 2.5696 2.5716 12.0300 12.0404 12.6628 12.6712 13.5043 13.5068 13.7355 13.7417 k =-0.3102 0.3330 0.4551 ( 2347 PWs) bands (ev): -17.7825 -17.7824 -16.3449 -16.3411 -15.2734 -15.2690 -15.1803 -15.1752 -6.4371 -6.4339 -4.8988 -4.8921 -3.8211 -3.8172 -3.2139 -3.2019 -0.9228 -0.9154 -0.2107 -0.2103 0.3462 0.3516 0.8355 0.8452 1.4727 1.4774 1.8183 1.8263 2.2555 2.2640 2.5639 2.5659 12.0003 12.0110 12.6678 12.6761 13.5158 13.5184 13.7510 13.7572 k =-0.3033 0.3256 0.4450 ( 2351 PWs) bands (ev): -17.8004 -17.8003 -16.3233 -16.3195 -15.2714 -15.2671 -15.1744 -15.1693 -6.4899 -6.4868 -4.8714 -4.8647 -3.8453 -3.8413 -3.2107 -3.1987 -0.9250 -0.9174 -0.2086 -0.2084 0.3766 0.3819 0.8430 0.8530 1.4828 1.4877 1.8618 1.8694 2.2324 2.2406 2.5588 2.5606 11.9717 11.9826 12.6730 12.6811 13.5214 13.5240 13.7642 13.7705 k =-0.2964 0.3182 0.4349 ( 2343 PWs) bands (ev): -17.8192 -17.8191 -16.3002 -16.2964 -15.2693 -15.2649 -15.1684 -15.1632 -6.5433 -6.5402 -4.8448 -4.8380 -3.8695 -3.8653 -3.2084 -3.1964 -0.9254 -0.9178 -0.2035 -0.2034 0.4073 0.4124 0.8503 0.8605 1.4906 1.4957 1.9012 1.9083 2.2123 2.2199 2.5542 2.5560 11.9441 11.9553 12.6783 12.6863 13.5201 13.5227 13.7754 13.7816 k =-0.2896 0.3108 0.4248 ( 2337 PWs) bands (ev): -17.8389 -17.8388 -16.2758 -16.2720 -15.2669 -15.2626 -15.1622 -15.1570 -6.5970 -6.5941 -4.8189 -4.8122 -3.8937 -3.8893 -3.2070 -3.1951 -0.9243 -0.9165 -0.1954 -0.1951 0.4379 0.4430 0.8571 0.8677 1.4960 1.5014 1.9353 1.9413 2.1967 2.2033 2.5504 2.5521 11.9175 11.9289 12.6838 12.6916 13.5112 13.5139 13.7844 13.7905 k =-0.2827 0.3034 0.4147 ( 2337 PWs) bands (ev): -17.8594 -17.8593 -16.2501 -16.2463 -15.2644 -15.2601 -15.1560 -15.1507 -6.6511 -6.6483 -4.7939 -4.7872 -3.9176 -3.9132 -3.2067 -3.1948 -0.9218 -0.9139 -0.1840 -0.1836 0.4685 0.4735 0.8636 0.8745 1.4992 1.5048 1.9618 1.9661 2.1880 2.1929 2.5473 2.5489 11.8918 11.9035 12.6893 12.6970 13.4942 13.4968 13.7914 13.7973 k =-0.2758 0.2960 0.4046 ( 2341 PWs) bands (ev): -17.8807 -17.8806 -16.2231 -16.2193 -15.2618 -15.2575 -15.1497 -15.1444 -6.7054 -6.7027 -4.7698 -4.7631 -3.9414 -3.9369 -3.2074 -3.1956 -0.9179 -0.9100 -0.1693 -0.1687 0.4987 0.5037 0.8697 0.8810 1.5001 1.5060 1.9785 1.9805 2.1884 2.1910 2.5452 2.5466 11.8668 11.8787 12.6949 12.7024 13.4685 13.4711 13.7965 13.8022 k =-0.2689 0.2886 0.3944 ( 2341 PWs) bands (ev): -17.9026 -17.9025 -16.1949 -16.1912 -15.2590 -15.2548 -15.1433 -15.1380 -6.7598 -6.7572 -4.7466 -4.7400 -3.9650 -3.9603 -3.2093 -3.1975 -0.9130 -0.9049 -0.1513 -0.1505 0.5284 0.5335 0.8756 0.8873 1.4990 1.5052 1.9835 1.9848 2.1981 2.1989 2.5440 2.5452 11.8426 11.8547 12.7006 12.7079 13.4343 13.4368 13.8000 13.8054 k =-0.2620 0.2812 0.3843 ( 2337 PWs) bands (ev): -17.9251 -17.9250 -16.1656 -16.1619 -15.2561 -15.2519 -15.1369 -15.1315 -6.8143 -6.8119 -4.7244 -4.7178 -3.9882 -3.9834 -3.2122 -3.2005 -0.9071 -0.8989 -0.1298 -0.1289 0.5572 0.5624 0.8812 0.8934 1.4961 1.5025 1.9783 1.9813 2.2139 2.2161 2.5438 2.5449 11.8189 11.8310 12.7064 12.7135 13.3918 13.3942 13.8020 13.8072 k =-0.2551 0.2738 0.3742 ( 2339 PWs) bands (ev): -17.9481 -17.9480 -16.1353 -16.1317 -15.2531 -15.2489 -15.1304 -15.1250 -6.8689 -6.8665 -4.7031 -4.6966 -4.0110 -4.0062 -3.2163 -3.2047 -0.9003 -0.8921 -0.1050 -0.1039 0.5848 0.5902 0.8868 0.8995 1.4915 1.4982 1.9672 1.9715 2.2343 2.2377 2.5448 2.5457 11.7954 11.8076 12.7124 12.7192 13.3414 13.3440 13.8029 13.8077 k =-0.2482 0.2664 0.3641 ( 2339 PWs) bands (ev): -17.9715 -17.9714 -16.1040 -16.1004 -15.2500 -15.2458 -15.1239 -15.1185 -6.9233 -6.9211 -4.6828 -4.6763 -4.0334 -4.0285 -3.2216 -3.2101 -0.8928 -0.8846 -0.0768 -0.0757 0.6106 0.6163 0.8928 0.9060 1.4855 1.4924 1.9529 1.9581 2.2568 2.2610 2.5469 2.5476 11.7720 11.7842 12.7185 12.7248 13.2841 13.2869 13.8027 13.8073 k =-0.2413 0.2590 0.3540 ( 2339 PWs) bands (ev): -17.9952 -17.9950 -16.0719 -16.0684 -15.2468 -15.2427 -15.1174 -15.1120 -6.9776 -6.9755 -4.6633 -4.6570 -4.0553 -4.0503 -3.2281 -3.2167 -0.8846 -0.8764 -0.0453 -0.0441 0.6342 0.6402 0.8996 0.9133 1.4784 1.4855 1.9370 1.9426 2.2796 2.2841 2.5502 2.5509 11.7484 11.7605 12.7246 12.7303 13.2211 13.2241 13.8018 13.8062 k =-0.2344 0.2516 0.3439 ( 2341 PWs) bands (ev): -18.0190 -18.0189 -16.0390 -16.0355 -15.2435 -15.2395 -15.1108 -15.1055 -7.0317 -7.0297 -4.6448 -4.6385 -4.0767 -4.0716 -3.2358 -3.2245 -0.8758 -0.8676 -0.0108 -0.0095 0.6548 0.6610 0.9079 0.9220 1.4706 1.4779 1.9202 1.9261 2.3017 2.3062 2.5545 2.5555 11.7242 11.7363 12.7304 12.7354 13.1538 13.1572 13.8002 13.8044 k =-0.2275 0.2442 0.3338 ( 2341 PWs) bands (ev): -18.0431 -18.0430 -16.0054 -16.0020 -15.2402 -15.2362 -15.1042 -15.0990 -7.0855 -7.0836 -4.6271 -4.6210 -4.0975 -4.0924 -3.2447 -3.2336 -0.8665 -0.8584 0.0268 0.0281 0.6717 0.6780 0.9183 0.9327 1.4623 1.4697 1.9031 1.9091 2.3224 2.3267 2.5599 2.5612 11.6993 11.7111 12.7354 12.7391 13.0842 13.0882 13.7981 13.8022 k =-0.2206 0.2368 0.3236 ( 2341 PWs) bands (ev): -18.0672 -18.0671 -15.9712 -15.9679 -15.2368 -15.2329 -15.0977 -15.0925 -7.1389 -7.1371 -4.6103 -4.6043 -4.1177 -4.1125 -3.2548 -3.2438 -0.8567 -0.8487 0.0672 0.0684 0.6843 0.6906 0.9316 0.9459 1.4538 1.4613 1.8857 1.8918 2.3415 2.3455 2.5663 2.5681 11.6732 11.6846 12.7377 12.7397 13.0151 13.0203 13.7955 13.7995 k =-0.2137 0.2294 0.3135 ( 2341 PWs) bands (ev): -18.0913 -18.0912 -15.9366 -15.9333 -15.2334 -15.2296 -15.0912 -15.0861 -7.1918 -7.1902 -4.5943 -4.5884 -4.1372 -4.1319 -3.2660 -3.2553 -0.8465 -0.8386 0.1101 0.1114 0.6923 0.6983 0.9479 0.9619 1.4455 1.4530 1.8683 1.8743 2.3589 2.3626 2.5735 2.5757 11.6456 11.6566 12.7315 12.7344 12.9516 12.9592 13.7926 13.7965 k =-0.2068 0.2220 0.3034 ( 2333 PWs) bands (ev): -18.1153 -18.1152 -15.9015 -15.8983 -15.2300 -15.2263 -15.0847 -15.0797 -7.2442 -7.2427 -4.5790 -4.5732 -4.1559 -4.1507 -3.2785 -3.2679 -0.8359 -0.8281 0.1555 0.1567 0.6956 0.7012 0.9673 0.9807 1.4374 1.4449 1.8508 1.8568 2.3747 2.3779 2.5812 2.5839 11.6162 11.6267 12.7081 12.7153 12.9034 12.9143 13.7895 13.7932 k =-0.1999 0.2146 0.2933 ( 2341 PWs) bands (ev): -18.1391 -18.1390 -15.8662 -15.8631 -15.2266 -15.2230 -15.0783 -15.0734 -7.2961 -7.2947 -4.5644 -4.5588 -4.1740 -4.1687 -3.2921 -3.2817 -0.8249 -0.8172 0.2029 0.2041 0.6947 0.6997 0.9894 1.0022 1.4298 1.4373 1.8332 1.8391 2.3889 2.3918 2.5892 2.5924 11.5846 11.5945 12.6627 12.6729 12.8796 12.8926 13.7860 13.7897 k =-0.1930 0.2072 0.2832 ( 2351 PWs) bands (ev): -18.1627 -18.1626 -15.8306 -15.8276 -15.2232 -15.2197 -15.0720 -15.0672 -7.3473 -7.3460 -4.5505 -4.5450 -4.1913 -4.1859 -3.3068 -3.2965 -0.8135 -0.8060 0.2522 0.2534 0.6901 0.6945 1.0136 1.0257 1.4228 1.4302 1.8156 1.8214 2.4020 2.4044 2.5972 2.6008 11.5507 11.5598 12.6003 12.6115 12.8771 12.8901 13.7822 13.7859 k =-0.1861 0.1998 0.2731 ( 2351 PWs) bands (ev): -18.1860 -18.1859 -15.7949 -15.7920 -15.2199 -15.2165 -15.0658 -15.0611 -7.3977 -7.3965 -4.5372 -4.5319 -4.2077 -4.2023 -3.3225 -3.3125 -0.8018 -0.7944 0.3032 0.3042 0.6824 0.6863 1.0394 1.0508 1.4165 1.4237 1.7978 1.8035 2.4139 2.4160 2.6050 2.6089 11.5140 11.5223 12.5297 12.5410 12.8866 12.8989 13.7783 13.7818 k =-0.1792 0.1924 0.2630 ( 2357 PWs) bands (ev): -18.2090 -18.2089 -15.7593 -15.7564 -15.2166 -15.2132 -15.0596 -15.0550 -7.4473 -7.4462 -4.5245 -4.5194 -4.2233 -4.2179 -3.3392 -3.3294 -0.7898 -0.7826 0.3554 0.3564 0.6722 0.6756 1.0663 1.0771 1.4108 1.4179 1.7800 1.7855 2.4250 2.4268 2.6122 2.6164 11.4744 11.4819 12.4561 12.4676 12.9031 12.9145 13.7740 13.7775 k =-0.1724 0.1850 0.2528 ( 2361 PWs) bands (ev): -18.2315 -18.2314 -15.7237 -15.7209 -15.2133 -15.2101 -15.0536 -15.0492 -7.4960 -7.4950 -4.5123 -4.5074 -4.2380 -4.2327 -3.3569 -3.3473 -0.7775 -0.7704 0.4088 0.4097 0.6600 0.6630 1.0938 1.1040 1.4059 1.4128 1.7620 1.7675 2.4355 2.4370 2.6187 2.6231 11.4318 11.4385 12.3824 12.3940 12.9240 12.9347 13.7696 13.7730 k =-0.1655 0.1776 0.2427 ( 2353 PWs) bands (ev): -18.2536 -18.2535 -15.6884 -15.6857 -15.2101 -15.2069 -15.0477 -15.0434 -7.5437 -7.5428 -4.5006 -4.4959 -4.2519 -4.2465 -3.3754 -3.3661 -0.7649 -0.7580 0.4629 0.4637 0.6463 0.6490 1.1217 1.1315 1.4016 1.4083 1.7440 1.7493 2.4455 2.4467 2.6244 2.6290 11.3862 11.3920 12.3102 12.3218 12.9484 12.9585 13.7649 13.7682 k =-0.1586 0.1702 0.2326 ( 2349 PWs) bands (ev): -18.2751 -18.2750 -15.6533 -15.6507 -15.2069 -15.2039 -15.0419 -15.0378 -7.5904 -7.5896 -4.4895 -4.4849 -4.2648 -4.2594 -3.3947 -3.3856 -0.7521 -0.7454 0.5175 0.5182 0.6316 0.6340 1.1496 1.1590 1.3980 1.4045 1.7260 1.7311 2.4550 2.4561 2.6291 2.6338 11.3376 11.3425 12.2403 12.2521 12.9757 12.9851 13.7600 13.7632 k =-0.1517 0.1628 0.2225 ( 2345 PWs) bands (ev): -18.2961 -18.2960 -15.6187 -15.6162 -15.2038 -15.2009 -15.0363 -15.0323 -7.6359 -7.6352 -4.4787 -4.4744 -4.2768 -4.2715 -3.4147 -3.4058 -0.7391 -0.7326 0.5723 0.5729 0.6161 0.6183 1.1774 1.1865 1.3949 1.4013 1.7079 1.7129 2.4642 2.4651 2.6327 2.6375 11.2861 11.2902 12.1735 12.1852 13.0055 13.0143 13.7548 13.7580 k =-0.1448 0.1554 0.2124 ( 2341 PWs) bands (ev): -18.3164 -18.3163 -15.5846 -15.5822 -15.2008 -15.1981 -15.0309 -15.0271 -7.6802 -7.6796 -4.4685 -4.4643 -4.2879 -4.2826 -3.4352 -3.4266 -0.7259 -0.7197 0.5999 0.6022 0.6272 0.6276 1.2049 1.2137 1.3925 1.3987 1.6899 1.6948 2.4731 2.4740 2.6354 2.6402 11.2321 11.2354 12.1100 12.1217 13.0376 13.0458 13.7494 13.7525 k =-0.1379 0.1480 0.2023 ( 2341 PWs) bands (ev): -18.3361 -18.3360 -15.5511 -15.5488 -15.1979 -15.1953 -15.0256 -15.0220 -7.7232 -7.7227 -4.4586 -4.4546 -4.2980 -4.2927 -3.4562 -3.4479 -0.7127 -0.7067 0.5839 0.5859 0.6815 0.6820 1.2319 1.2405 1.3905 1.3967 1.6719 1.6767 2.4818 2.4826 2.6369 2.6418 11.1759 11.1786 12.0500 12.0615 13.0715 13.0792 13.7438 13.7468 k =-0.1310 0.1406 0.1922 ( 2345 PWs) bands (ev): -18.3551 -18.3550 -15.5183 -15.5162 -15.1951 -15.1926 -15.0206 -15.0171 -7.7648 -7.7644 -4.4491 -4.4454 -4.3072 -4.3020 -3.4776 -3.4695 -0.6994 -0.6937 0.5677 0.5696 0.7352 0.7356 1.2583 1.2668 1.3891 1.3951 1.6541 1.6587 2.4903 2.4910 2.6375 2.6423 11.1181 11.1202 11.9936 12.0049 13.1071 13.1142 13.7380 13.7409 k =-0.1241 0.1332 0.1820 ( 2345 PWs) bands (ev): -18.3733 -18.3732 -15.4864 -15.4844 -15.1924 -15.1900 -15.0157 -15.0124 -7.8050 -7.8046 -4.4400 -4.4365 -4.3155 -4.3103 -3.4992 -3.4914 -0.6862 -0.6807 0.5518 0.5535 0.7880 0.7884 1.2838 1.2924 1.3881 1.3942 1.6365 1.6410 2.4985 2.4991 2.6371 2.6418 11.0591 11.0608 11.9408 11.9518 13.1441 13.1507 13.7320 13.7348 k =-0.1172 0.1258 0.1719 ( 2341 PWs) bands (ev): -18.3907 -18.3906 -15.4555 -15.4536 -15.1898 -15.1875 -15.0110 -15.0079 -7.8436 -7.8433 -4.4314 -4.4281 -4.3228 -4.3178 -3.5209 -3.5134 -0.6731 -0.6679 0.5362 0.5378 0.8395 0.8401 1.3084 1.3173 1.3875 1.3939 1.6193 1.6236 2.5065 2.5071 2.6359 2.6404 10.9996 11.0009 11.8915 11.9022 13.1822 13.1883 13.7259 13.7286 k =-0.1103 0.1184 0.1618 ( 2347 PWs) bands (ev): -18.4073 -18.4073 -15.4256 -15.4238 -15.1873 -15.1852 -15.0066 -15.0037 -7.8805 -7.8803 -4.4231 -4.4200 -4.3292 -4.3243 -3.5426 -3.5353 -0.6601 -0.6552 0.5211 0.5226 0.8896 0.8902 1.3317 1.3412 1.3875 1.3944 1.6023 1.6065 2.5142 2.5148 2.6338 2.6382 10.9402 10.9411 11.8456 11.8558 13.2211 13.2267 13.7197 13.7223 k =-0.1034 0.1110 0.1517 ( 2347 PWs) bands (ev): -18.4231 -18.4230 -15.3968 -15.3952 -15.1850 -15.1830 -15.0024 -14.9997 -7.9158 -7.9156 -4.4152 -4.4123 -4.3348 -4.3300 -3.5641 -3.5572 -0.6474 -0.6427 0.5066 0.5080 0.9379 0.9386 1.3531 1.3640 1.3880 1.3962 1.5858 1.5899 2.5217 2.5222 2.6310 2.6353 10.8813 10.8820 11.8030 11.8127 13.2604 13.2656 13.7135 13.7159 k =-0.0965 0.1036 0.1416 ( 2349 PWs) bands (ev): -18.4379 -18.4379 -15.3694 -15.3679 -15.1827 -15.1809 -14.9984 -14.9959 -7.9492 -7.9491 -4.4077 -4.4051 -4.3395 -4.3349 -3.5853 -3.5787 -0.6350 -0.6306 0.4928 0.4941 0.9842 0.9850 1.3710 1.3840 1.3908 1.4011 1.5699 1.5738 2.5289 2.5294 2.6277 2.6318 10.8237 10.8242 11.7634 11.7726 13.2998 13.3045 13.7073 13.7096 k =-0.0896 0.0962 0.1315 ( 2347 PWs) bands (ev): -18.4519 -18.4519 -15.3433 -15.3419 -15.1806 -15.1789 -14.9947 -14.9924 -7.9808 -7.9806 -4.4006 -4.3982 -4.3434 -4.3390 -3.6060 -3.5997 -0.6230 -0.6189 0.4797 0.4809 1.0281 1.0290 1.3822 1.3891 1.4075 1.4121 1.5545 1.5584 2.5357 2.5362 2.6239 2.6278 10.7678 10.7681 11.7270 11.7355 13.3389 13.3433 13.7012 13.7034 k =-0.0827 0.0888 0.1214 ( 2351 PWs) bands (ev): -18.4649 -18.4649 -15.3186 -15.3174 -15.1787 -15.1771 -14.9912 -14.9891 -8.0104 -8.0103 -4.3939 -4.3918 -4.3465 -4.3424 -3.6261 -3.6201 -0.6115 -0.6077 0.4674 0.4686 1.0694 1.0705 1.3879 1.3912 1.4259 1.4286 1.5397 1.5437 2.5421 2.5426 2.6198 2.6234 10.7141 10.7143 11.6934 11.7013 13.3774 13.3814 13.6952 13.6973 k =-0.0758 0.0814 0.1113 ( 2347 PWs) bands (ev): -18.4770 -18.4770 -15.2955 -15.2945 -15.1768 -15.1754 -14.9880 -14.9861 -8.0379 -8.0378 -4.3877 -4.3858 -4.3490 -4.3450 -3.6453 -3.6398 -0.6005 -0.5970 0.4560 0.4571 1.1078 1.1091 1.3916 1.3937 1.4428 1.4465 1.5257 1.5299 2.5482 2.5486 2.6154 2.6188 10.6631 10.6632 11.6627 11.6700 13.4149 13.4185 13.6895 13.6914 k =-0.0689 0.0740 0.1011 ( 2347 PWs) bands (ev): -18.4881 -18.4881 -15.2741 -15.2732 -15.1751 -15.1738 -14.9850 -14.9833 -8.0634 -8.0633 -4.3819 -4.3803 -4.3507 -4.3471 -3.6637 -3.6586 -0.5902 -0.5870 0.4455 0.4465 1.1431 1.1446 1.3951 1.3966 1.4585 1.4633 1.5125 1.5174 2.5538 2.5542 2.6110 2.6141 10.6152 10.6153 11.6347 11.6414 13.4509 13.4542 13.6840 13.6858 k =-0.0620 0.0666 0.0910 ( 2341 PWs) bands (ev): -18.4982 -18.4982 -15.2544 -15.2536 -15.1736 -15.1724 -14.9824 -14.9809 -8.0866 -8.0865 -4.3766 -4.3752 -4.3519 -4.3486 -3.6809 -3.6762 -0.5806 -0.5777 0.4360 0.4369 1.1750 1.1766 1.3988 1.4001 1.4716 1.4787 1.5004 1.5072 2.5590 2.5593 2.6066 2.6095 10.5708 10.5708 11.6095 11.6155 13.4851 13.4881 13.6790 13.6806 k =-0.0552 0.0592 0.0809 ( 2339 PWs) bands (ev): -18.5073 -18.5072 -15.2366 -15.2359 -15.1722 -15.1711 -14.9800 -14.9787 -8.1076 -8.1075 -4.3718 -4.3707 -4.3526 -4.3497 -3.6969 -3.6926 -0.5717 -0.5691 0.4274 0.4282 1.2034 1.2051 1.4030 1.4041 1.4779 1.4870 1.4950 1.5034 2.5637 2.5639 2.6023 2.6049 10.5301 10.5302 11.5871 11.5924 13.5171 13.5197 13.6743 13.6758 k =-0.0483 0.0518 0.0708 ( 2341 PWs) bands (ev): -18.5153 -18.5153 -15.2206 -15.2200 -15.1709 -15.1700 -14.9779 -14.9768 -8.1263 -8.1262 -4.3676 -4.3668 -4.3527 -4.3503 -3.7114 -3.7076 -0.5637 -0.5615 0.4198 0.4205 1.2280 1.2298 1.4077 1.4086 1.4742 1.4779 1.5065 1.5093 2.5678 2.5679 2.5983 2.6007 10.4936 10.4936 11.5673 11.5719 13.5463 13.5487 13.6702 13.6716 k =-0.0414 0.0444 0.0607 ( 2341 PWs) bands (ev): -18.5223 -18.5223 -15.2067 -15.2062 -15.1697 -15.1690 -14.9761 -14.9751 -8.1426 -8.1425 -4.3640 -4.3634 -4.3525 -4.3506 -3.7244 -3.7210 -0.5567 -0.5547 0.4132 0.4138 1.2488 1.2507 1.4125 1.4133 1.4669 1.4689 1.5175 1.5185 2.5713 2.5714 2.5948 2.5969 10.4614 10.4614 11.5502 11.5542 13.5724 13.5745 13.6668 13.6680 k =-0.0345 0.0370 0.0506 ( 2341 PWs) bands (ev): -18.5283 -18.5282 -15.1948 -15.1944 -15.1687 -15.1681 -14.9745 -14.9737 -8.1565 -8.1564 -4.3611 -4.3605 -4.3520 -4.3506 -3.7355 -3.7327 -0.5505 -0.5489 0.4076 0.4081 1.2660 1.2678 1.4173 1.4179 1.4600 1.4613 1.5269 1.5272 2.5741 2.5742 2.5918 2.5936 10.4338 10.4338 11.5358 11.5391 13.5948 13.5967 13.6642 13.6653 k =-0.0276 0.0296 0.0405 ( 2337 PWs) bands (ev): -18.5331 -18.5331 -15.1851 -15.1848 -15.1677 -15.1673 -14.9732 -14.9726 -8.1679 -8.1679 -4.3589 -4.3583 -4.3512 -4.3504 -3.7448 -3.7425 -0.5454 -0.5441 0.4030 0.4034 1.2797 1.2813 1.4213 1.4218 1.4545 1.4554 1.5347 1.5348 2.5761 2.5764 2.5896 2.5911 10.4109 10.4110 11.5240 11.5267 13.6130 13.6147 13.6627 13.6636 k =-0.0207 0.0222 0.0303 ( 2341 PWs) bands (ev): -18.5369 -18.5369 -15.1777 -15.1774 -15.1668 -15.1665 -14.9722 -14.9718 -8.1768 -8.1768 -4.3573 -4.3566 -4.3503 -4.3499 -3.7521 -3.7504 -0.5414 -0.5404 0.3995 0.3998 1.2901 1.2915 1.4240 1.4243 1.4509 1.4516 1.5407 1.5409 2.5773 2.5776 2.5882 2.5893 10.3930 10.3930 11.5150 11.5170 13.6264 13.6278 13.6627 13.6635 k =-0.0138 0.0148 0.0202 ( 2341 PWs) bands (ev): -18.5396 -18.5396 -15.1728 -15.1726 -15.1657 -15.1655 -14.9715 -14.9712 -8.1832 -8.1832 -4.3563 -4.3557 -4.3496 -4.3494 -3.7573 -3.7562 -0.5384 -0.5377 0.3969 0.3971 1.2975 1.2985 1.4252 1.4253 1.4494 1.4499 1.5451 1.5452 2.5778 2.5781 2.5876 2.5884 10.3801 10.3801 11.5086 11.5099 13.6347 13.6356 13.6644 13.6649 k =-0.0069 0.0074 0.0101 ( 2339 PWs) bands (ev): -18.5413 -18.5413 -15.1703 -15.1702 -15.1644 -15.1644 -14.9710 -14.9709 -8.1870 -8.1870 -4.3556 -4.3552 -4.3490 -4.3490 -3.7604 -3.7598 -0.5365 -0.5362 0.3954 0.3955 1.3020 1.3025 1.4253 1.4253 1.4492 1.4495 1.5478 1.5478 2.5780 2.5781 2.5876 2.5879 10.3723 10.3724 11.5049 11.5056 13.6386 13.6391 13.6666 13.6668 k = 0.0000 0.0000 0.0000 ( 2341 PWs) bands (ev): -18.5418 -18.5418 -15.1696 -15.1696 -15.1639 -15.1639 -14.9708 -14.9708 -8.1883 -8.1883 -4.3552 -4.3552 -4.3489 -4.3489 -3.7612 -3.7612 -0.5358 -0.5358 0.3950 0.3950 1.3036 1.3036 1.4253 1.4253 1.4494 1.4494 1.5487 1.5487 2.5780 2.5780 2.5877 2.5877 10.3697 10.3697 11.5039 11.5039 13.6399 13.6399 13.6676 13.6676 k = 0.0000 0.0000 0.0000 ( 2341 PWs) bands (ev): -18.5418 -18.5418 -15.1696 -15.1696 -15.1639 -15.1639 -14.9708 -14.9708 -8.1883 -8.1883 -4.3552 -4.3552 -4.3489 -4.3489 -3.7612 -3.7612 -0.5358 -0.5358 0.3950 0.3950 1.3036 1.3036 1.4253 1.4253 1.4494 1.4494 1.5487 1.5487 2.5780 2.5780 2.5877 2.5877 10.3697 10.3697 11.5039 11.5039 13.6399 13.6399 13.6676 13.6676 k = 0.0104 0.0097-0.0000 ( 2333 PWs) bands (ev): -18.5412 -18.5412 -15.1697 -15.1697 -15.1640 -15.1640 -14.9722 -14.9722 -8.1865 -8.1865 -4.3544 -4.3544 -4.3480 -4.3480 -3.7620 -3.7620 -0.5351 -0.5351 0.3941 0.3941 1.3034 1.3034 1.4245 1.4245 1.4486 1.4486 1.5472 1.5472 2.5779 2.5779 2.5876 2.5876 10.3722 10.3722 11.5056 11.5056 13.6385 13.6385 13.6662 13.6662 k = 0.0208 0.0194-0.0000 ( 2333 PWs) bands (ev): -18.5394 -18.5394 -15.1701 -15.1701 -15.1643 -15.1643 -14.9764 -14.9764 -8.1810 -8.1810 -4.3519 -4.3519 -4.3455 -4.3455 -3.7643 -3.7643 -0.5329 -0.5329 0.3916 0.3916 1.3027 1.3027 1.4222 1.4222 1.4463 1.4463 1.5427 1.5427 2.5775 2.5775 2.5873 2.5873 10.3797 10.3797 11.5106 11.5106 13.6343 13.6343 13.6619 13.6619 k = 0.0312 0.0291-0.0000 ( 2333 PWs) bands (ev): -18.5364 -18.5364 -15.1706 -15.1706 -15.1649 -15.1649 -14.9834 -14.9834 -8.1718 -8.1718 -4.3478 -4.3478 -4.3414 -4.3414 -3.7681 -3.7681 -0.5294 -0.5294 0.3875 0.3875 1.3015 1.3015 1.4183 1.4183 1.4424 1.4424 1.5354 1.5354 2.5769 2.5769 2.5868 2.5868 10.3921 10.3921 11.5189 11.5189 13.6273 13.6273 13.6548 13.6548 k = 0.0417 0.0388-0.0000 ( 2337 PWs) bands (ev): -18.5323 -18.5323 -15.1714 -15.1714 -15.1656 -15.1656 -14.9932 -14.9932 -8.1591 -8.1591 -4.3420 -4.3420 -4.3355 -4.3355 -3.7735 -3.7735 -0.5244 -0.5244 0.3817 0.3817 1.2996 1.2996 1.4128 1.4128 1.4370 1.4370 1.5254 1.5254 2.5760 2.5760 2.5860 2.5860 10.4094 10.4094 11.5305 11.5305 13.6177 13.6177 13.6450 13.6450 k = 0.0521 0.0485-0.0000 ( 2353 PWs) bands (ev): -18.5269 -18.5269 -15.1724 -15.1724 -15.1666 -15.1666 -15.0056 -15.0056 -8.1428 -8.1428 -4.3345 -4.3345 -4.3281 -4.3281 -3.7804 -3.7804 -0.5179 -0.5179 0.3743 0.3743 1.2969 1.2969 1.4058 1.4058 1.4299 1.4299 1.5128 1.5128 2.5750 2.5750 2.5852 2.5852 10.4315 10.4315 11.5452 11.5452 13.6055 13.6055 13.6326 13.6326 k = 0.0625 0.0582-0.0000 ( 2357 PWs) bands (ev): -18.5204 -18.5204 -15.1736 -15.1736 -15.1678 -15.1678 -15.0208 -15.0208 -8.1229 -8.1229 -4.3255 -4.3255 -4.3190 -4.3190 -3.7888 -3.7888 -0.5101 -0.5101 0.3654 0.3654 1.2931 1.2931 1.3971 1.3971 1.4213 1.4213 1.4981 1.4981 2.5738 2.5738 2.5842 2.5842 10.4583 10.4583 11.5632 11.5632 13.5910 13.5910 13.6177 13.6177 k = 0.0729 0.0679-0.0000 ( 2357 PWs) bands (ev): -18.5127 -18.5127 -15.1750 -15.1750 -15.1692 -15.1692 -15.0385 -15.0385 -8.0996 -8.0996 -4.3149 -4.3149 -4.3084 -4.3084 -3.7988 -3.7988 -0.5009 -0.5009 0.3549 0.3549 1.2878 1.2878 1.3870 1.3870 1.4110 1.4110 1.4817 1.4817 2.5726 2.5726 2.5832 2.5832 10.4897 10.4897 11.5842 11.5842 13.5742 13.5742 13.6006 13.6006 k = 0.0833 0.0776-0.0000 ( 2357 PWs) bands (ev): -18.5038 -18.5038 -15.1766 -15.1766 -15.1708 -15.1708 -15.0587 -15.0587 -8.0729 -8.0729 -4.3027 -4.3027 -4.2961 -4.2961 -3.8102 -3.8102 -0.4903 -0.4903 0.3429 0.3429 1.2805 1.2805 1.3752 1.3752 1.3991 1.3991 1.4641 1.4641 2.5714 2.5714 2.5822 2.5822 10.5257 10.5257 11.6083 11.6083 13.5553 13.5553 13.5814 13.5814 k = 0.0938 0.0873-0.0000 ( 2337 PWs) bands (ev): -18.4938 -18.4938 -15.1784 -15.1784 -15.1726 -15.1726 -15.0813 -15.0813 -8.0430 -8.0430 -4.2890 -4.2890 -4.2823 -4.2823 -3.8232 -3.8232 -0.4783 -0.4783 0.3296 0.3296 1.2705 1.2705 1.3620 1.3620 1.3855 1.3855 1.4463 1.4463 2.5703 2.5703 2.5813 2.5813 10.5660 10.5660 11.6352 11.6352 13.5346 13.5346 13.5603 13.5603 k = 0.1042 0.0970-0.0000 ( 2337 PWs) bands (ev): -18.4826 -18.4826 -15.1804 -15.1804 -15.1745 -15.1745 -15.1063 -15.1063 -8.0098 -8.0098 -4.2737 -4.2737 -4.2670 -4.2670 -3.8377 -3.8377 -0.4650 -0.4650 0.3148 0.3148 1.2570 1.2570 1.3472 1.3472 1.3702 1.3702 1.4288 1.4288 2.5693 2.5693 2.5805 2.5805 10.6105 10.6105 11.6648 11.6648 13.5122 13.5122 13.5375 13.5375 k = 0.1146 0.1068-0.0000 ( 2345 PWs) bands (ev): -18.4703 -18.4703 -15.1826 -15.1826 -15.1767 -15.1767 -15.1335 -15.1335 -7.9735 -7.9735 -4.2570 -4.2570 -4.2503 -4.2503 -3.8537 -3.8537 -0.4503 -0.4503 0.2988 0.2988 1.2392 1.2392 1.3308 1.3308 1.3532 1.3532 1.4128 1.4128 2.5684 2.5684 2.5799 2.5799 10.6590 10.6590 11.6971 11.6971 13.4883 13.4883 13.5132 13.5132 k = 0.1250 0.1165-0.0000 ( 2341 PWs) bands (ev): -18.4568 -18.4568 -15.1852 -15.1852 -15.1790 -15.1790 -15.1626 -15.1626 -7.9343 -7.9343 -4.2389 -4.2389 -4.2321 -4.2321 -3.8711 -3.8711 -0.4344 -0.4344 0.2816 0.2816 1.2168 1.2168 1.3128 1.3128 1.3344 1.3344 1.3987 1.3987 2.5679 2.5679 2.5795 2.5795 10.7114 10.7114 11.7318 11.7318 13.4631 13.4631 13.4876 13.4876 k = 0.1354 0.1262-0.0000 ( 2333 PWs) bands (ev): -18.4422 -18.4422 -15.1962 -15.1962 -15.1855 -15.1855 -15.1814 -15.1814 -7.8922 -7.8922 -4.2194 -4.2194 -4.2125 -4.2125 -3.8901 -3.8901 -0.4171 -0.4171 0.2632 0.2632 1.1898 1.1898 1.2931 1.2931 1.3139 1.3139 1.3869 1.3869 2.5677 2.5677 2.5794 2.5794 10.7675 10.7675 11.7689 11.7689 13.4369 13.4369 13.4609 13.4609 k = 0.1458 0.1359-0.0000 ( 2326 PWs) bands (ev): -18.4266 -18.4266 -15.2285 -15.2285 -15.1893 -15.1893 -15.1840 -15.1840 -7.8473 -7.8473 -4.1986 -4.1986 -4.1916 -4.1916 -3.9105 -3.9105 -0.3987 -0.3987 0.2438 0.2438 1.1588 1.1588 1.2715 1.2715 1.2916 1.2916 1.3770 1.3770 2.5679 2.5679 2.5797 2.5797 10.8270 10.8270 11.8082 11.8082 13.4097 13.4097 13.4333 13.4333 k = 0.1562 0.1456-0.0000 ( 2322 PWs) bands (ev): -18.4098 -18.4098 -15.2635 -15.2635 -15.1921 -15.1921 -15.1867 -15.1867 -7.7997 -7.7997 -4.1766 -4.1766 -4.1694 -4.1694 -3.9324 -3.9324 -0.3790 -0.3790 0.2235 0.2235 1.1241 1.1241 1.2480 1.2480 1.2677 1.2677 1.3687 1.3687 2.5684 2.5684 2.5803 2.5803 10.8899 10.8899 11.8494 11.8494 13.3819 13.3819 13.4050 13.4050 k = 0.1667 0.1553-0.0000 ( 2322 PWs) bands (ev): -18.3920 -18.3920 -15.3004 -15.3004 -15.1950 -15.1950 -15.1895 -15.1895 -7.7496 -7.7496 -4.1533 -4.1533 -4.1461 -4.1460 -3.9558 -3.9558 -0.3581 -0.3581 0.2023 0.2023 1.0866 1.0866 1.2229 1.2229 1.2421 1.2421 1.3614 1.3614 2.5695 2.5695 2.5814 2.5814 10.9558 10.9558 11.8924 11.8924 13.3534 13.3534 13.3761 13.3761 k = 0.1771 0.1650-0.0000 ( 2326 PWs) bands (ev): -18.3731 -18.3731 -15.3388 -15.3388 -15.1980 -15.1980 -15.1925 -15.1925 -7.6972 -7.6972 -4.1289 -4.1289 -4.1215 -4.1215 -3.9807 -3.9807 -0.3362 -0.3362 0.1804 0.1804 1.0466 1.0466 1.1961 1.1961 1.2149 1.2149 1.3547 1.3547 2.5710 2.5710 2.5829 2.5829 11.0245 11.0245 11.9370 11.9370 13.3246 13.3246 13.3468 13.3468 k = 0.1875 0.1747-0.0000 ( 2322 PWs) bands (ev): -18.3532 -18.3532 -15.3788 -15.3788 -15.2011 -15.2011 -15.1955 -15.1955 -7.6424 -7.6424 -4.1035 -4.1035 -4.0959 -4.0959 -4.0069 -4.0069 -0.3131 -0.3131 0.1578 0.1578 1.0048 1.0048 1.1677 1.1677 1.1861 1.1861 1.3482 1.3482 2.5730 2.5730 2.5849 2.5849 11.0959 11.0959 11.9831 11.9831 13.2955 13.2955 13.3173 13.3173 k = 0.1979 0.1844-0.0000 ( 2322 PWs) bands (ev): -18.3324 -18.3324 -15.4200 -15.4200 -15.2042 -15.2042 -15.1986 -15.1986 -7.5856 -7.5856 -4.0773 -4.0773 -4.0693 -4.0693 -4.0345 -4.0345 -0.2890 -0.2890 0.1348 0.1348 0.9615 0.9615 1.1379 1.1379 1.1559 1.1559 1.3417 1.3417 2.5756 2.5756 2.5874 2.5874 11.1696 11.1696 12.0303 12.0303 13.2664 13.2664 13.2877 13.2877 k = 0.2083 0.1941-0.0000 ( 2330 PWs) bands (ev): -18.3105 -18.3105 -15.4625 -15.4625 -15.2074 -15.2074 -15.2018 -15.2018 -7.5267 -7.5267 -4.0658 -4.0658 -4.0480 -4.0480 -4.0416 -4.0416 -0.2641 -0.2641 0.1114 0.1114 0.9170 0.9170 1.1067 1.1067 1.1242 1.1242 1.3349 1.3349 2.5786 2.5786 2.5903 2.5903 11.2455 11.2455 12.0785 12.0785 13.2372 13.2372 13.2581 13.2581 k = 0.2188 0.2038-0.0000 ( 2326 PWs) bands (ev): -18.2877 -18.2877 -15.5060 -15.5060 -15.2106 -15.2106 -15.2050 -15.2050 -7.4659 -7.4659 -4.0955 -4.0955 -4.0208 -4.0208 -4.0133 -4.0133 -0.2382 -0.2382 0.0878 0.0878 0.8718 0.8718 1.0743 1.0743 1.0914 1.0914 1.3278 1.3278 2.5822 2.5822 2.5937 2.5937 11.3232 11.3232 12.1275 12.1275 13.2082 13.2082 13.2287 13.2287 k = 0.2292 0.2135-0.0000 ( 2330 PWs) bands (ev): -18.2640 -18.2640 -15.5505 -15.5505 -15.2139 -15.2139 -15.2083 -15.2083 -7.4033 -7.4033 -4.1276 -4.1276 -3.9919 -3.9919 -3.9842 -3.9842 -0.2118 -0.2118 0.0642 0.0642 0.8260 0.8260 1.0408 1.0408 1.0574 1.0574 1.3201 1.3201 2.5862 2.5862 2.5975 2.5975 11.4026 11.4026 12.1770 12.1770 13.1795 13.1795 13.1996 13.1996 k = 0.2396 0.2232-0.0000 ( 2322 PWs) bands (ev): -18.2394 -18.2394 -15.5959 -15.5959 -15.2172 -15.2172 -15.2116 -15.2116 -7.3391 -7.3391 -4.1614 -4.1614 -3.9623 -3.9623 -3.9544 -3.9544 -0.1849 -0.1849 0.0410 0.0410 0.7801 0.7801 1.0062 1.0062 1.0223 1.0223 1.3117 1.3117 2.5906 2.5906 2.6017 2.6017 11.4834 11.4834 12.2268 12.2268 13.1512 13.1512 13.1708 13.1708 k = 0.2500 0.2329-0.0000 ( 2322 PWs) bands (ev): -18.2140 -18.2140 -15.6419 -15.6419 -15.2205 -15.2205 -15.2149 -15.2149 -7.2733 -7.2733 -4.1966 -4.1966 -3.9322 -3.9322 -3.9241 -3.9241 -0.1582 -0.1582 0.0187 0.0187 0.7342 0.7342 0.9708 0.9708 0.9864 0.9864 1.3025 1.3025 2.5955 2.5955 2.6063 2.6063 11.5653 11.5653 12.2768 12.2768 13.1232 13.1232 13.1425 13.1425 k = 0.2604 0.2426-0.0000 ( 2322 PWs) bands (ev): -18.1878 -18.1878 -15.6885 -15.6885 -15.2238 -15.2238 -15.2182 -15.2182 -7.2062 -7.2062 -4.2334 -4.2334 -3.9016 -3.9016 -3.8933 -3.8933 -0.1328 -0.1328 -0.0013 -0.0013 0.6886 0.6886 0.9347 0.9347 0.9498 0.9498 1.2925 1.2925 2.6007 2.6007 2.6113 2.6113 11.6480 11.6480 12.3266 12.3266 13.0959 13.0959 13.1148 13.1148 k = 0.2708 0.2523-0.0000 ( 2310 PWs) bands (ev): -18.1608 -18.1608 -15.7355 -15.7355 -15.2270 -15.2270 -15.2215 -15.2215 -7.1378 -7.1378 -4.2717 -4.2717 -3.8707 -3.8707 -3.8622 -3.8622 -0.1122 -0.1122 -0.0159 -0.0159 0.6434 0.6434 0.8981 0.8981 0.9126 0.9126 1.2816 1.2816 2.6063 2.6063 2.6166 2.6166 11.7312 11.7312 12.3761 12.3761 13.0692 13.0692 13.0877 13.0877 k = 0.2812 0.2620-0.0000 ( 2318 PWs) bands (ev): -18.1332 -18.1332 -15.7828 -15.7828 -15.2303 -15.2303 -15.2247 -15.2247 -7.0682 -7.0682 -4.3115 -4.3115 -3.8396 -3.8396 -3.8310 -3.8310 -0.1037 -0.1037 -0.0174 -0.0174 0.5991 0.5991 0.8610 0.8610 0.8751 0.8751 1.2698 1.2698 2.6121 2.6121 2.6221 2.6221 11.8146 11.8146 12.4251 12.4251 13.0431 13.0431 13.0612 13.0612 k = 0.2917 0.2717-0.0000 ( 2318 PWs) bands (ev): -18.1050 -18.1050 -15.8303 -15.8303 -15.2335 -15.2335 -15.2279 -15.2279 -6.9976 -6.9976 -4.3528 -4.3528 -3.8084 -3.8084 -3.7996 -3.7996 -0.1112 -0.1112 -0.0020 -0.0020 0.5557 0.5557 0.8238 0.8238 0.8373 0.8373 1.2569 1.2569 2.6181 2.6181 2.6278 2.6278 11.8979 11.8979 12.4733 12.4733 13.0179 13.0179 13.0356 13.0356 k = 0.3021 0.2814-0.0000 ( 2318 PWs) bands (ev): -18.0762 -18.0762 -15.8778 -15.8778 -15.2366 -15.2366 -15.2310 -15.2310 -6.9260 -6.9260 -4.3956 -4.3956 -3.7774 -3.7774 -3.7683 -3.7683 -0.1277 -0.1277 0.0232 0.0232 0.5136 0.5136 0.7866 0.7866 0.7995 0.7995 1.2430 1.2430 2.6243 2.6243 2.6337 2.6337 11.9807 11.9807 12.5205 12.5205 12.9935 12.9935 13.0109 13.0109 k = 0.3125 0.2911-0.0000 ( 2318 PWs) bands (ev): -18.0469 -18.0469 -15.9252 -15.9252 -15.2397 -15.2397 -15.2341 -15.2341 -6.8537 -6.8537 -4.4399 -4.4399 -3.7465 -3.7465 -3.7372 -3.7372 -0.1473 -0.1473 0.0523 0.0523 0.4730 0.4730 0.7495 0.7495 0.7619 0.7619 1.2280 1.2280 2.6307 2.6307 2.6397 2.6397 12.0628 12.0628 12.5666 12.5666 12.9700 12.9700 12.9870 12.9870 k = 0.3229 0.3008-0.0000 ( 2326 PWs) bands (ev): -18.0173 -18.0173 -15.9723 -15.9723 -15.2427 -15.2427 -15.2371 -15.2371 -6.7807 -6.7807 -4.4858 -4.4858 -3.7159 -3.7159 -3.7065 -3.7065 -0.1678 -0.1678 0.0830 0.0830 0.4342 0.4342 0.7128 0.7128 0.7246 0.7246 1.2120 1.2120 2.6370 2.6370 2.6457 2.6457 12.1436 12.1436 12.6114 12.6114 12.9475 12.9475 12.9641 12.9641 k = 0.3333 0.3106-0.0000 ( 2326 PWs) bands (ev): -17.9874 -17.9874 -16.0190 -16.0190 -15.2456 -15.2455 -15.2400 -15.2400 -6.7071 -6.7071 -4.5331 -4.5331 -3.6859 -3.6859 -3.6763 -3.6763 -0.1884 -0.1884 0.1141 0.1141 0.3977 0.3977 0.6766 0.6766 0.6880 0.6880 1.1949 1.1949 2.6434 2.6434 2.6517 2.6517 12.2229 12.2229 12.6546 12.6546 12.9260 12.9260 12.9422 12.9422 k = 0.3438 0.3203-0.0000 ( 2326 PWs) bands (ev): -17.9574 -17.9574 -16.0651 -16.0651 -15.2483 -15.2483 -15.2427 -15.2427 -6.6331 -6.6331 -4.5820 -4.5820 -3.6565 -3.6565 -3.6467 -3.6467 -0.2086 -0.2086 0.1445 0.1445 0.3643 0.3643 0.6412 0.6412 0.6521 0.6521 1.1767 1.1767 2.6497 2.6497 2.6577 2.6577 12.3002 12.3002 12.6962 12.6962 12.9057 12.9057 12.9214 12.9214 k = 0.3542 0.3300-0.0000 ( 2318 PWs) bands (ev): -17.9274 -17.9274 -16.1103 -16.1103 -15.2510 -15.2510 -15.2454 -15.2454 -6.5587 -6.5587 -4.6323 -4.6323 -3.6279 -3.6279 -3.6179 -3.6179 -0.2282 -0.2282 0.1724 0.1724 0.3358 0.3358 0.6068 0.6068 0.6172 0.6172 1.1576 1.1576 2.6559 2.6559 2.6635 2.6635 12.3751 12.3751 12.7359 12.7359 12.8865 12.8865 12.9017 12.9017 k = 0.3646 0.3397-0.0000 ( 2318 PWs) bands (ev): -17.8975 -17.8975 -16.1546 -16.1546 -15.2535 -15.2535 -15.2479 -15.2479 -6.4842 -6.4842 -4.6840 -4.6840 -3.6004 -3.6004 -3.5902 -3.5902 -0.2470 -0.2470 0.1935 0.1935 0.3163 0.3163 0.5736 0.5736 0.5835 0.5835 1.1374 1.1374 2.6620 2.6620 2.6692 2.6692 12.4473 12.4473 12.7734 12.7734 12.8687 12.8687 12.8832 12.8832 k = 0.3750 0.3494-0.0000 ( 2318 PWs) bands (ev): -17.8680 -17.8680 -16.1976 -16.1976 -15.2558 -15.2558 -15.2503 -15.2503 -6.4095 -6.4095 -4.7371 -4.7371 -3.5740 -3.5740 -3.5636 -3.5636 -0.2649 -0.2649 0.2005 0.2005 0.3131 0.3131 0.5418 0.5418 0.5512 0.5512 1.1162 1.1162 2.6678 2.6678 2.6747 2.6747 12.5161 12.5161 12.8079 12.8079 12.8532 12.8532 12.8660 12.8660 k = 0.3854 0.3591-0.0000 ( 2318 PWs) bands (ev): -17.8390 -17.8390 -16.2392 -16.2392 -15.2581 -15.2581 -15.2525 -15.2525 -6.3350 -6.3350 -4.7916 -4.7916 -3.5489 -3.5489 -3.5383 -3.5383 -0.2817 -0.2817 0.1913 0.1913 0.3283 0.3283 0.5116 0.5116 0.5206 0.5206 1.0942 1.0942 2.6734 2.6734 2.6799 2.6799 12.5812 12.5812 12.8278 12.8278 12.8486 12.8486 12.8526 12.8526 k = 0.3958 0.3688-0.0000 ( 2318 PWs) bands (ev): -17.8108 -17.8108 -16.2790 -16.2790 -15.2601 -15.2601 -15.2545 -15.2545 -6.2606 -6.2606 -4.8473 -4.8473 -3.5252 -3.5252 -3.5145 -3.5145 -0.2974 -0.2974 0.1738 0.1738 0.3538 0.3538 0.4832 0.4832 0.4918 0.4918 1.0714 1.0714 2.6786 2.6786 2.6848 2.6848 12.6420 12.6420 12.8183 12.8183 12.8349 12.8349 12.8781 12.8781 k = 0.4062 0.3785-0.0000 ( 2326 PWs) bands (ev): -17.7836 -17.7836 -16.3167 -16.3167 -15.2620 -15.2620 -15.2564 -15.2564 -6.1867 -6.1867 -4.9042 -4.9042 -3.5033 -3.5033 -3.4924 -3.4924 -0.3119 -0.3119 0.1541 0.1541 0.3835 0.3835 0.4568 0.4568 0.4650 0.4650 1.0480 1.0480 2.6835 2.6835 2.6894 2.6894 12.6981 12.6981 12.8060 12.8060 12.8214 12.8214 12.9066 12.9066 k = 0.4167 0.3882-0.0000 ( 2342 PWs) bands (ev): -17.7578 -17.7578 -16.3521 -16.3521 -15.2637 -15.2637 -15.2581 -15.2581 -6.1133 -6.1133 -4.9622 -4.9622 -3.4831 -3.4831 -3.4721 -3.4721 -0.3250 -0.3250 0.1348 0.1348 0.4143 0.4143 0.4327 0.4327 0.4405 0.4405 1.0241 1.0241 2.6880 2.6880 2.6936 2.6936 12.7484 12.7484 12.7952 12.7952 12.8093 12.8093 12.9332 12.9332 k = 0.4271 0.3979-0.0000 ( 2334 PWs) bands (ev): -17.7337 -17.7337 -16.3847 -16.3847 -15.2652 -15.2652 -15.2597 -15.2597 -6.0407 -6.0407 -5.0210 -5.0210 -3.4649 -3.4649 -3.4537 -3.4537 -0.3368 -0.3368 0.1170 0.1170 0.4106 0.4106 0.4180 0.4180 0.4462 0.4462 1.0000 1.0000 2.6921 2.6921 2.6974 2.6974 12.7794 12.7794 12.7973 12.7973 12.8007 12.8007 12.9577 12.9577 k = 0.4375 0.4076-0.0000 ( 2342 PWs) bands (ev): -17.7116 -17.7116 -16.4141 -16.4141 -15.2666 -15.2666 -15.2610 -15.2610 -5.9694 -5.9694 -5.0803 -5.0803 -3.4488 -3.4488 -3.4375 -3.4375 -0.3472 -0.3472 0.1011 0.1011 0.3913 0.3913 0.3985 0.3986 0.4766 0.4766 0.9760 0.9760 2.6957 2.6957 2.7007 2.7007 12.7731 12.7731 12.7890 12.7890 12.8363 12.8363 12.9797 12.9797 k = 0.4479 0.4173-0.0000 ( 2350 PWs) bands (ev): -17.6920 -17.6920 -16.4401 -16.4401 -15.2677 -15.2677 -15.2621 -15.2621 -5.8997 -5.8997 -5.1397 -5.1397 -3.4350 -3.4350 -3.4235 -3.4235 -0.3560 -0.3560 0.0874 0.0874 0.3747 0.3747 0.3817 0.3817 0.5057 0.5057 0.9527 0.9527 2.6988 2.6988 2.7035 2.7035 12.7657 12.7657 12.7810 12.7810 12.8694 12.8694 12.9991 12.9991 k = 0.4583 0.4270-0.0000 ( 2350 PWs) bands (ev): -17.6752 -17.6752 -16.4620 -16.4620 -15.2687 -15.2687 -15.2631 -15.2631 -5.8326 -5.8326 -5.1984 -5.1984 -3.4235 -3.4235 -3.4119 -3.4119 -0.3633 -0.3633 0.0760 0.0760 0.3609 0.3609 0.3677 0.3677 0.5327 0.5327 0.9306 0.9306 2.7014 2.7014 2.7059 2.7059 12.7595 12.7595 12.7745 12.7745 12.8965 12.8965 13.0158 13.0158 k = 0.4688 0.4367-0.0000 ( 2350 PWs) bands (ev): -17.6617 -17.6617 -16.4796 -16.4796 -15.2694 -15.2694 -15.2638 -15.2638 -5.7696 -5.7696 -5.2547 -5.2547 -3.4144 -3.4144 -3.4028 -3.4028 -0.3691 -0.3691 0.0671 0.0671 0.3501 0.3501 0.3567 0.3567 0.5563 0.5563 0.9109 0.9109 2.7034 2.7034 2.7077 2.7077 12.7546 12.7546 12.7693 12.7693 12.9173 12.9173 13.0293 13.0293 k = 0.4792 0.4464-0.0000 ( 2350 PWs) bands (ev): -17.6517 -17.6517 -16.4924 -16.4924 -15.2699 -15.2699 -15.2643 -15.2643 -5.7140 -5.7140 -5.3056 -5.3056 -3.4079 -3.4079 -3.3962 -3.3962 -0.3732 -0.3732 0.0607 0.0607 0.3423 0.3423 0.3488 0.3488 0.5751 0.5751 0.8948 0.8948 2.7049 2.7049 2.7091 2.7091 12.7510 12.7510 12.7657 12.7657 12.9320 12.9320 13.0394 13.0394 k = 0.4896 0.4561-0.0000 ( 2354 PWs) bands (ev): -17.6456 -17.6456 -16.5002 -16.5002 -15.2702 -15.2702 -15.2647 -15.2647 -5.6724 -5.6724 -5.3444 -5.3444 -3.4040 -3.4040 -3.3923 -3.3923 -0.3757 -0.3757 0.0568 0.0568 0.3375 0.3375 0.3440 0.3440 0.5875 0.5875 0.8842 0.8842 2.7058 2.7058 2.7099 2.7099 12.7489 12.7489 12.7635 12.7635 12.9407 12.9407 13.0456 13.0456 k = 0.5000 0.4658-0.0000 ( 2354 PWs) bands (ev): -17.6436 -17.6436 -16.5029 -16.5029 -15.2703 -15.2703 -15.2648 -15.2648 -5.6561 -5.6561 -5.3598 -5.3598 -3.4027 -3.4027 -3.3909 -3.3909 -0.3765 -0.3765 0.0555 0.0555 0.3360 0.3360 0.3424 0.3424 0.5918 0.5918 0.8804 0.8804 2.7060 2.7060 2.7101 2.7101 12.7481 12.7481 12.7627 12.7627 12.9436 12.9436 13.0477 13.0477 k = 0.5000 0.4658-0.0000 ( 2354 PWs) bands (ev): -17.6436 -17.6436 -16.5029 -16.5029 -15.2703 -15.2703 -15.2648 -15.2648 -5.6561 -5.6561 -5.3598 -5.3598 -3.4027 -3.4027 -3.3909 -3.3909 -0.3765 -0.3765 0.0555 0.0555 0.3360 0.3360 0.3424 0.3424 0.5918 0.5918 0.8804 0.8804 2.7060 2.7060 2.7101 2.7101 12.7481 12.7481 12.7627 12.7627 12.9436 12.9436 13.0477 13.0477 k = 0.4933 0.4731 0.0099 ( 2354 PWs) bands (ev): -17.6436 -17.6436 -16.5030 -16.5028 -15.2705 -15.2702 -15.2647 -15.2647 -5.6563 -5.6562 -5.3603 -5.3597 -3.4030 -3.4026 -3.3912 -3.3908 -0.3790 -0.3774 0.0485 0.0517 0.3335 0.3349 0.3475 0.3501 0.5942 0.5952 0.8820 0.8825 2.7054 2.7058 2.7096 2.7099 12.7447 12.7478 12.7605 12.7611 12.9446 12.9476 13.0495 13.0500 k = 0.4865 0.4803 0.0198 ( 2354 PWs) bands (ev): -17.6435 -17.6434 -16.5032 -16.5028 -15.2706 -15.2699 -15.2647 -15.2646 -5.6568 -5.6565 -5.3614 -5.3602 -3.4037 -3.4031 -3.3914 -3.3903 -0.3848 -0.3817 0.0329 0.0387 0.3219 0.3235 0.3708 0.3743 0.6018 0.6035 0.8874 0.8883 2.7038 2.7047 2.7082 2.7089 12.7376 12.7437 12.7546 12.7563 12.9504 12.9558 13.0555 13.0563 k = 0.4798 0.4875 0.0297 ( 2353 PWs) bands (ev): -17.6433 -17.6433 -16.5035 -16.5028 -15.2708 -15.2697 -15.2645 -15.2643 -5.6579 -5.6575 -5.3628 -5.3610 -3.4057 -3.4050 -3.3906 -3.3887 -0.3943 -0.3897 0.0134 0.0211 0.3036 0.3057 0.4059 0.4099 0.6131 0.6154 0.8966 0.8979 2.7010 2.7024 2.7063 2.7073 12.7274 12.7358 12.7461 12.7489 12.9599 12.9670 13.0658 13.0668 k = 0.4730 0.4948 0.0395 ( 2357 PWs) bands (ev): -17.6431 -17.6431 -16.5039 -16.5029 -15.2710 -15.2697 -15.2641 -15.2638 -5.6598 -5.6593 -5.3641 -5.3617 -3.4094 -3.4087 -3.3886 -3.3857 -0.4076 -0.4017 -0.0062 0.0030 0.2810 0.2833 0.4486 0.4527 0.6263 0.6291 0.9095 0.9111 2.6969 2.6988 2.7041 2.7052 12.7144 12.7242 12.7358 12.7399 12.9720 12.9800 13.0804 13.0814 k = 0.4663 0.5020 0.0494 ( 2347 PWs) bands (ev): -17.6429 -17.6429 -16.5042 -16.5030 -15.2714 -15.2698 -15.2635 -15.2629 -5.6630 -5.6624 -5.3648 -5.3619 -3.4148 -3.4140 -3.3852 -3.3814 -0.4247 -0.4179 -0.0232 -0.0130 0.2553 0.2578 0.4959 0.5001 0.6405 0.6435 0.9259 0.9278 2.6916 2.6939 2.7015 2.7027 12.6993 12.7096 12.7243 12.7297 12.9858 12.9941 13.0991 13.0999 k = 0.4596 0.5092 0.0593 ( 2339 PWs) bands (ev): -17.6427 -17.6427 -16.5045 -16.5030 -15.2720 -15.2701 -15.2626 -15.2617 -5.6681 -5.6673 -5.3645 -5.3611 -3.4217 -3.4208 -3.3807 -3.3761 -0.4456 -0.4380 -0.0362 -0.0255 0.2278 0.2304 0.5458 0.5500 0.6554 0.6584 0.9456 0.9478 2.6850 2.6877 2.6985 2.6998 12.6821 12.6923 12.7123 12.7189 13.0007 13.0089 13.1213 13.1223 k = 0.4528 0.5165 0.0692 ( 2339 PWs) bands (ev): -17.6426 -17.6426 -16.5047 -16.5030 -15.2727 -15.2706 -15.2613 -15.2602 -5.6756 -5.6746 -5.3625 -5.3587 -3.4300 -3.4289 -3.3752 -3.3700 -0.4699 -0.4619 -0.0447 -0.0337 0.1991 0.2018 0.5957 0.6000 0.6721 0.6747 0.9683 0.9706 2.6771 2.6802 2.6951 2.6964 12.6625 12.6724 12.7004 12.7080 13.0167 13.0245 13.1464 13.1479 k = 0.4461 0.5237 0.0791 ( 2335 PWs) bands (ev): -17.6427 -17.6426 -16.5047 -16.5028 -15.2735 -15.2712 -15.2597 -15.2584 -5.6859 -5.6847 -5.3584 -5.3542 -3.4396 -3.4384 -3.3689 -3.3630 -0.4970 -0.4888 -0.0486 -0.0377 0.1699 0.1725 0.6391 0.6440 0.6959 0.6980 0.9934 0.9959 2.6679 2.6715 2.6912 2.6926 12.6407 12.6501 12.6892 12.6974 13.0337 13.0411 13.1741 13.1761 k = 0.4394 0.5309 0.0890 ( 2331 PWs) bands (ev): -17.6429 -17.6428 -16.5045 -16.5025 -15.2744 -15.2719 -15.2579 -15.2563 -5.6995 -5.6981 -5.3517 -5.3472 -3.4504 -3.4490 -3.3620 -3.3554 -0.5262 -0.5179 -0.0484 -0.0376 0.1404 0.1431 0.6661 0.6719 0.7357 0.7387 1.0206 1.0232 2.6575 2.6615 2.6869 2.6883 12.6166 12.6256 12.6789 12.6876 13.0518 13.0588 13.2038 13.2063 k = 0.4326 0.5382 0.0989 ( 2331 PWs) bands (ev): -17.6434 -17.6433 -16.5041 -16.5018 -15.2754 -15.2727 -15.2558 -15.2539 -5.7165 -5.7148 -5.3423 -5.3376 -3.4623 -3.4609 -3.3544 -3.3473 -0.5568 -0.5486 -0.0444 -0.0339 0.1111 0.1137 0.6817 0.6876 0.7877 0.7910 1.0493 1.0520 2.6458 2.6502 2.6821 2.6837 12.5904 12.5990 12.6696 12.6787 13.0712 13.0777 13.2351 13.2382 k = 0.4259 0.5454 0.1087 ( 2331 PWs) bands (ev): -17.6442 -17.6442 -16.5033 -16.5008 -15.2763 -15.2735 -15.2534 -15.2513 -5.7369 -5.7350 -5.3302 -5.3252 -3.4754 -3.4738 -3.3463 -3.3386 -0.5881 -0.5800 -0.0371 -0.0271 0.0822 0.0847 0.6932 0.6992 0.8441 0.8472 1.0793 1.0820 2.6328 2.6376 2.6770 2.6786 12.5622 12.5706 12.6615 12.6708 13.0918 13.0979 13.2677 13.2712 k = 0.4191 0.5526 0.1186 ( 2331 PWs) bands (ev): -17.6455 -17.6454 -16.5020 -16.4994 -15.2773 -15.2743 -15.2508 -15.2485 -5.7607 -5.7586 -5.3153 -5.3102 -3.4896 -3.4879 -3.3379 -3.3297 -0.6195 -0.6116 -0.0270 -0.0175 0.0539 0.0563 0.7030 0.7092 0.9019 0.9049 1.1100 1.1129 2.6186 2.6237 2.6715 2.6732 12.5324 12.5406 12.6546 12.6640 13.1138 13.1195 13.3012 13.3051 k = 0.4124 0.5598 0.1285 ( 2323 PWs) bands (ev): -17.6472 -17.6472 -16.5002 -16.4974 -15.2782 -15.2750 -15.2480 -15.2454 -5.7877 -5.7853 -5.2980 -5.2928 -3.5048 -3.5029 -3.3291 -3.3204 -0.6505 -0.6428 -0.0146 -0.0056 0.0267 0.0286 0.7120 0.7184 0.9604 0.9630 1.1414 1.1445 2.6032 2.6087 2.6656 2.6674 12.5011 12.5092 12.6489 12.6584 13.1371 13.1425 13.3354 13.3395 k = 0.4057 0.5671 0.1384 ( 2323 PWs) bands (ev): -17.6495 -17.6495 -16.4978 -16.4948 -15.2790 -15.2757 -15.2449 -15.2421 -5.8176 -5.8150 -5.2785 -5.2731 -3.5210 -3.5190 -3.3200 -3.3109 -0.6808 -0.6732 -0.0039 0.0016 0.0020 0.0109 0.7206 0.7271 1.0187 1.0209 1.1732 1.1767 2.5864 2.5923 2.6595 2.6613 12.4687 12.4767 12.6443 12.6538 13.1616 13.1667 13.3698 13.3742 k = 0.3989 0.5743 0.1483 ( 2321 PWs) bands (ev): -17.6525 -17.6525 -16.4946 -16.4915 -15.2798 -15.2763 -15.2416 -15.2386 -5.8501 -5.8474 -5.2571 -5.2515 -3.5381 -3.5359 -3.3109 -3.3013 -0.7100 -0.7026 -0.0270 -0.0240 0.0171 0.0259 0.7289 0.7357 1.0764 1.0779 1.2055 1.2097 2.5685 2.5747 2.6530 2.6549 12.4353 12.4433 12.6408 12.6503 13.1874 13.1922 13.4042 13.4089 k = 0.3922 0.5815 0.1582 ( 2321 PWs) bands (ev): -17.6563 -17.6562 -16.4905 -16.4873 -15.2804 -15.2768 -15.2381 -15.2349 -5.8851 -5.8822 -5.2339 -5.2282 -3.5561 -3.5538 -3.3016 -3.2917 -0.7378 -0.7305 -0.0513 -0.0486 0.0354 0.0437 0.7371 0.7440 1.1324 1.1332 1.2388 1.2440 2.5493 2.5559 2.6463 2.6482 12.4012 12.4093 12.6383 12.6478 13.2143 13.2188 13.4385 13.4433 k = 0.3854 0.5888 0.1680 ( 2321 PWs) bands (ev): -17.6608 -17.6608 -16.4856 -16.4822 -15.2809 -15.2772 -15.2344 -15.2310 -5.9223 -5.9192 -5.2093 -5.2035 -3.5749 -3.5724 -3.2924 -3.2822 -0.7641 -0.7569 -0.0744 -0.0720 0.0552 0.0632 0.7452 0.7524 1.1847 1.1863 1.2738 1.2805 2.5290 2.5359 2.6395 2.6414 12.3667 12.3748 12.6369 12.6463 13.2421 13.2464 13.4722 13.4772 k = 0.3787 0.5960 0.1779 ( 2327 PWs) bands (ev): -17.6663 -17.6662 -16.4796 -16.4761 -15.2812 -15.2774 -15.2304 -15.2268 -5.9615 -5.9583 -5.1835 -5.1776 -3.5944 -3.5918 -3.2833 -3.2728 -0.7886 -0.7815 -0.0962 -0.0939 0.0764 0.0841 0.7533 0.7607 1.2317 1.2348 1.3125 1.3208 2.5076 2.5147 2.6324 2.6344 12.3318 12.3401 12.6363 12.6457 13.2706 13.2747 13.5051 13.5103 k = 0.3720 0.6032 0.1878 ( 2329 PWs) bands (ev): -17.6727 -17.6727 -16.4724 -16.4689 -15.2813 -15.2774 -15.2263 -15.2225 -6.0025 -5.9992 -5.1568 -5.1508 -3.6146 -3.6119 -3.2745 -3.2637 -0.8112 -0.8042 -0.1165 -0.1143 0.0989 0.1063 0.7615 0.7691 1.2722 1.2765 1.3565 1.3659 2.4852 2.4926 2.6253 2.6273 12.2969 12.3054 12.6367 12.6460 13.2998 13.3036 13.5371 13.5423 k = 0.3652 0.6105 0.1977 ( 2325 PWs) bands (ev): -17.6802 -17.6801 -16.4641 -16.4605 -15.2813 -15.2773 -15.2220 -15.2180 -6.0451 -6.0418 -5.1293 -5.1231 -3.6355 -3.6325 -3.2658 -3.2548 -0.8319 -0.8249 -0.1351 -0.1331 0.1225 0.1296 0.7697 0.7775 1.3066 1.3114 1.4056 1.4152 2.4618 2.4694 2.6181 2.6201 12.2621 12.2708 12.6379 12.6471 13.3291 13.3327 13.5678 13.5732 k = 0.3585 0.6177 0.2076 ( 2325 PWs) bands (ev): -17.6887 -17.6887 -16.4545 -16.4508 -15.2811 -15.2770 -15.2175 -15.2133 -6.0893 -6.0859 -5.1012 -5.0950 -3.6569 -3.6538 -3.2575 -3.2463 -0.8505 -0.8436 -0.1520 -0.1502 0.1472 0.1541 0.7779 0.7859 1.3365 1.3412 1.4575 1.4670 2.4375 2.4454 2.6108 2.6129 12.2276 12.2365 12.6398 12.6489 13.3584 13.3618 13.5970 13.6025 k = 0.3585 0.6177 0.2076 ( 2325 PWs) bands (ev): -17.6887 -17.6887 -16.4545 -16.4508 -15.2811 -15.2770 -15.2175 -15.2133 -6.0893 -6.0859 -5.1012 -5.0950 -3.6569 -3.6538 -3.2575 -3.2463 -0.8505 -0.8436 -0.1520 -0.1502 0.1472 0.1541 0.7779 0.7859 1.3365 1.3412 1.4575 1.4670 2.4375 2.4454 2.6108 2.6129 12.2276 12.2365 12.6398 12.6489 13.3584 13.3618 13.5970 13.6025 k = 0.3461 0.6137 0.2131 ( 2329 PWs) bands (ev): -17.6947 -17.6946 -16.4477 -16.4440 -15.2807 -15.2766 -15.2148 -15.2106 -6.1171 -6.1137 -5.0829 -5.0766 -3.6694 -3.6663 -3.2538 -3.2425 -0.8593 -0.8523 -0.1601 -0.1583 0.1617 0.1684 0.7806 0.7888 1.3526 1.3572 1.4876 1.4970 2.4239 2.4319 2.6067 2.6088 12.2090 12.2179 12.6412 12.6502 13.3731 13.3764 13.6121 13.6176 k = 0.3338 0.6097 0.2186 ( 2335 PWs) bands (ev): -17.7023 -17.7023 -16.4389 -16.4352 -15.2800 -15.2759 -15.2120 -15.2077 -6.1503 -6.1469 -5.0601 -5.0538 -3.6828 -3.6796 -3.2517 -3.2403 -0.8661 -0.8592 -0.1667 -0.1647 0.1773 0.1839 0.7798 0.7883 1.3697 1.3745 1.5191 1.5284 2.4104 2.4185 2.6024 2.6046 12.1911 12.2002 12.6428 12.6518 13.3850 13.3882 13.6258 13.6314 k = 0.3214 0.6057 0.2241 ( 2335 PWs) bands (ev): -17.7114 -17.7114 -16.4284 -16.4246 -15.2790 -15.2748 -15.2089 -15.2045 -6.1877 -6.1843 -5.0337 -5.0274 -3.6968 -3.6936 -3.2510 -3.2395 -0.8711 -0.8642 -0.1719 -0.1696 0.1940 0.2003 0.7758 0.7846 1.3876 1.3928 1.5515 1.5608 2.3973 2.4055 2.5979 2.6003 12.1742 12.1833 12.6447 12.6538 13.3940 13.3970 13.6384 13.6440 k = 0.3090 0.6016 0.2295 ( 2338 PWs) bands (ev): -17.7218 -17.7218 -16.4163 -16.4126 -15.2776 -15.2734 -15.2057 -15.2012 -6.2284 -6.2251 -5.0046 -4.9982 -3.7115 -3.7081 -3.2518 -3.2403 -0.8743 -0.8674 -0.1757 -0.1732 0.2116 0.2178 0.7690 0.7782 1.4060 1.4116 1.5844 1.5937 2.3847 2.3930 2.5933 2.5959 12.1582 12.1673 12.6471 12.6561 13.4001 13.4029 13.6500 13.6556 k = 0.2967 0.5976 0.2350 ( 2340 PWs) bands (ev): -17.7333 -17.7332 -16.4031 -16.3994 -15.2758 -15.2716 -15.2023 -15.1977 -6.2717 -6.2683 -4.9734 -4.9670 -3.7264 -3.7230 -3.2539 -3.2424 -0.8759 -0.8690 -0.1784 -0.1755 0.2302 0.2362 0.7597 0.7694 1.4244 1.4305 1.6174 1.6266 2.3731 2.3813 2.5888 2.5916 12.1432 12.1523 12.6498 12.6588 13.4034 13.4061 13.6607 13.6662 k = 0.2843 0.5936 0.2405 ( 2340 PWs) bands (ev): -17.7455 -17.7455 -16.3889 -16.3852 -15.2738 -15.2695 -15.1987 -15.1939 -6.3167 -6.3134 -4.9409 -4.9345 -3.7416 -3.7381 -3.2575 -3.2460 -0.8759 -0.8690 -0.1800 -0.1766 0.2498 0.2555 0.7485 0.7587 1.4423 1.4489 1.6501 1.6593 2.3625 2.3708 2.5843 2.5875 12.1293 12.1383 12.6530 12.6620 13.4041 13.4066 13.6704 13.6759 k = 0.2720 0.5896 0.2460 ( 2342 PWs) bands (ev): -17.7584 -17.7584 -16.3741 -16.3704 -15.2714 -15.2672 -15.1949 -15.1900 -6.3628 -6.3596 -4.9075 -4.9011 -3.7567 -3.7532 -3.2623 -3.2508 -0.8743 -0.8676 -0.1807 -0.1769 0.2701 0.2757 0.7357 0.7466 1.4591 1.4663 1.6821 1.6913 2.3534 2.3616 2.5800 2.5836 12.1164 12.1254 12.6567 12.6656 13.4023 13.4046 13.6793 13.6846 k = 0.2596 0.5856 0.2515 ( 2339 PWs) bands (ev): -17.7718 -17.7717 -16.3588 -16.3552 -15.2687 -15.2645 -15.1909 -15.1860 -6.4095 -6.4064 -4.8738 -4.8674 -3.7716 -3.7680 -3.2684 -3.2569 -0.8714 -0.8648 -0.1806 -0.1764 0.2911 0.2964 0.7220 0.7335 1.4744 1.4821 1.7132 1.7224 2.3460 2.3540 2.5761 2.5800 12.1046 12.1134 12.6608 12.6696 13.3983 13.4005 13.6872 13.6924 k = 0.2472 0.5816 0.2570 ( 2335 PWs) bands (ev): -17.7854 -17.7853 -16.3433 -16.3397 -15.2658 -15.2616 -15.1867 -15.1817 -6.4564 -6.4533 -4.8400 -4.8337 -3.7861 -3.7824 -3.2756 -3.2642 -0.8672 -0.8606 -0.1798 -0.1752 0.3124 0.3176 0.7078 0.7200 1.4875 1.4957 1.7431 1.7522 2.3404 2.3484 2.5727 2.5770 12.0939 12.1025 12.6653 12.6741 13.3924 13.3945 13.6942 13.6993 k = 0.2349 0.5776 0.2625 ( 2339 PWs) bands (ev): -17.7991 -17.7991 -16.3278 -16.3243 -15.2626 -15.2585 -15.1823 -15.1772 -6.5029 -6.5000 -4.8067 -4.8004 -3.7999 -3.7962 -3.2840 -3.2727 -0.8618 -0.8554 -0.1785 -0.1734 0.3338 0.3388 0.6937 0.7067 1.4979 1.5066 1.7715 1.7805 2.3369 2.3447 2.5699 2.5747 12.0842 12.0926 12.6703 12.6790 13.3847 13.3868 13.7003 13.7052 k = 0.2225 0.5735 0.2680 ( 2340 PWs) bands (ev): -17.8128 -17.8128 -16.3124 -16.3090 -15.2593 -15.2552 -15.1777 -15.1726 -6.5489 -6.5460 -4.7740 -4.7679 -3.8129 -3.8091 -3.2934 -3.2822 -0.8553 -0.8490 -0.1767 -0.1714 0.3546 0.3596 0.6806 0.6944 1.5053 1.5145 1.7984 1.8072 2.3354 2.3430 2.5681 2.5733 12.0756 12.0838 12.6757 12.6842 13.3757 13.3777 13.7054 13.7101 k = 0.2102 0.5695 0.2734 ( 2338 PWs) bands (ev): -17.8264 -17.8263 -16.2974 -16.2940 -15.2558 -15.2518 -15.1730 -15.1679 -6.5939 -6.5911 -4.7424 -4.7363 -3.8249 -3.8210 -3.3039 -3.2927 -0.8478 -0.8417 -0.1747 -0.1690 0.3742 0.3792 0.6692 0.6839 1.5092 1.5188 1.8236 1.8322 2.3358 2.3432 2.5674 2.5730 12.0680 12.0759 12.6815 12.6898 13.3655 13.3675 13.7096 13.7142 k = 0.1978 0.5655 0.2789 ( 2337 PWs) bands (ev): -17.8397 -17.8396 -16.2827 -16.2795 -15.2523 -15.2483 -15.1680 -15.1630 -6.6377 -6.6350 -4.7119 -4.7060 -3.8356 -3.8316 -3.3152 -3.3042 -0.8395 -0.8335 -0.1724 -0.1664 0.3915 0.3966 0.6609 0.6765 1.5095 1.5194 1.8472 1.8554 2.3377 2.3449 2.5681 2.5741 12.0614 12.0691 12.6875 12.6956 13.3543 13.3565 13.7130 13.7174 k = 0.1854 0.5615 0.2844 ( 2334 PWs) bands (ev): -17.8525 -17.8525 -16.2687 -16.2656 -15.2487 -15.2449 -15.1629 -15.1579 -6.6800 -6.6774 -4.6830 -4.6773 -3.8448 -3.8408 -3.3273 -3.3165 -0.8305 -0.8247 -0.1700 -0.1638 0.4054 0.4106 0.6572 0.6734 1.5059 1.5161 1.8693 1.8771 2.3407 2.3478 2.5705 2.5768 12.0558 12.0631 12.6937 12.7016 13.3425 13.3447 13.7155 13.7198 k = 0.1731 0.5575 0.2899 ( 2335 PWs) bands (ev): -17.8650 -17.8649 -16.2553 -16.2523 -15.2452 -15.2415 -15.1577 -15.1528 -6.7206 -6.7182 -4.6557 -4.6502 -3.8525 -3.8483 -3.3402 -3.3296 -0.8209 -0.8152 -0.1676 -0.1612 0.4147 0.4198 0.6593 0.6758 1.4985 1.5089 1.8898 1.8972 2.3444 2.3513 2.5747 2.5812 12.0512 12.0581 12.7000 12.7076 13.3302 13.3325 13.7174 13.7214 k = 0.1607 0.5535 0.2954 ( 2335 PWs) bands (ev): -17.8768 -17.8767 -16.2426 -16.2398 -15.2417 -15.2382 -15.1524 -15.1477 -6.7592 -6.7570 -4.6303 -4.6251 -3.8583 -3.8540 -3.3538 -3.3433 -0.8108 -0.8054 -0.1651 -0.1586 0.4188 0.4236 0.6681 0.6845 1.4874 1.4979 1.9090 1.9159 2.3481 2.3548 2.5809 2.5874 12.0474 12.0539 12.7063 12.7136 13.3176 13.3201 13.7187 13.7225 k = 0.1483 0.5494 0.3009 ( 2341 PWs) bands (ev): -17.8881 -17.8880 -16.2307 -16.2281 -15.2383 -15.2350 -15.1471 -15.1426 -6.7958 -6.7937 -4.6069 -4.6020 -3.8623 -3.8579 -3.3678 -3.3576 -0.8004 -0.7952 -0.1627 -0.1561 0.4179 0.4222 0.6835 0.6994 1.4729 1.4834 1.9269 1.9333 2.3514 2.3579 2.5889 2.5954 12.0444 12.0506 12.7125 12.7195 13.3050 13.3076 13.7195 13.7231 k = 0.1360 0.5454 0.3064 ( 2343 PWs) bands (ev): -17.8986 -17.8985 -16.2197 -16.2173 -15.2351 -15.2320 -15.1418 -15.1375 -6.8301 -6.8281 -4.5857 -4.5811 -3.8644 -3.8599 -3.3823 -3.3724 -0.7899 -0.7850 -0.1604 -0.1538 0.4129 0.4167 0.7046 0.7197 1.4551 1.4657 1.9435 1.9494 2.3542 2.3603 2.5986 2.6048 12.0422 12.0480 12.7185 12.7251 13.2925 13.2952 13.7199 13.7233 k = 0.1236 0.5414 0.3119 ( 2346 PWs) bands (ev): -17.9084 -17.9083 -16.2096 -16.2074 -15.2321 -15.2292 -15.1366 -15.1326 -6.8619 -6.8601 -4.5668 -4.5625 -3.8645 -3.8599 -3.3970 -3.3875 -0.7794 -0.7748 -0.1582 -0.1518 0.4049 0.4082 0.7300 0.7443 1.4345 1.4451 1.9589 1.9642 2.3562 2.3619 2.6096 2.6155 12.0407 12.0460 12.7242 12.7304 13.2804 13.2832 13.7200 13.7232 k = 0.1113 0.5374 0.3174 ( 2348 PWs) bands (ev): -17.9174 -17.9173 -16.2004 -16.1984 -15.2293 -15.2267 -15.1315 -15.1278 -6.8911 -6.8894 -4.5500 -4.5462 -3.8628 -3.8582 -3.4117 -3.4026 -0.7691 -0.7648 -0.1562 -0.1499 0.3951 0.3982 0.7585 0.7720 1.4114 1.4219 1.9731 1.9778 2.3574 2.3627 2.6215 2.6269 12.0398 12.0447 12.7295 12.7353 13.2688 13.2716 13.7200 13.7229 k = 0.0989 0.5334 0.3228 ( 2345 PWs) bands (ev): -17.9255 -17.9255 -16.1922 -16.1903 -15.2267 -15.2244 -15.1267 -15.1233 -6.9176 -6.9161 -4.5356 -4.5321 -3.8594 -3.8549 -3.4263 -3.4177 -0.7592 -0.7553 -0.1543 -0.1483 0.3845 0.3874 0.7893 0.8021 1.3862 1.3967 1.9860 1.9902 2.3580 2.3627 2.6337 2.6385 12.0394 12.0438 12.7344 12.7397 13.2580 13.2607 13.7198 13.7225 k = 0.0865 0.5294 0.3283 ( 2347 PWs) bands (ev): -17.9328 -17.9328 -16.1849 -16.1832 -15.2244 -15.2223 -15.1222 -15.1192 -6.9412 -6.9399 -4.5232 -4.5202 -3.8547 -3.8502 -3.4405 -3.4325 -0.7499 -0.7463 -0.1526 -0.1470 0.3738 0.3765 0.8214 0.8336 1.3594 1.3697 1.9975 2.0012 2.3580 2.3622 2.6458 2.6500 12.0394 12.0433 12.7388 12.7435 13.2481 13.2506 13.7196 13.7221 k = 0.0742 0.5253 0.3338 ( 2344 PWs) bands (ev): -17.9392 -17.9391 -16.1785 -16.1771 -15.2223 -15.2206 -15.1181 -15.1155 -6.9619 -6.9608 -4.5129 -4.5104 -3.8489 -3.8446 -3.4540 -3.4467 -0.7412 -0.7382 -0.1511 -0.1460 0.3637 0.3662 0.8543 0.8659 1.3314 1.3415 2.0077 2.0109 2.3577 2.3613 2.6572 2.6608 12.0398 12.0431 12.7426 12.7468 13.2392 13.2415 13.7195 13.7216 k = 0.0618 0.5213 0.3393 ( 2344 PWs) bands (ev): -17.9446 -17.9446 -16.1731 -16.1719 -15.2206 -15.2191 -15.1145 -15.1123 -6.9795 -6.9786 -4.5046 -4.5024 -3.8425 -3.8386 -3.4664 -3.4599 -0.7336 -0.7309 -0.1497 -0.1453 0.3545 0.3568 0.8873 0.8982 1.3028 1.3126 2.0165 2.0192 2.3572 2.3602 2.6676 2.6705 12.0403 12.0432 12.7459 12.7495 13.2315 13.2336 13.7193 13.7211 k = 0.0494 0.5173 0.3448 ( 2340 PWs) bands (ev): -17.9491 -17.9490 -16.1687 -16.1677 -15.2191 -15.2179 -15.1114 -15.1096 -6.9941 -6.9933 -4.4980 -4.4963 -3.8361 -3.8326 -3.4773 -3.4718 -0.7270 -0.7248 -0.1485 -0.1448 0.3466 0.3486 0.9196 0.9296 1.2745 1.2837 2.0238 2.0260 2.3566 2.3591 2.6765 2.6789 12.0410 12.0433 12.7486 12.7515 13.2251 13.2268 13.7193 13.7208 k = 0.0371 0.5133 0.3503 ( 2342 PWs) bands (ev): -17.9526 -17.9525 -16.1652 -16.1645 -15.2179 -15.2170 -15.1088 -15.1075 -7.0054 -7.0048 -4.4929 -4.4917 -3.8301 -3.8273 -3.4862 -3.4819 -0.7216 -0.7200 -0.1474 -0.1446 0.3403 0.3419 0.9500 0.9589 1.2476 1.2559 2.0296 2.0312 2.3561 2.3580 2.6839 2.6856 12.0417 12.0434 12.7508 12.7530 13.2200 13.2214 13.7193 13.7204 k = 0.0247 0.5093 0.3558 ( 2340 PWs) bands (ev): -17.9551 -17.9550 -16.1627 -16.1623 -15.2170 -15.2164 -15.1069 -15.1060 -7.0135 -7.0131 -4.4894 -4.4886 -3.8251 -3.8231 -3.4928 -3.4898 -0.7176 -0.7165 -0.1465 -0.1446 0.3358 0.3369 0.9768 0.9838 1.2244 1.2311 2.0339 2.0350 2.3558 2.3570 2.6893 2.6905 12.0423 12.0435 12.7524 12.7539 13.2165 13.2174 13.7193 13.7201 k = 0.0124 0.5053 0.3613 ( 2343 PWs) bands (ev): -17.9566 -17.9566 -16.1612 -16.1609 -15.2164 -15.2161 -15.1057 -15.1052 -7.0184 -7.0182 -4.4872 -4.4868 -3.8217 -3.8207 -3.4966 -3.4950 -0.7150 -0.7145 -0.1458 -0.1448 0.3331 0.3337 0.9968 1.0009 1.2083 1.2122 2.0366 2.0371 2.3557 2.3563 2.6928 2.6934 12.0428 12.0434 12.7536 12.7543 13.2144 13.2149 13.7195 13.7198 k = 0.0000 0.5013 0.3668 ( 2344 PWs) bands (ev): -17.9571 -17.9571 -16.1606 -16.1606 -15.2161 -15.2161 -15.1051 -15.1051 -7.0199 -7.0199 -4.4864 -4.4864 -3.8202 -3.8202 -3.4974 -3.4974 -0.7140 -0.7140 -0.1452 -0.1452 0.3324 0.3324 1.0058 1.0058 1.2037 1.2037 2.0376 2.0376 2.3558 2.3558 2.6941 2.6941 12.0432 12.0432 12.7542 12.7542 13.2139 13.2139 13.7196 13.7196 k = 0.0000 0.5013 0.3668 ( 2344 PWs) bands (ev): -17.9571 -17.9571 -16.1606 -16.1606 -15.2161 -15.2161 -15.1051 -15.1051 -7.0199 -7.0199 -4.4864 -4.4864 -3.8202 -3.8202 -3.4974 -3.4974 -0.7140 -0.7140 -0.1452 -0.1452 0.3324 0.3324 1.0058 1.0058 1.2037 1.2037 2.0376 2.0376 2.3558 2.3558 2.6941 2.6941 12.0432 12.0432 12.7542 12.7542 13.2139 13.2139 13.7196 13.7196 k = 0.0069 0.4938 0.3769 ( 2340 PWs) bands (ev): -17.9566 -17.9566 -16.1612 -16.1610 -15.2165 -15.2161 -15.1052 -15.1051 -7.0189 -7.0187 -4.4895 -4.4884 -3.8191 -3.8179 -3.4970 -3.4968 -0.7147 -0.7144 -0.1463 -0.1457 0.3320 0.3327 1.0069 1.0077 1.2041 1.2044 2.0365 2.0374 2.3558 2.3570 2.6936 2.6939 12.0442 12.0442 12.7541 12.7547 13.2112 13.2125 13.7198 13.7216 k = 0.0139 0.4863 0.3871 ( 2338 PWs) bands (ev): -17.9551 -17.9551 -16.1630 -16.1625 -15.2174 -15.2166 -15.1054 -15.1052 -7.0158 -7.0154 -4.4977 -4.4956 -3.8147 -3.8124 -3.4958 -3.4953 -0.7166 -0.7161 -0.1488 -0.1476 0.3314 0.3329 1.0109 1.0125 1.2055 1.2061 2.0340 2.0358 2.3567 2.3591 2.6922 2.6928 12.0471 12.0473 12.7545 12.7557 13.2046 13.2071 13.7219 13.7254 k = 0.0208 0.4789 0.3973 ( 2340 PWs) bands (ev): -17.9526 -17.9526 -16.1658 -16.1650 -15.2188 -15.2176 -15.1057 -15.1054 -7.0104 -7.0098 -4.5106 -4.5076 -3.8074 -3.8040 -3.4938 -3.4930 -0.7196 -0.7189 -0.1528 -0.1511 0.3308 0.3330 1.0178 1.0200 1.2079 1.2090 2.0303 2.0329 2.3587 2.3622 2.6901 2.6910 12.0521 12.0523 12.7552 12.7571 13.1945 13.1980 13.7258 13.7308 k = 0.0278 0.4714 0.4075 ( 2338 PWs) bands (ev): -17.9491 -17.9491 -16.1696 -16.1686 -15.2206 -15.2190 -15.1061 -15.1056 -7.0029 -7.0021 -4.5280 -4.5242 -3.7973 -3.7929 -3.4909 -3.4899 -0.7237 -0.7227 -0.1582 -0.1559 0.3302 0.3330 1.0273 1.0301 1.2115 1.2128 2.0253 2.0287 2.3617 2.3662 2.6872 2.6884 12.0590 12.0593 12.7563 12.7589 13.1813 13.1857 13.7308 13.7373 k = 0.0347 0.4640 0.4177 ( 2342 PWs) bands (ev): -17.9447 -17.9447 -16.1745 -16.1733 -15.2227 -15.2208 -15.1066 -15.1061 -6.9933 -6.9923 -4.5495 -4.5449 -3.7849 -3.7797 -3.4872 -3.4859 -0.7287 -0.7275 -0.1650 -0.1622 0.3296 0.3330 1.0391 1.0425 1.2160 1.2177 2.0191 2.0232 2.3656 2.3710 2.6835 2.6850 12.0678 12.0681 12.7577 12.7610 13.1655 13.1706 13.7365 13.7442 k = 0.0417 0.4565 0.4279 ( 2340 PWs) bands (ev): -17.9393 -17.9392 -16.1805 -16.1790 -15.2252 -15.2230 -15.1072 -15.1066 -6.9815 -6.9804 -4.5744 -4.5692 -3.7706 -3.7647 -3.4828 -3.4812 -0.7345 -0.7331 -0.1731 -0.1697 0.3292 0.3332 1.0529 1.0568 1.2217 1.2237 2.0120 2.0166 2.3703 2.3766 2.6791 2.6810 12.0786 12.0789 12.7594 12.7633 13.1478 13.1535 13.7422 13.7510 k = 0.0486 0.4491 0.4381 ( 2338 PWs) bands (ev): -17.9330 -17.9329 -16.1875 -16.1858 -15.2281 -15.2255 -15.1080 -15.1073 -6.9677 -6.9664 -4.6025 -4.5968 -3.7548 -3.7483 -3.4776 -3.4757 -0.7409 -0.7393 -0.1823 -0.1785 0.3290 0.3335 1.0683 1.0725 1.2285 1.2308 2.0040 2.0091 2.3758 2.3828 2.6740 2.6762 12.0911 12.0915 12.7612 12.7658 13.1288 13.1348 13.7473 13.7570 k = 0.0556 0.4416 0.4483 ( 2344 PWs) bands (ev): -17.9257 -17.9256 -16.1956 -16.1937 -15.2311 -15.2282 -15.1088 -15.1081 -6.9519 -6.9504 -4.6334 -4.6272 -3.7379 -3.7309 -3.4718 -3.4697 -0.7478 -0.7460 -0.1927 -0.1883 0.3292 0.3341 1.0848 1.0890 1.2364 1.2391 1.9953 2.0007 2.3819 2.3896 2.6682 2.6709 12.1054 12.1058 12.7629 12.7684 13.1089 13.1152 13.7513 13.7617 k = 0.0625 0.4342 0.4584 ( 2344 PWs) bands (ev): -17.9176 -17.9175 -16.2047 -16.2025 -15.2343 -15.2311 -15.1098 -15.1090 -6.9341 -6.9324 -4.6666 -4.6601 -3.7203 -3.7129 -3.4654 -3.4630 -0.7550 -0.7530 -0.2041 -0.1993 0.3299 0.3351 1.1018 1.1059 1.2456 1.2488 1.9861 1.9918 2.3885 2.3967 2.6619 2.6650 12.1213 12.1219 12.7646 12.7709 13.0888 13.0953 13.7537 13.7647 k = 0.0694 0.4267 0.4686 ( 2346 PWs) bands (ev): -17.9086 -17.9085 -16.2148 -16.2125 -15.2377 -15.2342 -15.1109 -15.1101 -6.9144 -6.9125 -4.7020 -4.6952 -3.7022 -3.6944 -3.4585 -3.4559 -0.7622 -0.7600 -0.2163 -0.2111 0.3310 0.3365 1.1185 1.1223 1.2562 1.2599 1.9766 1.9826 2.3955 2.4041 2.6551 2.6585 12.1389 12.1395 12.7660 12.7731 13.0689 13.0754 13.7540 13.7656 k = 0.0764 0.4193 0.4788 ( 2346 PWs) bands (ev): -17.8987 -17.8986 -16.2259 -16.2234 -15.2411 -15.2373 -15.1122 -15.1114 -6.8927 -6.8907 -4.7392 -4.7322 -3.6839 -3.6758 -3.4513 -3.4483 -0.7694 -0.7670 -0.2294 -0.2238 0.3327 0.3385 1.1344 1.1375 1.2683 1.2727 1.9672 1.9733 2.4027 2.4116 2.6477 2.6517 12.1579 12.1586 12.7669 12.7750 13.0497 13.0561 13.7520 13.7640 k = 0.0833 0.4118 0.4890 ( 2338 PWs) bands (ev): -17.8881 -17.8880 -16.2380 -16.2353 -15.2445 -15.2405 -15.1136 -15.1128 -6.8693 -6.8670 -4.7779 -4.7708 -3.6655 -3.6572 -3.4436 -3.4403 -0.7762 -0.7736 -0.2432 -0.2372 0.3351 0.3410 1.1486 1.1510 1.2820 1.2873 1.9582 1.9644 2.4098 2.4190 2.6401 2.6445 12.1783 12.1790 12.7672 12.7763 13.0315 13.0378 13.7474 13.7598 k = 0.0903 0.4044 0.4992 ( 2344 PWs) bands (ev): -17.8767 -17.8766 -16.2510 -16.2481 -15.2479 -15.2436 -15.1151 -15.1144 -6.8441 -6.8417 -4.8181 -4.8108 -3.6473 -3.6388 -3.4357 -3.4322 -0.7826 -0.7799 -0.2575 -0.2512 0.3381 0.3442 1.1606 1.1622 1.2972 1.3035 1.9500 1.9563 2.4168 2.4262 2.6321 2.6370 12.1999 12.2007 12.7666 12.7768 13.0146 13.0209 13.7401 13.7527 k = 0.0972 0.3969 0.5094 ( 2340 PWs) bands (ev): -17.8646 -17.8645 -16.2648 -16.2618 -15.2512 -15.2467 -15.1168 -15.1161 -6.8171 -6.8146 -4.8596 -4.8522 -3.6293 -3.6206 -3.4277 -3.4239 -0.7884 -0.7854 -0.2724 -0.2658 0.3419 0.3481 1.1699 1.1708 1.3138 1.3210 1.9430 1.9493 2.4234 2.4329 2.6239 2.6295 12.2227 12.2236 12.7651 12.7763 12.9996 13.0057 13.7301 13.7430 k = 0.1042 0.3894 0.5196 ( 2340 PWs) bands (ev): -17.8519 -17.8518 -16.2795 -16.2764 -15.2543 -15.2497 -15.1186 -15.1179 -6.7886 -6.7859 -4.9021 -4.8947 -3.6117 -3.6028 -3.4196 -3.4155 -0.7934 -0.7902 -0.2876 -0.2808 0.3466 0.3529 1.1759 1.1768 1.3313 1.3394 1.9375 1.9440 2.4295 2.4390 2.6157 2.6219 12.2464 12.2474 12.7626 12.7747 12.9864 12.9926 13.7175 13.7305 k = 0.1111 0.3820 0.5298 ( 2346 PWs) bands (ev): -17.8386 -17.8385 -16.2949 -16.2917 -15.2573 -15.2525 -15.1205 -15.1199 -6.7585 -6.7557 -4.9457 -4.9382 -3.5945 -3.5856 -3.4115 -3.4071 -0.7975 -0.7941 -0.3033 -0.2961 0.3520 0.3584 1.1786 1.1800 1.3493 1.3582 1.9341 1.9407 2.4348 2.4444 2.6076 2.6144 12.2710 12.2720 12.7590 12.7720 12.9754 12.9816 13.7022 13.7153 k = 0.1181 0.3745 0.5399 ( 2348 PWs) bands (ev): -17.8248 -17.8247 -16.3110 -16.3077 -15.2601 -15.2551 -15.1226 -15.1220 -6.7269 -6.7239 -4.9901 -4.9825 -3.5779 -3.5688 -3.4035 -3.3989 -0.8005 -0.7969 -0.3191 -0.3118 0.3584 0.3648 1.1782 1.1800 1.3674 1.3768 1.9331 1.9399 2.4391 2.4487 2.5997 2.6072 12.2961 12.2973 12.7545 12.7683 12.9663 12.9726 13.6847 13.6979 k = 0.1250 0.3671 0.5501 ( 2344 PWs) bands (ev): -17.8105 -17.8104 -16.3277 -16.3243 -15.2627 -15.2576 -15.1247 -15.1241 -6.6939 -6.6908 -5.0352 -5.0277 -3.5618 -3.5527 -3.3957 -3.3908 -0.8024 -0.7985 -0.3351 -0.3276 0.3658 0.3722 1.1745 1.1767 1.3851 1.3950 1.9349 1.9419 2.4424 2.4518 2.5922 2.6003 12.3218 12.3231 12.7493 12.7637 12.9593 12.9657 13.6650 13.6782 k = 0.1319 0.3596 0.5603 ( 2346 PWs) bands (ev): -17.7959 -17.7958 -16.3449 -16.3414 -15.2650 -15.2597 -15.1269 -15.1264 -6.6595 -6.6563 -5.0811 -5.0735 -3.5463 -3.5372 -3.3882 -3.3830 -0.8031 -0.7990 -0.3513 -0.3436 0.3742 0.3806 1.1676 1.1700 1.4022 1.4123 1.9395 1.9469 2.4444 2.4537 2.5851 2.5938 12.3478 12.3492 12.7437 12.7585 12.9539 12.9604 13.6434 13.6567 k = 0.1389 0.3522 0.5705 ( 2344 PWs) bands (ev): -17.7810 -17.7809 -16.3624 -16.3588 -15.2670 -15.2617 -15.1292 -15.1287 -6.6239 -6.6206 -5.1275 -5.1199 -3.5315 -3.5223 -3.3810 -3.3756 -0.8025 -0.7981 -0.3676 -0.3597 0.3836 0.3901 1.1573 1.1600 1.4185 1.4286 1.9471 1.9548 2.4451 2.4543 2.5786 2.5878 12.3738 12.3754 12.7379 12.7530 12.9501 12.9567 13.6203 13.6335 k = 0.1458 0.3447 0.5807 ( 2348 PWs) bands (ev): -17.7659 -17.7658 -16.3802 -16.3766 -15.2688 -15.2634 -15.1315 -15.1311 -6.5870 -6.5836 -5.1744 -5.1668 -3.5173 -3.5082 -3.3743 -3.3686 -0.8006 -0.7959 -0.3838 -0.3759 0.3942 0.4006 1.1438 1.1465 1.4339 1.4440 1.9575 1.9656 2.4446 2.4535 2.5726 2.5823 12.3997 12.4015 12.7324 12.7475 12.9474 12.9541 13.5959 13.6091 k = 0.1528 0.3373 0.5909 ( 2350 PWs) bands (ev): -17.7507 -17.7506 -16.3981 -16.3944 -15.2703 -15.2648 -15.1339 -15.1336 -6.5491 -6.5456 -5.2217 -5.2142 -3.5038 -3.4948 -3.3680 -3.3621 -0.7974 -0.7924 -0.4001 -0.3921 0.4059 0.4123 1.1271 1.1299 1.4485 1.4583 1.9705 1.9789 2.4429 2.4515 2.5670 2.5770 12.4253 12.4273 12.7274 12.7424 12.9456 12.9524 13.5706 13.5837 k = 0.1597 0.3298 0.6011 ( 2352 PWs) bands (ev): -17.7356 -17.7356 -16.4160 -16.4122 -15.2716 -15.2660 -15.1363 -15.1360 -6.5101 -6.5065 -5.2694 -5.2619 -3.4911 -3.4821 -3.3622 -3.3562 -0.7929 -0.7876 -0.4164 -0.4083 0.4187 0.4252 1.1075 1.1103 1.4622 1.4716 1.9857 1.9944 2.4403 2.4485 2.5618 2.5719 12.4503 12.4525 12.7231 12.7379 12.9445 12.9514 13.5446 13.5576 k = 0.1667 0.3224 0.6113 ( 2356 PWs) bands (ev): -17.7207 -17.7206 -16.4336 -16.4298 -15.2726 -15.2670 -15.1387 -15.1384 -6.4702 -6.4665 -5.3173 -5.3098 -3.4790 -3.4701 -3.3570 -3.3508 -0.7871 -0.7815 -0.4326 -0.4245 0.4328 0.4393 1.0852 1.0880 1.4750 1.4840 2.0026 2.0116 2.4370 2.4448 2.5567 2.5669 12.4746 12.4770 12.7196 12.7341 12.9440 12.9511 13.5183 13.5311 k = 0.1736 0.3149 0.6214 ( 2356 PWs) bands (ev): -17.7061 -17.7061 -16.4508 -16.4470 -15.2734 -15.2677 -15.1410 -15.1408 -6.4293 -6.4256 -5.3654 -5.3579 -3.4677 -3.4589 -3.3523 -3.3460 -0.7802 -0.7742 -0.4487 -0.4406 0.4482 0.4547 1.0605 1.0633 1.4870 1.4956 2.0207 2.0299 2.4334 2.4408 2.5515 2.5616 12.4978 12.5006 12.7170 12.7309 12.9439 12.9512 13.4920 13.5045 k = 0.1806 0.3075 0.6316 ( 2358 PWs) bands (ev): -17.6920 -17.6920 -16.4675 -16.4637 -15.2740 -15.2683 -15.1433 -15.1431 -6.3877 -6.3840 -5.4136 -5.4062 -3.4571 -3.4485 -3.3483 -3.3419 -0.7722 -0.7657 -0.4647 -0.4566 0.4649 0.4714 1.0338 1.0365 1.4983 1.5063 2.0395 2.0488 2.4297 2.4368 2.5461 2.5559 12.5199 12.5231 12.7152 12.7284 12.9444 12.9519 13.4660 13.4781 k = 0.1875 0.3000 0.6418 ( 2360 PWs) bands (ev): -17.6785 -17.6785 -16.4835 -16.4796 -15.2744 -15.2686 -15.1454 -15.1453 -6.3455 -6.3417 -5.4618 -5.4544 -3.4473 -3.4389 -3.3448 -3.3384 -0.7631 -0.7562 -0.4806 -0.4726 0.4828 0.4894 1.0055 1.0081 1.5087 1.5163 2.0584 2.0677 2.4264 2.4332 2.5402 2.5498 12.5406 12.5444 12.7140 12.7264 12.9454 12.9532 13.4406 13.4523 k = 0.1944 0.2925 0.6520 ( 2364 PWs) bands (ev): -17.6658 -17.6658 -16.4985 -16.4946 -15.2747 -15.2689 -15.1475 -15.1474 -6.3027 -6.2989 -5.5100 -5.5024 -3.4382 -3.4300 -3.3419 -3.3355 -0.7532 -0.7457 -0.4963 -0.4883 0.5021 0.5088 0.9759 0.9783 1.5183 1.5253 2.0769 2.0862 2.4237 2.4303 2.5338 2.5430 12.5599 12.5644 12.7132 12.7247 12.9470 12.9550 13.4162 13.4274 k = 0.2014 0.2851 0.6622 ( 2362 PWs) bands (ev): -17.6541 -17.6540 -16.5123 -16.5084 -15.2748 -15.2690 -15.1494 -15.1493 -6.2595 -6.2557 -5.5578 -5.5502 -3.4300 -3.4221 -3.3396 -3.3332 -0.7425 -0.7345 -0.5118 -0.5039 0.5225 0.5294 0.9453 0.9477 1.5270 1.5335 2.0945 2.1036 2.4220 2.4285 2.5267 2.5355 12.5776 12.5830 12.7125 12.7228 12.9492 12.9575 13.3932 13.4036 k = 0.2083 0.2776 0.6724 ( 2360 PWs) bands (ev): -17.6435 -17.6434 -16.5248 -16.5208 -15.2748 -15.2690 -15.1512 -15.1511 -6.2162 -6.2124 -5.6051 -5.5975 -3.4226 -3.4150 -3.3377 -3.3315 -0.7314 -0.7226 -0.5270 -0.5191 0.5441 0.5514 0.9142 0.9165 1.5348 1.5408 2.1108 2.1195 2.4214 2.4279 2.5192 2.5275 12.5938 12.6004 12.7115 12.7204 12.9520 12.9607 13.3719 13.3815 k = 0.2153 0.2702 0.6826 ( 2362 PWs) bands (ev): -17.6341 -17.6341 -16.5357 -16.5318 -15.2748 -15.2689 -15.1527 -15.1526 -6.1730 -6.1694 -5.6517 -5.6439 -3.4161 -3.4090 -3.3363 -3.3303 -0.7200 -0.7104 -0.5418 -0.5338 0.5667 0.5744 0.8830 0.8853 1.5415 1.5471 2.1252 2.1335 2.4221 2.4288 2.5111 2.5189 12.6084 12.6166 12.7099 12.7173 12.9554 12.9643 13.3528 13.3613 k = 0.2222 0.2627 0.6928 ( 2364 PWs) bands (ev): -17.6263 -17.6262 -16.5450 -16.5410 -15.2747 -15.2688 -15.1540 -15.1539 -6.1306 -6.1271 -5.6969 -5.6889 -3.4106 -3.4039 -3.3353 -3.3295 -0.7086 -0.6980 -0.5561 -0.5478 0.5901 0.5984 0.8521 0.8545 1.5472 1.5523 2.1375 2.1452 2.4241 2.4312 2.5028 2.5101 12.6215 12.6315 12.7076 12.7132 12.9591 12.9681 13.3364 13.3436 k = 0.2292 0.2553 0.7029 ( 2366 PWs) bands (ev): -17.6200 -17.6199 -16.5523 -16.5484 -15.2746 -15.2687 -15.1550 -15.1550 -6.0899 -6.0868 -5.7397 -5.7313 -3.4061 -3.3999 -3.3345 -3.3291 -0.6979 -0.6860 -0.5693 -0.5606 0.6135 0.6228 0.8220 0.8250 1.5516 1.5564 2.1474 2.1545 2.4272 2.4349 2.4945 2.5013 12.6329 12.6452 12.7046 12.7080 12.9627 12.9717 13.3231 13.3288 k = 0.2361 0.2478 0.7131 ( 2364 PWs) bands (ev): -17.6154 -17.6154 -16.5577 -16.5537 -15.2745 -15.2686 -15.1558 -15.1557 -6.0531 -6.0505 -5.7780 -5.7691 -3.4028 -3.3970 -3.3341 -3.3288 -0.6887 -0.6752 -0.5809 -0.5713 0.6358 0.6468 0.7940 0.7983 1.5549 1.5594 2.1546 2.1611 2.4309 2.4396 2.4869 2.4934 12.6421 12.6576 12.7009 12.7020 12.9658 12.9748 13.3134 13.3175 k = 0.2431 0.2404 0.7233 ( 2366 PWs) bands (ev): -17.6126 -17.6126 -16.5610 -16.5570 -15.2745 -15.2686 -15.1562 -15.1562 -6.0249 -6.0230 -5.8071 -5.7975 -3.4008 -3.3953 -3.3338 -3.3288 -0.6821 -0.6671 -0.5894 -0.5788 0.6539 0.6675 0.7708 0.7775 1.5569 1.5612 2.1590 2.1650 2.4340 2.4439 2.4809 2.4875 12.6485 12.6680 12.6947 12.6986 12.9679 12.9768 13.3078 13.3101 k = 0.2500 0.2329 0.7335 ( 2352 PWs) bands (ev): -17.6117 -17.6116 -16.5621 -16.5581 -15.2744 -15.2686 -15.1564 -15.1564 -6.0136 -6.0121 -5.8187 -5.8087 -3.4001 -3.3947 -3.3337 -3.3288 -0.6797 -0.6640 -0.5927 -0.5815 0.6615 0.6769 0.7605 0.7689 1.5575 1.5618 2.1605 2.1663 2.4354 2.4459 2.4784 2.4852 12.6509 12.6732 12.6907 12.6974 12.9687 12.9775 13.3063 13.3073 k = 0.2500 0.2329 0.7335 ( 2352 PWs) bands (ev): -17.6117 -17.6116 -16.5621 -16.5581 -15.2744 -15.2686 -15.1564 -15.1564 -6.0136 -6.0121 -5.8187 -5.8087 -3.4001 -3.3947 -3.3337 -3.3288 -0.6797 -0.6640 -0.5927 -0.5815 0.6615 0.6769 0.7605 0.7689 1.5575 1.5618 2.1605 2.1663 2.4354 2.4459 2.4784 2.4852 12.6509 12.6732 12.6907 12.6974 12.9687 12.9775 13.3063 13.3073 k = 0.2576 0.2400 0.7239 ( 2362 PWs) bands (ev): -17.6121 -17.6120 -16.5616 -16.5576 -15.2744 -15.2686 -15.1563 -15.1563 -6.0188 -6.0171 -5.8136 -5.8039 -3.3999 -3.3945 -3.3334 -3.3285 -0.6808 -0.6655 -0.5911 -0.5803 0.6570 0.6714 0.7647 0.7721 1.5577 1.5620 2.1597 2.1656 2.4351 2.4452 2.4801 2.4867 12.6502 12.6709 12.6926 12.6977 12.9684 12.9772 13.3079 13.3095 k = 0.2652 0.2470 0.7142 ( 2363 PWs) bands (ev): -17.6132 -17.6132 -16.5603 -16.5564 -15.2744 -15.2686 -15.1561 -15.1561 -6.0324 -6.0304 -5.8004 -5.7910 -3.3994 -3.3938 -3.3326 -3.3277 -0.6846 -0.6705 -0.5859 -0.5760 0.6444 0.6568 0.7753 0.7809 1.5584 1.5627 2.1578 2.1637 2.4337 2.4428 2.4852 2.4915 12.6481 12.6656 12.6970 12.6989 12.9675 12.9764 13.3129 13.3156 k = 0.2727 0.2541 0.7046 ( 2367 PWs) bands (ev): -17.6149 -17.6149 -16.5583 -16.5544 -15.2745 -15.2686 -15.1558 -15.1557 -6.0510 -6.0486 -5.7822 -5.7733 -3.3983 -3.3926 -3.3315 -3.3264 -0.6912 -0.6786 -0.5773 -0.5685 0.6256 0.6361 0.7889 0.7929 1.5596 1.5640 2.1548 2.1609 2.4309 2.4387 2.4933 2.4995 12.6447 12.6590 12.7010 12.7026 12.9662 12.9751 13.3212 13.3248 k = 0.2803 0.2611 0.6949 ( 2363 PWs) bands (ev): -17.6171 -17.6171 -16.5558 -16.5519 -15.2745 -15.2687 -15.1554 -15.1553 -6.0721 -6.0693 -5.7615 -5.7530 -3.3967 -3.3908 -3.3299 -3.3248 -0.7002 -0.6891 -0.5659 -0.5582 0.6026 0.6118 0.8030 0.8061 1.5614 1.5659 2.1513 2.1574 2.4268 2.4337 2.5037 2.5099 12.6402 12.6517 12.7044 12.7088 12.9647 12.9736 13.3322 13.3366 k = 0.2879 0.2682 0.6853 ( 2359 PWs) bands (ev): -17.6197 -17.6196 -16.5528 -16.5490 -15.2745 -15.2688 -15.1550 -15.1548 -6.0938 -6.0908 -5.7399 -5.7318 -3.3945 -3.3885 -3.3280 -3.3230 -0.7110 -0.7012 -0.5525 -0.5456 0.5766 0.5848 0.8164 0.8191 1.5638 1.5684 2.1474 2.1537 2.4220 2.4280 2.5155 2.5219 12.6347 12.6440 12.7090 12.7157 12.9633 12.9722 13.3453 13.3504 k = 0.2955 0.2753 0.6756 ( 2359 PWs) bands (ev): -17.6224 -17.6224 -16.5496 -16.5458 -15.2746 -15.2689 -15.1546 -15.1543 -6.1151 -6.1121 -5.7184 -5.7105 -3.3918 -3.3856 -3.3259 -3.3208 -0.7229 -0.7142 -0.5377 -0.5312 0.5485 0.5560 0.8284 0.8310 1.5669 1.5715 2.1436 2.1499 2.4165 2.4220 2.5282 2.5347 12.6284 12.6360 12.7148 12.7233 12.9621 12.9711 13.3602 13.3658 k = 0.3030 0.2823 0.6660 ( 2355 PWs) bands (ev): -17.6253 -17.6253 -16.5462 -16.5425 -15.2747 -15.2691 -15.1542 -15.1538 -6.1355 -6.1324 -5.6974 -5.6897 -3.3886 -3.3821 -3.3236 -3.3185 -0.7355 -0.7277 -0.5217 -0.5157 0.5189 0.5258 0.8385 0.8413 1.5706 1.5752 2.1401 2.1463 2.4107 2.4158 2.5412 2.5479 12.6215 12.6279 12.7215 12.7315 12.9615 12.9704 13.3764 13.3824 k = 0.3106 0.2894 0.6563 ( 2349 PWs) bands (ev): -17.6283 -17.6282 -16.5428 -16.5391 -15.2748 -15.2693 -15.1539 -15.1534 -6.1544 -6.1512 -5.6773 -5.6699 -3.3849 -3.3782 -3.3211 -3.3160 -0.7485 -0.7413 -0.5051 -0.4994 0.4882 0.4947 0.8464 0.8496 1.5749 1.5795 2.1370 2.1432 2.4046 2.4094 2.5542 2.5609 12.6144 12.6198 12.7292 12.7402 12.9614 12.9704 13.3934 13.3998 k = 0.3182 0.2964 0.6467 ( 2349 PWs) bands (ev): -17.6312 -17.6311 -16.5394 -16.5357 -15.2749 -15.2695 -15.1537 -15.1530 -6.1715 -6.1683 -5.6583 -5.6511 -3.3809 -3.3740 -3.3184 -3.3133 -0.7614 -0.7548 -0.4880 -0.4826 0.4569 0.4630 0.8520 0.8554 1.5798 1.5843 2.1345 2.1406 2.3984 2.4031 2.5666 2.5734 12.6071 12.6118 12.7375 12.7493 12.9619 12.9710 13.4112 13.4178 k = 0.3258 0.3035 0.6370 ( 2348 PWs) bands (ev): -17.6339 -17.6339 -16.5361 -16.5325 -15.2750 -15.2697 -15.1536 -15.1528 -6.1865 -6.1834 -5.6407 -5.6337 -3.3765 -3.3694 -3.3157 -3.3106 -0.7741 -0.7680 -0.4709 -0.4657 0.4255 0.4312 0.8551 0.8588 1.5853 1.5896 2.1326 2.1386 2.3922 2.3969 2.5783 2.5851 12.5998 12.6041 12.7462 12.7586 12.9631 12.9723 13.4293 13.4362 k = 0.3333 0.3106 0.6274 ( 2346 PWs) bands (ev): -17.6364 -17.6364 -16.5330 -16.5295 -15.2751 -15.2700 -15.1537 -15.1527 -6.1992 -6.1961 -5.6245 -5.6176 -3.3720 -3.3645 -3.3129 -3.3077 -0.7863 -0.7805 -0.4541 -0.4492 0.3944 0.3997 0.8555 0.8595 1.5912 1.5954 2.1315 2.1374 2.3861 2.3907 2.5890 2.5959 12.5928 12.5967 12.7552 12.7679 12.9648 12.9742 13.4478 13.4549 k = 0.3409 0.3176 0.6177 ( 2347 PWs) bands (ev): -17.6387 -17.6387 -16.5302 -16.5267 -15.2753 -15.2702 -15.1541 -15.1529 -6.2094 -6.2064 -5.6099 -5.6031 -3.3673 -3.3595 -3.3100 -3.3048 -0.7977 -0.7923 -0.4379 -0.4333 0.3641 0.3691 0.8533 0.8576 1.5974 1.6014 2.1310 2.1368 2.3801 2.3848 2.5984 2.6054 12.5862 12.5897 12.7641 12.7770 12.9670 12.9765 13.4665 13.4738 k = 0.3485 0.3247 0.6081 ( 2346 PWs) bands (ev): -17.6407 -17.6406 -16.5277 -16.5243 -15.2754 -15.2705 -15.1546 -15.1532 -6.2170 -6.2141 -5.5968 -5.5902 -3.3626 -3.3545 -3.3072 -3.3018 -0.8083 -0.8030 -0.4228 -0.4186 0.3351 0.3398 0.8486 0.8532 1.6039 1.6077 2.1312 2.1368 2.3742 2.3791 2.6064 2.6135 12.5799 12.5831 12.7728 12.7856 12.9695 12.9791 13.4854 13.4928 k = 0.3561 0.3317 0.5985 ( 2347 PWs) bands (ev): -17.6422 -17.6422 -16.5256 -16.5222 -15.2755 -15.2707 -15.1555 -15.1539 -6.2218 -6.2190 -5.5855 -5.5790 -3.3580 -3.3496 -3.3043 -3.2988 -0.8178 -0.8127 -0.4092 -0.4055 0.3080 0.3123 0.8414 0.8462 1.6105 1.6140 2.1320 2.1374 2.3686 2.3737 2.6129 2.6201 12.5741 12.5771 12.7811 12.7936 12.9721 12.9818 13.5046 13.5121 k = 0.3636 0.3388 0.5888 ( 2348 PWs) bands (ev): -17.6434 -17.6434 -16.5238 -16.5205 -15.2756 -15.2710 -15.1566 -15.1548 -6.2239 -6.2211 -5.5758 -5.5695 -3.3535 -3.3448 -3.3015 -3.2959 -0.8261 -0.8211 -0.3978 -0.3945 0.2834 0.2874 0.8318 0.8369 1.6170 1.6203 2.1333 2.1385 2.3632 2.3687 2.6178 2.6251 12.5689 12.5717 12.7888 12.8009 12.9747 12.9843 13.5239 13.5314 k = 0.3712 0.3458 0.5792 ( 2342 PWs) bands (ev): -17.6442 -17.6442 -16.5225 -16.5193 -15.2757 -15.2712 -15.1580 -15.1559 -6.2230 -6.2204 -5.5679 -5.5617 -3.3494 -3.3403 -3.2988 -3.2930 -0.8330 -0.8281 -0.3889 -0.3862 0.2620 0.2657 0.8200 0.8254 1.6233 1.6265 2.1349 2.1400 2.3582 2.3640 2.6211 2.6285 12.5641 12.5669 12.7958 12.8072 12.9771 12.9866 13.5434 13.5509 k = 0.3788 0.3529 0.5695 ( 2340 PWs) bands (ev): -17.6446 -17.6446 -16.5216 -16.5184 -15.2758 -15.2714 -15.1597 -15.1574 -6.2192 -6.2166 -5.5618 -5.5557 -3.3455 -3.3363 -3.2961 -3.2902 -0.8386 -0.8337 -0.3833 -0.3812 0.2442 0.2478 0.8063 0.8118 1.6293 1.6323 2.1367 2.1416 2.3536 2.3597 2.6227 2.6303 12.5598 12.5626 12.8018 12.8123 12.9792 12.9886 13.5629 13.5705 k = 0.3864 0.3600 0.5599 ( 2342 PWs) bands (ev): -17.6445 -17.6445 -16.5212 -16.5180 -15.2758 -15.2716 -15.1617 -15.1592 -6.2125 -6.2099 -5.5575 -5.5515 -3.3422 -3.3327 -3.2935 -3.2875 -0.8426 -0.8376 -0.3813 -0.3797 0.2307 0.2343 0.7907 0.7964 1.6347 1.6377 2.1384 2.1433 2.3494 2.3558 2.6227 2.6304 12.5560 12.5588 12.8066 12.8161 12.9813 12.9903 13.5823 13.5898 k = 0.3939 0.3670 0.5502 ( 2343 PWs) bands (ev): -17.6441 -17.6440 -16.5212 -16.5180 -15.2759 -15.2718 -15.1640 -15.1612 -6.2027 -6.2002 -5.5550 -5.5491 -3.3393 -3.3298 -3.2909 -3.2849 -0.8450 -0.8400 -0.3835 -0.3819 0.2219 0.2256 0.7735 0.7794 1.6396 1.6426 2.1398 2.1447 2.3457 2.3525 2.6212 2.6291 12.5525 12.5555 12.8099 12.8182 12.9833 12.9920 13.6014 13.6088 k = 0.4015 0.3741 0.5406 ( 2343 PWs) bands (ev): -17.6432 -17.6431 -16.5216 -16.5184 -15.2759 -15.2720 -15.1666 -15.1636 -6.1900 -6.1876 -5.5543 -5.5485 -3.3370 -3.3275 -3.2886 -3.2826 -0.8457 -0.8406 -0.3900 -0.3880 0.2178 0.2219 0.7549 0.7609 1.6437 1.6467 2.1406 2.1457 2.3425 2.3497 2.6183 2.6264 12.5494 12.5525 12.8115 12.8186 12.9857 12.9939 13.6198 13.6271 k = 0.4091 0.3811 0.5309 ( 2340 PWs) bands (ev): -17.6420 -17.6419 -16.5224 -16.5192 -15.2758 -15.2721 -15.1694 -15.1661 -6.1744 -6.1720 -5.5555 -5.5497 -3.3353 -3.3260 -3.2864 -3.2805 -0.8448 -0.8394 -0.4004 -0.3977 0.2185 0.2230 0.7350 0.7412 1.6469 1.6501 2.1405 2.1458 2.3400 2.3476 2.6142 2.6225 12.5466 12.5500 12.8111 12.8170 12.9888 12.9965 13.6371 13.6444 k = 0.4167 0.3882 0.5213 ( 2342 PWs) bands (ev): -17.6404 -17.6403 -16.5235 -16.5203 -15.2758 -15.2722 -15.1724 -15.1689 -6.1560 -6.1535 -5.5584 -5.5526 -3.3343 -3.3251 -3.2844 -3.2787 -0.8422 -0.8366 -0.4143 -0.4109 0.2236 0.2286 0.7142 0.7205 1.6492 1.6525 2.1390 2.1447 2.3383 2.3462 2.6091 2.6176 12.5439 12.5476 12.8083 12.8134 12.9927 13.0002 13.6531 13.6603 k = 0.4242 0.3952 0.5116 ( 2338 PWs) bands (ev): -17.6385 -17.6385 -16.5250 -16.5218 -15.2757 -15.2724 -15.1756 -15.1719 -6.1347 -6.1323 -5.5630 -5.5572 -3.3339 -3.3250 -3.2829 -3.2773 -0.8379 -0.8320 -0.4310 -0.4269 0.2328 0.2382 0.6925 0.6988 1.6506 1.6540 2.1358 2.1420 2.3375 2.3458 2.6032 2.6120 12.5414 12.5454 12.8030 12.8079 12.9979 13.0053 13.6671 13.6743 k = 0.4318 0.4023 0.5020 ( 2338 PWs) bands (ev): -17.6365 -17.6364 -16.5266 -16.5234 -15.2756 -15.2725 -15.1790 -15.1751 -6.1109 -6.1085 -5.5694 -5.5635 -3.3341 -3.3256 -3.2817 -3.2764 -0.8320 -0.8257 -0.4499 -0.4451 0.2454 0.2512 0.6701 0.6765 1.6509 1.6545 2.1304 2.1371 2.3377 2.3463 2.5969 2.6059 12.5389 12.5432 12.7956 12.8008 13.0044 13.0118 13.6790 13.6861 k = 0.4394 0.4094 0.4923 ( 2332 PWs) bands (ev): -17.6342 -17.6342 -16.5285 -16.5252 -15.2755 -15.2726 -15.1825 -15.1783 -6.0846 -6.0822 -5.5773 -5.5713 -3.3350 -3.3268 -3.2810 -3.2760 -0.8247 -0.8179 -0.4702 -0.4647 0.2609 0.2671 0.6472 0.6537 1.6501 1.6540 2.1224 2.1296 2.3392 2.3480 2.5904 2.5996 12.5364 12.5410 12.7863 12.7922 13.0122 13.0197 13.6883 13.6953 k = 0.4470 0.4164 0.4827 ( 2332 PWs) bands (ev): -17.6319 -17.6318 -16.5305 -16.5271 -15.2753 -15.2727 -15.1860 -15.1817 -6.0561 -6.0537 -5.5866 -5.5806 -3.3365 -3.3287 -3.2809 -3.2761 -0.8161 -0.8087 -0.4913 -0.4849 0.2786 0.2852 0.6240 0.6305 1.6483 1.6523 2.1116 2.1192 2.3419 2.3509 2.5841 2.5935 12.5337 12.5386 12.7758 12.7824 13.0213 13.0289 13.6948 13.7017 k = 0.4545 0.4235 0.4731 ( 2332 PWs) bands (ev): -17.6296 -17.6295 -16.5324 -16.5290 -15.2752 -15.2729 -15.1895 -15.1851 -6.0257 -6.0233 -5.5972 -5.5910 -3.3387 -3.3312 -3.2814 -3.2767 -0.8064 -0.7983 -0.5122 -0.5050 0.2982 0.3050 0.6007 0.6071 1.6453 1.6494 2.0977 2.1056 2.3459 2.3550 2.5781 2.5877 12.5310 12.5361 12.7644 12.7718 13.0313 13.0392 13.6982 13.7051 k = 0.4621 0.4305 0.4634 ( 2332 PWs) bands (ev): -17.6274 -17.6273 -16.5342 -16.5308 -15.2751 -15.2730 -15.1930 -15.1884 -5.9939 -5.9916 -5.6086 -5.6022 -3.3414 -3.3343 -3.2826 -3.2781 -0.7960 -0.7870 -0.5324 -0.5242 0.3189 0.3260 0.5776 0.5839 1.6411 1.6453 2.0807 2.0887 2.3512 2.3603 2.5727 2.5824 12.5280 12.5334 12.7528 12.7608 13.0422 13.0502 13.6986 13.7055 k = 0.4697 0.4376 0.4538 ( 2326 PWs) bands (ev): -17.6255 -17.6254 -16.5358 -16.5323 -15.2749 -15.2732 -15.1964 -15.1917 -5.9614 -5.9591 -5.6203 -5.6136 -3.3448 -3.3379 -3.2844 -3.2801 -0.7856 -0.7754 -0.5508 -0.5415 0.3403 0.3476 0.5548 0.5610 1.6356 1.6399 2.0607 2.0687 2.3576 2.3667 2.5680 2.5779 12.5249 12.5304 12.7413 12.7498 13.0537 13.0617 13.6960 13.7028 k = 0.4773 0.4447 0.4441 ( 2330 PWs) bands (ev): -17.6239 -17.6238 -16.5370 -16.5335 -15.2748 -15.2734 -15.1997 -15.1948 -5.9292 -5.9271 -5.6313 -5.6242 -3.3488 -3.3421 -3.2871 -3.2828 -0.7757 -0.7643 -0.5664 -0.5559 0.3616 0.3693 0.5330 0.5391 1.6287 1.6331 2.0378 2.0457 2.3651 2.3740 2.5642 2.5741 12.5216 12.5272 12.7301 12.7390 13.0655 13.0735 13.6903 13.6972 k = 0.4848 0.4517 0.4345 ( 2330 PWs) bands (ev): -17.6227 -17.6226 -16.5377 -16.5341 -15.2746 -15.2737 -15.2028 -15.1978 -5.8992 -5.8973 -5.6398 -5.6323 -3.3533 -3.3469 -3.2905 -3.2862 -0.7673 -0.7547 -0.5779 -0.5661 0.3816 0.3898 0.5131 0.5190 1.6204 1.6248 2.0123 2.0202 2.3733 2.3821 2.5612 2.5712 12.5182 12.5238 12.7196 12.7288 13.0773 13.0853 13.6819 13.6887 k = 0.4924 0.4588 0.4248 ( 2332 PWs) bands (ev): -17.6221 -17.6220 -16.5377 -16.5341 -15.2746 -15.2740 -15.2056 -15.2006 -5.8745 -5.8727 -5.6432 -5.6352 -3.3583 -3.3521 -3.2946 -3.2905 -0.7615 -0.7478 -0.5838 -0.5711 0.3978 0.4067 0.4975 0.5033 1.6103 1.6148 1.9849 1.9925 2.3823 2.3909 2.5591 2.5691 12.5147 12.5203 12.7098 12.7194 13.0888 13.0968 13.6708 13.6777 k = 0.5000 0.4658 0.4152 ( 2332 PWs) bands (ev): -17.6223 -17.6222 -16.5369 -16.5332 -15.2746 -15.2742 -15.2082 -15.2032 -5.8587 -5.8570 -5.6375 -5.6293 -3.3639 -3.3578 -3.2996 -3.2954 -0.7587 -0.7447 -0.5830 -0.5699 0.4052 0.4146 0.4912 0.4969 1.5983 1.6028 1.9559 1.9634 2.3918 2.4002 2.5578 2.5678 12.5112 12.5168 12.7010 12.7107 13.0998 13.1077 13.6572 13.6642 k = 0.5000 0.4658 0.4152 ( 2332 PWs) bands (ev): -17.6223 -17.6222 -16.5369 -16.5332 -15.2746 -15.2742 -15.2082 -15.2032 -5.8587 -5.8570 -5.6375 -5.6293 -3.3639 -3.3578 -3.2996 -3.2954 -0.7587 -0.7447 -0.5830 -0.5699 0.4052 0.4146 0.4912 0.4969 1.5983 1.6028 1.9559 1.9634 2.3918 2.4002 2.5578 2.5678 12.5112 12.5168 12.7010 12.7107 13.0998 13.1077 13.6572 13.6642 k = 0.5000 0.4658 0.4009 ( 2328 PWs) bands (ev): -17.6232 -17.6231 -16.5351 -16.5313 -15.2748 -15.2743 -15.2119 -15.2068 -5.8439 -5.8421 -5.6208 -5.6124 -3.3724 -3.3664 -3.3075 -3.3034 -0.7565 -0.7425 -0.5760 -0.5629 0.4070 0.4164 0.4914 0.4971 1.5776 1.5824 1.9112 1.9185 2.4065 2.4146 2.5570 2.5671 12.5065 12.5120 12.6888 12.6988 13.1153 13.1230 13.6350 13.6420 k = 0.5000 0.4658 0.3865 ( 2332 PWs) bands (ev): -17.6241 -17.6240 -16.5332 -16.5294 -15.2749 -15.2745 -15.2155 -15.2103 -5.8293 -5.8275 -5.6042 -5.5957 -3.3803 -3.3745 -3.3153 -3.3111 -0.7531 -0.7391 -0.5679 -0.5549 0.4085 0.4178 0.4913 0.4968 1.5546 1.5595 1.8651 1.8722 2.4217 2.4295 2.5574 2.5674 12.5029 12.5083 12.6773 12.6875 13.1299 13.1374 13.6118 13.6188 k = 0.5000 0.4658 0.3722 ( 2332 PWs) bands (ev): -17.6250 -17.6249 -16.5313 -16.5275 -15.2750 -15.2745 -15.2190 -15.2139 -5.8151 -5.8133 -5.5878 -5.5791 -3.3877 -3.3820 -3.3228 -3.3187 -0.7484 -0.7344 -0.5586 -0.5456 0.4097 0.4190 0.4908 0.4962 1.5292 1.5342 1.8177 1.8246 2.4372 2.4448 2.5589 2.5688 12.5004 12.5057 12.6667 12.6771 13.1433 13.1508 13.5877 13.5948 k = 0.5000 0.4658 0.3579 ( 2334 PWs) bands (ev): -17.6260 -17.6259 -16.5295 -16.5257 -15.2750 -15.2745 -15.2225 -15.2174 -5.8013 -5.7995 -5.5716 -5.5628 -3.3943 -3.3889 -3.3302 -3.3260 -0.7425 -0.7285 -0.5481 -0.5352 0.4106 0.4199 0.4900 0.4953 1.5015 1.5066 1.7691 1.7760 2.4528 2.4602 2.5616 2.5714 12.4990 12.5043 12.6570 12.6675 13.1554 13.1628 13.5630 13.5700 k = 0.5000 0.4658 0.3436 ( 2326 PWs) bands (ev): -17.6269 -17.6268 -16.5277 -16.5239 -15.2749 -15.2744 -15.2260 -15.2208 -5.7880 -5.7861 -5.5558 -5.5469 -3.4003 -3.3950 -3.3372 -3.3330 -0.7353 -0.7213 -0.5364 -0.5235 0.4112 0.4205 0.4889 0.4940 1.4715 1.4767 1.7198 1.7265 2.4686 2.4757 2.5654 2.5749 12.4989 12.5041 12.6483 12.6590 13.1659 13.1733 13.5376 13.5446 k = 0.5000 0.4658 0.3293 ( 2320 PWs) bands (ev): -17.6279 -17.6278 -16.5259 -16.5221 -15.2748 -15.2743 -15.2293 -15.2242 -5.7752 -5.7734 -5.5403 -5.5314 -3.4056 -3.4005 -3.3438 -3.3396 -0.7268 -0.7129 -0.5233 -0.5105 0.4114 0.4208 0.4875 0.4924 1.4394 1.4447 1.6697 1.6763 2.4843 2.4912 2.5701 2.5795 12.5001 12.5053 12.6408 12.6516 13.1747 13.1820 13.5117 13.5187 k = 0.5000 0.4658 0.3150 ( 2324 PWs) bands (ev): -17.6289 -17.6288 -16.5242 -16.5204 -15.2747 -15.2742 -15.2325 -15.2275 -5.7631 -5.7613 -5.5253 -5.5164 -3.4101 -3.4052 -3.3501 -3.3459 -0.7170 -0.7031 -0.5089 -0.4961 0.4114 0.4207 0.4858 0.4905 1.4051 1.4105 1.6190 1.6256 2.5000 2.5066 2.5757 2.5848 12.5025 12.5077 12.6345 12.6453 13.1814 13.1887 13.4855 13.4923 k = 0.5000 0.4658 0.3006 ( 2324 PWs) bands (ev): -17.6299 -17.6298 -16.5225 -16.5187 -15.2745 -15.2740 -15.2356 -15.2307 -5.7517 -5.7498 -5.5108 -5.5020 -3.4138 -3.4091 -3.3560 -3.3518 -0.7059 -0.6921 -0.4931 -0.4803 0.4109 0.4203 0.4837 0.4883 1.3689 1.3743 1.5682 1.5746 2.5155 2.5218 2.5821 2.5909 12.5063 12.5115 12.6294 12.6403 13.1860 13.1934 13.4590 13.4657 k = 0.5000 0.4658 0.2863 ( 2324 PWs) bands (ev): -17.6309 -17.6308 -16.5209 -16.5172 -15.2743 -15.2737 -15.2386 -15.2338 -5.7409 -5.7391 -5.4968 -5.4881 -3.4168 -3.4123 -3.3614 -3.3573 -0.6935 -0.6798 -0.4758 -0.4631 0.4101 0.4196 0.4814 0.4857 1.3307 1.3362 1.5172 1.5236 2.5307 2.5368 2.5891 2.5976 12.5114 12.5166 12.6257 12.6366 13.1884 13.1960 13.4324 13.4388 k = 0.5000 0.4658 0.2720 ( 2322 PWs) bands (ev): -17.6319 -17.6318 -16.5193 -16.5157 -15.2740 -15.2734 -15.2415 -15.2369 -5.7309 -5.7291 -5.4834 -5.4748 -3.4191 -3.4148 -3.3664 -3.3624 -0.6798 -0.6662 -0.4571 -0.4445 0.4090 0.4185 0.4788 0.4830 1.2908 1.2964 1.4665 1.4727 2.5457 2.5515 2.5967 2.6048 12.5177 12.5230 12.6233 12.6342 13.1885 13.1962 13.4058 13.4120 k = 0.5000 0.4658 0.2577 ( 2320 PWs) bands (ev): -17.6329 -17.6328 -16.5178 -16.5142 -15.2738 -15.2731 -15.2442 -15.2397 -5.7215 -5.7198 -5.4707 -5.4623 -3.4206 -3.4166 -3.3709 -3.3670 -0.6650 -0.6515 -0.4369 -0.4244 0.4074 0.4171 0.4760 0.4799 1.2492 1.2548 1.4162 1.4223 2.5603 2.5658 2.6046 2.6124 12.5254 12.5308 12.6222 12.6331 13.1862 13.1941 13.3793 13.3852 k = 0.5000 0.4658 0.2434 ( 2320 PWs) bands (ev): -17.6339 -17.6338 -16.5163 -16.5129 -15.2734 -15.2728 -15.2468 -15.2425 -5.7130 -5.7112 -5.4586 -5.4504 -3.4215 -3.4177 -3.3750 -3.3712 -0.6490 -0.6357 -0.4152 -0.4028 0.4055 0.4152 0.4728 0.4766 1.2061 1.2116 1.3668 1.3727 2.5745 2.5797 2.6129 2.6202 12.5343 12.5398 12.6226 12.6334 13.1814 13.1897 13.3531 13.3587 k = 0.5000 0.4658 0.2291 ( 2318 PWs) bands (ev): -17.6348 -17.6347 -16.5149 -16.5116 -15.2731 -15.2724 -15.2492 -15.2451 -5.7051 -5.7035 -5.4473 -5.4393 -3.4217 -3.4182 -3.3785 -3.3750 -0.6320 -0.6188 -0.3920 -0.3797 0.4032 0.4130 0.4694 0.4731 1.1616 1.1670 1.3184 1.3240 2.5883 2.5932 2.6213 2.6283 12.5445 12.5501 12.6243 12.6350 13.1743 13.1830 13.3273 13.3325 k = 0.5000 0.4658 0.2147 ( 2326 PWs) bands (ev): -17.6358 -17.6357 -16.5136 -16.5104 -15.2727 -15.2720 -15.2515 -15.2476 -5.6980 -5.6964 -5.4366 -5.4289 -3.4213 -3.4182 -3.3817 -3.3784 -0.6140 -0.6010 -0.3674 -0.3552 0.4004 0.4104 0.4656 0.4693 1.1157 1.1210 1.2714 1.2767 2.6015 2.6061 2.6298 2.6363 12.5557 12.5614 12.6274 12.6379 13.1648 13.1739 13.3021 13.3068 k = 0.5000 0.4658 0.2004 ( 2326 PWs) bands (ev): -17.6367 -17.6366 -16.5123 -16.5093 -15.2724 -15.2716 -15.2536 -15.2500 -5.6916 -5.6900 -5.4266 -5.4193 -3.4205 -3.4177 -3.3843 -3.3813 -0.5952 -0.5824 -0.3413 -0.3292 0.3972 0.4074 0.4615 0.4653 1.0689 1.0739 1.2261 1.2310 2.6141 2.6184 2.6382 2.6443 12.5680 12.5739 12.6319 12.6422 13.1530 13.1626 13.2776 13.2818 k = 0.5000 0.4658 0.1861 ( 2328 PWs) bands (ev): -17.6375 -17.6375 -16.5111 -16.5083 -15.2721 -15.2712 -15.2555 -15.2522 -5.6859 -5.6844 -5.4174 -5.4104 -3.4192 -3.4168 -3.3865 -3.3839 -0.5756 -0.5632 -0.3138 -0.3018 0.3936 0.4039 0.4570 0.4611 1.0213 1.0260 1.1827 1.1872 2.6261 2.6300 2.6465 2.6522 12.5813 12.5874 12.6377 12.6477 13.1391 13.1493 13.2538 13.2575 k = 0.5000 0.4658 0.1718 ( 2328 PWs) bands (ev): -17.6384 -17.6383 -16.5100 -16.5073 -15.2717 -15.2708 -15.2572 -15.2542 -5.6808 -5.6794 -5.4089 -5.4023 -3.4176 -3.4156 -3.3884 -3.3861 -0.5555 -0.5434 -0.2848 -0.2730 0.3895 0.4000 0.4520 0.4565 0.9732 0.9776 1.1414 1.1454 2.6374 2.6410 2.6546 2.6598 12.5954 12.6018 12.6448 12.6544 13.1233 13.1340 13.2308 13.2340 k = 0.5000 0.4658 0.1575 ( 2336 PWs) bands (ev): -17.6391 -17.6391 -16.5090 -16.5065 -15.2714 -15.2705 -15.2587 -15.2561 -5.6763 -5.6750 -5.4011 -5.3949 -3.4158 -3.4142 -3.3898 -3.3879 -0.5351 -0.5234 -0.2546 -0.2430 0.3849 0.3955 0.4464 0.4515 0.9251 0.9292 1.1023 1.1060 2.6480 2.6512 2.6624 2.6670 12.6102 12.6169 12.6531 12.6622 13.1060 13.1171 13.2086 13.2114 k = 0.5000 0.4658 0.1432 ( 2336 PWs) bands (ev): -17.6399 -17.6398 -16.5081 -16.5057 -15.2712 -15.2701 -15.2601 -15.2578 -5.6724 -5.6711 -5.3940 -5.3883 -3.4138 -3.4126 -3.3909 -3.3894 -0.5145 -0.5033 -0.2232 -0.2118 0.3800 0.3906 0.4403 0.4461 0.8774 0.8812 1.0658 1.0691 2.6578 2.6606 2.6698 2.6739 12.6255 12.6327 12.6626 12.6711 13.0875 13.0988 13.1871 13.1897 k = 0.5000 0.4658 0.1288 ( 2332 PWs) bands (ev): -17.6406 -17.6405 -16.5072 -16.5051 -15.2710 -15.2698 -15.2613 -15.2594 -5.6690 -5.6679 -5.3877 -5.3824 -3.4117 -3.4109 -3.3916 -3.3905 -0.4941 -0.4834 -0.1908 -0.1795 0.3747 0.3851 0.4334 0.4399 0.8308 0.8344 1.0320 1.0350 2.6668 2.6693 2.6768 2.6804 12.6412 12.6488 12.6732 12.6809 13.0682 13.0797 13.1664 13.1688 k = 0.5000 0.4658 0.1145 ( 2340 PWs) bands (ev): -17.6412 -17.6411 -16.5064 -16.5045 -15.2708 -15.2696 -15.2622 -15.2607 -5.6661 -5.6651 -5.3820 -5.3772 -3.4098 -3.4092 -3.3921 -3.3913 -0.4741 -0.4641 -0.1575 -0.1465 0.3690 0.3792 0.4255 0.4328 0.7859 0.7892 1.0011 1.0038 2.6749 2.6770 2.6832 2.6863 12.6570 12.6652 12.6846 12.6914 13.0485 13.0599 13.1464 13.1487 k = 0.5000 0.4658 0.1002 ( 2348 PWs) bands (ev): -17.6417 -17.6417 -16.5057 -16.5040 -15.2707 -15.2694 -15.2630 -15.2619 -5.6636 -5.6627 -5.3770 -5.3728 -3.4082 -3.4074 -3.3925 -3.3917 -0.4549 -0.4457 -0.1237 -0.1130 0.3633 0.3730 0.4163 0.4244 0.7435 0.7467 0.9733 0.9758 2.6821 2.6840 2.6891 2.6916 12.6725 12.6814 12.6968 12.7025 13.0289 13.0401 13.1273 13.1295 k = 0.5000 0.4658 0.0859 ( 2344 PWs) bands (ev): -17.6422 -17.6422 -16.5050 -16.5036 -15.2706 -15.2693 -15.2636 -15.2628 -5.6615 -5.6608 -5.3726 -5.3690 -3.4069 -3.4058 -3.3927 -3.3917 -0.4369 -0.4286 -0.0897 -0.0794 0.3575 0.3665 0.4056 0.4144 0.7046 0.7077 0.9489 0.9512 2.6884 2.6900 2.6944 2.6964 12.6877 12.6972 12.7095 12.7140 13.0098 13.0206 13.1093 13.1113 k = 0.5000 0.4658 0.0716 ( 2342 PWs) bands (ev): -17.6426 -17.6426 -16.5045 -16.5032 -15.2706 -15.2693 -15.2640 -15.2636 -5.6599 -5.6592 -5.3689 -5.3659 -3.4057 -3.4044 -3.3927 -3.3915 -0.4205 -0.4133 -0.0562 -0.0465 0.3521 0.3601 0.3932 0.4023 0.6702 0.6732 0.9280 0.9300 2.6937 2.6951 2.6989 2.7005 12.7022 12.7119 12.7223 12.7256 12.9918 13.0019 13.0926 13.0944 k = 0.5000 0.4658 0.0573 ( 2350 PWs) bands (ev): -17.6430 -17.6430 -16.5040 -16.5030 -15.2706 -15.2695 -15.2643 -15.2641 -5.6585 -5.6580 -5.3659 -5.3634 -3.4048 -3.4035 -3.3925 -3.3913 -0.4061 -0.4001 -0.0240 -0.0151 0.3472 0.3539 0.3791 0.3883 0.6414 0.6443 0.9108 0.9124 2.6980 2.6993 2.7027 2.7040 12.7157 12.7250 12.7345 12.7368 12.9754 12.9846 13.0777 13.0793 k = 0.5000 0.4658 0.0429 ( 2354 PWs) bands (ev): -17.6432 -17.6432 -16.5036 -16.5028 -15.2706 -15.2697 -15.2646 -15.2644 -5.6575 -5.6571 -5.3634 -5.3616 -3.4040 -3.4029 -3.3921 -3.3910 -0.3941 -0.3895 0.0055 0.0132 0.3431 0.3482 0.3645 0.3729 0.6191 0.6215 0.8973 0.8986 2.7014 2.7025 2.7058 2.7068 12.7277 12.7357 12.7455 12.7471 12.9615 12.9692 13.0651 13.0664 k = 0.5000 0.4658 0.0286 ( 2354 PWs) bands (ev): -17.6434 -17.6434 -16.5033 -16.5028 -15.2706 -15.2699 -15.2647 -15.2646 -5.6567 -5.6565 -5.3616 -5.3603 -3.4034 -3.4026 -3.3916 -3.3908 -0.3850 -0.3818 0.0304 0.0363 0.3399 0.3433 0.3513 0.3580 0.6034 0.6052 0.8878 0.8887 2.7038 2.7046 2.7080 2.7088 12.7375 12.7435 12.7544 12.7555 12.9509 12.9566 13.0555 13.0565 k = 0.5000 0.4658 0.0143 ( 2354 PWs) bands (ev): -17.6436 -17.6435 -16.5030 -16.5028 -15.2705 -15.2701 -15.2647 -15.2647 -5.6563 -5.6562 -5.3604 -5.3597 -3.4030 -3.4025 -3.3912 -3.3908 -0.3790 -0.3774 0.0481 0.0513 0.3371 0.3390 0.3433 0.3470 0.5945 0.5954 0.8821 0.8826 2.7054 2.7058 2.7095 2.7099 12.7446 12.7478 12.7604 12.7610 12.9447 12.9477 13.0496 13.0501 k = 0.5000 0.4658-0.0000 ( 2354 PWs) bands (ev): -17.6436 -17.6436 -16.5029 -16.5029 -15.2703 -15.2703 -15.2648 -15.2648 -5.6561 -5.6561 -5.3598 -5.3598 -3.4027 -3.4027 -3.3909 -3.3909 -0.3765 -0.3765 0.0555 0.0555 0.3360 0.3360 0.3424 0.3424 0.5918 0.5918 0.8804 0.8804 2.7060 2.7060 2.7101 2.7101 12.7481 12.7481 12.7627 12.7627 12.9436 12.9436 13.0477 13.0477 k = 0.0000 0.0000 0.7335 ( 2344 PWs) bands (ev): -17.6128 -17.6128 -16.5625 -16.5625 -15.2672 -15.2672 -15.1531 -15.1531 -6.0838 -6.0838 -5.8740 -5.8740 -3.1948 -3.1948 -3.1846 -3.1846 -0.6610 -0.6610 -0.6030 -0.6030 0.3592 0.3592 0.4446 0.4446 1.6944 1.6944 2.1422 2.1422 2.6128 2.6128 2.6187 2.6187 12.6153 12.6153 12.8646 12.8646 12.9688 12.9688 13.8503 13.8503 k = 0.0104 0.0097 0.7335 ( 2344 PWs) bands (ev): -17.6128 -17.6128 -16.5626 -16.5623 -15.2674 -15.2671 -15.1531 -15.1531 -6.0836 -6.0835 -5.8741 -5.8735 -3.1956 -3.1956 -3.1853 -3.1852 -0.6611 -0.6601 -0.6040 -0.6027 0.3599 0.3612 0.4454 0.4461 1.6939 1.6941 2.1422 2.1423 2.6121 2.6124 2.6179 2.6184 12.6154 12.6157 12.8618 12.8650 12.9680 12.9702 13.8460 13.8467 k = 0.0208 0.0194 0.7335 ( 2350 PWs) bands (ev): -17.6128 -17.6127 -16.5627 -16.5622 -15.2677 -15.2669 -15.1532 -15.1532 -6.0828 -6.0826 -5.8737 -5.8724 -3.1982 -3.1980 -3.1874 -3.1873 -0.6605 -0.6585 -0.6057 -0.6032 0.3633 0.3659 0.4484 0.4498 1.6926 1.6930 2.1422 2.1425 2.6102 2.6108 2.6158 2.6168 12.6158 12.6164 12.8567 12.8629 12.9678 12.9721 13.8341 13.8353 k = 0.0312 0.0291 0.7335 ( 2342 PWs) bands (ev): -17.6127 -17.6127 -16.5628 -16.5620 -15.2680 -15.2668 -15.1532 -15.1532 -6.0814 -6.0811 -5.8727 -5.8709 -3.2024 -3.2020 -3.1907 -3.1907 -0.6592 -0.6562 -0.6081 -0.6044 0.3694 0.3732 0.4537 0.4557 1.6906 1.6913 2.1424 2.1429 2.6072 2.6081 2.6126 2.6140 12.6166 12.6176 12.8497 12.8585 12.9682 12.9741 13.8156 13.8172 k = 0.0417 0.0388 0.7335 ( 2342 PWs) bands (ev): -17.6127 -17.6127 -16.5628 -16.5618 -15.2683 -15.2668 -15.1533 -15.1533 -6.0795 -6.0791 -5.8714 -5.8689 -3.2083 -3.2077 -3.1954 -3.1952 -0.6572 -0.6532 -0.6111 -0.6063 0.3780 0.3829 0.4611 0.4638 1.6879 1.6887 2.1426 2.1433 2.6031 2.6043 2.6082 2.6101 12.6179 12.6191 12.8410 12.8520 12.9690 12.9762 13.7916 13.7937 k = 0.0521 0.0485 0.7335 ( 2346 PWs) bands (ev): -17.6127 -17.6126 -16.5629 -16.5616 -15.2686 -15.2667 -15.1534 -15.1534 -6.0770 -6.0766 -5.8695 -5.8665 -3.2159 -3.2148 -3.2011 -3.2006 -0.6547 -0.6496 -0.6146 -0.6088 0.3889 0.3950 0.4706 0.4740 1.6843 1.6854 2.1430 2.1437 2.5979 2.5994 2.6028 2.6051 12.6195 12.6211 12.8309 12.8437 12.9701 12.9782 13.7635 13.7659 k = 0.0625 0.0582 0.7335 ( 2346 PWs) bands (ev): -17.6126 -17.6126 -16.5629 -16.5614 -15.2690 -15.2667 -15.1536 -15.1536 -6.0741 -6.0736 -5.8673 -5.8637 -3.2249 -3.2234 -3.2078 -3.2070 -0.6517 -0.6456 -0.6184 -0.6117 0.4020 0.4091 0.4822 0.4861 1.6801 1.6814 2.1434 2.1443 2.5915 2.5934 2.5964 2.5993 12.6216 12.6235 12.8197 12.8339 12.9712 12.9799 13.7325 13.7351 k = 0.0729 0.0679 0.7335 ( 2350 PWs) bands (ev): -17.6126 -17.6125 -16.5629 -16.5611 -15.2694 -15.2668 -15.1537 -15.1537 -6.0708 -6.0702 -5.8647 -5.8605 -3.2352 -3.2333 -3.2153 -3.2141 -0.6485 -0.6412 -0.6223 -0.6150 0.4169 0.4249 0.4956 0.5001 1.6751 1.6766 2.1439 2.1450 2.5841 2.5864 2.5894 2.5926 12.6241 12.6263 12.8076 12.8231 12.9722 12.9813 13.6997 13.7024 k = 0.0833 0.0776 0.7335 ( 2350 PWs) bands (ev): -17.6125 -17.6125 -16.5629 -16.5609 -15.2698 -15.2668 -15.1539 -15.1539 -6.0670 -6.0664 -5.8618 -5.8570 -3.2466 -3.2443 -3.2235 -3.2220 -0.6454 -0.6367 -0.6260 -0.6185 0.4334 0.4424 0.5108 0.5158 1.6694 1.6711 2.1445 2.1458 2.5756 2.5784 2.5817 2.5852 12.6270 12.6296 12.7950 12.8114 12.9730 12.9823 13.6657 13.6685 k = 0.0938 0.0873 0.7335 ( 2350 PWs) bands (ev): -17.6124 -17.6124 -16.5628 -16.5606 -15.2702 -15.2669 -15.1541 -15.1541 -6.0630 -6.0622 -5.8586 -5.8532 -3.2589 -3.2562 -3.2323 -3.2304 -0.6433 -0.6324 -0.6286 -0.6218 0.4513 0.4610 0.5275 0.5330 1.6630 1.6649 2.1452 2.1468 2.5662 2.5695 2.5735 2.5774 12.6303 12.6333 12.7819 12.7992 12.9736 12.9831 13.6314 13.6342 k = 0.1042 0.0970 0.7335 ( 2346 PWs) bands (ev): -17.6124 -17.6123 -16.5628 -16.5604 -15.2706 -15.2670 -15.1543 -15.1543 -6.0587 -6.0579 -5.8551 -5.8493 -3.2718 -3.2687 -3.2415 -3.2393 -0.6436 -0.6305 -0.6287 -0.6227 0.4701 0.4806 0.5455 0.5515 1.6559 1.6581 2.1460 2.1478 2.5559 2.5598 2.5650 2.5691 12.6341 12.6374 12.7686 12.7866 12.9740 12.9835 13.5972 13.5999 k = 0.1146 0.1068 0.7335 ( 2346 PWs) bands (ev): -17.6123 -17.6123 -16.5627 -16.5601 -15.2710 -15.2672 -15.1545 -15.1545 -6.0542 -6.0533 -5.8516 -5.8452 -3.2851 -3.2817 -3.2510 -3.2485 -0.6464 -0.6328 -0.6262 -0.6194 0.4895 0.5007 0.5647 0.5711 1.6482 1.6506 2.1469 2.1490 2.5451 2.5495 2.5562 2.5606 12.6382 12.6419 12.7553 12.7739 12.9742 12.9836 13.5635 13.5662 k = 0.1250 0.1165 0.7335 ( 2342 PWs) bands (ev): -17.6122 -17.6122 -16.5627 -16.5599 -15.2714 -15.2673 -15.1547 -15.1547 -6.0496 -6.0487 -5.8479 -5.8410 -3.2986 -3.2949 -3.2606 -3.2578 -0.6502 -0.6365 -0.6226 -0.6149 0.5093 0.5212 0.5848 0.5915 1.6400 1.6426 2.1480 2.1503 2.5337 2.5388 2.5473 2.5519 12.6427 12.6467 12.7422 12.7614 12.9741 12.9835 13.5307 13.5334 k = 0.1354 0.1262 0.7335 ( 2344 PWs) bands (ev): -17.6122 -17.6121 -16.5626 -16.5596 -15.2718 -15.2674 -15.1550 -15.1549 -6.0450 -6.0440 -5.8442 -5.8368 -3.3120 -3.3080 -3.2702 -3.2671 -0.6542 -0.6403 -0.6186 -0.6102 0.5291 0.5415 0.6054 0.6124 1.6313 1.6341 2.1491 2.1518 2.5221 2.5278 2.5383 2.5433 12.6475 12.6519 12.7295 12.7491 12.9738 12.9831 13.4992 13.5017 k = 0.1458 0.1359 0.7335 ( 2344 PWs) bands (ev): -17.6121 -17.6120 -16.5625 -16.5594 -15.2722 -15.2676 -15.1552 -15.1552 -6.0405 -6.0394 -5.8405 -5.8327 -3.3252 -3.3209 -3.2796 -3.2762 -0.6582 -0.6440 -0.6147 -0.6056 0.5486 0.5615 0.6262 0.6335 1.6223 1.6253 2.1503 2.1533 2.5104 2.5166 2.5295 2.5347 12.6526 12.6573 12.7173 12.7373 12.9734 12.9826 13.4692 13.4716 k = 0.1562 0.1456 0.7335 ( 2340 PWs) bands (ev): -17.6120 -17.6120 -16.5625 -16.5592 -15.2726 -15.2677 -15.1554 -15.1554 -6.0361 -6.0349 -5.8369 -5.8287 -3.3378 -3.3333 -3.2887 -3.2850 -0.6620 -0.6475 -0.6108 -0.6013 0.5674 0.5808 0.6469 0.6544 1.6131 1.6163 2.1516 2.1550 2.4988 2.5056 2.5210 2.5265 12.6577 12.6629 12.7058 12.7261 12.9728 12.9820 13.4410 13.4432 k = 0.1667 0.1553 0.7335 ( 2348 PWs) bands (ev): -17.6120 -17.6119 -16.5624 -16.5590 -15.2730 -15.2679 -15.1556 -15.1555 -6.0318 -6.0306 -5.8335 -5.8250 -3.3497 -3.3450 -3.2973 -3.2933 -0.6656 -0.6508 -0.6073 -0.5974 0.5852 0.5990 0.6670 0.6747 1.6038 1.6073 2.1530 2.1567 2.4875 2.4949 2.5130 2.5187 12.6629 12.6686 12.6952 12.7158 12.9722 12.9813 13.4148 13.4168 k = 0.1771 0.1650 0.7335 ( 2348 PWs) bands (ev): -17.6119 -17.6119 -16.5623 -16.5588 -15.2733 -15.2680 -15.1557 -15.1557 -6.0279 -6.0266 -5.8303 -5.8215 -3.3607 -3.3559 -3.3052 -3.3010 -0.6688 -0.6538 -0.6040 -0.5938 0.6017 0.6159 0.6862 0.6941 1.5948 1.5984 2.1543 2.1584 2.4767 2.4848 2.5055 2.5114 12.6678 12.6741 12.6858 12.7063 12.9715 12.9806 13.3908 13.3927 k = 0.1875 0.1747 0.7335 ( 2364 PWs) bands (ev): -17.6119 -17.6118 -16.5623 -16.5586 -15.2736 -15.2682 -15.1559 -15.1559 -6.0243 -6.0230 -5.8274 -5.8183 -3.3707 -3.3657 -3.3124 -3.3080 -0.6716 -0.6564 -0.6011 -0.5906 0.6167 0.6312 0.7041 0.7121 1.5862 1.5900 2.1557 2.1601 2.4667 2.4753 2.4987 2.5048 12.6712 12.6787 12.6794 12.6978 12.9709 12.9799 13.3694 13.3711 k = 0.1979 0.1844 0.7335 ( 2370 PWs) bands (ev): -17.6118 -17.6118 -16.5622 -16.5585 -15.2739 -15.2683 -15.1560 -15.1560 -6.0212 -6.0198 -5.8249 -5.8155 -3.3794 -3.3742 -3.3187 -3.3141 -0.6741 -0.6587 -0.5986 -0.5879 0.6299 0.6446 0.7202 0.7283 1.5782 1.5822 2.1569 2.1617 2.4578 2.4669 2.4927 2.4990 12.6677 12.6793 12.6843 12.6905 12.9703 12.9792 13.3507 13.3522 k = 0.2083 0.1941 0.7335 ( 2374 PWs) bands (ev): -17.6118 -17.6117 -16.5622 -16.5583 -15.2741 -15.2684 -15.1562 -15.1562 -6.0185 -6.0171 -5.8227 -5.8131 -3.3867 -3.3815 -3.3239 -3.3193 -0.6761 -0.6606 -0.5965 -0.5856 0.6410 0.6560 0.7341 0.7423 1.5712 1.5753 2.1581 2.1632 2.4500 2.4596 2.4877 2.4942 12.6620 12.6829 12.6842 12.6889 12.9697 12.9786 13.3351 13.3364 k = 0.2188 0.2038 0.7335 ( 2374 PWs) bands (ev): -17.6117 -17.6117 -16.5621 -16.5582 -15.2742 -15.2685 -15.1563 -15.1562 -6.0164 -6.0150 -5.8210 -5.8112 -3.3925 -3.3872 -3.3282 -3.3234 -0.6777 -0.6621 -0.5948 -0.5838 0.6498 0.6650 0.7453 0.7537 1.5654 1.5696 2.1591 2.1645 2.4438 2.4537 2.4837 2.4903 12.6572 12.6795 12.6861 12.6924 12.9693 12.9782 13.3226 13.3238 k = 0.2292 0.2135 0.7335 ( 2374 PWs) bands (ev): -17.6117 -17.6117 -16.5621 -16.5582 -15.2743 -15.2685 -15.1563 -15.1563 -6.0149 -6.0134 -5.8197 -5.8099 -3.3967 -3.3913 -3.3312 -3.3264 -0.6788 -0.6631 -0.5936 -0.5826 0.6563 0.6716 0.7537 0.7620 1.5611 1.5653 2.1598 2.1655 2.4391 2.4494 2.4808 2.4875 12.6537 12.6760 12.6886 12.6951 12.9689 12.9778 13.3136 13.3147 k = 0.2396 0.2232 0.7335 ( 2368 PWs) bands (ev): -17.6117 -17.6116 -16.5621 -16.5581 -15.2744 -15.2686 -15.1564 -15.1564 -6.0139 -6.0124 -5.8190 -5.8090 -3.3993 -3.3938 -3.3331 -3.3282 -0.6795 -0.6638 -0.5929 -0.5818 0.6602 0.6755 0.7588 0.7672 1.5584 1.5627 2.1603 2.1661 2.4363 2.4468 2.4790 2.4858 12.6516 12.6739 12.6902 12.6968 12.9687 12.9776 13.3081 13.3091 k = 0.2500 0.2329 0.7335 ( 2352 PWs) bands (ev): -17.6117 -17.6116 -16.5621 -16.5581 -15.2744 -15.2686 -15.1564 -15.1564 -6.0136 -6.0121 -5.8187 -5.8087 -3.4001 -3.3947 -3.3337 -3.3288 -0.6797 -0.6640 -0.5927 -0.5815 0.6615 0.6769 0.7605 0.7689 1.5575 1.5618 2.1605 2.1663 2.4354 2.4459 2.4784 2.4852 12.6509 12.6732 12.6907 12.6974 12.9687 12.9775 13.3063 13.3073 Writing output data file BPO4.save init_run : 3.04s CPU 11.78s WALL ( 1 calls) electrons : 429.43s CPU 435.80s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.25s CPU 1.95s WALL ( 1 calls) Called by electrons: c_bands : 429.39s CPU 435.42s WALL ( 1 calls) v_of_rho : 0.12s CPU 0.95s WALL ( 1 calls) v_h : 0.07s CPU 0.12s WALL ( 1 calls) v_xc : 0.04s CPU 0.56s WALL ( 1 calls) newd : 0.11s CPU 0.41s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.08s WALL ( 378 calls) cegterg : 408.29s CPU 412.20s WALL ( 759 calls) Called by sum_band: Called by *egterg: h_psi : 181.86s CPU 188.93s WALL ( 14120 calls) s_psi : 12.74s CPU 14.08s WALL ( 14120 calls) g_psi : 0.34s CPU 0.38s WALL ( 12983 calls) cdiaghg : 160.32s CPU 158.58s WALL ( 13361 calls) cegterg:over : 34.64s CPU 30.39s WALL ( 12983 calls) cegterg:upda : 3.55s CPU 6.57s WALL ( 12983 calls) cegterg:last : 3.83s CPU 4.74s WALL ( 2304 calls) Called by h_psi: h_psi:vloc : 147.82s CPU 154.76s WALL ( 14120 calls) h_psi:vnl : 33.91s CPU 33.71s WALL ( 14120 calls) add_vuspsi : 7.03s CPU 11.00s WALL ( 14120 calls) General routines calbec : 26.84s CPU 22.63s WALL ( 14120 calls) fft : 0.43s CPU 1.31s WALL ( 19 calls) ffts : 0.00s CPU 0.49s WALL ( 4 calls) fftw : 138.51s CPU 144.69s WALL ( 1174884 calls) interpolate : 0.01s CPU 0.51s WALL ( 4 calls) davcio : 0.04s CPU 0.66s WALL ( 756 calls) Parallel routines fft_scatter : 94.71s CPU 99.16s WALL ( 1174907 calls) PWSCF : 7m51.58s CPU 9m 7.40s WALL This run was terminated on: 7:10:19 12Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=