Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 15:57: 3 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./H4C3O2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 54 31 9 3131 1352 218 Max 55 32 10 3137 1372 222 Sum 1957 1121 331 112811 49145 7923 bravais-lattice index = 14 lattice parameter (alat) = 7.3095 a.u. unit-cell volume = 1129.9690 (a.u.)^3 number of atoms/cell = 18 number of atomic types = 3 number of electrons = 56.00 number of Kohn-Sham states= 68 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.309460 celldm(2)= 1.458893 celldm(3)= 2.162358 celldm(4)= -0.188118 celldm(5)= -0.178613 celldm(6)= -0.270701 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.394924 1.404423 0.000000 ) a(3) = ( -0.386226 -0.531163 2.060215 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.281200 0.259968 ) b(2) = ( 0.000000 0.712036 0.183577 ) b(3) = ( 0.000000 0.000000 0.485386 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) H 1.00 1.00790 H( 1.00) C 4.00 12.01070 C( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 280 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 -0.3560180 -0.0917883), wk = 0.0035714 k( 2) = ( 0.0000000 -0.3441507 -0.0887287), wk = 0.0035714 k( 3) = ( 0.0000000 -0.3322835 -0.0856691), wk = 0.0035714 k( 4) = ( 0.0000000 -0.3204162 -0.0826095), wk = 0.0035714 k( 5) = ( 0.0000000 -0.3085489 -0.0795498), wk = 0.0035714 k( 6) = ( 0.0000000 -0.2966817 -0.0764902), wk = 0.0035714 k( 7) = ( 0.0000000 -0.2848144 -0.0734306), wk = 0.0035714 k( 8) = ( 0.0000000 -0.2729471 -0.0703710), wk = 0.0035714 k( 9) = ( 0.0000000 -0.2610799 -0.0673114), wk = 0.0035714 k( 10) = ( 0.0000000 -0.2492126 -0.0642518), wk = 0.0035714 k( 11) = ( 0.0000000 -0.2373453 -0.0611922), wk = 0.0035714 k( 12) = ( 0.0000000 -0.2254781 -0.0581326), wk = 0.0035714 k( 13) = ( 0.0000000 -0.2136108 -0.0550730), wk = 0.0035714 k( 14) = ( 0.0000000 -0.2017435 -0.0520134), wk = 0.0035714 k( 15) = ( 0.0000000 -0.1898763 -0.0489538), wk = 0.0035714 k( 16) = ( 0.0000000 -0.1780090 -0.0458941), wk = 0.0035714 k( 17) = ( 0.0000000 -0.1661417 -0.0428345), wk = 0.0035714 k( 18) = ( 0.0000000 -0.1542745 -0.0397749), wk = 0.0035714 k( 19) = ( 0.0000000 -0.1424072 -0.0367153), wk = 0.0035714 k( 20) = ( 0.0000000 -0.1305399 -0.0336557), wk = 0.0035714 k( 21) = ( 0.0000000 -0.1186727 -0.0305961), wk = 0.0035714 k( 22) = ( 0.0000000 -0.1068054 -0.0275365), wk = 0.0035714 k( 23) = ( 0.0000000 -0.0949381 -0.0244769), wk = 0.0035714 k( 24) = ( 0.0000000 -0.0830709 -0.0214173), wk = 0.0035714 k( 25) = ( 0.0000000 -0.0712036 -0.0183577), wk = 0.0035714 k( 26) = ( 0.0000000 -0.0593363 -0.0152980), wk = 0.0035714 k( 27) = ( 0.0000000 -0.0474691 -0.0122384), wk = 0.0035714 k( 28) = ( 0.0000000 -0.0356018 -0.0091788), wk = 0.0035714 k( 29) = ( 0.0000000 -0.0237345 -0.0061192), wk = 0.0035714 k( 30) = ( 0.0000000 -0.0118673 -0.0030596), wk = 0.0035714 k( 31) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035714 k( 32) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035714 k( 33) = ( 0.0113636 0.0031955 0.0029542), wk = 0.0035714 k( 34) = ( 0.0227273 0.0063909 0.0059084), wk = 0.0035714 k( 35) = ( 0.0340909 0.0095864 0.0088625), wk = 0.0035714 k( 36) = ( 0.0454546 0.0127818 0.0118167), wk = 0.0035714 k( 37) = ( 0.0568182 0.0159773 0.0147709), wk = 0.0035714 k( 38) = ( 0.0681818 0.0191727 0.0177251), wk = 0.0035714 k( 39) = ( 0.0795455 0.0223682 0.0206792), wk = 0.0035714 k( 40) = ( 0.0909091 0.0255637 0.0236334), wk = 0.0035714 k( 41) = ( 0.1022727 0.0287591 0.0265876), wk = 0.0035714 k( 42) = ( 0.1136364 0.0319546 0.0295418), wk = 0.0035714 k( 43) = ( 0.1250000 0.0351500 0.0324959), wk = 0.0035714 k( 44) = ( 0.1363636 0.0383455 0.0354501), wk = 0.0035714 k( 45) = ( 0.1477273 0.0415410 0.0384043), wk = 0.0035714 k( 46) = ( 0.1590909 0.0447364 0.0413585), wk = 0.0035714 k( 47) = ( 0.1704546 0.0479319 0.0443127), wk = 0.0035714 k( 48) = ( 0.1818182 0.0511273 0.0472668), wk = 0.0035714 k( 49) = ( 0.1931818 0.0543228 0.0502210), wk = 0.0035714 k( 50) = ( 0.2045454 0.0575182 0.0531752), wk = 0.0035714 k( 51) = ( 0.2159091 0.0607137 0.0561294), wk = 0.0035714 k( 52) = ( 0.2272727 0.0639092 0.0590835), wk = 0.0035714 k( 53) = ( 0.2386364 0.0671046 0.0620377), wk = 0.0035714 k( 54) = ( 0.2500000 0.0703001 0.0649919), wk = 0.0035714 k( 55) = ( 0.2613636 0.0734955 0.0679461), wk = 0.0035714 k( 56) = ( 0.2727273 0.0766910 0.0709002), wk = 0.0035714 k( 57) = ( 0.2840909 0.0798865 0.0738544), wk = 0.0035714 k( 58) = ( 0.2954545 0.0830819 0.0768086), wk = 0.0035714 k( 59) = ( 0.3068182 0.0862774 0.0797628), wk = 0.0035714 k( 60) = ( 0.3181818 0.0894728 0.0827170), wk = 0.0035714 k( 61) = ( 0.3295455 0.0926683 0.0856711), wk = 0.0035714 k( 62) = ( 0.3409091 0.0958637 0.0886253), wk = 0.0035714 k( 63) = ( 0.3522727 0.0990592 0.0915795), wk = 0.0035714 k( 64) = ( 0.3636364 0.1022547 0.0945337), wk = 0.0035714 k( 65) = ( 0.3750000 0.1054501 0.0974878), wk = 0.0035714 k( 66) = ( 0.3863636 0.1086456 0.1004420), wk = 0.0035714 k( 67) = ( 0.3977273 0.1118410 0.1033962), wk = 0.0035714 k( 68) = ( 0.4090909 0.1150365 0.1063504), wk = 0.0035714 k( 69) = ( 0.4204545 0.1182320 0.1093045), wk = 0.0035714 k( 70) = ( 0.4318182 0.1214274 0.1122587), wk = 0.0035714 k( 71) = ( 0.4431818 0.1246229 0.1152129), wk = 0.0035714 k( 72) = ( 0.4545455 0.1278183 0.1181671), wk = 0.0035714 k( 73) = ( 0.4659091 0.1310138 0.1211213), wk = 0.0035714 k( 74) = ( 0.4772727 0.1342092 0.1240754), wk = 0.0035714 k( 75) = ( 0.4886364 0.1374047 0.1270296), wk = 0.0035714 k( 76) = ( 0.5000000 0.1406002 0.1299838), wk = 0.0035714 k( 77) = ( 0.5000000 -0.2154178 0.0381955), wk = 0.0035714 k( 78) = ( 0.4888889 -0.2106308 0.0373467), wk = 0.0035714 k( 79) = ( 0.4777778 -0.2058437 0.0364979), wk = 0.0035714 k( 80) = ( 0.4666667 -0.2010567 0.0356491), wk = 0.0035714 k( 81) = ( 0.4555556 -0.1962696 0.0348003), wk = 0.0035714 k( 82) = ( 0.4444444 -0.1914825 0.0339516), wk = 0.0035714 k( 83) = ( 0.4333333 -0.1866955 0.0331028), wk = 0.0035714 k( 84) = ( 0.4222222 -0.1819084 0.0322540), wk = 0.0035714 k( 85) = ( 0.4111111 -0.1771213 0.0314052), wk = 0.0035714 k( 86) = ( 0.4000000 -0.1723343 0.0305564), wk = 0.0035714 k( 87) = ( 0.3888889 -0.1675472 0.0297076), wk = 0.0035714 k( 88) = ( 0.3777778 -0.1627601 0.0288588), wk = 0.0035714 k( 89) = ( 0.3666667 -0.1579731 0.0280100), wk = 0.0035714 k( 90) = ( 0.3555556 -0.1531860 0.0271612), wk = 0.0035714 k( 91) = ( 0.3444444 -0.1483990 0.0263125), wk = 0.0035714 k( 92) = ( 0.3333333 -0.1436119 0.0254637), wk = 0.0035714 k( 93) = ( 0.3222222 -0.1388248 0.0246149), wk = 0.0035714 k( 94) = ( 0.3111111 -0.1340378 0.0237661), wk = 0.0035714 k( 95) = ( 0.3000000 -0.1292507 0.0229173), wk = 0.0035714 k( 96) = ( 0.2888889 -0.1244636 0.0220685), wk = 0.0035714 k( 97) = ( 0.2777778 -0.1196766 0.0212197), wk = 0.0035714 k( 98) = ( 0.2666667 -0.1148895 0.0203709), wk = 0.0035714 k( 99) = ( 0.2555556 -0.1101025 0.0195221), wk = 0.0035714 k( 100) = ( 0.2444444 -0.1053154 0.0186734), wk = 0.0035714 k( 101) = ( 0.2333333 -0.1005283 0.0178246), wk = 0.0035714 k( 102) = ( 0.2222222 -0.0957413 0.0169758), wk = 0.0035714 k( 103) = ( 0.2111111 -0.0909542 0.0161270), wk = 0.0035714 k( 104) = ( 0.2000000 -0.0861671 0.0152782), wk = 0.0035714 k( 105) = ( 0.1888889 -0.0813801 0.0144294), wk = 0.0035714 k( 106) = ( 0.1777778 -0.0765930 0.0135806), wk = 0.0035714 k( 107) = ( 0.1666667 -0.0718059 0.0127318), wk = 0.0035714 k( 108) = ( 0.1555556 -0.0670189 0.0118830), wk = 0.0035714 k( 109) = ( 0.1444444 -0.0622318 0.0110343), wk = 0.0035714 k( 110) = ( 0.1333333 -0.0574448 0.0101855), wk = 0.0035714 k( 111) = ( 0.1222222 -0.0526577 0.0093367), wk = 0.0035714 k( 112) = ( 0.1111111 -0.0478706 0.0084879), wk = 0.0035714 k( 113) = ( 0.1000000 -0.0430836 0.0076391), wk = 0.0035714 k( 114) = ( 0.0888889 -0.0382965 0.0067903), wk = 0.0035714 k( 115) = ( 0.0777778 -0.0335094 0.0059415), wk = 0.0035714 k( 116) = ( 0.0666667 -0.0287224 0.0050927), wk = 0.0035714 k( 117) = ( 0.0555556 -0.0239353 0.0042439), wk = 0.0035714 k( 118) = ( 0.0444444 -0.0191483 0.0033952), wk = 0.0035714 k( 119) = ( 0.0333333 -0.0143612 0.0025464), wk = 0.0035714 k( 120) = ( 0.0222222 -0.0095741 0.0016976), wk = 0.0035714 k( 121) = ( 0.0111111 -0.0047871 0.0008488), wk = 0.0035714 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035714 k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035714 k( 124) = ( -0.0113636 -0.0031955 0.0025616), wk = 0.0035714 k( 125) = ( -0.0227273 -0.0063909 0.0051231), wk = 0.0035714 k( 126) = ( -0.0340909 -0.0095864 0.0076847), wk = 0.0035714 k( 127) = ( -0.0454546 -0.0127818 0.0102463), wk = 0.0035714 k( 128) = ( -0.0568182 -0.0159773 0.0128079), wk = 0.0035714 k( 129) = ( -0.0681818 -0.0191727 0.0153695), wk = 0.0035714 k( 130) = ( -0.0795455 -0.0223682 0.0179310), wk = 0.0035714 k( 131) = ( -0.0909091 -0.0255637 0.0204926), wk = 0.0035714 k( 132) = ( -0.1022727 -0.0287591 0.0230542), wk = 0.0035714 k( 133) = ( -0.1136364 -0.0319546 0.0256158), wk = 0.0035714 k( 134) = ( -0.1250000 -0.0351500 0.0281773), wk = 0.0035714 k( 135) = ( -0.1363636 -0.0383455 0.0307389), wk = 0.0035714 k( 136) = ( -0.1477273 -0.0415410 0.0333005), wk = 0.0035714 k( 137) = ( -0.1590909 -0.0447364 0.0358621), wk = 0.0035714 k( 138) = ( -0.1704546 -0.0479319 0.0384236), wk = 0.0035714 k( 139) = ( -0.1818182 -0.0511273 0.0409852), wk = 0.0035714 k( 140) = ( -0.1931818 -0.0543228 0.0435468), wk = 0.0035714 k( 141) = ( -0.2045454 -0.0575182 0.0461084), wk = 0.0035714 k( 142) = ( -0.2159091 -0.0607137 0.0486699), wk = 0.0035714 k( 143) = ( -0.2272727 -0.0639092 0.0512315), wk = 0.0035714 k( 144) = ( -0.2386364 -0.0671046 0.0537931), wk = 0.0035714 k( 145) = ( -0.2500000 -0.0703001 0.0563547), wk = 0.0035714 k( 146) = ( -0.2613636 -0.0734955 0.0589162), wk = 0.0035714 k( 147) = ( -0.2727273 -0.0766910 0.0614778), wk = 0.0035714 k( 148) = ( -0.2840909 -0.0798865 0.0640394), wk = 0.0035714 k( 149) = ( -0.2954545 -0.0830819 0.0666010), wk = 0.0035714 k( 150) = ( -0.3068182 -0.0862774 0.0691625), wk = 0.0035714 k( 151) = ( -0.3181818 -0.0894728 0.0717241), wk = 0.0035714 k( 152) = ( -0.3295455 -0.0926683 0.0742857), wk = 0.0035714 k( 153) = ( -0.3409091 -0.0958637 0.0768473), wk = 0.0035714 k( 154) = ( -0.3522727 -0.0990592 0.0794088), wk = 0.0035714 k( 155) = ( -0.3636364 -0.1022547 0.0819704), wk = 0.0035714 k( 156) = ( -0.3750000 -0.1054501 0.0845320), wk = 0.0035714 k( 157) = ( -0.3863636 -0.1086456 0.0870936), wk = 0.0035714 k( 158) = ( -0.3977273 -0.1118410 0.0896551), wk = 0.0035714 k( 159) = ( -0.4090909 -0.1150365 0.0922167), wk = 0.0035714 k( 160) = ( -0.4204545 -0.1182320 0.0947783), wk = 0.0035714 k( 161) = ( -0.4318182 -0.1214274 0.0973399), wk = 0.0035714 k( 162) = ( -0.4431818 -0.1246229 0.0999014), wk = 0.0035714 k( 163) = ( -0.4545455 -0.1278183 0.1024630), wk = 0.0035714 k( 164) = ( -0.4659091 -0.1310138 0.1050246), wk = 0.0035714 k( 165) = ( -0.4772727 -0.1342092 0.1075862), wk = 0.0035714 k( 166) = ( -0.4886364 -0.1374047 0.1101477), wk = 0.0035714 k( 167) = ( -0.5000000 -0.1406002 0.1127093), wk = 0.0035714 k( 168) = ( -0.5000000 -0.4966182 0.0209210), wk = 0.0035714 k( 169) = ( -0.4913793 -0.4880558 0.0205603), wk = 0.0035714 k( 170) = ( -0.4827586 -0.4794934 0.0201996), wk = 0.0035714 k( 171) = ( -0.4741379 -0.4709310 0.0198389), wk = 0.0035714 k( 172) = ( -0.4655172 -0.4623686 0.0194782), wk = 0.0035714 k( 173) = ( -0.4568966 -0.4538062 0.0191175), wk = 0.0035714 k( 174) = ( -0.4482759 -0.4452439 0.0187568), wk = 0.0035714 k( 175) = ( -0.4396552 -0.4366815 0.0183961), wk = 0.0035714 k( 176) = ( -0.4310345 -0.4281191 0.0180354), wk = 0.0035714 k( 177) = ( -0.4224138 -0.4195567 0.0176747), wk = 0.0035714 k( 178) = ( -0.4137931 -0.4109943 0.0173140), wk = 0.0035714 k( 179) = ( -0.4051724 -0.4024320 0.0169532), wk = 0.0035714 k( 180) = ( -0.3965517 -0.3938696 0.0165925), wk = 0.0035714 k( 181) = ( -0.3879310 -0.3853072 0.0162318), wk = 0.0035714 k( 182) = ( -0.3793103 -0.3767448 0.0158711), wk = 0.0035714 k( 183) = ( -0.3706897 -0.3681824 0.0155104), wk = 0.0035714 k( 184) = ( -0.3620690 -0.3596201 0.0151497), wk = 0.0035714 k( 185) = ( -0.3534483 -0.3510577 0.0147890), wk = 0.0035714 k( 186) = ( -0.3448276 -0.3424953 0.0144283), wk = 0.0035714 k( 187) = ( -0.3362069 -0.3339329 0.0140676), wk = 0.0035714 k( 188) = ( -0.3275862 -0.3253705 0.0137069), wk = 0.0035714 k( 189) = ( -0.3189655 -0.3168081 0.0133462), wk = 0.0035714 k( 190) = ( -0.3103448 -0.3082458 0.0129855), wk = 0.0035714 k( 191) = ( -0.3017241 -0.2996834 0.0126248), wk = 0.0035714 k( 192) = ( -0.2931034 -0.2911210 0.0122640), wk = 0.0035714 k( 193) = ( -0.2844828 -0.2825586 0.0119033), wk = 0.0035714 k( 194) = ( -0.2758621 -0.2739962 0.0115426), wk = 0.0035714 k( 195) = ( -0.2672414 -0.2654338 0.0111819), wk = 0.0035714 k( 196) = ( -0.2586207 -0.2568715 0.0108212), wk = 0.0035714 k( 197) = ( -0.2500000 -0.2483091 0.0104605), wk = 0.0035714 k( 198) = ( -0.2413793 -0.2397467 0.0100998), wk = 0.0035714 k( 199) = ( -0.2327586 -0.2311843 0.0097391), wk = 0.0035714 k( 200) = ( -0.2241379 -0.2226219 0.0093784), wk = 0.0035714 k( 201) = ( -0.2155172 -0.2140596 0.0090177), wk = 0.0035714 k( 202) = ( -0.2068966 -0.2054972 0.0086570), wk = 0.0035714 k( 203) = ( -0.1982759 -0.1969348 0.0082963), wk = 0.0035714 k( 204) = ( -0.1896552 -0.1883724 0.0079356), wk = 0.0035714 k( 205) = ( -0.1810345 -0.1798100 0.0075749), wk = 0.0035714 k( 206) = ( -0.1724138 -0.1712476 0.0072141), wk = 0.0035714 k( 207) = ( -0.1637931 -0.1626853 0.0068534), wk = 0.0035714 k( 208) = ( -0.1551724 -0.1541229 0.0064927), wk = 0.0035714 k( 209) = ( -0.1465517 -0.1455605 0.0061320), wk = 0.0035714 k( 210) = ( -0.1379310 -0.1369981 0.0057713), wk = 0.0035714 k( 211) = ( -0.1293103 -0.1284357 0.0054106), wk = 0.0035714 k( 212) = ( -0.1206897 -0.1198734 0.0050499), wk = 0.0035714 k( 213) = ( -0.1120690 -0.1113110 0.0046892), wk = 0.0035714 k( 214) = ( -0.1034483 -0.1027486 0.0043285), wk = 0.0035714 k( 215) = ( -0.0948276 -0.0941862 0.0039678), wk = 0.0035714 k( 216) = ( -0.0862069 -0.0856238 0.0036071), wk = 0.0035714 k( 217) = ( -0.0775862 -0.0770614 0.0032464), wk = 0.0035714 k( 218) = ( -0.0689655 -0.0684991 0.0028857), wk = 0.0035714 k( 219) = ( -0.0603448 -0.0599367 0.0025250), wk = 0.0035714 k( 220) = ( -0.0517241 -0.0513743 0.0021642), wk = 0.0035714 k( 221) = ( -0.0431035 -0.0428119 0.0018035), wk = 0.0035714 k( 222) = ( -0.0344828 -0.0342495 0.0014428), wk = 0.0035714 k( 223) = ( -0.0258621 -0.0256871 0.0010821), wk = 0.0035714 k( 224) = ( -0.0172414 -0.0171248 0.0007214), wk = 0.0035714 k( 225) = ( -0.0086207 -0.0085624 0.0003607), wk = 0.0035714 k( 226) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035714 k( 227) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035714 k( 228) = ( 0.0000000 0.0000000 0.0121347), wk = 0.0035714 k( 229) = ( 0.0000000 0.0000000 0.0242693), wk = 0.0035714 k( 230) = ( 0.0000000 0.0000000 0.0364040), wk = 0.0035714 k( 231) = ( 0.0000000 0.0000000 0.0485386), wk = 0.0035714 k( 232) = ( 0.0000000 0.0000000 0.0606733), wk = 0.0035714 k( 233) = ( 0.0000000 0.0000000 0.0728079), wk = 0.0035714 k( 234) = ( 0.0000000 0.0000000 0.0849426), wk = 0.0035714 k( 235) = ( 0.0000000 0.0000000 0.0970772), wk = 0.0035714 k( 236) = ( 0.0000000 0.0000000 0.1092119), wk = 0.0035714 k( 237) = ( 0.0000000 0.0000000 0.1213465), wk = 0.0035714 k( 238) = ( 0.0000000 0.0000000 0.1334812), wk = 0.0035714 k( 239) = ( 0.0000000 0.0000000 0.1456159), wk = 0.0035714 k( 240) = ( 0.0000000 0.0000000 0.1577505), wk = 0.0035714 k( 241) = ( 0.0000000 0.0000000 0.1698852), wk = 0.0035714 k( 242) = ( 0.0000000 0.0000000 0.1820198), wk = 0.0035714 k( 243) = ( 0.0000000 0.0000000 0.1941545), wk = 0.0035714 k( 244) = ( 0.0000000 0.0000000 0.2062891), wk = 0.0035714 k( 245) = ( 0.0000000 0.0000000 0.2184238), wk = 0.0035714 k( 246) = ( 0.0000000 0.0000000 0.2305584), wk = 0.0035714 k( 247) = ( 0.0000000 0.0000000 0.2426931), wk = 0.0035714 k( 248) = ( 0.0000000 -0.3560180 0.1509048), wk = 0.0035714 k( 249) = ( 0.0000000 -0.3448924 0.1461890), wk = 0.0035714 k( 250) = ( 0.0000000 -0.3337669 0.1414733), wk = 0.0035714 k( 251) = ( 0.0000000 -0.3226413 0.1367575), wk = 0.0035714 k( 252) = ( 0.0000000 -0.3115158 0.1320417), wk = 0.0035714 k( 253) = ( 0.0000000 -0.3003902 0.1273259), wk = 0.0035714 k( 254) = ( 0.0000000 -0.2892646 0.1226102), wk = 0.0035714 k( 255) = ( 0.0000000 -0.2781391 0.1178944), wk = 0.0035714 k( 256) = ( 0.0000000 -0.2670135 0.1131786), wk = 0.0035714 k( 257) = ( 0.0000000 -0.2558879 0.1084628), wk = 0.0035714 k( 258) = ( 0.0000000 -0.2447624 0.1037471), wk = 0.0035714 k( 259) = ( 0.0000000 -0.2336368 0.0990313), wk = 0.0035714 k( 260) = ( 0.0000000 -0.2225113 0.0943155), wk = 0.0035714 k( 261) = ( 0.0000000 -0.2113857 0.0895997), wk = 0.0035714 k( 262) = ( 0.0000000 -0.2002601 0.0848840), wk = 0.0035714 k( 263) = ( 0.0000000 -0.1891346 0.0801682), wk = 0.0035714 k( 264) = ( 0.0000000 -0.1780090 0.0754524), wk = 0.0035714 k( 265) = ( 0.0000000 -0.1668834 0.0707366), wk = 0.0035714 k( 266) = ( 0.0000000 -0.1557579 0.0660209), wk = 0.0035714 k( 267) = ( 0.0000000 -0.1446323 0.0613051), wk = 0.0035714 k( 268) = ( 0.0000000 -0.1335068 0.0565893), wk = 0.0035714 k( 269) = ( 0.0000000 -0.1223812 0.0518735), wk = 0.0035714 k( 270) = ( 0.0000000 -0.1112556 0.0471578), wk = 0.0035714 k( 271) = ( 0.0000000 -0.1001301 0.0424420), wk = 0.0035714 k( 272) = ( 0.0000000 -0.0890045 0.0377262), wk = 0.0035714 k( 273) = ( 0.0000000 -0.0778789 0.0330104), wk = 0.0035714 k( 274) = ( 0.0000000 -0.0667534 0.0282947), wk = 0.0035714 k( 275) = ( 0.0000000 -0.0556278 0.0235789), wk = 0.0035714 k( 276) = ( 0.0000000 -0.0445023 0.0188631), wk = 0.0035714 k( 277) = ( 0.0000000 -0.0333767 0.0141473), wk = 0.0035714 k( 278) = ( 0.0000000 -0.0222511 0.0094316), wk = 0.0035714 k( 279) = ( 0.0000000 -0.0111256 0.0047158), wk = 0.0035714 k( 280) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035714 cryst. coord. k( 1) = ( 0.0000000 -0.5000000 0.0000000), wk = 0.0035714 k( 2) = ( 0.0000000 -0.4833333 0.0000000), wk = 0.0035714 k( 3) = ( 0.0000000 -0.4666667 0.0000000), wk = 0.0035714 k( 4) = ( 0.0000000 -0.4500000 0.0000000), wk = 0.0035714 k( 5) = ( 0.0000000 -0.4333333 0.0000000), wk = 0.0035714 k( 6) = ( 0.0000000 -0.4166667 0.0000000), wk = 0.0035714 k( 7) = ( 0.0000000 -0.4000000 0.0000000), wk = 0.0035714 k( 8) = ( 0.0000000 -0.3833333 -0.0000000), wk = 0.0035714 k( 9) = ( 0.0000000 -0.3666667 0.0000000), wk = 0.0035714 k( 10) = ( 0.0000000 -0.3500000 0.0000000), wk = 0.0035714 k( 11) = ( 0.0000000 -0.3333333 0.0000000), wk = 0.0035714 k( 12) = ( 0.0000000 -0.3166667 0.0000000), wk = 0.0035714 k( 13) = ( 0.0000000 -0.3000000 -0.0000000), wk = 0.0035714 k( 14) = ( 0.0000000 -0.2833333 0.0000000), wk = 0.0035714 k( 15) = ( 0.0000000 -0.2666667 0.0000000), wk = 0.0035714 k( 16) = ( 0.0000000 -0.2500000 0.0000000), wk = 0.0035714 k( 17) = ( 0.0000000 -0.2333333 0.0000000), wk = 0.0035714 k( 18) = ( 0.0000000 -0.2166667 0.0000000), wk = 0.0035714 k( 19) = ( 0.0000000 -0.2000000 0.0000000), wk = 0.0035714 k( 20) = ( 0.0000000 -0.1833333 0.0000000), wk = 0.0035714 k( 21) = ( 0.0000000 -0.1666667 -0.0000000), wk = 0.0035714 k( 22) = ( 0.0000000 -0.1500000 -0.0000000), wk = 0.0035714 k( 23) = ( 0.0000000 -0.1333333 -0.0000000), wk = 0.0035714 k( 24) = ( 0.0000000 -0.1166667 0.0000000), wk = 0.0035714 k( 25) = ( 0.0000000 -0.1000000 0.0000000), wk = 0.0035714 k( 26) = ( 0.0000000 -0.0833333 0.0000000), wk = 0.0035714 k( 27) = ( 0.0000000 -0.0666667 0.0000000), wk = 0.0035714 k( 28) = ( 0.0000000 -0.0500000 0.0000000), wk = 0.0035714 k( 29) = ( 0.0000000 -0.0333333 0.0000000), wk = 0.0035714 k( 30) = ( 0.0000000 -0.0166667 0.0000000), wk = 0.0035714 k( 31) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035714 k( 32) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035714 k( 33) = ( 0.0113636 -0.0000000 -0.0000000), wk = 0.0035714 k( 34) = ( 0.0227273 -0.0000000 -0.0000000), wk = 0.0035714 k( 35) = ( 0.0340909 -0.0000000 -0.0000000), wk = 0.0035714 k( 36) = ( 0.0454546 -0.0000000 -0.0000000), wk = 0.0035714 k( 37) = ( 0.0568182 0.0000000 -0.0000000), wk = 0.0035714 k( 38) = ( 0.0681818 -0.0000000 -0.0000000), wk = 0.0035714 k( 39) = ( 0.0795455 0.0000000 -0.0000000), wk = 0.0035714 k( 40) = ( 0.0909091 0.0000000 -0.0000000), wk = 0.0035714 k( 41) = ( 0.1022727 -0.0000000 -0.0000000), wk = 0.0035714 k( 42) = ( 0.1136364 0.0000000 -0.0000000), wk = 0.0035714 k( 43) = ( 0.1250000 0.0000000 -0.0000000), wk = 0.0035714 k( 44) = ( 0.1363636 -0.0000000 -0.0000000), wk = 0.0035714 k( 45) = ( 0.1477273 0.0000000 0.0000000), wk = 0.0035714 k( 46) = ( 0.1590909 -0.0000000 -0.0000000), wk = 0.0035714 k( 47) = ( 0.1704546 -0.0000000 -0.0000000), wk = 0.0035714 k( 48) = ( 0.1818182 0.0000000 -0.0000000), wk = 0.0035714 k( 49) = ( 0.1931818 -0.0000000 -0.0000000), wk = 0.0035714 k( 50) = ( 0.2045454 0.0000000 -0.0000000), wk = 0.0035714 k( 51) = ( 0.2159091 0.0000000 -0.0000000), wk = 0.0035714 k( 52) = ( 0.2272727 -0.0000000 -0.0000000), wk = 0.0035714 k( 53) = ( 0.2386364 0.0000000 0.0000000), wk = 0.0035714 k( 54) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0035714 k( 55) = ( 0.2613636 -0.0000000 -0.0000000), wk = 0.0035714 k( 56) = ( 0.2727273 0.0000000 -0.0000000), wk = 0.0035714 k( 57) = ( 0.2840909 -0.0000000 -0.0000000), wk = 0.0035714 k( 58) = ( 0.2954545 -0.0000000 -0.0000000), wk = 0.0035714 k( 59) = ( 0.3068182 0.0000000 -0.0000000), wk = 0.0035714 k( 60) = ( 0.3181818 -0.0000000 -0.0000000), wk = 0.0035714 k( 61) = ( 0.3295455 0.0000000 -0.0000000), wk = 0.0035714 k( 62) = ( 0.3409091 0.0000000 -0.0000000), wk = 0.0035714 k( 63) = ( 0.3522727 -0.0000000 -0.0000000), wk = 0.0035714 k( 64) = ( 0.3636364 0.0000000 -0.0000000), wk = 0.0035714 k( 65) = ( 0.3750000 -0.0000000 -0.0000000), wk = 0.0035714 k( 66) = ( 0.3863636 -0.0000000 -0.0000000), wk = 0.0035714 k( 67) = ( 0.3977273 0.0000000 -0.0000000), wk = 0.0035714 k( 68) = ( 0.4090909 -0.0000000 -0.0000000), wk = 0.0035714 k( 69) = ( 0.4204545 -0.0000000 -0.0000000), wk = 0.0035714 k( 70) = ( 0.4318182 0.0000000 -0.0000000), wk = 0.0035714 k( 71) = ( 0.4431818 0.0000000 -0.0000000), wk = 0.0035714 k( 72) = ( 0.4545455 -0.0000000 -0.0000000), wk = 0.0035714 k( 73) = ( 0.4659091 -0.0000000 -0.0000000), wk = 0.0035714 k( 74) = ( 0.4772727 0.0000000 -0.0000000), wk = 0.0035714 k( 75) = ( 0.4886364 -0.0000000 -0.0000000), wk = 0.0035714 k( 76) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0035714 k( 77) = ( 0.5000000 -0.5000000 -0.0000000), wk = 0.0035714 k( 78) = ( 0.4888889 -0.4888889 -0.0000000), wk = 0.0035714 k( 79) = ( 0.4777778 -0.4777778 -0.0000000), wk = 0.0035714 k( 80) = ( 0.4666667 -0.4666667 0.0000000), wk = 0.0035714 k( 81) = ( 0.4555556 -0.4555556 0.0000000), wk = 0.0035714 k( 82) = ( 0.4444444 -0.4444444 -0.0000000), wk = 0.0035714 k( 83) = ( 0.4333333 -0.4333333 -0.0000000), wk = 0.0035714 k( 84) = ( 0.4222222 -0.4222222 -0.0000000), wk = 0.0035714 k( 85) = ( 0.4111111 -0.4111111 -0.0000000), wk = 0.0035714 k( 86) = ( 0.4000000 -0.4000000 0.0000000), wk = 0.0035714 k( 87) = ( 0.3888889 -0.3888889 -0.0000000), wk = 0.0035714 k( 88) = ( 0.3777778 -0.3777778 0.0000000), wk = 0.0035714 k( 89) = ( 0.3666667 -0.3666667 -0.0000000), wk = 0.0035714 k( 90) = ( 0.3555556 -0.3555556 -0.0000000), wk = 0.0035714 k( 91) = ( 0.3444444 -0.3444444 -0.0000000), wk = 0.0035714 k( 92) = ( 0.3333333 -0.3333333 0.0000000), wk = 0.0035714 k( 93) = ( 0.3222222 -0.3222222 -0.0000000), wk = 0.0035714 k( 94) = ( 0.3111111 -0.3111111 -0.0000000), wk = 0.0035714 k( 95) = ( 0.3000000 -0.3000000 0.0000000), wk = 0.0035714 k( 96) = ( 0.2888889 -0.2888889 -0.0000000), wk = 0.0035714 k( 97) = ( 0.2777778 -0.2777778 -0.0000000), wk = 0.0035714 k( 98) = ( 0.2666667 -0.2666667 -0.0000000), wk = 0.0035714 k( 99) = ( 0.2555556 -0.2555556 -0.0000000), wk = 0.0035714 k( 100) = ( 0.2444444 -0.2444444 -0.0000000), wk = 0.0035714 k( 101) = ( 0.2333333 -0.2333333 0.0000000), wk = 0.0035714 k( 102) = ( 0.2222222 -0.2222222 -0.0000000), wk = 0.0035714 k( 103) = ( 0.2111111 -0.2111111 -0.0000000), wk = 0.0035714 k( 104) = ( 0.2000000 -0.2000000 0.0000000), wk = 0.0035714 k( 105) = ( 0.1888889 -0.1888889 0.0000000), wk = 0.0035714 k( 106) = ( 0.1777778 -0.1777778 -0.0000000), wk = 0.0035714 k( 107) = ( 0.1666667 -0.1666667 -0.0000000), wk = 0.0035714 k( 108) = ( 0.1555556 -0.1555556 0.0000000), wk = 0.0035714 k( 109) = ( 0.1444444 -0.1444444 -0.0000000), wk = 0.0035714 k( 110) = ( 0.1333333 -0.1333333 -0.0000000), wk = 0.0035714 k( 111) = ( 0.1222222 -0.1222222 -0.0000000), wk = 0.0035714 k( 112) = ( 0.1111111 -0.1111111 -0.0000000), wk = 0.0035714 k( 113) = ( 0.1000000 -0.1000000 0.0000000), wk = 0.0035714 k( 114) = ( 0.0888889 -0.0888889 -0.0000000), wk = 0.0035714 k( 115) = ( 0.0777778 -0.0777778 0.0000000), wk = 0.0035714 k( 116) = ( 0.0666667 -0.0666667 -0.0000000), wk = 0.0035714 k( 117) = ( 0.0555556 -0.0555556 -0.0000000), wk = 0.0035714 k( 118) = ( 0.0444444 -0.0444444 -0.0000000), wk = 0.0035714 k( 119) = ( 0.0333333 -0.0333333 -0.0000000), wk = 0.0035714 k( 120) = ( 0.0222222 -0.0222222 -0.0000000), wk = 0.0035714 k( 121) = ( 0.0111111 -0.0111111 -0.0000000), wk = 0.0035714 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035714 k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035714 k( 124) = ( -0.0113636 0.0000000 0.0113636), wk = 0.0035714 k( 125) = ( -0.0227273 0.0000000 0.0227273), wk = 0.0035714 k( 126) = ( -0.0340909 0.0000000 0.0340909), wk = 0.0035714 k( 127) = ( -0.0454546 0.0000000 0.0454546), wk = 0.0035714 k( 128) = ( -0.0568182 -0.0000000 0.0568182), wk = 0.0035714 k( 129) = ( -0.0681818 0.0000000 0.0681818), wk = 0.0035714 k( 130) = ( -0.0795455 -0.0000000 0.0795455), wk = 0.0035714 k( 131) = ( -0.0909091 -0.0000000 0.0909091), wk = 0.0035714 k( 132) = ( -0.1022727 0.0000000 0.1022727), wk = 0.0035714 k( 133) = ( -0.1136364 -0.0000000 0.1136364), wk = 0.0035714 k( 134) = ( -0.1250000 0.0000000 0.1250000), wk = 0.0035714 k( 135) = ( -0.1363636 0.0000000 0.1363636), wk = 0.0035714 k( 136) = ( -0.1477273 -0.0000000 0.1477273), wk = 0.0035714 k( 137) = ( -0.1590909 0.0000000 0.1590909), wk = 0.0035714 k( 138) = ( -0.1704546 0.0000000 0.1704546), wk = 0.0035714 k( 139) = ( -0.1818182 -0.0000000 0.1818182), wk = 0.0035714 k( 140) = ( -0.1931818 0.0000000 0.1931818), wk = 0.0035714 k( 141) = ( -0.2045454 -0.0000000 0.2045454), wk = 0.0035714 k( 142) = ( -0.2159091 -0.0000000 0.2159091), wk = 0.0035714 k( 143) = ( -0.2272727 0.0000000 0.2272727), wk = 0.0035714 k( 144) = ( -0.2386364 -0.0000000 0.2386364), wk = 0.0035714 k( 145) = ( -0.2500000 0.0000000 0.2500000), wk = 0.0035714 k( 146) = ( -0.2613636 0.0000000 0.2613636), wk = 0.0035714 k( 147) = ( -0.2727273 -0.0000000 0.2727273), wk = 0.0035714 k( 148) = ( -0.2840909 0.0000000 0.2840909), wk = 0.0035714 k( 149) = ( -0.2954545 0.0000000 0.2954545), wk = 0.0035714 k( 150) = ( -0.3068182 -0.0000000 0.3068182), wk = 0.0035714 k( 151) = ( -0.3181818 0.0000000 0.3181818), wk = 0.0035714 k( 152) = ( -0.3295455 -0.0000000 0.3295455), wk = 0.0035714 k( 153) = ( -0.3409091 -0.0000000 0.3409091), wk = 0.0035714 k( 154) = ( -0.3522727 0.0000000 0.3522727), wk = 0.0035714 k( 155) = ( -0.3636364 -0.0000000 0.3636364), wk = 0.0035714 k( 156) = ( -0.3750000 0.0000000 0.3750000), wk = 0.0035714 k( 157) = ( -0.3863636 0.0000000 0.3863636), wk = 0.0035714 k( 158) = ( -0.3977273 -0.0000000 0.3977273), wk = 0.0035714 k( 159) = ( -0.4090909 0.0000000 0.4090909), wk = 0.0035714 k( 160) = ( -0.4204545 0.0000000 0.4204546), wk = 0.0035714 k( 161) = ( -0.4318182 -0.0000000 0.4318182), wk = 0.0035714 k( 162) = ( -0.4431818 -0.0000000 0.4431818), wk = 0.0035714 k( 163) = ( -0.4545455 0.0000000 0.4545455), wk = 0.0035714 k( 164) = ( -0.4659091 0.0000000 0.4659091), wk = 0.0035714 k( 165) = ( -0.4772727 -0.0000000 0.4772727), wk = 0.0035714 k( 166) = ( -0.4886364 0.0000000 0.4886364), wk = 0.0035714 k( 167) = ( -0.5000000 0.0000000 0.5000000), wk = 0.0035714 k( 168) = ( -0.5000000 -0.5000000 0.5000000), wk = 0.0035714 k( 169) = ( -0.4913793 -0.4913793 0.4913793), wk = 0.0035714 k( 170) = ( -0.4827586 -0.4827586 0.4827586), wk = 0.0035714 k( 171) = ( -0.4741379 -0.4741379 0.4741379), wk = 0.0035714 k( 172) = ( -0.4655172 -0.4655172 0.4655172), wk = 0.0035714 k( 173) = ( -0.4568966 -0.4568966 0.4568966), wk = 0.0035714 k( 174) = ( -0.4482759 -0.4482759 0.4482759), wk = 0.0035714 k( 175) = ( -0.4396552 -0.4396552 0.4396552), wk = 0.0035714 k( 176) = ( -0.4310345 -0.4310345 0.4310345), wk = 0.0035714 k( 177) = ( -0.4224138 -0.4224138 0.4224138), wk = 0.0035714 k( 178) = ( -0.4137931 -0.4137931 0.4137931), wk = 0.0035714 k( 179) = ( -0.4051724 -0.4051724 0.4051724), wk = 0.0035714 k( 180) = ( -0.3965517 -0.3965517 0.3965517), wk = 0.0035714 k( 181) = ( -0.3879310 -0.3879310 0.3879310), wk = 0.0035714 k( 182) = ( -0.3793103 -0.3793103 0.3793103), wk = 0.0035714 k( 183) = ( -0.3706897 -0.3706897 0.3706897), wk = 0.0035714 k( 184) = ( -0.3620690 -0.3620690 0.3620690), wk = 0.0035714 k( 185) = ( -0.3534483 -0.3534483 0.3534483), wk = 0.0035714 k( 186) = ( -0.3448276 -0.3448276 0.3448276), wk = 0.0035714 k( 187) = ( -0.3362069 -0.3362069 0.3362069), wk = 0.0035714 k( 188) = ( -0.3275862 -0.3275862 0.3275862), wk = 0.0035714 k( 189) = ( -0.3189655 -0.3189655 0.3189655), wk = 0.0035714 k( 190) = ( -0.3103448 -0.3103448 0.3103448), wk = 0.0035714 k( 191) = ( -0.3017241 -0.3017241 0.3017241), wk = 0.0035714 k( 192) = ( -0.2931034 -0.2931034 0.2931034), wk = 0.0035714 k( 193) = ( -0.2844828 -0.2844828 0.2844828), wk = 0.0035714 k( 194) = ( -0.2758621 -0.2758621 0.2758621), wk = 0.0035714 k( 195) = ( -0.2672414 -0.2672414 0.2672414), wk = 0.0035714 k( 196) = ( -0.2586207 -0.2586207 0.2586207), wk = 0.0035714 k( 197) = ( -0.2500000 -0.2500000 0.2500000), wk = 0.0035714 k( 198) = ( -0.2413793 -0.2413793 0.2413793), wk = 0.0035714 k( 199) = ( -0.2327586 -0.2327586 0.2327586), wk = 0.0035714 k( 200) = ( -0.2241379 -0.2241379 0.2241379), wk = 0.0035714 k( 201) = ( -0.2155172 -0.2155172 0.2155172), wk = 0.0035714 k( 202) = ( -0.2068966 -0.2068966 0.2068966), wk = 0.0035714 k( 203) = ( -0.1982759 -0.1982759 0.1982759), wk = 0.0035714 k( 204) = ( -0.1896552 -0.1896552 0.1896552), wk = 0.0035714 k( 205) = ( -0.1810345 -0.1810345 0.1810345), wk = 0.0035714 k( 206) = ( -0.1724138 -0.1724138 0.1724138), wk = 0.0035714 k( 207) = ( -0.1637931 -0.1637931 0.1637931), wk = 0.0035714 k( 208) = ( -0.1551724 -0.1551724 0.1551724), wk = 0.0035714 k( 209) = ( -0.1465517 -0.1465517 0.1465517), wk = 0.0035714 k( 210) = ( -0.1379310 -0.1379310 0.1379310), wk = 0.0035714 k( 211) = ( -0.1293103 -0.1293103 0.1293103), wk = 0.0035714 k( 212) = ( -0.1206897 -0.1206897 0.1206897), wk = 0.0035714 k( 213) = ( -0.1120690 -0.1120690 0.1120690), wk = 0.0035714 k( 214) = ( -0.1034483 -0.1034483 0.1034483), wk = 0.0035714 k( 215) = ( -0.0948276 -0.0948276 0.0948276), wk = 0.0035714 k( 216) = ( -0.0862069 -0.0862069 0.0862069), wk = 0.0035714 k( 217) = ( -0.0775862 -0.0775862 0.0775862), wk = 0.0035714 k( 218) = ( -0.0689655 -0.0689655 0.0689655), wk = 0.0035714 k( 219) = ( -0.0603448 -0.0603448 0.0603448), wk = 0.0035714 k( 220) = ( -0.0517241 -0.0517241 0.0517241), wk = 0.0035714 k( 221) = ( -0.0431035 -0.0431035 0.0431035), wk = 0.0035714 k( 222) = ( -0.0344828 -0.0344828 0.0344828), wk = 0.0035714 k( 223) = ( -0.0258621 -0.0258621 0.0258621), wk = 0.0035714 k( 224) = ( -0.0172414 -0.0172414 0.0172414), wk = 0.0035714 k( 225) = ( -0.0086207 -0.0086207 0.0086207), wk = 0.0035714 k( 226) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035714 k( 227) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035714 k( 228) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0035714 k( 229) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0035714 k( 230) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0035714 k( 231) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0035714 k( 232) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0035714 k( 233) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0035714 k( 234) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0035714 k( 235) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0035714 k( 236) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0035714 k( 237) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0035714 k( 238) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0035714 k( 239) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0035714 k( 240) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0035714 k( 241) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0035714 k( 242) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0035714 k( 243) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0035714 k( 244) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0035714 k( 245) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0035714 k( 246) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0035714 k( 247) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035714 k( 248) = ( 0.0000000 -0.5000000 0.5000000), wk = 0.0035714 k( 249) = ( 0.0000000 -0.4843750 0.4843750), wk = 0.0035714 k( 250) = ( 0.0000000 -0.4687500 0.4687500), wk = 0.0035714 k( 251) = ( 0.0000000 -0.4531250 0.4531250), wk = 0.0035714 k( 252) = ( 0.0000000 -0.4375000 0.4375000), wk = 0.0035714 k( 253) = ( 0.0000000 -0.4218750 0.4218750), wk = 0.0035714 k( 254) = ( 0.0000000 -0.4062500 0.4062500), wk = 0.0035714 k( 255) = ( 0.0000000 -0.3906250 0.3906250), wk = 0.0035714 k( 256) = ( 0.0000000 -0.3750000 0.3750000), wk = 0.0035714 k( 257) = ( 0.0000000 -0.3593750 0.3593750), wk = 0.0035714 k( 258) = ( 0.0000000 -0.3437500 0.3437500), wk = 0.0035714 k( 259) = ( 0.0000000 -0.3281250 0.3281250), wk = 0.0035714 k( 260) = ( 0.0000000 -0.3125000 0.3125000), wk = 0.0035714 k( 261) = ( 0.0000000 -0.2968750 0.2968750), wk = 0.0035714 k( 262) = ( 0.0000000 -0.2812500 0.2812500), wk = 0.0035714 k( 263) = ( 0.0000000 -0.2656250 0.2656250), wk = 0.0035714 k( 264) = ( 0.0000000 -0.2500000 0.2500000), wk = 0.0035714 k( 265) = ( 0.0000000 -0.2343750 0.2343750), wk = 0.0035714 k( 266) = ( 0.0000000 -0.2187500 0.2187500), wk = 0.0035714 k( 267) = ( 0.0000000 -0.2031250 0.2031250), wk = 0.0035714 k( 268) = ( 0.0000000 -0.1875000 0.1875000), wk = 0.0035714 k( 269) = ( 0.0000000 -0.1718750 0.1718750), wk = 0.0035714 k( 270) = ( 0.0000000 -0.1562500 0.1562500), wk = 0.0035714 k( 271) = ( 0.0000000 -0.1406250 0.1406250), wk = 0.0035714 k( 272) = ( 0.0000000 -0.1250000 0.1250000), wk = 0.0035714 k( 273) = ( 0.0000000 -0.1093750 0.1093750), wk = 0.0035714 k( 274) = ( 0.0000000 -0.0937500 0.0937500), wk = 0.0035714 k( 275) = ( 0.0000000 -0.0781250 0.0781250), wk = 0.0035714 k( 276) = ( 0.0000000 -0.0625000 0.0625000), wk = 0.0035714 k( 277) = ( 0.0000000 -0.0468750 0.0468750), wk = 0.0035714 k( 278) = ( 0.0000000 -0.0312500 0.0312500), wk = 0.0035714 k( 279) = ( 0.0000000 -0.0156250 0.0156250), wk = 0.0035714 k( 280) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035714 Dense grid: 112811 G-vectors FFT dimensions: ( 45, 64, 96) Smooth grid: 49145 G-vectors FFT dimensions: ( 32, 48, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.37 Mb ( 358, 68) NL pseudopotentials 0.43 Mb ( 179, 156) Each V/rho on FFT grid 0.13 Mb ( 8640) Each G-vector array 0.02 Mb ( 3135) G-vector shells 0.02 Mb ( 2939) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.49 Mb ( 358, 272) Each subspace H/S matrix 0.07 Mb ( 68, 68) Each matrix 0.32 Mb ( 156, 2, 68) Check: negative/imaginary core charge= -0.000008 0.000000 The potential is recalculated from file : ./H4C3O2.save/charge-density.dat Starting wfc are 96 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.6 secs Computing kpt #: 2 total cpu time spent up to now is 4.4 secs Computing kpt #: 3 total cpu time spent up to now is 5.4 secs Computing kpt #: 4 total cpu time spent up to now is 6.2 secs Computing kpt #: 5 total cpu time spent up to now is 7.0 secs Computing kpt #: 6 total cpu time spent up to now is 7.7 secs Computing kpt #: 7 total cpu time spent up to now is 8.4 secs Computing kpt #: 8 total cpu time spent up to now is 9.1 secs Computing kpt #: 9 total cpu time spent up to now is 9.8 secs Computing kpt #: 10 total cpu time spent up to now is 10.6 secs Computing kpt #: 11 total cpu time spent up to now is 11.3 secs Computing kpt #: 12 total cpu time spent up to now is 12.0 secs Computing kpt #: 13 total cpu time spent up to now is 12.7 secs Computing kpt #: 14 total cpu time spent up to now is 13.4 secs Computing kpt #: 15 total cpu time spent up to now is 14.1 secs Computing kpt #: 16 total cpu time spent up to now is 14.8 secs Computing kpt #: 17 total cpu time spent up to now is 15.5 secs Computing kpt #: 18 total cpu time spent up to now is 16.2 secs Computing kpt #: 19 total cpu time spent up to now is 16.9 secs Computing kpt #: 20 total cpu time spent up to now is 17.6 secs Computing kpt #: 21 total cpu time spent up to now is 18.3 secs Computing kpt #: 22 total cpu time spent up to now is 19.0 secs Computing kpt #: 23 total cpu time spent up to now is 19.6 secs Computing kpt #: 24 total cpu time spent up to now is 20.3 secs Computing kpt #: 25 total cpu time spent up to now is 21.0 secs Computing kpt #: 26 total cpu time spent up to now is 21.6 secs Computing kpt #: 27 total cpu time spent up to now is 22.3 secs Computing kpt #: 28 total cpu time spent up to now is 23.0 secs Computing kpt #: 29 total cpu time spent up to now is 23.6 secs Computing kpt #: 30 total cpu time spent up to now is 24.3 secs Computing kpt #: 31 total cpu time spent up to now is 24.9 secs Computing kpt #: 32 total cpu time spent up to now is 25.6 secs Computing kpt #: 33 total cpu time spent up to now is 26.3 secs Computing kpt #: 34 total cpu time spent up to now is 26.9 secs Computing kpt #: 35 total cpu time spent up to now is 27.6 secs Computing kpt #: 36 total cpu time spent up to now is 28.3 secs Computing kpt #: 37 total cpu time spent up to now is 28.9 secs Computing kpt #: 38 total cpu time spent up to now is 29.6 secs Computing kpt #: 39 total cpu time spent up to now is 30.3 secs Computing kpt #: 40 total cpu time spent up to now is 30.9 secs Computing kpt #: 41 total cpu time spent up to now is 31.6 secs Computing kpt #: 42 total cpu time spent up to now is 32.2 secs Computing kpt #: 43 total cpu time spent up to now is 32.9 secs Computing kpt #: 44 total cpu time spent up to now is 33.6 secs Computing kpt #: 45 total cpu time spent up to now is 34.3 secs Computing kpt #: 46 total cpu time spent up to now is 34.9 secs Computing kpt #: 47 total cpu time spent up to now is 35.6 secs Computing kpt #: 48 total cpu time spent up to now is 36.3 secs Computing kpt #: 49 total cpu time spent up to now is 36.9 secs Computing kpt #: 50 total cpu time spent up to now is 37.6 secs Computing kpt #: 51 total cpu time spent up to now is 38.3 secs Computing kpt #: 52 total cpu time spent up to now is 38.9 secs Computing kpt #: 53 total cpu time spent up to now is 39.6 secs Computing kpt #: 54 total cpu time spent up to now is 40.3 secs Computing kpt #: 55 total cpu time spent up to now is 41.0 secs Computing kpt #: 56 total cpu time spent up to now is 41.6 secs Computing kpt #: 57 total cpu time spent up to now is 42.3 secs Computing kpt #: 58 total cpu time spent up to now is 43.0 secs Computing kpt #: 59 total cpu time spent up to now is 43.7 secs Computing kpt #: 60 total cpu time spent up to now is 44.4 secs Computing kpt #: 61 total cpu time spent up to now is 45.1 secs Computing kpt #: 62 total cpu time spent up to now is 45.8 secs Computing kpt #: 63 total cpu time spent up to now is 46.5 secs Computing kpt #: 64 total cpu time spent up to now is 47.3 secs Computing kpt #: 65 total cpu time spent up to now is 48.0 secs Computing kpt #: 66 total cpu time spent up to now is 48.7 secs Computing kpt #: 67 total cpu time spent up to now is 49.5 secs Computing kpt #: 68 total cpu time spent up to now is 50.2 secs Computing kpt #: 69 total cpu time spent up to now is 51.1 secs Computing kpt #: 70 total cpu time spent up to now is 51.9 secs Computing kpt #: 71 total cpu time spent up to now is 52.6 secs Computing kpt #: 72 total cpu time spent up to now is 53.4 secs Computing kpt #: 73 total cpu time spent up to now is 54.3 secs Computing kpt #: 74 total cpu time spent up to now is 55.1 secs Computing kpt #: 75 total cpu time spent up to now is 55.9 secs Computing kpt #: 76 total cpu time spent up to now is 56.7 secs Computing kpt #: 77 total cpu time spent up to now is 57.6 secs Computing kpt #: 78 total cpu time spent up to now is 58.6 secs Computing kpt #: 79 total cpu time spent up to now is 59.5 secs Computing kpt #: 80 total cpu time spent up to now is 60.5 secs Computing kpt #: 81 total cpu time spent up to now is 61.4 secs Computing kpt #: 82 total cpu time spent up to now is 62.3 secs Computing kpt #: 83 total cpu time spent up to now is 63.2 secs Computing kpt #: 84 total cpu time spent up to now is 64.0 secs Computing kpt #: 85 total cpu time spent up to now is 64.8 secs Computing kpt #: 86 total cpu time spent up to now is 65.7 secs Computing kpt #: 87 total cpu time spent up to now is 66.5 secs Computing kpt #: 88 total cpu time spent up to now is 67.3 secs Computing kpt #: 89 total cpu time spent up to now is 68.0 secs Computing kpt #: 90 total cpu time spent up to now is 68.8 secs Computing kpt #: 91 total cpu time spent up to now is 69.5 secs Computing kpt #: 92 total cpu time spent up to now is 70.2 secs Computing kpt #: 93 total cpu time spent up to now is 70.9 secs Computing kpt #: 94 total cpu time spent up to now is 71.7 secs Computing kpt #: 95 total cpu time spent up to now is 72.4 secs Computing kpt #: 96 total cpu time spent up to now is 73.1 secs Computing kpt #: 97 total cpu time spent up to now is 73.8 secs Computing kpt #: 98 total cpu time spent up to now is 74.9 secs Computing kpt #: 99 total cpu time spent up to now is 75.6 secs Computing kpt #: 100 total cpu time spent up to now is 76.3 secs Computing kpt #: 101 total cpu time spent up to now is 76.9 secs Computing kpt #: 102 total cpu time spent up to now is 77.6 secs Computing kpt #: 103 total cpu time spent up to now is 78.3 secs Computing kpt #: 104 total cpu time spent up to now is 79.0 secs Computing kpt #: 105 total cpu time spent up to now is 79.7 secs Computing kpt #: 106 total cpu time spent up to now is 80.4 secs Computing kpt #: 107 total cpu time spent up to now is 81.1 secs Computing kpt #: 108 total cpu time spent up to now is 81.8 secs Computing kpt #: 109 total cpu time spent up to now is 82.4 secs Computing kpt #: 110 total cpu time spent up to now is 83.1 secs Computing kpt #: 111 total cpu time spent up to now is 83.8 secs Computing kpt #: 112 total cpu time spent up to now is 84.4 secs Computing kpt #: 113 total cpu time spent up to now is 85.1 secs Computing kpt #: 114 total cpu time spent up to now is 85.8 secs Computing kpt #: 115 total cpu time spent up to now is 86.4 secs Computing kpt #: 116 total cpu time spent up to now is 87.1 secs Computing kpt #: 117 total cpu time spent up to now is 87.8 secs Computing kpt #: 118 total cpu time spent up to now is 88.4 secs Computing kpt #: 119 total cpu time spent up to now is 89.1 secs Computing kpt #: 120 total cpu time spent up to now is 89.7 secs Computing kpt #: 121 total cpu time spent up to now is 90.4 secs Computing kpt #: 122 total cpu time spent up to now is 91.1 secs Computing kpt #: 123 total cpu time spent up to now is 91.7 secs Computing kpt #: 124 total cpu time spent up to now is 92.4 secs Computing kpt #: 125 total cpu time spent up to now is 93.0 secs Computing kpt #: 126 total cpu time spent up to now is 93.7 secs Computing kpt #: 127 total cpu time spent up to now is 94.4 secs Computing kpt #: 128 total cpu time spent up to now is 95.0 secs Computing kpt #: 129 total cpu time spent up to now is 95.7 secs Computing kpt #: 130 total cpu time spent up to now is 96.4 secs Computing kpt #: 131 total cpu time spent up to now is 97.0 secs Computing kpt #: 132 total cpu time spent up to now is 97.7 secs Computing kpt #: 133 total cpu time spent up to now is 98.4 secs Computing kpt #: 134 total cpu time spent up to now is 99.0 secs Computing kpt #: 135 total cpu time spent up to now is 99.7 secs Computing kpt #: 136 total cpu time spent up to now is 100.4 secs Computing kpt #: 137 total cpu time spent up to now is 101.0 secs Computing kpt #: 138 total cpu time spent up to now is 101.7 secs Computing kpt #: 139 total cpu time spent up to now is 102.4 secs Computing kpt #: 140 total cpu time spent up to now is 103.1 secs Computing kpt #: 141 total cpu time spent up to now is 103.8 secs Computing kpt #: 142 total cpu time spent up to now is 104.5 secs Computing kpt #: 143 total cpu time spent up to now is 105.2 secs Computing kpt #: 144 total cpu time spent up to now is 105.9 secs Computing kpt #: 145 total cpu time spent up to now is 106.6 secs Computing kpt #: 146 total cpu time spent up to now is 107.2 secs Computing kpt #: 147 total cpu time spent up to now is 108.0 secs Computing kpt #: 148 total cpu time spent up to now is 108.7 secs Computing kpt #: 149 total cpu time spent up to now is 109.4 secs Computing kpt #: 150 total cpu time spent up to now is 110.2 secs Computing kpt #: 151 total cpu time spent up to now is 110.9 secs Computing kpt #: 152 total cpu time spent up to now is 111.6 secs Computing kpt #: 153 total cpu time spent up to now is 112.3 secs Computing kpt #: 154 total cpu time spent up to now is 113.1 secs Computing kpt #: 155 total cpu time spent up to now is 113.8 secs Computing kpt #: 156 total cpu time spent up to now is 114.6 secs Computing kpt #: 157 total cpu time spent up to now is 115.4 secs Computing kpt #: 158 total cpu time spent up to now is 116.2 secs Computing kpt #: 159 total cpu time spent up to now is 117.1 secs Computing kpt #: 160 total cpu time spent up to now is 117.9 secs Computing kpt #: 161 total cpu time spent up to now is 118.7 secs Computing kpt #: 162 total cpu time spent up to now is 119.6 secs Computing kpt #: 163 total cpu time spent up to now is 120.4 secs Computing kpt #: 164 total cpu time spent up to now is 121.2 secs Computing kpt #: 165 total cpu time spent up to now is 122.1 secs Computing kpt #: 166 total cpu time spent up to now is 122.9 secs Computing kpt #: 167 total cpu time spent up to now is 123.7 secs Computing kpt #: 168 total cpu time spent up to now is 124.6 secs Computing kpt #: 169 total cpu time spent up to now is 125.5 secs Computing kpt #: 170 total cpu time spent up to now is 126.4 secs Computing kpt #: 171 total cpu time spent up to now is 127.2 secs Computing kpt #: 172 total cpu time spent up to now is 128.0 secs Computing kpt #: 173 total cpu time spent up to now is 128.8 secs Computing kpt #: 174 total cpu time spent up to now is 129.6 secs Computing kpt #: 175 total cpu time spent up to now is 130.4 secs Computing kpt #: 176 total cpu time spent up to now is 131.3 secs Computing kpt #: 177 total cpu time spent up to now is 132.1 secs Computing kpt #: 178 total cpu time spent up to now is 132.9 secs Computing kpt #: 179 total cpu time spent up to now is 133.8 secs Computing kpt #: 180 total cpu time spent up to now is 134.6 secs Computing kpt #: 181 total cpu time spent up to now is 135.5 secs Computing kpt #: 182 total cpu time spent up to now is 136.3 secs Computing kpt #: 183 total cpu time spent up to now is 137.2 secs Computing kpt #: 184 total cpu time spent up to now is 138.0 secs Computing kpt #: 185 total cpu time spent up to now is 138.9 secs Computing kpt #: 186 total cpu time spent up to now is 139.7 secs Computing kpt #: 187 total cpu time spent up to now is 140.5 secs Computing kpt #: 188 total cpu time spent up to now is 141.4 secs Computing kpt #: 189 total cpu time spent up to now is 142.2 secs Computing kpt #: 190 total cpu time spent up to now is 143.0 secs Computing kpt #: 191 total cpu time spent up to now is 143.7 secs Computing kpt #: 192 total cpu time spent up to now is 144.5 secs Computing kpt #: 193 total cpu time spent up to now is 145.2 secs Computing kpt #: 194 total cpu time spent up to now is 146.0 secs Computing kpt #: 195 total cpu time spent up to now is 146.7 secs Computing kpt #: 196 total cpu time spent up to now is 147.4 secs Computing kpt #: 197 total cpu time spent up to now is 148.1 secs Computing kpt #: 198 total cpu time spent up to now is 148.8 secs Computing kpt #: 199 total cpu time spent up to now is 149.5 secs Computing kpt #: 200 total cpu time spent up to now is 150.2 secs Computing kpt #: 201 total cpu time spent up to now is 150.9 secs Computing kpt #: 202 total cpu time spent up to now is 151.6 secs Computing kpt #: 203 total cpu time spent up to now is 152.3 secs Computing kpt #: 204 total cpu time spent up to now is 153.0 secs Computing kpt #: 205 total cpu time spent up to now is 153.7 secs Computing kpt #: 206 total cpu time spent up to now is 154.4 secs Computing kpt #: 207 total cpu time spent up to now is 155.1 secs Computing kpt #: 208 total cpu time spent up to now is 155.8 secs Computing kpt #: 209 total cpu time spent up to now is 156.5 secs Computing kpt #: 210 total cpu time spent up to now is 157.2 secs Computing kpt #: 211 total cpu time spent up to now is 157.8 secs Computing kpt #: 212 total cpu time spent up to now is 158.5 secs Computing kpt #: 213 total cpu time spent up to now is 159.2 secs Computing kpt #: 214 total cpu time spent up to now is 159.9 secs Computing kpt #: 215 total cpu time spent up to now is 160.5 secs Computing kpt #: 216 total cpu time spent up to now is 161.2 secs Computing kpt #: 217 total cpu time spent up to now is 161.9 secs Computing kpt #: 218 total cpu time spent up to now is 162.5 secs Computing kpt #: 219 total cpu time spent up to now is 163.2 secs Computing kpt #: 220 total cpu time spent up to now is 163.9 secs Computing kpt #: 221 total cpu time spent up to now is 164.5 secs Computing kpt #: 222 total cpu time spent up to now is 165.2 secs Computing kpt #: 223 total cpu time spent up to now is 165.9 secs Computing kpt #: 224 total cpu time spent up to now is 166.5 secs Computing kpt #: 225 total cpu time spent up to now is 167.2 secs Computing kpt #: 226 total cpu time spent up to now is 167.9 secs Computing kpt #: 227 total cpu time spent up to now is 168.5 secs Computing kpt #: 228 total cpu time spent up to now is 169.2 secs Computing kpt #: 229 total cpu time spent up to now is 169.8 secs Computing kpt #: 230 total cpu time spent up to now is 170.5 secs Computing kpt #: 231 total cpu time spent up to now is 171.2 secs Computing kpt #: 232 total cpu time spent up to now is 171.8 secs Computing kpt #: 233 total cpu time spent up to now is 172.5 secs Computing kpt #: 234 total cpu time spent up to now is 173.2 secs Computing kpt #: 235 total cpu time spent up to now is 173.8 secs Computing kpt #: 236 total cpu time spent up to now is 174.4 secs Computing kpt #: 237 total cpu time spent up to now is 175.1 secs Computing kpt #: 238 total cpu time spent up to now is 175.7 secs Computing kpt #: 239 total cpu time spent up to now is 176.4 secs Computing kpt #: 240 total cpu time spent up to now is 177.0 secs Computing kpt #: 241 total cpu time spent up to now is 177.7 secs Computing kpt #: 242 total cpu time spent up to now is 178.3 secs Computing kpt #: 243 total cpu time spent up to now is 179.0 secs Computing kpt #: 244 total cpu time spent up to now is 179.7 secs Computing kpt #: 245 total cpu time spent up to now is 180.3 secs Computing kpt #: 246 total cpu time spent up to now is 181.0 secs Computing kpt #: 247 total cpu time spent up to now is 181.6 secs Computing kpt #: 248 total cpu time spent up to now is 182.5 secs Computing kpt #: 249 total cpu time spent up to now is 183.2 secs Computing kpt #: 250 total cpu time spent up to now is 183.9 secs Computing kpt #: 251 total cpu time spent up to now is 184.7 secs Computing kpt #: 252 total cpu time spent up to now is 185.4 secs Computing kpt #: 253 total cpu time spent up to now is 186.1 secs Computing kpt #: 254 total cpu time spent up to now is 186.8 secs Computing kpt #: 255 total cpu time spent up to now is 187.5 secs Computing kpt #: 256 total cpu time spent up to now is 188.3 secs Computing kpt #: 257 total cpu time spent up to now is 189.0 secs Computing kpt #: 258 total cpu time spent up to now is 189.7 secs Computing kpt #: 259 total cpu time spent up to now is 190.4 secs Computing kpt #: 260 total cpu time spent up to now is 191.1 secs Computing kpt #: 261 total cpu time spent up to now is 191.8 secs Computing kpt #: 262 total cpu time spent up to now is 192.5 secs Computing kpt #: 263 total cpu time spent up to now is 193.1 secs Computing kpt #: 264 total cpu time spent up to now is 193.8 secs Computing kpt #: 265 total cpu time spent up to now is 194.5 secs Computing kpt #: 266 total cpu time spent up to now is 195.2 secs Computing kpt #: 267 total cpu time spent up to now is 195.9 secs Computing kpt #: 268 total cpu time spent up to now is 196.5 secs Computing kpt #: 269 total cpu time spent up to now is 197.2 secs Computing kpt #: 270 total cpu time spent up to now is 197.9 secs Computing kpt #: 271 total cpu time spent up to now is 198.5 secs Computing kpt #: 272 total cpu time spent up to now is 199.2 secs Computing kpt #: 273 total cpu time spent up to now is 199.8 secs Computing kpt #: 274 total cpu time spent up to now is 200.5 secs Computing kpt #: 275 total cpu time spent up to now is 201.2 secs Computing kpt #: 276 total cpu time spent up to now is 201.8 secs Computing kpt #: 277 total cpu time spent up to now is 202.5 secs Computing kpt #: 278 total cpu time spent up to now is 203.2 secs Computing kpt #: 279 total cpu time spent up to now is 203.8 secs Computing kpt #: 280 total cpu time spent up to now is 204.5 secs ethr = 1.79E-08, avg # of iterations = 18.9 total cpu time spent up to now is 204.5 secs End of band structure calculation k = 0.0000-0.3560-0.0918 ( 6140 PWs) bands (ev): -21.7121 -21.7121 -21.7031 -21.7031 -19.4364 -19.4364 -19.4241 -19.4241 -14.3466 -14.3466 -12.8889 -12.8889 -12.3910 -12.3910 -10.2627 -10.2627 -8.4009 -8.4009 -7.7175 -7.7175 -7.2555 -7.2555 -6.0178 -6.0178 -5.9654 -5.9654 -5.6606 -5.6606 -5.4307 -5.4307 -5.2126 -5.2126 -4.7329 -4.7329 -4.3408 -4.3408 -3.9447 -3.9447 -3.8718 -3.8718 -3.6792 -3.6792 -2.5048 -2.5048 -2.3269 -2.3269 -1.4817 -1.4817 -1.3566 -1.3566 -0.9517 -0.9517 -0.4146 -0.4146 -0.3642 -0.3642 3.0623 3.0623 5.8865 5.8865 6.8890 6.8890 7.1710 7.1710 7.5117 7.5117 8.2503 8.2503 k = 0.0000-0.3442-0.0887 ( 6142 PWs) bands (ev): -21.7123 -21.7123 -21.7030 -21.7030 -19.4364 -19.4364 -19.4240 -19.4240 -14.3465 -14.3465 -12.8899 -12.8899 -12.3899 -12.3899 -10.2639 -10.2639 -8.3993 -8.3993 -7.7174 -7.7174 -7.2558 -7.2558 -6.0226 -6.0226 -5.9609 -5.9609 -5.6608 -5.6608 -5.4324 -5.4324 -5.2121 -5.2121 -4.7335 -4.7335 -4.3394 -4.3394 -3.9434 -3.9434 -3.8721 -3.8721 -3.6796 -3.6796 -2.5049 -2.5049 -2.3275 -2.3275 -1.4815 -1.4815 -1.3563 -1.3563 -0.9518 -0.9518 -0.4145 -0.4145 -0.3641 -0.3641 3.0627 3.0627 5.8864 5.8864 6.8886 6.8886 7.1684 7.1684 7.5098 7.5098 8.2504 8.2504 k = 0.0000-0.3323-0.0857 ( 6144 PWs) bands (ev): -21.7128 -21.7128 -21.7027 -21.7027 -19.4361 -19.4361 -19.4239 -19.4239 -14.3461 -14.3461 -12.8928 -12.8928 -12.3869 -12.3869 -10.2673 -10.2673 -8.3944 -8.3944 -7.7169 -7.7169 -7.2566 -7.2566 -6.0339 -6.0339 -5.9504 -5.9504 -5.6614 -5.6614 -5.4376 -5.4376 -5.2104 -5.2104 -4.7351 -4.7351 -4.3355 -4.3355 -3.9394 -3.9394 -3.8729 -3.8729 -3.6806 -3.6806 -2.5054 -2.5054 -2.3293 -2.3293 -1.4811 -1.4811 -1.3556 -1.3556 -0.9521 -0.9521 -0.4140 -0.4140 -0.3638 -0.3638 3.0638 3.0638 5.8862 5.8862 6.8872 6.8872 7.1606 7.1606 7.5042 7.5042 8.2506 8.2506 k = 0.0000-0.3204-0.0826 ( 6147 PWs) bands (ev): -21.7136 -21.7136 -21.7022 -21.7022 -19.4358 -19.4358 -19.4236 -19.4236 -14.3456 -14.3456 -12.8974 -12.8974 -12.3822 -12.3822 -10.2728 -10.2728 -8.3866 -8.3866 -7.7160 -7.7160 -7.2579 -7.2579 -6.0479 -6.0479 -5.9378 -5.9378 -5.6623 -5.6623 -5.4459 -5.4459 -5.2080 -5.2080 -4.7371 -4.7371 -4.3295 -4.3295 -3.9328 -3.9328 -3.8743 -3.8743 -3.6823 -3.6823 -2.5062 -2.5062 -2.3322 -2.3322 -1.4803 -1.4803 -1.3543 -1.3543 -0.9527 -0.9527 -0.4133 -0.4133 -0.3633 -0.3633 3.0656 3.0656 5.8858 5.8858 6.8848 6.8848 7.1481 7.1481 7.4954 7.4954 8.2502 8.2502 k = 0.0000-0.3085-0.0795 ( 6149 PWs) bands (ev): -21.7145 -21.7145 -21.7016 -21.7016 -19.4353 -19.4353 -19.4232 -19.4232 -14.3448 -14.3448 -12.9035 -12.9035 -12.3760 -12.3760 -10.2800 -10.2800 -8.3760 -8.3760 -7.7148 -7.7148 -7.2598 -7.2598 -6.0629 -6.0629 -5.9247 -5.9247 -5.6638 -5.6638 -5.4571 -5.4571 -5.2053 -5.2053 -4.7383 -4.7383 -4.3223 -4.3223 -3.9238 -3.9238 -3.8762 -3.8762 -3.6847 -3.6847 -2.5072 -2.5072 -2.3364 -2.3364 -1.4792 -1.4792 -1.3525 -1.3525 -0.9535 -0.9535 -0.4122 -0.4122 -0.3626 -0.3626 3.0681 3.0681 5.8853 5.8853 6.8813 6.8813 7.1313 7.1313 7.4838 7.4838 8.2481 8.2481 k = 0.0000-0.2967-0.0765 ( 6143 PWs) bands (ev): -21.7157 -21.7157 -21.7010 -21.7010 -19.4346 -19.4346 -19.4226 -19.4226 -14.3438 -14.3438 -12.9107 -12.9107 -12.3688 -12.3688 -10.2887 -10.2887 -8.3633 -8.3633 -7.7129 -7.7129 -7.2622 -7.2622 -6.0781 -6.0781 -5.9117 -5.9117 -5.6658 -5.6658 -5.4707 -5.4707 -5.2028 -5.2028 -4.7378 -4.7378 -4.3145 -4.3145 -3.9125 -3.9125 -3.8787 -3.8787 -3.6875 -3.6875 -2.5086 -2.5086 -2.3416 -2.3416 -1.4778 -1.4778 -1.3503 -1.3503 -0.9546 -0.9546 -0.4109 -0.4109 -0.3618 -0.3618 3.0713 3.0713 5.8846 5.8846 6.8767 6.8767 7.1111 7.1111 7.4703 7.4703 8.2434 8.2434 k = 0.0000-0.2848-0.0734 ( 6141 PWs) bands (ev): -21.7169 -21.7169 -21.7004 -21.7004 -19.4338 -19.4338 -19.4220 -19.4220 -14.3427 -14.3427 -12.9186 -12.9186 -12.3611 -12.3611 -10.2984 -10.2984 -8.3489 -8.3489 -7.7105 -7.7105 -7.2650 -7.2650 -6.0931 -6.0931 -5.8991 -5.8991 -5.6686 -5.6686 -5.4862 -5.4862 -5.2011 -5.2011 -4.7345 -4.7345 -4.3069 -4.3069 -3.8996 -3.8996 -3.8814 -3.8814 -3.6908 -3.6908 -2.5103 -2.5103 -2.3480 -2.3480 -1.4761 -1.4761 -1.3476 -1.3476 -0.9560 -0.9560 -0.4094 -0.4094 -0.3607 -0.3607 3.0751 3.0751 5.8839 5.8839 6.8708 6.8708 7.0882 7.0882 7.4555 7.4555 8.2351 8.2351 k = 0.0000-0.2729-0.0704 ( 6140 PWs) bands (ev): -21.7182 -21.7182 -21.6999 -21.6999 -19.4329 -19.4329 -19.4213 -19.4213 -14.3414 -14.3414 -12.9269 -12.9269 -12.3533 -12.3533 -10.3086 -10.3086 -8.3334 -8.3334 -7.7073 -7.7073 -7.2684 -7.2684 -6.1076 -6.1076 -5.8873 -5.8873 -5.6724 -5.6724 -5.5028 -5.5028 -5.2004 -5.2004 -4.7278 -4.7278 -4.2998 -4.2998 -3.8898 -3.8898 -3.8799 -3.8799 -3.6943 -3.6943 -2.5123 -2.5123 -2.3555 -2.3555 -1.4741 -1.4741 -1.3445 -1.3445 -0.9577 -0.9577 -0.4077 -0.4077 -0.3594 -0.3594 3.0795 3.0795 5.8830 5.8830 6.8633 6.8633 7.0637 7.0637 7.4402 7.4402 8.2228 8.2228 k = 0.0000-0.2611-0.0673 ( 6137 PWs) bands (ev): -21.7196 -21.7196 -21.6993 -21.6993 -19.4320 -19.4320 -19.4205 -19.4205 -14.3400 -14.3400 -12.9352 -12.9352 -12.3460 -12.3460 -10.3189 -10.3189 -8.3175 -8.3175 -7.7031 -7.7031 -7.2723 -7.2723 -6.1216 -6.1216 -5.8763 -5.8763 -5.6774 -5.6774 -5.5198 -5.5198 -5.2012 -5.2012 -4.7172 -4.7172 -4.2935 -4.2935 -3.8922 -3.8922 -3.8656 -3.8656 -3.6980 -3.6980 -2.5146 -2.5146 -2.3640 -2.3640 -1.4718 -1.4718 -1.3409 -1.3409 -0.9596 -0.9596 -0.4059 -0.4059 -0.3579 -0.3579 3.0844 3.0844 5.8821 5.8821 6.8540 6.8540 7.0386 7.0386 7.4252 7.4252 8.2064 8.2064 k = 0.0000-0.2492-0.0643 ( 6138 PWs) bands (ev): -21.7210 -21.7210 -21.6988 -21.6988 -19.4309 -19.4309 -19.4196 -19.4196 -14.3385 -14.3385 -12.9433 -12.9433 -12.3395 -12.3395 -10.3288 -10.3288 -8.3020 -8.3020 -7.6979 -7.6979 -7.2766 -7.2766 -6.1349 -6.1349 -5.8663 -5.8663 -5.6838 -5.6838 -5.5360 -5.5360 -5.2035 -5.2035 -4.7027 -4.7027 -4.2882 -4.2882 -3.8972 -3.8972 -3.8485 -3.8485 -3.7016 -3.7016 -2.5173 -2.5173 -2.3734 -2.3734 -1.4692 -1.4692 -1.3371 -1.3371 -0.9619 -0.9619 -0.4039 -0.4039 -0.3561 -0.3561 3.0898 3.0898 5.8811 5.8811 6.8422 6.8422 7.0141 7.0141 7.4110 7.4110 8.1860 8.1860 k = 0.0000-0.2373-0.0612 ( 6133 PWs) bands (ev): -21.7225 -21.7225 -21.6984 -21.6984 -19.4297 -19.4297 -19.4186 -19.4186 -14.3370 -14.3370 -12.9507 -12.9507 -12.3343 -12.3343 -10.3378 -10.3378 -8.2873 -8.2873 -7.6915 -7.6915 -7.2814 -7.2814 -6.1475 -6.1475 -5.8577 -5.8577 -5.6915 -5.6915 -5.5507 -5.5507 -5.2073 -5.2073 -4.6845 -4.6845 -4.2837 -4.2837 -3.9032 -3.9032 -3.8309 -3.8309 -3.7049 -3.7049 -2.5204 -2.5204 -2.3837 -2.3837 -1.4663 -1.4663 -1.3329 -1.3329 -0.9645 -0.9645 -0.4019 -0.4019 -0.3542 -0.3542 3.0956 3.0956 5.8802 5.8802 6.8276 6.8276 6.9915 6.9915 7.3981 7.3981 8.1621 8.1621 k = 0.0000-0.2255-0.0581 ( 6127 PWs) bands (ev): -21.7240 -21.7240 -21.6979 -21.6979 -19.4285 -19.4285 -19.4175 -19.4175 -14.3354 -14.3354 -12.9574 -12.9574 -12.3308 -12.3308 -10.3456 -10.3456 -8.2741 -8.2741 -7.6839 -7.6839 -7.2865 -7.2865 -6.1595 -6.1595 -5.8510 -5.8510 -5.6998 -5.6998 -5.5632 -5.5632 -5.2126 -5.2126 -4.6631 -4.6631 -4.2800 -4.2800 -3.9100 -3.9100 -3.8135 -3.8135 -3.7078 -3.7078 -2.5241 -2.5241 -2.3946 -2.3946 -1.4632 -1.4632 -1.3285 -1.3285 -0.9675 -0.9675 -0.3999 -0.3999 -0.3520 -0.3520 3.1018 3.1018 5.8792 5.8792 6.8097 6.8097 6.9720 6.9720 7.3869 7.3869 8.1351 8.1351 k = 0.0000-0.2136-0.0551 ( 6126 PWs) bands (ev): -21.7254 -21.7254 -21.6976 -21.6976 -19.4272 -19.4272 -19.4164 -19.4164 -14.3339 -14.3339 -12.9630 -12.9630 -12.3292 -12.3292 -10.3517 -10.3517 -8.2629 -8.2629 -7.6749 -7.6749 -7.2919 -7.2919 -6.1711 -6.1711 -5.8465 -5.8465 -5.7079 -5.7079 -5.5733 -5.5733 -5.2192 -5.2192 -4.6390 -4.6390 -4.2767 -4.2767 -3.9176 -3.9176 -3.7970 -3.7970 -3.7098 -3.7098 -2.5284 -2.5284 -2.4060 -2.4060 -1.4598 -1.4598 -1.3239 -1.3239 -0.9707 -0.9707 -0.3979 -0.3979 -0.3497 -0.3497 3.1082 3.1082 5.8782 5.8782 6.7884 6.7884 6.9563 6.9563 7.3776 7.3776 8.1055 8.1055 k = 0.0000-0.2017-0.0520 ( 6123 PWs) bands (ev): -21.7269 -21.7269 -21.6972 -21.6972 -19.4259 -19.4259 -19.4152 -19.4152 -14.3323 -14.3323 -12.9673 -12.9673 -12.3297 -12.3297 -10.3559 -10.3559 -8.2541 -8.2541 -7.6646 -7.6646 -7.2976 -7.2976 -6.1824 -6.1824 -5.8448 -5.8448 -5.7143 -5.7143 -5.5810 -5.5810 -5.2271 -5.2271 -4.6129 -4.6129 -4.2734 -4.2734 -3.9258 -3.9258 -3.7821 -3.7821 -3.7105 -3.7105 -2.5335 -2.5335 -2.4177 -2.4177 -1.4562 -1.4562 -1.3191 -1.3191 -0.9743 -0.9743 -0.3961 -0.3961 -0.3471 -0.3471 3.1148 3.1148 5.8772 5.8772 6.7640 6.7640 6.9449 6.9449 7.3702 7.3702 8.0737 8.0737 k = 0.0000-0.1899-0.0490 ( 6122 PWs) bands (ev): -21.7284 -21.7284 -21.6969 -21.6969 -19.4246 -19.4246 -19.4140 -19.4140 -14.3309 -14.3309 -12.9703 -12.9703 -12.3325 -12.3325 -10.3581 -10.3581 -8.2479 -8.2479 -7.6531 -7.6531 -7.3034 -7.3034 -6.1937 -6.1937 -5.8460 -5.8460 -5.7177 -5.7177 -5.5868 -5.5868 -5.2361 -5.2361 -4.5857 -4.5857 -4.2699 -4.2699 -3.9346 -3.9346 -3.7699 -3.7699 -3.7091 -3.7091 -2.5397 -2.5397 -2.4291 -2.4291 -1.4524 -1.4524 -1.3142 -1.3142 -0.9782 -0.9782 -0.3943 -0.3943 -0.3443 -0.3443 3.1216 3.1216 5.8763 5.8763 6.7374 6.7374 6.9375 6.9375 7.3648 7.3648 8.0401 8.0401 k = 0.0000-0.1780-0.0459 ( 6119 PWs) bands (ev): -21.7298 -21.7298 -21.6967 -21.6967 -19.4233 -19.4233 -19.4128 -19.4128 -14.3295 -14.3295 -12.9719 -12.9719 -12.3377 -12.3377 -10.3581 -10.3581 -8.2444 -8.2444 -7.6407 -7.6407 -7.3093 -7.3093 -6.2054 -6.2054 -5.8493 -5.8493 -5.7176 -5.7176 -5.5910 -5.5910 -5.2461 -5.2461 -4.5582 -4.5582 -4.2656 -4.2656 -3.9438 -3.9438 -3.7611 -3.7611 -3.7051 -3.7051 -2.5472 -2.5472 -2.4401 -2.4401 -1.4484 -1.4484 -1.3092 -1.3092 -0.9824 -0.9824 -0.3928 -0.3928 -0.3414 -0.3414 3.1284 3.1284 5.8754 5.8754 6.7093 6.7093 6.9338 6.9338 7.3613 7.3613 8.0050 8.0050 k = 0.0000-0.1661-0.0428 ( 6126 PWs) bands (ev): -21.7312 -21.7312 -21.6965 -21.6965 -19.4220 -19.4220 -19.4115 -19.4115 -14.3282 -14.3282 -12.9719 -12.9719 -12.3452 -12.3452 -10.3560 -10.3560 -8.2435 -8.2435 -7.6275 -7.6275 -7.3152 -7.3152 -6.2176 -6.2176 -5.8537 -5.8537 -5.7143 -5.7143 -5.5941 -5.5941 -5.2571 -5.2571 -4.5312 -4.5312 -4.2598 -4.2598 -3.9535 -3.9535 -3.7559 -3.7559 -3.6984 -3.6984 -2.5564 -2.5564 -2.4501 -2.4501 -1.4442 -1.4442 -1.3043 -1.3043 -0.9868 -0.9868 -0.3914 -0.3914 -0.3383 -0.3383 3.1351 3.1351 5.8746 5.8746 6.6807 6.6807 6.9334 6.9334 7.3596 7.3596 7.9689 7.9689 k = 0.0000-0.1543-0.0398 ( 6127 PWs) bands (ev): -21.7325 -21.7325 -21.6963 -21.6963 -19.4207 -19.4207 -19.4103 -19.4103 -14.3271 -14.3271 -12.9704 -12.9704 -12.3549 -12.3549 -10.3518 -10.3518 -8.2452 -8.2452 -7.6140 -7.6140 -7.3209 -7.3209 -6.2305 -6.2305 -5.8576 -5.8576 -5.7085 -5.7085 -5.5963 -5.5963 -5.2691 -5.2691 -4.5058 -4.5058 -4.2521 -4.2521 -3.9634 -3.9634 -3.7534 -3.7534 -3.6900 -3.6900 -2.5672 -2.5672 -2.4590 -2.4590 -1.4399 -1.4399 -1.2994 -1.2994 -0.9914 -0.9914 -0.3901 -0.3901 -0.3351 -0.3351 3.1418 3.1418 5.8739 5.8739 6.6523 6.6523 6.9362 6.9362 7.3595 7.3595 7.9319 7.9319 k = 0.0000-0.1424-0.0367 ( 6126 PWs) bands (ev): -21.7338 -21.7338 -21.6961 -21.6961 -19.4195 -19.4195 -19.4090 -19.4090 -14.3260 -14.3260 -12.9674 -12.9674 -12.3667 -12.3667 -10.3458 -10.3458 -8.2492 -8.2492 -7.6005 -7.6005 -7.3264 -7.3264 -6.2443 -6.2443 -5.8600 -5.8600 -5.7009 -5.7009 -5.5979 -5.5979 -5.2819 -5.2819 -4.4829 -4.4829 -4.2418 -4.2418 -3.9734 -3.9734 -3.7526 -3.7526 -3.6811 -3.6811 -2.5798 -2.5798 -2.4664 -2.4664 -1.4356 -1.4356 -1.2946 -1.2946 -0.9961 -0.9961 -0.3891 -0.3891 -0.3319 -0.3319 3.1483 3.1483 5.8733 5.8733 6.6245 6.6245 6.9418 6.9418 7.3609 7.3609 7.8944 7.8944 k = 0.0000-0.1305-0.0337 ( 6126 PWs) bands (ev): -21.7350 -21.7350 -21.6960 -21.6960 -19.4183 -19.4183 -19.4078 -19.4078 -14.3251 -14.3251 -12.9629 -12.9629 -12.3804 -12.3804 -10.3381 -10.3381 -8.2550 -8.2550 -7.5872 -7.5872 -7.3316 -7.3316 -6.2586 -6.2586 -5.8604 -5.8604 -5.6918 -5.6918 -5.5989 -5.5989 -5.2957 -5.2957 -4.4633 -4.4633 -4.2285 -4.2285 -3.9833 -3.9833 -3.7526 -3.7526 -3.6725 -3.6725 -2.5939 -2.5939 -2.4725 -2.4725 -1.4312 -1.4312 -1.2900 -1.2900 -1.0009 -1.0009 -0.3883 -0.3883 -0.3286 -0.3286 3.1546 3.1546 5.8727 5.8727 6.5978 6.5978 6.9500 6.9500 7.3636 7.3636 7.8567 7.8567 k = 0.0000-0.1187-0.0306 ( 6126 PWs) bands (ev): -21.7362 -21.7362 -21.6959 -21.6959 -19.4172 -19.4172 -19.4066 -19.4066 -14.3244 -14.3244 -12.9570 -12.9570 -12.3955 -12.3955 -10.3291 -10.3291 -8.2625 -8.2625 -7.5746 -7.5746 -7.3362 -7.3362 -6.2734 -6.2734 -5.8586 -5.8586 -5.6817 -5.6817 -5.5996 -5.5996 -5.3102 -5.3102 -4.4473 -4.4473 -4.2122 -4.2122 -3.9929 -3.9929 -3.7531 -3.7531 -3.6647 -3.6647 -2.6091 -2.6091 -2.4773 -2.4773 -1.4269 -1.4269 -1.2856 -1.2856 -1.0057 -1.0057 -0.3877 -0.3877 -0.3254 -0.3254 3.1605 3.1605 5.8723 5.8723 6.5725 6.5725 6.9606 6.9606 7.3674 7.3674 7.8190 7.8190 k = 0.0000-0.1068-0.0275 ( 6121 PWs) bands (ev): -21.7372 -21.7372 -21.6958 -21.6958 -19.4162 -19.4162 -19.4055 -19.4055 -14.3237 -14.3237 -12.9498 -12.9498 -12.4119 -12.4119 -10.3192 -10.3192 -8.2710 -8.2710 -7.5628 -7.5628 -7.3404 -7.3404 -6.2882 -6.2882 -5.8548 -5.8548 -5.6707 -5.6707 -5.5998 -5.5998 -5.3256 -5.3256 -4.4348 -4.4348 -4.1933 -4.1933 -4.0021 -4.0021 -3.7537 -3.7537 -3.6579 -3.6579 -2.6249 -2.6249 -2.4811 -2.4811 -1.4226 -1.4226 -1.2815 -1.2815 -1.0105 -1.0105 -0.3872 -0.3872 -0.3223 -0.3223 3.1661 3.1661 5.8719 5.8719 6.5490 6.5490 6.9732 6.9732 7.3722 7.3722 7.7816 7.7816 k = 0.0000-0.0949-0.0245 ( 6112 PWs) bands (ev): -21.7382 -21.7382 -21.6958 -21.6958 -19.4152 -19.4152 -19.4045 -19.4045 -14.3232 -14.3232 -12.9416 -12.9416 -12.4290 -12.4290 -10.3087 -10.3087 -8.2802 -8.2802 -7.5521 -7.5521 -7.3439 -7.3439 -6.3027 -6.3027 -5.8494 -5.8494 -5.6590 -5.6590 -5.5996 -5.5996 -5.3418 -5.3418 -4.4255 -4.4255 -4.1729 -4.1729 -4.0107 -4.0107 -3.7544 -3.7544 -3.6522 -3.6522 -2.6409 -2.6409 -2.4841 -2.4841 -1.4185 -1.4185 -1.2776 -1.2776 -1.0150 -1.0150 -0.3869 -0.3869 -0.3193 -0.3193 3.1712 3.1712 5.8716 5.8716 6.5274 6.5274 6.9875 6.9875 7.3778 7.3778 7.7449 7.7449 k = 0.0000-0.0831-0.0214 ( 6107 PWs) bands (ev): -21.7391 -21.7391 -21.6957 -21.6957 -19.4144 -19.4144 -19.4035 -19.4035 -14.3227 -14.3227 -12.9327 -12.9327 -12.4464 -12.4464 -10.2981 -10.2981 -8.2897 -8.2897 -7.5427 -7.5427 -7.3468 -7.3468 -6.3164 -6.3164 -5.8429 -5.8429 -5.6471 -5.6471 -5.5987 -5.5987 -5.3586 -5.3586 -4.4188 -4.4188 -4.1521 -4.1521 -4.0183 -4.0183 -3.7551 -3.7551 -3.6476 -3.6476 -2.6565 -2.6565 -2.4864 -2.4864 -1.4147 -1.4147 -1.2742 -1.2742 -1.0193 -1.0193 -0.3866 -0.3866 -0.3165 -0.3165 3.1759 3.1759 5.8714 5.8714 6.5079 6.5079 7.0029 7.0029 7.3840 7.3840 7.7092 7.7092 k = 0.0000-0.0712-0.0184 ( 6117 PWs) bands (ev): -21.7398 -21.7398 -21.6957 -21.6957 -19.4136 -19.4136 -19.4027 -19.4027 -14.3224 -14.3224 -12.9233 -12.9233 -12.4635 -12.4635 -10.2879 -10.2879 -8.2990 -8.2990 -7.5347 -7.5347 -7.3491 -7.3491 -6.3290 -6.3290 -5.8359 -5.8359 -5.6354 -5.6354 -5.5967 -5.5967 -5.3759 -5.3759 -4.4140 -4.4140 -4.1321 -4.1321 -4.0246 -4.0246 -3.7558 -3.7558 -3.6441 -3.6441 -2.6712 -2.6712 -2.4881 -2.4881 -1.4112 -1.4112 -1.2711 -1.2711 -1.0233 -1.0233 -0.3865 -0.3865 -0.3140 -0.3140 3.1800 3.1800 5.8712 5.8712 6.4907 6.4907 7.0189 7.0189 7.3908 7.3908 7.6749 7.6749 k = 0.0000-0.0593-0.0153 ( 6119 PWs) bands (ev): -21.7405 -21.7405 -21.6957 -21.6957 -19.4130 -19.4130 -19.4019 -19.4019 -14.3222 -14.3222 -12.9140 -12.9140 -12.4798 -12.4798 -10.2784 -10.2784 -8.3077 -8.3077 -7.5280 -7.5280 -7.3508 -7.3508 -6.3402 -6.3402 -5.8290 -5.8290 -5.6253 -5.6253 -5.5922 -5.5922 -5.3936 -5.3936 -4.4106 -4.4106 -4.1142 -4.1142 -4.0292 -4.0292 -3.7565 -3.7565 -3.6414 -3.6414 -2.6847 -2.6847 -2.4895 -2.4895 -1.4080 -1.4080 -1.2684 -1.2684 -1.0269 -1.0269 -0.3864 -0.3864 -0.3118 -0.3118 3.1836 3.1836 5.8710 5.8710 6.4759 6.4759 7.0348 7.0348 7.3980 7.3980 7.6426 7.6426 k = 0.0000-0.0475-0.0122 ( 6124 PWs) bands (ev): -21.7410 -21.7410 -21.6957 -21.6957 -19.4124 -19.4124 -19.4013 -19.4013 -14.3220 -14.3220 -12.9051 -12.9051 -12.4945 -12.4945 -10.2700 -10.2700 -8.3154 -8.3154 -7.5227 -7.5227 -7.3519 -7.3519 -6.3497 -6.3497 -5.8226 -5.8226 -5.6184 -5.6184 -5.5841 -5.5841 -5.4113 -5.4113 -4.4082 -4.4082 -4.0999 -4.0999 -4.0316 -4.0316 -3.7570 -3.7570 -3.6396 -3.6396 -2.6963 -2.6963 -2.4905 -2.4905 -1.4053 -1.4053 -1.2661 -1.2661 -1.0299 -1.0299 -0.3864 -0.3864 -0.3099 -0.3099 3.1866 3.1866 5.8709 5.8709 6.4637 6.4637 7.0498 7.0498 7.4055 7.4055 7.6131 7.6131 k = 0.0000-0.0356-0.0092 ( 6132 PWs) bands (ev): -21.7415 -21.7415 -21.6957 -21.6957 -19.4120 -19.4120 -19.4008 -19.4008 -14.3219 -14.3219 -12.8973 -12.8973 -12.5070 -12.5070 -10.2631 -10.2631 -8.3217 -8.3217 -7.5187 -7.5187 -7.3527 -7.3527 -6.3573 -6.3573 -5.8173 -5.8173 -5.6147 -5.6147 -5.5728 -5.5728 -5.4284 -5.4284 -4.4066 -4.4066 -4.0899 -4.0899 -4.0315 -4.0315 -3.7575 -3.7575 -3.6384 -3.6384 -2.7059 -2.7059 -2.4913 -2.4913 -1.4032 -1.4032 -1.2644 -1.2644 -1.0323 -1.0323 -0.3864 -0.3864 -0.3084 -0.3084 3.1889 3.1889 5.8709 5.8709 6.4541 6.4541 7.0629 7.0629 7.4132 7.4132 7.5871 7.5871 k = 0.0000-0.0237-0.0061 ( 6141 PWs) bands (ev): -21.7418 -21.7418 -21.6956 -21.6956 -19.4117 -19.4117 -19.4005 -19.4005 -14.3218 -14.3218 -12.8911 -12.8911 -12.5167 -12.5167 -10.2579 -10.2579 -8.3265 -8.3265 -7.5159 -7.5159 -7.3532 -7.3532 -6.3628 -6.3628 -5.8132 -5.8132 -5.6130 -5.6130 -5.5607 -5.5607 -5.4438 -5.4438 -4.4056 -4.4056 -4.0842 -4.0842 -4.0295 -4.0295 -3.7578 -3.7578 -3.6377 -3.6377 -2.7129 -2.7129 -2.4918 -2.4918 -1.4016 -1.4016 -1.2631 -1.2631 -1.0342 -1.0342 -0.3865 -0.3865 -0.3073 -0.3073 3.1906 3.1906 5.8708 5.8708 6.4472 6.4472 7.0732 7.0732 7.4203 7.4203 7.5662 7.5662 k = 0.0000-0.0119-0.0031 ( 6136 PWs) bands (ev): -21.7420 -21.7420 -21.6956 -21.6956 -19.4115 -19.4115 -19.4003 -19.4003 -14.3217 -14.3217 -12.8871 -12.8871 -12.5227 -12.5227 -10.2547 -10.2547 -8.3294 -8.3294 -7.5142 -7.5142 -7.3534 -7.3534 -6.3662 -6.3662 -5.8107 -5.8107 -5.6122 -5.6122 -5.5507 -5.5507 -5.4555 -5.4555 -4.4050 -4.4050 -4.0816 -4.0816 -4.0274 -4.0274 -3.7581 -3.7581 -3.6373 -3.6373 -2.7173 -2.7173 -2.4920 -2.4920 -1.4006 -1.4006 -1.2624 -1.2624 -1.0352 -1.0352 -0.3865 -0.3865 -0.3067 -0.3067 3.1916 3.1916 5.8708 5.8708 6.4431 6.4431 7.0798 7.0798 7.4257 7.4257 7.5521 7.5521 k = 0.0000 0.0000 0.0000 ( 6131 PWs) bands (ev): -21.7420 -21.7420 -21.6956 -21.6956 -19.4115 -19.4115 -19.4002 -19.4002 -14.3217 -14.3217 -12.8857 -12.8857 -12.5248 -12.5248 -10.2536 -10.2536 -8.3304 -8.3304 -7.5137 -7.5137 -7.3535 -7.3535 -6.3673 -6.3673 -5.8099 -5.8099 -5.6119 -5.6119 -5.5466 -5.5466 -5.4601 -5.4601 -4.4048 -4.4048 -4.0808 -4.0808 -4.0264 -4.0264 -3.7581 -3.7581 -3.6372 -3.6372 -2.7188 -2.7188 -2.4921 -2.4921 -1.4003 -1.4003 -1.2621 -1.2621 -1.0356 -1.0356 -0.3865 -0.3865 -0.3064 -0.3064 3.1919 3.1919 5.8708 5.8708 6.4417 6.4417 7.0821 7.0821 7.4278 7.4278 7.5470 7.5470 k = 0.0000 0.0000 0.0000 ( 6131 PWs) bands (ev): -21.7420 -21.7420 -21.6956 -21.6956 -19.4115 -19.4115 -19.4002 -19.4002 -14.3217 -14.3217 -12.8857 -12.8857 -12.5248 -12.5248 -10.2536 -10.2536 -8.3304 -8.3304 -7.5137 -7.5137 -7.3535 -7.3535 -6.3673 -6.3673 -5.8099 -5.8099 -5.6119 -5.6119 -5.5466 -5.5466 -5.4601 -5.4601 -4.4048 -4.4048 -4.0808 -4.0808 -4.0264 -4.0264 -3.7581 -3.7581 -3.6372 -3.6372 -2.7188 -2.7188 -2.4921 -2.4921 -1.4003 -1.4003 -1.2621 -1.2621 -1.0356 -1.0356 -0.3865 -0.3865 -0.3064 -0.3064 3.1919 3.1919 5.8708 5.8708 6.4417 6.4417 7.0821 7.0821 7.4278 7.4278 7.5470 7.5470 k = 0.0114 0.0032 0.0030 ( 6135 PWs) bands (ev): -21.7420 -21.7420 -21.6956 -21.6956 -19.4115 -19.4115 -19.4002 -19.4002 -14.3216 -14.3216 -12.8858 -12.8858 -12.5244 -12.5244 -10.2537 -10.2537 -8.3303 -8.3303 -7.5141 -7.5141 -7.3535 -7.3535 -6.3669 -6.3669 -5.8106 -5.8106 -5.6134 -5.6134 -5.5483 -5.5483 -5.4577 -5.4577 -4.4049 -4.4049 -4.0814 -4.0814 -4.0273 -4.0273 -3.7587 -3.7587 -3.6377 -3.6377 -2.7185 -2.7185 -2.4917 -2.4917 -1.4000 -1.4000 -1.2617 -1.2617 -1.0358 -1.0358 -0.3866 -0.3866 -0.3064 -0.3064 3.1923 3.1923 5.8709 5.8709 6.4441 6.4441 7.0823 7.0823 7.4240 7.4240 7.5518 7.5518 k = 0.0227 0.0064 0.0059 ( 6136 PWs) bands (ev): -21.7417 -21.7417 -21.6954 -21.6954 -19.4115 -19.4115 -19.4003 -19.4003 -14.3213 -14.3213 -12.8859 -12.8859 -12.5232 -12.5232 -10.2539 -10.2539 -8.3300 -8.3300 -7.5151 -7.5151 -7.3535 -7.3535 -6.3656 -6.3656 -5.8128 -5.8128 -5.6179 -5.6179 -5.5526 -5.5526 -5.4512 -5.4512 -4.4051 -4.4051 -4.0832 -4.0832 -4.0297 -4.0297 -3.7604 -3.7604 -3.6392 -3.6392 -2.7179 -2.7179 -2.4903 -2.4903 -1.3990 -1.3990 -1.2606 -1.2606 -1.0364 -1.0364 -0.3871 -0.3871 -0.3063 -0.3063 3.1934 3.1934 5.8712 5.8712 6.4515 6.4515 7.0831 7.0831 7.4141 7.4141 7.5646 7.5646 k = 0.0341 0.0096 0.0089 ( 6134 PWs) bands (ev): -21.7414 -21.7414 -21.6952 -21.6952 -19.4116 -19.4116 -19.4004 -19.4004 -14.3208 -14.3208 -12.8861 -12.8861 -12.5213 -12.5213 -10.2542 -10.2542 -8.3294 -8.3294 -7.5169 -7.5169 -7.3534 -7.3534 -6.3633 -6.3633 -5.8165 -5.8165 -5.6255 -5.6255 -5.5581 -5.5581 -5.4420 -5.4420 -4.4055 -4.4055 -4.0860 -4.0860 -4.0338 -4.0338 -3.7633 -3.7633 -3.6417 -3.6417 -2.7168 -2.7168 -2.4881 -2.4881 -1.3973 -1.3973 -1.2588 -1.2588 -1.0373 -1.0373 -0.3878 -0.3878 -0.3062 -0.3062 3.1952 3.1952 5.8718 5.8718 6.4636 6.4636 7.0844 7.0844 7.4012 7.4012 7.5823 7.5823 k = 0.0455 0.0128 0.0118 ( 6133 PWs) bands (ev): -21.7408 -21.7408 -21.6948 -21.6948 -19.4118 -19.4118 -19.4005 -19.4005 -14.3200 -14.3200 -12.8864 -12.8864 -12.5186 -12.5186 -10.2547 -10.2547 -8.3286 -8.3286 -7.5194 -7.5194 -7.3533 -7.3533 -6.3603 -6.3603 -5.8215 -5.8215 -5.6361 -5.6361 -5.5636 -5.5636 -5.4312 -5.4312 -4.4061 -4.4061 -4.0901 -4.0901 -4.0394 -4.0394 -3.7673 -3.7673 -3.6452 -3.6452 -2.7154 -2.7154 -2.4850 -2.4850 -1.3950 -1.3950 -1.2564 -1.2564 -1.0385 -1.0385 -0.3887 -0.3887 -0.3060 -0.3060 3.1977 3.1977 5.8728 5.8728 6.4803 6.4803 7.0862 7.0862 7.3875 7.3875 7.6028 7.6028 k = 0.0568 0.0160 0.0148 ( 6141 PWs) bands (ev): -21.7402 -21.7402 -21.6943 -21.6943 -19.4119 -19.4119 -19.4007 -19.4007 -14.3191 -14.3191 -12.8867 -12.8867 -12.5152 -12.5152 -10.2553 -10.2553 -8.3276 -8.3276 -7.5226 -7.5226 -7.3531 -7.3531 -6.3563 -6.3563 -5.8279 -5.8279 -5.6494 -5.6494 -5.5687 -5.5687 -5.4196 -5.4196 -4.4068 -4.4068 -4.0952 -4.0952 -4.0465 -4.0465 -3.7723 -3.7723 -3.6495 -3.6495 -2.7136 -2.7136 -2.4810 -2.4810 -1.3920 -1.3920 -1.2535 -1.2535 -1.0398 -1.0398 -0.3899 -0.3899 -0.3058 -0.3058 3.2008 3.2008 5.8742 5.8742 6.5014 6.5014 7.0887 7.0887 7.3741 7.3741 7.6246 7.6246 k = 0.0682 0.0192 0.0177 ( 6146 PWs) bands (ev): -21.7394 -21.7394 -21.6937 -21.6937 -19.4121 -19.4121 -19.4010 -19.4010 -14.3180 -14.3180 -12.8871 -12.8871 -12.5111 -12.5111 -10.2560 -10.2560 -8.3263 -8.3263 -7.5265 -7.5265 -7.3529 -7.3529 -6.3516 -6.3516 -5.8357 -5.8357 -5.6649 -5.6649 -5.5734 -5.5734 -5.4076 -5.4076 -4.4078 -4.4078 -4.1015 -4.1015 -4.0551 -4.0551 -3.7785 -3.7785 -3.6547 -3.6547 -2.7115 -2.7115 -2.4762 -2.4762 -1.3884 -1.3884 -1.2503 -1.2503 -1.0413 -1.0413 -0.3914 -0.3914 -0.3056 -0.3056 3.2044 3.2044 5.8763 5.8763 6.5267 6.5267 7.0920 7.0920 7.3620 7.3620 7.6468 7.6468 k = 0.0795 0.0224 0.0207 ( 6148 PWs) bands (ev): -21.7384 -21.7384 -21.6930 -21.6930 -19.4124 -19.4124 -19.4012 -19.4012 -14.3166 -14.3166 -12.8875 -12.8875 -12.5063 -12.5063 -10.2568 -10.2568 -8.3248 -8.3248 -7.5312 -7.5312 -7.3525 -7.3525 -6.3461 -6.3461 -5.8446 -5.8446 -5.6821 -5.6821 -5.5778 -5.5778 -5.3955 -5.3955 -4.4090 -4.4090 -4.1088 -4.1088 -4.0651 -4.0651 -3.7857 -3.7857 -3.6606 -3.6606 -2.7091 -2.7091 -2.4706 -2.4706 -1.3842 -1.3842 -1.2470 -1.2470 -1.0427 -1.0427 -0.3930 -0.3930 -0.3055 -0.3055 3.2086 3.2086 5.8791 5.8791 6.5558 6.5558 7.0960 7.0960 7.3516 7.3516 7.6691 7.6691 k = 0.0909 0.0256 0.0236 ( 6149 PWs) bands (ev): -21.7373 -21.7373 -21.6923 -21.6923 -19.4126 -19.4126 -19.4016 -19.4016 -14.3151 -14.3151 -12.8879 -12.8879 -12.5009 -12.5009 -10.2578 -10.2578 -8.3232 -8.3232 -7.5366 -7.5366 -7.3520 -7.3520 -6.3398 -6.3398 -5.8547 -5.8547 -5.7007 -5.7007 -5.5820 -5.5820 -5.3836 -5.3836 -4.4105 -4.4105 -4.1171 -4.1171 -4.0764 -4.0764 -3.7939 -3.7939 -3.6673 -3.6673 -2.7064 -2.7064 -2.4642 -2.4642 -1.3794 -1.3794 -1.2437 -1.2437 -1.0438 -1.0438 -0.3948 -0.3948 -0.3053 -0.3053 3.2133 3.2133 5.8827 5.8827 6.5885 6.5885 7.1011 7.1011 7.3431 7.3431 7.6909 7.6909 k = 0.1023 0.0288 0.0266 ( 6148 PWs) bands (ev): -21.7361 -21.7361 -21.6914 -21.6914 -19.4129 -19.4129 -19.4019 -19.4019 -14.3134 -14.3134 -12.8883 -12.8883 -12.4949 -12.4949 -10.2588 -10.2588 -8.3213 -8.3213 -7.5427 -7.5427 -7.3514 -7.3514 -6.3328 -6.3328 -5.8659 -5.8659 -5.7204 -5.7204 -5.5862 -5.5862 -5.3718 -5.3718 -4.4123 -4.4123 -4.1265 -4.1265 -4.0889 -4.0889 -3.8030 -3.8030 -3.6746 -3.6746 -2.7036 -2.7036 -2.4571 -2.4571 -1.3740 -1.3740 -1.2407 -1.2407 -1.0445 -1.0445 -0.3967 -0.3967 -0.3052 -0.3052 3.2183 3.2183 5.8872 5.8872 6.6245 6.6245 7.1072 7.1072 7.3370 7.3370 7.7119 7.7119 k = 0.1136 0.0320 0.0295 ( 6145 PWs) bands (ev): -21.7348 -21.7348 -21.6904 -21.6904 -19.4133 -19.4133 -19.4023 -19.4023 -14.3115 -14.3115 -12.8887 -12.8887 -12.4883 -12.4883 -10.2600 -10.2600 -8.3192 -8.3192 -7.5494 -7.5494 -7.3505 -7.3505 -6.3252 -6.3252 -5.8781 -5.8781 -5.7409 -5.7409 -5.5903 -5.5903 -5.3604 -5.3604 -4.4144 -4.4144 -4.1368 -4.1368 -4.1025 -4.1025 -3.8130 -3.8130 -3.6824 -3.6824 -2.7005 -2.7005 -2.4492 -2.4492 -1.3681 -1.3681 -1.2383 -1.2383 -1.0447 -1.0447 -0.3988 -0.3988 -0.3051 -0.3051 3.2236 3.2236 5.8928 5.8928 6.6633 6.6633 7.1146 7.1146 7.3333 7.3333 7.7320 7.7320 k = 0.1250 0.0352 0.0325 ( 6140 PWs) bands (ev): -21.7334 -21.7334 -21.6894 -21.6894 -19.4136 -19.4136 -19.4027 -19.4027 -14.3095 -14.3095 -12.8891 -12.8891 -12.4811 -12.4811 -10.2613 -10.2613 -8.3169 -8.3169 -7.5569 -7.5569 -7.3495 -7.3495 -6.3170 -6.3170 -5.8911 -5.8911 -5.7621 -5.7621 -5.5944 -5.5944 -5.3492 -5.3492 -4.4168 -4.4168 -4.1481 -4.1481 -4.1171 -4.1171 -3.8239 -3.8239 -3.6906 -3.6906 -2.6974 -2.6974 -2.4408 -2.4408 -1.3617 -1.3617 -1.2367 -1.2367 -1.0440 -1.0440 -0.4011 -0.4011 -0.3051 -0.3051 3.2291 3.2291 5.8993 5.8993 6.7046 6.7046 7.1236 7.1236 7.3322 7.3322 7.7510 7.7510 k = 0.1364 0.0383 0.0355 ( 6139 PWs) bands (ev): -21.7318 -21.7318 -21.6883 -21.6883 -19.4140 -19.4140 -19.4032 -19.4032 -14.3073 -14.3073 -12.8895 -12.8895 -12.4735 -12.4735 -10.2627 -10.2627 -8.3145 -8.3145 -7.5650 -7.5650 -7.3483 -7.3483 -6.3082 -6.3082 -5.9049 -5.9049 -5.7838 -5.7838 -5.5986 -5.5986 -5.3385 -5.3385 -4.4196 -4.4196 -4.1604 -4.1604 -4.1323 -4.1323 -3.8356 -3.8356 -3.6993 -3.6993 -2.6942 -2.6942 -2.4317 -2.4317 -1.3547 -1.3547 -1.2361 -1.2361 -1.0424 -1.0424 -0.4035 -0.4035 -0.3051 -0.3051 3.2347 3.2347 5.9069 5.9069 6.7479 6.7479 7.1345 7.1345 7.3338 7.3338 7.7688 7.7688 k = 0.1477 0.0415 0.0384 ( 6141 PWs) bands (ev): -21.7302 -21.7302 -21.6871 -21.6871 -19.4144 -19.4144 -19.4037 -19.4037 -14.3050 -14.3050 -12.8898 -12.8898 -12.4655 -12.4655 -10.2641 -10.2641 -8.3118 -8.3118 -7.5737 -7.5737 -7.3470 -7.3470 -6.2991 -6.2991 -5.9193 -5.9193 -5.8061 -5.8061 -5.6028 -5.6028 -5.3282 -5.3282 -4.4228 -4.4228 -4.1737 -4.1737 -4.1481 -4.1481 -3.8479 -3.8479 -3.7082 -3.7082 -2.6909 -2.6909 -2.4221 -2.4221 -1.3474 -1.3474 -1.2366 -1.2366 -1.0398 -1.0398 -0.4061 -0.4061 -0.3051 -0.3051 3.2404 3.2404 5.9155 5.9155 6.7924 6.7924 7.1477 7.1477 7.3382 7.3382 7.7855 7.7855 k = 0.1591 0.0447 0.0414 ( 6141 PWs) bands (ev): -21.7284 -21.7284 -21.6858 -21.6858 -19.4149 -19.4149 -19.4042 -19.4042 -14.3025 -14.3025 -12.8900 -12.8900 -12.4571 -12.4571 -10.2657 -10.2657 -8.3090 -8.3090 -7.5830 -7.5830 -7.3454 -7.3454 -6.2895 -6.2895 -5.9342 -5.9342 -5.8286 -5.8286 -5.6070 -5.6070 -5.3183 -5.3183 -4.4265 -4.4265 -4.1881 -4.1881 -4.1642 -4.1642 -3.8610 -3.8610 -3.7174 -3.7174 -2.6876 -2.6876 -2.4121 -2.4121 -1.3396 -1.3396 -1.2383 -1.2383 -1.0361 -1.0361 -0.4089 -0.4089 -0.3052 -0.3052 3.2461 3.2461 5.9251 5.9251 6.8375 6.8375 7.1637 7.1637 7.3456 7.3456 7.8009 7.8009 k = 0.1705 0.0479 0.0443 ( 6145 PWs) bands (ev): -21.7266 -21.7266 -21.6845 -21.6845 -19.4153 -19.4153 -19.4048 -19.4048 -14.2999 -14.2999 -12.8901 -12.8901 -12.4484 -12.4484 -10.2673 -10.2673 -8.3061 -8.3061 -7.5928 -7.5928 -7.3436 -7.3436 -6.2797 -6.2797 -5.9495 -5.9495 -5.8514 -5.8514 -5.6111 -5.6111 -5.3089 -5.3089 -4.4306 -4.4306 -4.2037 -4.2037 -4.1803 -4.1803 -3.8746 -3.8746 -3.7268 -3.7268 -2.6842 -2.6842 -2.4017 -2.4017 -1.3315 -1.3315 -1.2412 -1.2412 -1.0313 -1.0313 -0.4118 -0.4118 -0.3052 -0.3052 3.2516 3.2516 5.9356 5.9356 6.8822 6.8822 7.1833 7.1833 7.3560 7.3560 7.8152 7.8152 k = 0.1818 0.0511 0.0473 ( 6144 PWs) bands (ev): -21.7247 -21.7247 -21.6832 -21.6832 -19.4158 -19.4158 -19.4053 -19.4053 -14.2973 -14.2973 -12.8902 -12.8902 -12.4394 -12.4394 -10.2690 -10.2690 -8.3029 -8.3029 -7.6031 -7.6031 -7.3417 -7.3417 -6.2698 -6.2698 -5.9649 -5.9649 -5.8743 -5.8743 -5.6152 -5.6152 -5.2999 -5.2999 -4.4352 -4.4352 -4.2205 -4.2205 -4.1960 -4.1960 -3.8887 -3.8887 -3.7363 -3.7363 -2.6808 -2.6808 -2.3909 -2.3909 -1.3231 -1.3231 -1.2452 -1.2452 -1.0257 -1.0257 -0.4149 -0.4149 -0.3052 -0.3052 3.2570 3.2570 5.9470 5.9470 6.9252 6.9252 7.2073 7.2073 7.3697 7.3697 7.8285 7.8285 k = 0.1932 0.0543 0.0502 ( 6144 PWs) bands (ev): -21.7227 -21.7227 -21.6818 -21.6818 -19.4163 -19.4163 -19.4059 -19.4059 -14.2945 -14.2945 -12.8902 -12.8902 -12.4301 -12.4301 -10.2708 -10.2708 -8.2997 -8.2997 -7.6138 -7.6138 -7.3396 -7.3396 -6.2598 -6.2598 -5.9804 -5.9804 -5.8973 -5.8973 -5.6192 -5.6192 -5.2914 -5.2914 -4.4403 -4.4403 -4.2384 -4.2384 -4.2114 -4.2114 -3.9033 -3.9033 -3.7459 -3.7459 -2.6775 -2.6775 -2.3799 -2.3799 -1.3145 -1.3145 -1.2501 -1.2501 -1.0193 -1.0193 -0.4181 -0.4181 -0.3052 -0.3052 3.2622 3.2622 5.9593 5.9593 6.9654 6.9654 7.2365 7.2365 7.3868 7.3868 7.8408 7.8408 k = 0.2045 0.0575 0.0532 ( 6139 PWs) bands (ev): -21.7206 -21.7206 -21.6803 -21.6803 -19.4168 -19.4168 -19.4066 -19.4066 -14.2917 -14.2917 -12.8901 -12.8901 -12.4206 -12.4206 -10.2726 -10.2726 -8.2963 -8.2963 -7.6249 -7.6249 -7.3374 -7.3374 -6.2501 -6.2501 -5.9957 -5.9957 -5.9201 -5.9201 -5.6230 -5.6230 -5.2833 -5.2833 -4.4460 -4.4460 -4.2572 -4.2572 -4.2264 -4.2264 -3.9183 -3.9183 -3.7554 -3.7554 -2.6742 -2.6742 -2.3687 -2.3687 -1.3057 -1.3057 -1.2558 -1.2558 -1.0122 -1.0122 -0.4217 -0.4217 -0.3051 -0.3051 3.2670 3.2670 5.9722 5.9722 7.0018 7.0018 7.2712 7.2712 7.4077 7.4077 7.8524 7.8524 k = 0.2159 0.0607 0.0561 ( 6142 PWs) bands (ev): -21.7185 -21.7185 -21.6789 -21.6789 -19.4173 -19.4173 -19.4072 -19.4072 -14.2888 -14.2888 -12.8899 -12.8899 -12.4110 -12.4110 -10.2745 -10.2745 -8.2928 -8.2928 -7.6363 -7.6363 -7.3350 -7.3350 -6.2409 -6.2409 -6.0105 -6.0105 -5.9428 -5.9428 -5.6266 -5.6266 -5.2757 -5.2757 -4.4522 -4.4522 -4.2766 -4.2766 -4.2411 -4.2411 -3.9336 -3.9336 -3.7649 -3.7649 -2.6709 -2.6709 -2.3574 -2.3574 -1.2971 -1.2971 -1.2619 -1.2619 -1.0048 -1.0048 -0.4254 -0.4254 -0.3049 -0.3049 3.2716 3.2716 5.9858 5.9858 7.0339 7.0339 7.3108 7.3108 7.4330 7.4330 7.8634 7.8634 k = 0.2273 0.0639 0.0591 ( 6145 PWs) bands (ev): -21.7164 -21.7164 -21.6774 -21.6774 -19.4179 -19.4179 -19.4078 -19.4078 -14.2858 -14.2858 -12.8896 -12.8896 -12.4013 -12.4013 -10.2764 -10.2764 -8.2892 -8.2892 -7.6479 -7.6479 -7.3326 -7.3326 -6.2324 -6.2324 -6.0247 -6.0247 -5.9652 -5.9652 -5.6301 -5.6301 -5.2686 -5.2686 -4.4590 -4.4590 -4.2962 -4.2962 -4.2555 -4.2555 -3.9492 -3.9492 -3.7744 -3.7744 -2.6676 -2.6676 -2.3460 -2.3460 -1.2896 -1.2896 -1.2672 -1.2672 -0.9970 -0.9970 -0.4293 -0.4293 -0.3046 -0.3046 3.2757 3.2757 5.9999 5.9999 7.0620 7.0620 7.3538 7.3538 7.4637 7.4637 7.8740 7.8740 k = 0.2386 0.0671 0.0620 ( 6149 PWs) bands (ev): -21.7143 -21.7143 -21.6759 -21.6759 -19.4184 -19.4184 -19.4085 -19.4085 -14.2828 -14.2828 -12.8893 -12.8893 -12.3915 -12.3915 -10.2784 -10.2784 -8.2855 -8.2855 -7.6598 -7.6598 -7.3300 -7.3300 -6.2251 -6.2251 -6.0378 -6.0378 -5.9870 -5.9870 -5.6333 -5.6333 -5.2620 -5.2620 -4.4665 -4.4665 -4.3159 -4.3159 -4.2696 -4.2696 -3.9649 -3.9649 -3.7836 -3.7836 -2.6644 -2.6644 -2.3347 -2.3347 -1.2868 -1.2868 -1.2682 -1.2682 -0.9892 -0.9892 -0.4335 -0.4335 -0.3042 -0.3042 3.2795 3.2795 6.0144 6.0144 7.0868 7.0868 7.3975 7.3975 7.5011 7.5011 7.8846 7.8846 k = 0.2500 0.0703 0.0650 ( 6154 PWs) bands (ev): -21.7121 -21.7121 -21.6744 -21.6744 -19.4189 -19.4189 -19.4091 -19.4091 -14.2799 -14.2799 -12.8888 -12.8888 -12.3817 -12.3817 -10.2803 -10.2803 -8.2817 -8.2817 -7.6718 -7.6718 -7.3273 -7.3273 -6.2195 -6.2195 -6.0498 -6.0498 -6.0079 -6.0079 -5.6362 -5.6362 -5.2559 -5.2559 -4.4747 -4.4747 -4.3354 -4.3354 -4.2834 -4.2834 -3.9808 -3.9808 -3.7928 -3.7928 -2.6613 -2.6613 -2.3234 -2.3234 -1.2910 -1.2910 -1.2623 -1.2623 -0.9814 -0.9814 -0.4378 -0.4378 -0.3037 -0.3037 3.2829 3.2829 6.0293 6.0293 7.1090 7.1090 7.4396 7.4396 7.5462 7.5462 7.8957 7.8957 k = 0.2614 0.0735 0.0679 ( 6158 PWs) bands (ev): -21.7099 -21.7099 -21.6728 -21.6728 -19.4195 -19.4195 -19.4098 -19.4098 -14.2769 -14.2769 -12.8883 -12.8883 -12.3720 -12.3720 -10.2823 -10.2823 -8.2779 -8.2779 -7.6839 -7.6839 -7.3246 -7.3246 -6.2161 -6.2161 -6.0608 -6.0608 -6.0270 -6.0270 -5.6387 -5.6387 -5.2503 -5.2503 -4.4837 -4.4837 -4.3544 -4.3544 -4.2968 -4.2968 -3.9966 -3.9966 -3.8017 -3.8017 -2.6582 -2.6582 -2.3123 -2.3123 -1.2982 -1.2982 -1.2535 -1.2535 -0.9738 -0.9738 -0.4424 -0.4424 -0.3031 -0.3031 3.2858 3.2858 6.0444 6.0444 7.1294 7.1294 7.4794 7.4794 7.5980 7.5980 7.9079 7.9079 k = 0.2727 0.0767 0.0709 ( 6160 PWs) bands (ev): -21.7078 -21.7078 -21.6713 -21.6713 -19.4200 -19.4200 -19.4105 -19.4105 -14.2739 -14.2739 -12.8877 -12.8877 -12.3623 -12.3623 -10.2843 -10.2843 -8.2739 -8.2739 -7.6960 -7.6960 -7.3218 -7.3218 -6.2153 -6.2153 -6.0722 -6.0722 -6.0423 -6.0423 -5.6409 -5.6409 -5.2451 -5.2451 -4.4935 -4.4935 -4.3726 -4.3726 -4.3099 -4.3099 -4.0125 -4.0125 -3.8104 -3.8104 -2.6552 -2.6552 -2.3013 -2.3013 -1.3061 -1.3061 -1.2440 -1.2440 -0.9665 -0.9665 -0.4471 -0.4471 -0.3023 -0.3023 3.2884 3.2884 6.0596 6.0596 7.1485 7.1485 7.5173 7.5173 7.6539 7.6539 7.9224 7.9224 k = 0.2841 0.0799 0.0739 ( 6163 PWs) bands (ev): -21.7056 -21.7056 -21.6699 -21.6699 -19.4205 -19.4205 -19.4111 -19.4111 -14.2710 -14.2710 -12.8871 -12.8871 -12.3528 -12.3528 -10.2863 -10.2863 -8.2700 -8.2700 -7.7081 -7.7081 -7.3191 -7.3191 -6.2175 -6.2175 -6.0863 -6.0863 -6.0514 -6.0514 -5.6428 -5.6428 -5.2404 -5.2404 -4.5044 -4.5044 -4.3898 -4.3898 -4.3225 -4.3225 -4.0283 -4.0283 -3.8188 -3.8188 -2.6523 -2.6523 -2.2906 -2.2906 -1.3143 -1.3143 -1.2342 -1.2342 -0.9596 -0.9596 -0.4519 -0.4519 -0.3015 -0.3015 3.2905 3.2905 6.0748 6.0748 7.1666 7.1666 7.5542 7.5542 7.7106 7.7106 7.9410 7.9410 k = 0.2955 0.0831 0.0768 ( 6167 PWs) bands (ev): -21.7035 -21.7035 -21.6684 -21.6684 -19.4211 -19.4211 -19.4118 -19.4118 -14.2681 -14.2681 -12.8864 -12.8864 -12.3435 -12.3435 -10.2882 -10.2882 -8.2660 -8.2660 -7.7200 -7.7200 -7.3163 -7.3163 -6.2225 -6.2225 -6.1030 -6.1030 -6.0543 -6.0543 -5.6442 -5.6442 -5.2361 -5.2361 -4.5163 -4.5163 -4.4057 -4.4057 -4.3347 -4.3347 -4.0439 -4.0439 -3.8269 -3.8269 -2.6495 -2.6495 -2.2802 -2.2802 -1.3226 -1.3226 -1.2242 -1.2242 -0.9532 -0.9532 -0.4568 -0.4568 -0.3005 -0.3005 3.2923 3.2923 6.0899 6.0899 7.1841 7.1841 7.5905 7.5905 7.7642 7.7642 7.9665 7.9665 k = 0.3068 0.0863 0.0798 ( 6165 PWs) bands (ev): -21.7014 -21.7014 -21.6670 -21.6670 -19.4216 -19.4216 -19.4124 -19.4124 -14.2652 -14.2652 -12.8856 -12.8856 -12.3343 -12.3343 -10.2901 -10.2901 -8.2620 -8.2620 -7.7318 -7.7318 -7.3135 -7.3135 -6.2298 -6.2298 -6.1206 -6.1206 -6.0530 -6.0530 -5.6452 -5.6452 -5.2323 -5.2323 -4.5293 -4.5293 -4.4201 -4.4201 -4.3465 -4.3465 -4.0593 -4.0593 -3.8347 -3.8347 -2.6468 -2.6468 -2.2701 -2.2701 -1.3307 -1.3307 -1.2142 -1.2142 -0.9473 -0.9473 -0.4618 -0.4618 -0.2995 -0.2995 3.2936 3.2936 6.1048 6.1048 7.2011 7.2011 7.6259 7.6259 7.8108 7.8108 8.0024 8.0024 k = 0.3182 0.0895 0.0827 ( 6165 PWs) bands (ev): -21.6993 -21.6993 -21.6656 -21.6656 -19.4221 -19.4221 -19.4131 -19.4131 -14.2625 -14.2625 -12.8848 -12.8848 -12.3254 -12.3254 -10.2920 -10.2920 -8.2581 -8.2581 -7.7434 -7.7434 -7.3107 -7.3107 -6.2389 -6.2389 -6.1381 -6.1381 -6.0493 -6.0493 -5.6457 -5.6457 -5.2290 -5.2290 -4.5433 -4.5433 -4.4329 -4.4329 -4.3577 -4.3577 -4.0744 -4.0744 -3.8422 -3.8422 -2.6442 -2.6442 -2.2603 -2.2603 -1.3387 -1.3387 -1.2041 -1.2041 -0.9420 -0.9420 -0.4668 -0.4668 -0.2984 -0.2984 3.2947 3.2947 6.1194 6.1194 7.2177 7.2177 7.6600 7.6600 7.8489 7.8489 8.0503 8.0503 k = 0.3295 0.0927 0.0857 ( 6163 PWs) bands (ev): -21.6973 -21.6973 -21.6643 -21.6643 -19.4225 -19.4225 -19.4137 -19.4137 -14.2598 -14.2598 -12.8840 -12.8840 -12.3168 -12.3168 -10.2938 -10.2938 -8.2541 -8.2541 -7.7547 -7.7547 -7.3080 -7.3080 -6.2492 -6.2492 -6.1551 -6.1551 -6.0439 -6.0439 -5.6458 -5.6458 -5.2260 -5.2260 -4.5581 -4.5581 -4.4441 -4.4441 -4.3685 -4.3685 -4.0891 -4.0891 -3.8492 -3.8492 -2.6417 -2.6417 -2.2510 -2.2510 -1.3464 -1.3464 -1.1942 -1.1942 -0.9373 -0.9373 -0.4717 -0.4717 -0.2973 -0.2973 3.2954 3.2954 6.1337 6.1337 7.2339 7.2339 7.6915 7.6915 7.8809 7.8809 8.1082 8.1082 k = 0.3409 0.0959 0.0886 ( 6161 PWs) bands (ev): -21.6954 -21.6954 -21.6630 -21.6630 -19.4230 -19.4230 -19.4142 -19.4142 -14.2572 -14.2572 -12.8832 -12.8832 -12.3086 -12.3086 -10.2956 -10.2956 -8.2502 -8.2502 -7.7657 -7.7657 -7.3054 -7.3054 -6.2601 -6.2601 -6.1713 -6.1713 -6.0376 -6.0376 -5.6454 -5.6454 -5.2234 -5.2234 -4.5735 -4.5735 -4.4537 -4.4537 -4.3788 -4.3788 -4.1034 -4.1034 -3.8559 -3.8559 -2.6393 -2.6393 -2.2421 -2.2421 -1.3538 -1.3538 -1.1843 -1.1843 -0.9333 -0.9333 -0.4766 -0.4766 -0.2961 -0.2961 3.2958 3.2958 6.1474 6.1474 7.2498 7.2498 7.7194 7.7194 7.9109 7.9109 8.1728 8.1728 k = 0.3523 0.0991 0.0916 ( 6166 PWs) bands (ev): -21.6936 -21.6936 -21.6618 -21.6618 -19.4235 -19.4235 -19.4148 -19.4148 -14.2548 -14.2548 -12.8824 -12.8824 -12.3007 -12.3007 -10.2973 -10.2973 -8.2464 -8.2464 -7.7763 -7.7763 -7.3028 -7.3028 -6.2714 -6.2714 -6.1866 -6.1866 -6.0309 -6.0309 -5.6446 -5.6446 -5.2212 -5.2212 -4.5892 -4.5892 -4.4620 -4.4620 -4.3886 -4.3886 -4.1172 -4.1172 -3.8622 -3.8622 -2.6371 -2.6371 -2.2338 -2.2338 -1.3609 -1.3609 -1.1745 -1.1745 -0.9299 -0.9299 -0.4813 -0.4813 -0.2949 -0.2949 3.2960 3.2960 6.1606 6.1606 7.2652 7.2652 7.7425 7.7425 7.9423 7.9423 8.2409 8.2409 k = 0.3636 0.1023 0.0945 ( 6171 PWs) bands (ev): -21.6918 -21.6918 -21.6606 -21.6606 -19.4239 -19.4239 -19.4153 -19.4153 -14.2524 -14.2524 -12.8815 -12.8815 -12.2933 -12.2933 -10.2990 -10.2990 -8.2427 -8.2427 -7.7864 -7.7864 -7.3003 -7.3003 -6.2825 -6.2825 -6.2010 -6.2010 -6.0241 -6.0241 -5.6433 -5.6433 -5.2194 -5.2194 -4.6049 -4.6049 -4.4690 -4.4690 -4.3978 -4.3978 -4.1304 -4.1304 -3.8681 -3.8681 -2.6349 -2.6349 -2.2259 -2.2259 -1.3676 -1.3676 -1.1650 -1.1650 -0.9273 -0.9273 -0.4859 -0.4859 -0.2937 -0.2937 3.2960 3.2960 6.1731 6.1731 7.2803 7.2803 7.7604 7.7604 7.9771 7.9771 8.3106 8.3106 k = 0.3750 0.1055 0.0975 ( 6174 PWs) bands (ev): -21.6902 -21.6902 -21.6595 -21.6595 -19.4243 -19.4243 -19.4159 -19.4159 -14.2502 -14.2502 -12.8807 -12.8807 -12.2863 -12.2863 -10.3005 -10.3005 -8.2391 -8.2391 -7.7960 -7.7960 -7.2980 -7.2980 -6.2935 -6.2935 -6.2143 -6.2143 -6.0175 -6.0175 -5.6417 -5.6417 -5.2179 -5.2179 -4.6203 -4.6203 -4.4749 -4.4749 -4.4065 -4.4065 -4.1430 -4.1430 -3.8736 -3.8736 -2.6330 -2.6330 -2.2185 -2.2185 -1.3738 -1.3738 -1.1556 -1.1556 -0.9253 -0.9253 -0.4902 -0.4902 -0.2926 -0.2926 3.2958 3.2958 6.1849 6.1849 7.2948 7.2948 7.7735 7.7735 8.0155 8.0155 8.3804 8.3804 k = 0.3864 0.1086 0.1004 ( 6168 PWs) bands (ev): -21.6887 -21.6887 -21.6585 -21.6585 -19.4246 -19.4246 -19.4163 -19.4163 -14.2482 -14.2482 -12.8800 -12.8800 -12.2798 -12.2798 -10.3019 -10.3019 -8.2357 -8.2357 -7.8050 -7.8050 -7.2958 -7.2958 -6.3039 -6.3039 -6.2265 -6.2265 -6.0112 -6.0112 -5.6398 -5.6398 -5.2167 -5.2167 -4.6351 -4.6351 -4.4797 -4.4797 -4.4146 -4.4146 -4.1548 -4.1548 -3.8786 -3.8786 -2.6311 -2.6311 -2.2117 -2.2117 -1.3796 -1.3796 -1.1466 -1.1466 -0.9239 -0.9239 -0.4942 -0.4942 -0.2915 -0.2915 3.2954 3.2954 6.1960 6.1960 7.3087 7.3087 7.7827 7.7827 8.0573 8.0573 8.4492 8.4492 k = 0.3977 0.1118 0.1034 ( 6172 PWs) bands (ev): -21.6872 -21.6872 -21.6576 -21.6576 -19.4250 -19.4250 -19.4168 -19.4168 -14.2463 -14.2463 -12.8792 -12.8792 -12.2738 -12.2738 -10.3032 -10.3032 -8.2325 -8.2325 -7.8134 -7.8134 -7.2938 -7.2938 -6.3138 -6.3138 -6.2377 -6.2377 -6.0053 -6.0053 -5.6375 -5.6375 -5.2158 -5.2158 -4.6492 -4.6492 -4.4836 -4.4836 -4.4222 -4.4222 -4.1659 -4.1659 -3.8832 -3.8832 -2.6295 -2.6295 -2.2055 -2.2055 -1.3849 -1.3849 -1.1380 -1.1380 -0.9232 -0.9232 -0.4980 -0.4980 -0.2904 -0.2904 3.2950 3.2950 6.2061 6.2061 7.3219 7.3219 7.7889 7.7889 8.1015 8.1015 8.5157 8.5157 k = 0.4091 0.1150 0.1064 ( 6171 PWs) bands (ev): -21.6859 -21.6859 -21.6567 -21.6567 -19.4253 -19.4253 -19.4172 -19.4172 -14.2446 -14.2446 -12.8785 -12.8785 -12.2684 -12.2684 -10.3045 -10.3045 -8.2295 -8.2295 -7.8211 -7.8211 -7.2919 -7.2919 -6.3229 -6.3229 -6.2477 -6.2477 -5.9999 -5.9999 -5.6352 -5.6352 -5.2150 -5.2150 -4.6623 -4.6623 -4.4867 -4.4867 -4.4292 -4.4292 -4.1760 -4.1760 -3.8873 -3.8873 -2.6280 -2.6280 -2.1999 -2.1999 -1.3897 -1.3897 -1.1298 -1.1298 -0.9229 -0.9229 -0.5014 -0.5014 -0.2894 -0.2894 3.2945 3.2945 6.2154 6.2154 7.3342 7.3342 7.7928 7.7928 8.1475 8.1475 8.5787 8.5787 k = 0.4205 0.1182 0.1093 ( 6175 PWs) bands (ev): -21.6848 -21.6848 -21.6560 -21.6560 -19.4256 -19.4256 -19.4175 -19.4175 -14.2431 -14.2431 -12.8779 -12.8779 -12.2635 -12.2635 -10.3055 -10.3055 -8.2267 -8.2267 -7.8281 -7.8281 -7.2902 -7.2902 -6.3312 -6.3312 -6.2565 -6.2565 -5.9951 -5.9951 -5.6327 -5.6327 -5.2145 -5.2145 -4.6744 -4.6744 -4.4890 -4.4890 -4.4357 -4.4357 -4.1852 -4.1852 -3.8909 -3.8909 -2.6266 -2.6266 -2.1949 -2.1949 -1.3939 -1.3939 -1.1222 -1.1222 -0.9231 -0.9231 -0.5045 -0.5045 -0.2886 -0.2886 3.2940 3.2940 6.2237 6.2237 7.3456 7.3456 7.7951 7.7951 8.1945 8.1945 8.6359 8.6359 k = 0.4318 0.1214 0.1123 ( 6176 PWs) bands (ev): -21.6838 -21.6838 -21.6553 -21.6553 -19.4258 -19.4258 -19.4178 -19.4178 -14.2418 -14.2418 -12.8774 -12.8774 -12.2592 -12.2592 -10.3065 -10.3065 -8.2243 -8.2243 -7.8342 -7.8342 -7.2887 -7.2887 -6.3385 -6.3385 -6.2642 -6.2642 -5.9910 -5.9910 -5.6303 -5.6303 -5.2142 -5.2142 -4.6851 -4.6851 -4.4907 -4.4907 -4.4415 -4.4415 -4.1934 -4.1934 -3.8941 -3.8941 -2.6254 -2.6254 -2.1906 -2.1906 -1.3976 -1.3976 -1.1152 -1.1152 -0.9236 -0.9236 -0.5072 -0.5072 -0.2878 -0.2878 3.2935 3.2935 6.2309 6.2309 7.3558 7.3558 7.7963 7.7963 8.2419 8.2419 8.6832 8.6832 k = 0.4432 0.1246 0.1152 ( 6176 PWs) bands (ev): -21.6829 -21.6829 -21.6548 -21.6548 -19.4260 -19.4260 -19.4181 -19.4181 -14.2406 -14.2406 -12.8769 -12.8769 -12.2556 -12.2556 -10.3073 -10.3073 -8.2221 -8.2221 -7.8395 -7.8395 -7.2874 -7.2874 -6.3449 -6.3449 -6.2707 -6.2707 -5.9875 -5.9875 -5.6280 -5.6280 -5.2139 -5.2139 -4.6944 -4.6944 -4.4918 -4.4918 -4.4466 -4.4466 -4.2004 -4.2004 -3.8967 -3.8967 -2.6244 -2.6244 -2.1869 -2.1869 -1.4008 -1.4008 -1.1090 -1.1090 -0.9243 -0.9243 -0.5095 -0.5095 -0.2871 -0.2871 3.2930 3.2930 6.2372 6.2372 7.3648 7.3648 7.7968 7.7968 8.2891 8.2891 8.7125 8.7125 k = 0.4545 0.1278 0.1182 ( 6167 PWs) bands (ev): -21.6822 -21.6822 -21.6543 -21.6543 -19.4262 -19.4262 -19.4183 -19.4183 -14.2397 -14.2397 -12.8764 -12.8764 -12.2526 -12.2526 -10.3080 -10.3080 -8.2203 -8.2203 -7.8439 -7.8439 -7.2864 -7.2864 -6.3501 -6.3501 -6.2761 -6.2761 -5.9846 -5.9846 -5.6260 -5.6260 -5.2138 -5.2138 -4.7022 -4.7022 -4.4924 -4.4924 -4.4510 -4.4510 -4.2063 -4.2063 -3.8989 -3.8989 -2.6236 -2.6236 -2.1838 -2.1838 -1.4034 -1.4034 -1.1037 -1.1037 -0.9252 -0.9252 -0.5114 -0.5114 -0.2865 -0.2865 3.2926 3.2926 6.2423 6.2423 7.3724 7.3724 7.7968 7.7968 8.3352 8.3352 8.7155 8.7155 k = 0.4659 0.1310 0.1211 ( 6165 PWs) bands (ev): -21.6816 -21.6816 -21.6540 -21.6540 -19.4263 -19.4263 -19.4185 -19.4185 -14.2389 -14.2389 -12.8761 -12.8761 -12.2502 -12.2502 -10.3085 -10.3085 -8.2189 -8.2189 -7.8474 -7.8474 -7.2855 -7.2855 -6.3543 -6.3543 -6.2802 -6.2802 -5.9824 -5.9824 -5.6243 -5.6243 -5.2137 -5.2137 -4.7084 -4.7084 -4.4927 -4.4927 -4.4545 -4.4545 -4.2109 -4.2109 -3.9006 -3.9006 -2.6230 -2.6230 -2.1815 -2.1815 -1.4054 -1.4054 -1.0995 -1.0995 -0.9260 -0.9260 -0.5129 -0.5129 -0.2860 -0.2860 3.2922 3.2922 6.2463 6.2463 7.3785 7.3785 7.7965 7.7965 8.3791 8.3791 8.6972 8.6972 k = 0.4773 0.1342 0.1241 ( 6164 PWs) bands (ev): -21.6812 -21.6812 -21.6537 -21.6537 -19.4264 -19.4264 -19.4186 -19.4186 -14.2384 -14.2384 -12.8759 -12.8759 -12.2485 -12.2485 -10.3089 -10.3089 -8.2178 -8.2178 -7.8499 -7.8499 -7.2849 -7.2849 -6.3573 -6.3573 -6.2832 -6.2832 -5.9808 -5.9808 -5.6230 -5.6230 -5.2137 -5.2137 -4.7128 -4.7128 -4.4927 -4.4927 -4.4572 -4.4572 -4.2143 -4.2143 -3.9019 -3.9019 -2.6225 -2.6225 -2.1798 -2.1798 -1.4069 -1.4069 -1.0963 -1.0963 -0.9267 -0.9267 -0.5140 -0.5140 -0.2857 -0.2857 3.2920 3.2920 6.2492 6.2492 7.3829 7.3829 7.7963 7.7963 8.4186 8.4186 8.6709 8.6709 k = 0.4886 0.1374 0.1270 ( 6168 PWs) bands (ev): -21.6809 -21.6809 -21.6535 -21.6535 -19.4265 -19.4265 -19.4187 -19.4187 -14.2381 -14.2381 -12.8758 -12.8758 -12.2475 -12.2475 -10.3092 -10.3092 -8.2172 -8.2172 -7.8514 -7.8514 -7.2846 -7.2846 -6.3591 -6.3591 -6.2850 -6.2850 -5.9799 -5.9799 -5.6222 -5.6222 -5.2137 -5.2137 -4.7155 -4.7155 -4.4927 -4.4927 -4.4589 -4.4589 -4.2163 -4.2163 -3.9026 -3.9026 -2.6222 -2.6222 -2.1787 -2.1787 -1.4078 -1.4078 -1.0944 -1.0944 -0.9272 -0.9272 -0.5146 -0.5146 -0.2855 -0.2855 3.2918 3.2918 6.2510 6.2510 7.3856 7.3856 7.7960 7.7960 8.4488 8.4488 8.6471 8.6471 k = 0.5000 0.1406 0.1300 ( 6170 PWs) bands (ev): -21.6809 -21.6809 -21.6535 -21.6535 -19.4265 -19.4265 -19.4187 -19.4187 -14.2380 -14.2380 -12.8757 -12.8757 -12.2472 -12.2472 -10.3092 -10.3092 -8.2170 -8.2170 -7.8519 -7.8519 -7.2844 -7.2844 -6.3597 -6.3597 -6.2856 -6.2856 -5.9796 -5.9796 -5.6220 -5.6220 -5.2137 -5.2137 -4.7164 -4.7164 -4.4926 -4.4926 -4.4595 -4.4595 -4.2170 -4.2170 -3.9028 -3.9028 -2.6221 -2.6221 -2.1784 -2.1784 -1.4080 -1.4080 -1.0937 -1.0937 -0.9273 -0.9273 -0.5149 -0.5149 -0.2854 -0.2854 3.2917 3.2917 6.2515 6.2515 7.3865 7.3865 7.7959 7.7959 8.4609 8.4609 8.6369 8.6369 k = 0.5000-0.2154 0.0382 ( 6154 PWs) bands (ev): -21.6716 -21.6716 -21.6671 -21.6671 -19.4170 -19.4170 -19.4123 -19.4123 -14.2729 -14.2729 -12.8956 -12.8956 -12.2194 -12.2194 -10.2650 -10.2650 -8.3164 -8.3164 -7.6035 -7.6035 -7.4750 -7.4750 -6.5051 -6.5051 -6.3051 -6.3051 -6.1621 -6.1621 -5.6412 -5.6412 -5.4744 -5.4744 -4.4688 -4.4688 -4.4003 -4.4003 -4.2375 -4.2375 -3.9268 -3.9268 -3.5836 -3.5836 -2.6648 -2.6648 -2.5019 -2.5019 -1.2750 -1.2750 -1.2437 -1.2437 -1.0689 -1.0689 -0.3574 -0.3574 -0.3082 -0.3082 3.1961 3.1961 6.1334 6.1334 7.4802 7.4802 7.9046 7.9046 8.2348 8.2348 9.2029 9.2029 k = 0.4889-0.2106 0.0373 ( 6157 PWs) bands (ev): -21.6718 -21.6718 -21.6671 -21.6671 -19.4170 -19.4170 -19.4123 -19.4123 -14.2730 -14.2730 -12.8956 -12.8956 -12.2198 -12.2198 -10.2650 -10.2650 -8.3164 -8.3164 -7.6034 -7.6034 -7.4748 -7.4748 -6.5046 -6.5046 -6.3050 -6.3050 -6.1616 -6.1616 -5.6408 -5.6408 -5.4743 -5.4743 -4.4685 -4.4685 -4.4001 -4.4001 -4.2374 -4.2374 -3.9268 -3.9268 -3.5837 -3.5837 -2.6648 -2.6648 -2.5019 -2.5019 -1.2752 -1.2752 -1.2436 -1.2436 -1.0687 -1.0687 -0.3575 -0.3575 -0.3081 -0.3081 3.1962 3.1962 6.1328 6.1328 7.4785 7.4785 7.9044 7.9044 8.2336 8.2336 9.2021 9.2021 k = 0.4778-0.2058 0.0365 ( 6154 PWs) bands (ev): -21.6723 -21.6723 -21.6669 -21.6669 -19.4170 -19.4170 -19.4122 -19.4122 -14.2732 -14.2732 -12.8957 -12.8957 -12.2208 -12.2208 -10.2649 -10.2649 -8.3163 -8.3163 -7.6031 -7.6031 -7.4743 -7.4743 -6.5032 -6.5032 -6.3046 -6.3046 -6.1601 -6.1601 -5.6398 -5.6398 -5.4741 -5.4741 -4.4676 -4.4676 -4.3996 -4.3996 -4.2371 -4.2371 -3.9265 -3.9265 -3.5837 -3.5837 -2.6650 -2.6650 -2.5019 -2.5019 -1.2758 -1.2758 -1.2434 -1.2434 -1.0682 -1.0682 -0.3577 -0.3577 -0.3078 -0.3078 3.1965 3.1965 6.1312 6.1312 7.4735 7.4735 7.9037 7.9037 8.2299 8.2299 9.1988 9.1988 k = 0.4667-0.2011 0.0356 ( 6148 PWs) bands (ev): -21.6732 -21.6732 -21.6666 -21.6666 -19.4170 -19.4170 -19.4121 -19.4121 -14.2734 -14.2734 -12.8958 -12.8958 -12.2225 -12.2225 -10.2649 -10.2649 -8.3161 -8.3161 -7.6026 -7.6026 -7.4735 -7.4735 -6.5009 -6.5009 -6.3039 -6.3039 -6.1577 -6.1577 -5.6380 -5.6380 -5.4737 -5.4737 -4.4660 -4.4660 -4.3987 -4.3987 -4.2367 -4.2367 -3.9261 -3.9261 -3.5838 -3.5838 -2.6654 -2.6654 -2.5018 -2.5018 -1.2767 -1.2767 -1.2430 -1.2430 -1.0673 -1.0673 -0.3581 -0.3581 -0.3073 -0.3073 3.1970 3.1970 6.1285 6.1285 7.4653 7.4653 7.9024 7.9024 8.2237 8.2237 9.1906 9.1906 k = 0.4556-0.1963 0.0348 ( 6147 PWs) bands (ev): -21.6742 -21.6742 -21.6664 -21.6664 -19.4169 -19.4169 -19.4120 -19.4120 -14.2739 -14.2739 -12.8960 -12.8960 -12.2249 -12.2249 -10.2649 -10.2649 -8.3159 -8.3159 -7.6019 -7.6019 -7.4723 -7.4723 -6.4977 -6.4977 -6.3029 -6.3029 -6.1542 -6.1542 -5.6356 -5.6356 -5.4733 -5.4733 -4.4639 -4.4639 -4.3975 -4.3975 -4.2360 -4.2360 -3.9256 -3.9256 -3.5839 -3.5839 -2.6659 -2.6659 -2.5018 -2.5018 -1.2779 -1.2779 -1.2426 -1.2426 -1.0661 -1.0661 -0.3586 -0.3586 -0.3067 -0.3067 3.1976 3.1976 6.1248 6.1248 7.4542 7.4542 7.9002 7.9002 8.2149 8.2149 9.1729 9.1729 k = 0.4444-0.1915 0.0340 ( 6145 PWs) bands (ev): -21.6754 -21.6754 -21.6663 -21.6663 -19.4169 -19.4169 -19.4118 -19.4118 -14.2744 -14.2744 -12.8963 -12.8963 -12.2280 -12.2280 -10.2648 -10.2648 -8.3156 -8.3156 -7.6009 -7.6009 -7.4708 -7.4708 -6.4936 -6.4936 -6.3015 -6.3015 -6.1498 -6.1498 -5.6326 -5.6326 -5.4726 -5.4726 -4.4611 -4.4611 -4.3960 -4.3960 -4.2351 -4.2351 -3.9248 -3.9248 -3.5841 -3.5841 -2.6665 -2.6665 -2.5017 -2.5017 -1.2794 -1.2794 -1.2421 -1.2421 -1.0646 -1.0646 -0.3593 -0.3593 -0.3059 -0.3059 3.1984 3.1984 6.1201 6.1201 7.4404 7.4404 7.8968 7.8968 8.2034 8.2034 9.1424 9.1424 k = 0.4333-0.1867 0.0331 ( 6143 PWs) bands (ev): -21.6768 -21.6768 -21.6663 -21.6663 -19.4168 -19.4168 -19.4117 -19.4117 -14.2750 -14.2750 -12.8966 -12.8966 -12.2317 -12.2317 -10.2647 -10.2647 -8.3152 -8.3152 -7.5999 -7.5999 -7.4690 -7.4690 -6.4888 -6.4888 -6.2997 -6.2997 -6.1445 -6.1445 -5.6289 -5.6289 -5.4719 -5.4719 -4.4579 -4.4579 -4.3942 -4.3942 -4.2340 -4.2340 -3.9239 -3.9239 -3.5843 -3.5843 -2.6672 -2.6672 -2.5016 -2.5016 -1.2810 -1.2810 -1.2417 -1.2417 -1.0629 -1.0629 -0.3600 -0.3600 -0.3050 -0.3050 3.1994 3.1994 6.1144 6.1144 7.4243 7.4243 7.8920 7.8920 8.1891 8.1891 9.1011 9.1011 k = 0.4222-0.1819 0.0323 ( 6143 PWs) bands (ev): -21.6783 -21.6783 -21.6663 -21.6663 -19.4168 -19.4168 -19.4114 -19.4114 -14.2758 -14.2758 -12.8969 -12.8969 -12.2361 -12.2361 -10.2646 -10.2646 -8.3148 -8.3148 -7.5986 -7.5986 -7.4669 -7.4669 -6.4833 -6.4833 -6.2973 -6.2973 -6.1382 -6.1382 -5.6247 -5.6247 -5.4710 -5.4710 -4.4541 -4.4541 -4.3920 -4.3920 -4.2327 -4.2327 -3.9227 -3.9227 -3.5845 -3.5845 -2.6681 -2.6681 -2.5015 -2.5015 -1.2827 -1.2827 -1.2412 -1.2412 -1.0610 -1.0610 -0.3609 -0.3609 -0.3040 -0.3040 3.2005 3.2005 6.1078 6.1078 7.4062 7.4062 7.8854 7.8854 8.1718 8.1718 9.0531 9.0531 k = 0.4111-0.1771 0.0314 ( 6142 PWs) bands (ev): -21.6799 -21.6799 -21.6664 -21.6664 -19.4167 -19.4167 -19.4112 -19.4112 -14.2766 -14.2766 -12.8973 -12.8973 -12.2411 -12.2411 -10.2645 -10.2645 -8.3144 -8.3144 -7.5971 -7.5971 -7.4645 -7.4645 -6.4773 -6.4773 -6.2944 -6.2944 -6.1311 -6.1311 -5.6199 -5.6199 -5.4699 -5.4699 -4.4498 -4.4498 -4.3895 -4.3895 -4.2310 -4.2310 -3.9213 -3.9213 -3.5849 -3.5849 -2.6691 -2.6691 -2.5014 -2.5014 -1.2846 -1.2846 -1.2408 -1.2408 -1.0590 -1.0590 -0.3617 -0.3617 -0.3029 -0.3029 3.2018 3.2018 6.1003 6.1003 7.3864 7.3864 7.8767 7.8767 8.1513 8.1513 9.0018 9.0018 k = 0.4000-0.1723 0.0306 ( 6147 PWs) bands (ev): -21.6816 -21.6816 -21.6667 -21.6667 -19.4166 -19.4166 -19.4109 -19.4109 -14.2775 -14.2775 -12.8977 -12.8977 -12.2466 -12.2466 -10.2644 -10.2644 -8.3140 -8.3140 -7.5956 -7.5956 -7.4618 -7.4618 -6.4708 -6.4708 -6.2908 -6.2908 -6.1232 -6.1232 -5.6146 -5.6146 -5.4687 -5.4687 -4.4452 -4.4452 -4.3867 -4.3867 -4.2291 -4.2291 -3.9196 -3.9196 -3.5852 -3.5852 -2.6702 -2.6702 -2.5013 -2.5013 -1.2865 -1.2865 -1.2405 -1.2405 -1.0570 -1.0570 -0.3626 -0.3626 -0.3019 -0.3019 3.2031 3.2031 6.0919 6.0919 7.3652 7.3652 7.8654 7.8654 8.1275 8.1275 8.9494 8.9494 k = 0.3889-0.1675 0.0297 ( 6141 PWs) bands (ev): -21.6834 -21.6834 -21.6670 -21.6670 -19.4165 -19.4165 -19.4106 -19.4106 -14.2786 -14.2786 -12.8981 -12.8981 -12.2528 -12.2528 -10.2643 -10.2643 -8.3136 -8.3136 -7.5938 -7.5938 -7.4587 -7.4587 -6.4639 -6.4639 -6.2863 -6.2863 -6.1144 -6.1144 -5.6090 -5.6090 -5.4674 -5.4674 -4.4403 -4.4403 -4.3836 -4.3836 -4.2268 -4.2268 -3.9177 -3.9177 -3.5857 -3.5857 -2.6715 -2.6715 -2.5011 -2.5011 -1.2883 -1.2883 -1.2401 -1.2401 -1.0549 -1.0549 -0.3636 -0.3636 -0.3008 -0.3008 3.2046 3.2046 6.0829 6.0829 7.3430 7.3430 7.8514 7.8514 8.1004 8.1004 8.8972 8.8972 k = 0.3778-0.1628 0.0289 ( 6139 PWs) bands (ev): -21.6852 -21.6852 -21.6675 -21.6675 -19.4164 -19.4164 -19.4103 -19.4103 -14.2797 -14.2797 -12.8985 -12.8985 -12.2595 -12.2595 -10.2641 -10.2641 -8.3133 -8.3133 -7.5919 -7.5919 -7.4555 -7.4555 -6.4569 -6.4569 -6.2809 -6.2809 -6.1048 -6.1048 -5.6029 -5.6029 -5.4660 -5.4660 -4.4351 -4.4351 -4.3801 -4.3801 -4.2242 -4.2242 -3.9154 -3.9154 -3.5862 -3.5862 -2.6728 -2.6728 -2.5010 -2.5010 -1.2903 -1.2903 -1.2398 -1.2398 -1.0529 -1.0529 -0.3645 -0.3645 -0.2998 -0.2998 3.2061 3.2061 6.0731 6.0731 7.3201 7.3201 7.8342 7.8342 8.0700 8.0700 8.8463 8.8463 k = 0.3667-0.1580 0.0280 ( 6137 PWs) bands (ev): -21.6872 -21.6872 -21.6680 -21.6680 -19.4163 -19.4163 -19.4100 -19.4100 -14.2809 -14.2809 -12.8990 -12.8990 -12.2667 -12.2667 -10.2640 -10.2640 -8.3129 -8.3129 -7.5899 -7.5899 -7.4520 -7.4520 -6.4498 -6.4498 -6.2745 -6.2745 -6.0945 -6.0945 -5.5966 -5.5966 -5.4644 -5.4644 -4.4299 -4.4299 -4.3761 -4.3761 -4.2212 -4.2212 -3.9127 -3.9127 -3.5868 -3.5868 -2.6743 -2.6743 -2.5008 -2.5008 -1.2922 -1.2922 -1.2396 -1.2396 -1.0511 -1.0511 -0.3654 -0.3654 -0.2988 -0.2988 3.2077 3.2077 6.0628 6.0628 7.2967 7.2967 7.8135 7.8135 8.0366 8.0366 8.7975 8.7975 k = 0.3556-0.1532 0.0272 ( 6131 PWs) bands (ev): -21.6893 -21.6893 -21.6686 -21.6686 -19.4162 -19.4162 -19.4097 -19.4097 -14.2822 -14.2822 -12.8994 -12.8994 -12.2744 -12.2744 -10.2638 -10.2638 -8.3126 -8.3126 -7.5877 -7.5877 -7.4482 -7.4482 -6.4428 -6.4428 -6.2669 -6.2669 -6.0834 -6.0834 -5.5899 -5.5899 -5.4627 -5.4627 -4.4247 -4.4247 -4.3717 -4.3717 -4.2178 -4.2178 -3.9097 -3.9097 -3.5875 -3.5875 -2.6759 -2.6759 -2.5005 -2.5005 -1.2941 -1.2941 -1.2393 -1.2393 -1.0493 -1.0493 -0.3663 -0.3663 -0.2979 -0.2979 3.2092 3.2092 6.0519 6.0519 7.2731 7.2731 7.7890 7.7890 8.0005 8.0005 8.7511 8.7511 k = 0.3444-0.1484 0.0263 ( 6138 PWs) bands (ev): -21.6914 -21.6914 -21.6693 -21.6693 -19.4160 -19.4160 -19.4093 -19.4093 -14.2836 -14.2836 -12.8998 -12.8998 -12.2825 -12.2825 -10.2635 -10.2635 -8.3124 -8.3124 -7.5854 -7.5854 -7.4443 -7.4443 -6.4361 -6.4361 -6.2581 -6.2581 -6.0716 -6.0716 -5.5832 -5.5832 -5.4610 -5.4610 -4.4196 -4.4196 -4.3666 -4.3666 -4.2139 -4.2139 -3.9064 -3.9064 -3.5883 -3.5883 -2.6775 -2.6775 -2.5003 -2.5003 -1.2961 -1.2961 -1.2389 -1.2389 -1.0478 -1.0478 -0.3672 -0.3672 -0.2971 -0.2971 3.2108 3.2108 6.0406 6.0406 7.2495 7.2495 7.7601 7.7601 7.9625 7.9625 8.7074 8.7074 k = 0.3333-0.1436 0.0255 ( 6141 PWs) bands (ev): -21.6935 -21.6935 -21.6701 -21.6701 -19.4159 -19.4159 -19.4089 -19.4089 -14.2851 -14.2851 -12.9002 -12.9002 -12.2911 -12.2911 -10.2633 -10.2633 -8.3122 -8.3122 -7.5830 -7.5830 -7.4402 -7.4402 -6.4297 -6.4297 -6.2481 -6.2481 -6.0591 -6.0591 -5.5762 -5.5762 -5.4592 -5.4592 -4.4149 -4.4149 -4.3610 -4.3610 -4.2097 -4.2097 -3.9026 -3.9026 -3.5892 -3.5892 -2.6792 -2.6792 -2.5000 -2.5000 -1.2982 -1.2982 -1.2385 -1.2385 -1.0466 -1.0466 -0.3680 -0.3680 -0.2964 -0.2964 3.2124 3.2124 6.0289 6.0289 7.2262 7.2262 7.7264 7.7264 7.9235 7.9235 8.6664 8.6664 k = 0.3222-0.1388 0.0246 ( 6142 PWs) bands (ev): -21.6958 -21.6958 -21.6710 -21.6710 -19.4157 -19.4157 -19.4085 -19.4085 -14.2866 -14.2866 -12.9005 -12.9005 -12.3000 -12.3000 -10.2630 -10.2630 -8.3121 -8.3121 -7.5804 -7.5804 -7.4360 -7.4360 -6.4237 -6.4237 -6.2367 -6.2367 -6.0459 -6.0459 -5.5693 -5.5693 -5.4573 -5.4573 -4.4105 -4.4105 -4.3545 -4.3545 -4.2050 -4.2050 -3.8984 -3.8984 -3.5902 -3.5902 -2.6810 -2.6810 -2.4997 -2.4997 -1.3004 -1.3004 -1.2380 -1.2380 -1.0456 -1.0456 -0.3688 -0.3688 -0.2958 -0.2958 3.2139 3.2139 6.0170 6.0170 7.2033 7.2033 7.6878 7.6878 7.8844 7.8844 8.6278 8.6278 k = 0.3111-0.1340 0.0238 ( 6145 PWs) bands (ev): -21.6980 -21.6980 -21.6719 -21.6719 -19.4155 -19.4155 -19.4081 -19.4081 -14.2881 -14.2881 -12.9008 -12.9008 -12.3093 -12.3093 -10.2627 -10.2627 -8.3121 -8.3121 -7.5778 -7.5778 -7.4316 -7.4316 -6.4181 -6.4181 -6.2241 -6.2241 -6.0321 -6.0321 -5.5623 -5.5623 -5.4554 -5.4554 -4.4067 -4.4067 -4.3473 -4.3473 -4.1998 -4.1998 -3.8939 -3.8939 -3.5913 -3.5913 -2.6829 -2.6829 -2.4994 -2.4994 -1.3027 -1.3027 -1.2374 -1.2374 -1.0449 -1.0449 -0.3696 -0.3696 -0.2954 -0.2954 3.2152 3.2152 6.0049 6.0049 7.1810 7.1810 7.6442 7.6442 7.8458 7.8458 8.5913 8.5913 k = 0.3000-0.1293 0.0229 ( 6144 PWs) bands (ev): -21.7003 -21.7003 -21.6729 -21.6729 -19.4154 -19.4154 -19.4077 -19.4077 -14.2897 -14.2897 -12.9011 -12.9011 -12.3189 -12.3189 -10.2624 -10.2624 -8.3122 -8.3122 -7.5751 -7.5751 -7.4272 -7.4272 -6.4131 -6.4131 -6.2103 -6.2103 -6.0178 -6.0178 -5.5554 -5.5554 -5.4536 -5.4536 -4.4035 -4.4035 -4.3392 -4.3392 -4.1942 -4.1942 -3.8889 -3.8889 -3.5925 -3.5925 -2.6848 -2.6848 -2.4991 -2.4991 -1.3053 -1.3053 -1.2367 -1.2367 -1.0446 -1.0446 -0.3703 -0.3703 -0.2951 -0.2951 3.2165 3.2165 5.9928 5.9928 7.1594 7.1594 7.5961 7.5961 7.8082 7.8082 8.5563 8.5563 k = 0.2889-0.1245 0.0221 ( 6149 PWs) bands (ev): -21.7026 -21.7026 -21.6739 -21.6739 -19.4152 -19.4152 -19.4073 -19.4073 -14.2913 -14.2913 -12.9012 -12.9012 -12.3288 -12.3288 -10.2621 -10.2621 -8.3124 -8.3124 -7.5722 -7.5722 -7.4227 -7.4227 -6.4085 -6.4085 -6.1953 -6.1953 -6.0028 -6.0028 -5.5487 -5.5487 -5.4517 -5.4517 -4.4007 -4.4007 -4.3305 -4.3305 -4.1882 -4.1882 -3.8836 -3.8836 -3.5938 -3.5938 -2.6868 -2.6868 -2.4987 -2.4987 -1.3080 -1.3080 -1.2359 -1.2359 -1.0445 -1.0445 -0.3709 -0.3709 -0.2949 -0.2949 3.2176 3.2176 5.9806 5.9806 7.1387 7.1387 7.5442 7.5442 7.7718 7.7718 8.5225 8.5225 k = 0.2778-0.1197 0.0212 ( 6150 PWs) bands (ev): -21.7049 -21.7049 -21.6750 -21.6750 -19.4150 -19.4150 -19.4069 -19.4069 -14.2930 -14.2930 -12.9013 -12.9013 -12.3388 -12.3388 -10.2618 -10.2618 -8.3127 -8.3127 -7.5693 -7.5693 -7.4182 -7.4182 -6.4044 -6.4044 -6.1793 -6.1793 -5.9874 -5.9874 -5.5421 -5.5421 -5.4500 -5.4500 -4.3986 -4.3986 -4.3209 -4.3209 -4.1818 -4.1818 -3.8780 -3.8780 -3.5953 -3.5953 -2.6887 -2.6887 -2.4983 -2.4983 -1.3109 -1.3109 -1.2349 -1.2349 -1.0448 -1.0448 -0.3716 -0.3716 -0.2949 -0.2949 3.2186 3.2186 5.9686 5.9686 7.1190 7.1190 7.4895 7.4895 7.7365 7.7365 8.4892 8.4892 k = 0.2667-0.1149 0.0204 ( 6148 PWs) bands (ev): -21.7072 -21.7072 -21.6761 -21.6761 -19.4148 -19.4148 -19.4065 -19.4065 -14.2947 -14.2947 -12.9014 -12.9014 -12.3491 -12.3491 -10.2614 -10.2614 -8.3130 -8.3130 -7.5663 -7.5663 -7.4138 -7.4138 -6.4006 -6.4006 -6.1624 -6.1624 -5.9714 -5.9714 -5.5358 -5.5358 -5.4484 -5.4484 -4.3969 -4.3969 -4.3108 -4.3108 -4.1750 -4.1750 -3.8720 -3.8720 -3.5968 -3.5968 -2.6907 -2.6907 -2.4980 -2.4980 -1.3141 -1.3141 -1.2338 -1.2338 -1.0453 -1.0453 -0.3722 -0.3722 -0.2950 -0.2950 3.2193 3.2193 5.9568 5.9568 7.1002 7.1002 7.4331 7.4331 7.7021 7.7021 8.4562 8.4562 k = 0.2556-0.1101 0.0195 ( 6149 PWs) bands (ev): -21.7095 -21.7095 -21.6772 -21.6772 -19.4146 -19.4146 -19.4061 -19.4061 -14.2964 -14.2964 -12.9013 -12.9013 -12.3595 -12.3595 -10.2610 -10.2610 -8.3135 -8.3135 -7.5633 -7.5633 -7.4093 -7.4093 -6.3972 -6.3972 -6.1447 -6.1447 -5.9550 -5.9550 -5.5298 -5.5298 -5.4469 -5.4469 -4.3956 -4.3956 -4.3000 -4.3000 -4.1679 -4.1679 -3.8657 -3.8657 -3.5985 -3.5985 -2.6927 -2.6927 -2.4976 -2.4976 -1.3175 -1.3175 -1.2327 -1.2327 -1.0461 -1.0461 -0.3727 -0.3727 -0.2952 -0.2952 3.2198 3.2198 5.9454 5.9454 7.0824 7.0824 7.3758 7.3758 7.6686 7.6686 8.4229 8.4229 k = 0.2444-0.1053 0.0187 ( 6150 PWs) bands (ev): -21.7118 -21.7118 -21.6784 -21.6784 -19.4144 -19.4144 -19.4057 -19.4057 -14.2981 -14.2981 -12.9011 -12.9011 -12.3699 -12.3699 -10.2606 -10.2606 -8.3141 -8.3141 -7.5602 -7.5602 -7.4050 -7.4050 -6.3942 -6.3942 -6.1264 -6.1264 -5.9383 -5.9383 -5.5241 -5.5241 -5.4456 -5.4456 -4.3947 -4.3947 -4.2888 -4.2888 -4.1604 -4.1604 -3.8592 -3.8592 -3.6002 -3.6002 -2.6947 -2.6947 -2.4972 -2.4972 -1.3212 -1.3212 -1.2316 -1.2316 -1.0471 -1.0471 -0.3732 -0.3732 -0.2956 -0.2956 3.2201 3.2201 5.9343 5.9343 7.0652 7.0652 7.3187 7.3187 7.6359 7.6359 8.3891 8.3891 k = 0.2333-0.1005 0.0178 ( 6151 PWs) bands (ev): -21.7141 -21.7141 -21.6796 -21.6796 -19.4142 -19.4142 -19.4052 -19.4052 -14.2998 -14.2998 -12.9009 -12.9009 -12.3804 -12.3804 -10.2602 -10.2602 -8.3148 -8.3148 -7.5571 -7.5571 -7.4007 -7.4007 -6.3914 -6.3914 -6.1075 -6.1075 -5.9211 -5.9211 -5.5189 -5.5189 -5.4444 -5.4444 -4.3942 -4.3942 -4.2770 -4.2770 -4.1527 -4.1527 -3.8525 -3.8525 -3.6021 -3.6021 -2.6966 -2.6966 -2.4968 -2.4968 -1.3252 -1.3252 -1.2306 -1.2306 -1.0482 -1.0482 -0.3737 -0.3737 -0.2960 -0.2960 3.2201 3.2201 5.9238 5.9238 7.0483 7.0483 7.2631 7.2631 7.6040 7.6040 8.3545 8.3545 k = 0.2222-0.0957 0.0170 ( 6154 PWs) bands (ev): -21.7163 -21.7163 -21.6808 -21.6808 -19.4140 -19.4140 -19.4048 -19.4048 -14.3015 -14.3015 -12.9006 -12.9006 -12.3909 -12.3909 -10.2598 -10.2598 -8.3155 -8.3155 -7.5539 -7.5539 -7.3965 -7.3965 -6.3888 -6.3888 -6.0883 -6.0883 -5.9037 -5.9037 -5.5142 -5.5142 -5.4435 -5.4435 -4.3940 -4.3940 -4.2649 -4.2649 -4.1448 -4.1448 -3.8457 -3.8457 -3.6041 -3.6041 -2.6985 -2.6985 -2.4965 -2.4965 -1.3293 -1.3293 -1.2297 -1.2297 -1.0494 -1.0494 -0.3742 -0.3742 -0.2966 -0.2966 3.2199 3.2199 5.9138 5.9138 7.0306 7.0306 7.2104 7.2104 7.5730 7.5730 8.3188 8.3188 k = 0.2111-0.0910 0.0161 ( 6150 PWs) bands (ev): -21.7185 -21.7185 -21.6819 -21.6819 -19.4138 -19.4138 -19.4044 -19.4044 -14.3032 -14.3032 -12.9001 -12.9001 -12.4014 -12.4014 -10.2593 -10.2593 -8.3164 -8.3164 -7.5508 -7.5508 -7.3925 -7.3925 -6.3865 -6.3865 -6.0687 -6.0687 -5.8860 -5.8860 -5.5099 -5.5099 -5.4429 -5.4429 -4.3940 -4.3940 -4.2525 -4.2525 -4.1366 -4.1366 -3.8387 -3.8387 -3.6061 -3.6061 -2.7003 -2.7003 -2.4961 -2.4961 -1.3337 -1.3337 -1.2290 -1.2290 -1.0505 -1.0505 -0.3748 -0.3748 -0.2972 -0.2972 3.2194 3.2194 5.9045 5.9045 7.0103 7.0103 7.1629 7.1629 7.5430 7.5430 8.2820 8.2820 k = 0.2000-0.0862 0.0153 ( 6153 PWs) bands (ev): -21.7207 -21.7207 -21.6831 -21.6831 -19.4136 -19.4136 -19.4041 -19.4041 -14.3048 -14.3048 -12.8995 -12.8995 -12.4117 -12.4117 -10.2589 -10.2589 -8.3173 -8.3173 -7.5477 -7.5477 -7.3886 -7.3886 -6.3844 -6.3844 -6.0491 -6.0491 -5.8682 -5.8682 -5.5063 -5.5063 -5.4425 -5.4425 -4.3943 -4.3943 -4.2399 -4.2399 -4.1284 -4.1284 -3.8318 -3.8318 -3.6082 -3.6082 -2.7022 -2.7022 -2.4957 -2.4957 -1.3382 -1.3382 -1.2286 -1.2286 -1.0515 -1.0515 -0.3753 -0.3753 -0.2979 -0.2979 3.2186 3.2186 5.8960 5.8960 6.9847 6.9847 7.1237 7.1237 7.5142 7.5142 8.2440 8.2440 k = 0.1889-0.0814 0.0144 ( 6146 PWs) bands (ev): -21.7227 -21.7227 -21.6843 -21.6843 -19.4134 -19.4134 -19.4037 -19.4037 -14.3064 -14.3064 -12.8989 -12.8989 -12.4219 -12.4219 -10.2584 -10.2584 -8.3182 -8.3182 -7.5446 -7.5446 -7.3849 -7.3849 -6.3824 -6.3824 -6.0294 -6.0294 -5.8502 -5.8502 -5.5033 -5.5033 -5.4423 -5.4423 -4.3947 -4.3947 -4.2270 -4.2270 -4.1202 -4.1202 -3.8249 -3.8249 -3.6103 -3.6103 -2.7039 -2.7039 -2.4954 -2.4954 -1.3429 -1.3429 -1.2286 -1.2286 -1.0523 -1.0523 -0.3758 -0.3758 -0.2986 -0.2986 3.2176 3.2176 5.8883 5.8883 6.9515 6.9515 7.0954 7.0954 7.4867 7.4867 8.2048 8.2048 k = 0.1778-0.0766 0.0136 ( 6147 PWs) bands (ev): -21.7247 -21.7247 -21.6854 -21.6854 -19.4132 -19.4132 -19.4033 -19.4033 -14.3080 -14.3080 -12.8982 -12.8982 -12.4319 -12.4319 -10.2580 -10.2580 -8.3192 -8.3192 -7.5416 -7.5416 -7.3814 -7.3814 -6.3806 -6.3806 -6.0098 -6.0098 -5.8321 -5.8321 -5.5010 -5.5010 -5.4423 -5.4423 -4.3953 -4.3953 -4.2141 -4.2141 -4.1119 -4.1119 -3.8181 -3.8181 -3.6125 -3.6125 -2.7056 -2.7056 -2.4950 -2.4950 -1.3477 -1.3477 -1.2290 -1.2290 -1.0528 -1.0528 -0.3764 -0.3764 -0.2994 -0.2994 3.2163 3.2163 5.8815 5.8815 6.9115 6.9115 7.0773 7.0773 7.4607 7.4607 8.1643 8.1643 k = 0.1667-0.0718 0.0127 ( 6146 PWs) bands (ev): -21.7267 -21.7267 -21.6865 -21.6865 -19.4130 -19.4130 -19.4030 -19.4030 -14.3095 -14.3095 -12.8974 -12.8974 -12.4416 -12.4416 -10.2575 -10.2575 -8.3202 -8.3202 -7.5386 -7.5386 -7.3780 -7.3780 -6.3789 -6.3789 -5.9904 -5.9904 -5.8141 -5.8141 -5.4995 -5.4995 -5.4426 -5.4426 -4.3959 -4.3959 -4.2012 -4.2012 -4.1037 -4.1037 -3.8114 -3.8114 -3.6148 -3.6148 -2.7071 -2.7071 -2.4947 -2.4947 -1.3526 -1.3526 -1.2299 -1.2299 -1.0530 -1.0530 -0.3770 -0.3770 -0.3002 -0.3002 3.2148 3.2148 5.8756 5.8756 6.8677 6.8677 7.0668 7.0668 7.4364 7.4364 8.1228 8.1228 k = 0.1556-0.0670 0.0119 ( 6144 PWs) bands (ev): -21.7285 -21.7285 -21.6875 -21.6875 -19.4128 -19.4128 -19.4026 -19.4026 -14.3109 -14.3109 -12.8965 -12.8965 -12.4510 -12.4510 -10.2571 -10.2571 -8.3212 -8.3212 -7.5357 -7.5357 -7.3749 -7.3749 -6.3774 -6.3774 -5.9714 -5.9714 -5.7961 -5.7961 -5.4987 -5.4987 -5.4431 -5.4431 -4.3967 -4.3967 -4.1884 -4.1884 -4.0956 -4.0956 -3.8050 -3.8050 -3.6170 -3.6170 -2.7086 -2.7086 -2.4944 -2.4944 -1.3575 -1.3575 -1.2312 -1.2312 -1.0528 -1.0528 -0.3777 -0.3777 -0.3009 -0.3009 3.2131 3.2131 5.8707 5.8707 6.8225 6.8225 7.0613 7.0613 7.4141 7.4141 8.0802 8.0802 k = 0.1444-0.0622 0.0110 ( 6141 PWs) bands (ev): -21.7303 -21.7303 -21.6886 -21.6886 -19.4127 -19.4127 -19.4023 -19.4023 -14.3123 -14.3123 -12.8955 -12.8955 -12.4601 -12.4601 -10.2567 -10.2567 -8.3223 -8.3223 -7.5330 -7.5330 -7.3720 -7.3720 -6.3760 -6.3760 -5.9528 -5.9528 -5.7783 -5.7783 -5.4988 -5.4988 -5.4438 -5.4438 -4.3975 -4.3975 -4.1759 -4.1759 -4.0877 -4.0877 -3.7989 -3.7989 -3.6193 -3.6193 -2.7100 -2.7100 -2.4941 -2.4941 -1.3623 -1.3623 -1.2330 -1.2330 -1.0523 -1.0523 -0.3784 -0.3784 -0.3017 -0.3017 3.2113 3.2113 5.8668 5.8668 6.7776 6.7776 7.0593 7.0593 7.3940 7.3940 8.0369 8.0369 k = 0.1333-0.0574 0.0102 ( 6143 PWs) bands (ev): -21.7319 -21.7319 -21.6895 -21.6895 -19.4125 -19.4125 -19.4020 -19.4020 -14.3136 -14.3136 -12.8945 -12.8945 -12.4688 -12.4688 -10.2563 -10.2563 -8.3233 -8.3233 -7.5303 -7.5303 -7.3692 -7.3692 -6.3747 -6.3747 -5.9347 -5.9347 -5.7607 -5.7607 -5.4996 -5.4996 -5.4447 -5.4447 -4.3984 -4.3984 -4.1636 -4.1636 -4.0800 -4.0800 -3.7930 -3.7930 -3.6215 -3.6215 -2.7113 -2.7113 -2.4938 -2.4938 -1.3671 -1.3671 -1.2353 -1.2353 -1.0514 -1.0514 -0.3791 -0.3791 -0.3024 -0.3024 3.2093 3.2093 5.8638 5.8638 6.7339 6.7339 7.0597 7.0597 7.3765 7.3765 7.9929 7.9929 k = 0.1222-0.0527 0.0093 ( 6141 PWs) bands (ev): -21.7335 -21.7335 -21.6905 -21.6905 -19.4123 -19.4123 -19.4017 -19.4017 -14.3148 -14.3148 -12.8935 -12.8935 -12.4770 -12.4770 -10.2559 -10.2559 -8.3243 -8.3243 -7.5279 -7.5279 -7.3667 -7.3667 -6.3735 -6.3735 -5.9174 -5.9174 -5.7435 -5.7435 -5.5013 -5.5013 -5.4458 -5.4458 -4.3993 -4.3993 -4.1518 -4.1518 -4.0726 -4.0726 -3.7876 -3.7876 -3.6236 -3.6236 -2.7125 -2.7125 -2.4936 -2.4936 -1.3717 -1.3717 -1.2379 -1.2379 -1.0501 -1.0501 -0.3799 -0.3799 -0.3031 -0.3031 3.2072 3.2072 5.8618 5.8618 6.6921 6.6921 7.0619 7.0619 7.3619 7.3619 7.9485 7.9485 k = 0.1111-0.0479 0.0085 ( 6142 PWs) bands (ev): -21.7349 -21.7349 -21.6913 -21.6913 -19.4122 -19.4122 -19.4015 -19.4015 -14.3160 -14.3160 -12.8925 -12.8925 -12.4848 -12.4848 -10.2556 -10.2556 -8.3252 -8.3252 -7.5255 -7.5255 -7.3644 -7.3644 -6.3724 -6.3724 -5.9009 -5.9009 -5.7266 -5.7266 -5.5038 -5.5038 -5.4471 -5.4471 -4.4001 -4.4001 -4.1406 -4.1406 -4.0655 -4.0655 -3.7825 -3.7825 -3.6257 -3.6257 -2.7136 -2.7136 -2.4933 -2.4933 -1.3761 -1.3761 -1.2407 -1.2407 -1.0486 -1.0486 -0.3808 -0.3808 -0.3037 -0.3037 3.2051 3.2051 5.8606 5.8606 6.6525 6.6525 7.0651 7.0651 7.3505 7.3505 7.9039 7.9039 k = 0.1000-0.0431 0.0076 ( 6140 PWs) bands (ev): -21.7362 -21.7362 -21.6921 -21.6921 -19.4121 -19.4121 -19.4012 -19.4012 -14.3170 -14.3170 -12.8914 -12.8914 -12.4919 -12.4919 -10.2552 -10.2552 -8.3261 -8.3261 -7.5234 -7.5234 -7.3623 -7.3623 -6.3714 -6.3714 -5.8853 -5.8853 -5.7102 -5.7102 -5.5070 -5.5070 -5.4485 -5.4485 -4.4009 -4.4009 -4.1300 -4.1300 -4.0588 -4.0588 -3.7779 -3.7779 -3.6277 -3.6277 -2.7146 -2.7146 -2.4931 -2.4931 -1.3803 -1.3803 -1.2438 -1.2438 -1.0470 -1.0470 -0.3816 -0.3816 -0.3042 -0.3042 3.2031 3.2031 5.8603 5.8603 6.6154 6.6154 7.0689 7.0689 7.3430 7.3430 7.8594 7.8594 k = 0.0889-0.0383 0.0068 ( 6143 PWs) bands (ev): -21.7374 -21.7374 -21.6928 -21.6928 -19.4119 -19.4119 -19.4010 -19.4010 -14.3180 -14.3180 -12.8904 -12.8904 -12.4985 -12.4985 -10.2549 -10.2549 -8.3270 -8.3270 -7.5214 -7.5214 -7.3605 -7.3605 -6.3706 -6.3706 -5.8707 -5.8707 -5.6943 -5.6943 -5.5109 -5.5109 -5.4501 -5.4501 -4.4017 -4.4017 -4.1203 -4.1203 -4.0526 -4.0526 -3.7737 -3.7737 -3.6295 -3.6295 -2.7155 -2.7155 -2.4929 -2.4929 -1.3842 -1.3842 -1.2469 -1.2469 -1.0452 -1.0452 -0.3824 -0.3824 -0.3047 -0.3047 3.2010 3.2010 5.8608 5.8608 6.5813 6.5813 7.0727 7.0727 7.3395 7.3395 7.8152 7.8152 k = 0.0778-0.0335 0.0059 ( 6141 PWs) bands (ev): -21.7385 -21.7385 -21.6935 -21.6935 -19.4118 -19.4118 -19.4008 -19.4008 -14.3189 -14.3189 -12.8894 -12.8894 -12.5045 -12.5045 -10.2546 -10.2546 -8.3277 -8.3277 -7.5197 -7.5197 -7.3588 -7.3588 -6.3698 -6.3698 -5.8574 -5.8574 -5.6792 -5.6792 -5.5153 -5.5153 -5.4517 -5.4517 -4.4024 -4.4024 -4.1114 -4.1114 -4.0469 -4.0469 -3.7701 -3.7701 -3.6312 -3.6312 -2.7163 -2.7163 -2.4927 -2.4927 -1.3878 -1.3878 -1.2499 -1.2499 -1.0433 -1.0433 -0.3832 -0.3832 -0.3052 -0.3052 3.1991 3.1991 5.8618 5.8618 6.5502 6.5502 7.0761 7.0761 7.3405 7.3405 7.7717 7.7717 k = 0.0667-0.0287 0.0051 ( 6141 PWs) bands (ev): -21.7394 -21.7394 -21.6940 -21.6940 -19.4117 -19.4117 -19.4007 -19.4007 -14.3196 -14.3196 -12.8886 -12.8886 -12.5097 -12.5097 -10.2544 -10.2544 -8.3284 -8.3284 -7.5181 -7.5181 -7.3574 -7.3574 -6.3692 -6.3692 -5.8454 -5.8454 -5.6648 -5.6648 -5.5203 -5.5203 -5.4534 -5.4534 -4.4030 -4.4030 -4.1035 -4.1035 -4.0418 -4.0418 -3.7669 -3.7669 -3.6327 -3.6327 -2.7169 -2.7169 -2.4926 -2.4926 -1.3910 -1.3910 -1.2528 -1.2528 -1.0415 -1.0415 -0.3840 -0.3840 -0.3055 -0.3055 3.1974 3.1974 5.8632 5.8632 6.5226 6.5226 7.0787 7.0787 7.3461 7.3461 7.7292 7.7292 k = 0.0556-0.0239 0.0042 ( 6141 PWs) bands (ev): -21.7402 -21.7402 -21.6945 -21.6945 -19.4117 -19.4117 -19.4005 -19.4005 -14.3203 -14.3203 -12.8877 -12.8877 -12.5142 -12.5142 -10.2542 -10.2542 -8.3290 -8.3290 -7.5168 -7.5168 -7.3562 -7.3562 -6.3686 -6.3686 -5.8350 -5.8350 -5.6514 -5.6514 -5.5257 -5.5257 -5.4551 -5.4551 -4.4035 -4.4035 -4.0967 -4.0967 -4.0373 -4.0373 -3.7642 -3.7642 -3.6341 -3.6341 -2.7175 -2.7175 -2.4924 -2.4924 -1.3937 -1.3937 -1.2555 -1.2555 -1.0399 -1.0399 -0.3847 -0.3847 -0.3058 -0.3058 3.1958 3.1958 5.8649 5.8649 6.4986 6.4986 7.0805 7.0805 7.3560 7.3560 7.6881 7.6881 k = 0.0444-0.0191 0.0034 ( 6133 PWs) bands (ev): -21.7409 -21.7409 -21.6949 -21.6949 -19.4116 -19.4116 -19.4004 -19.4004 -14.3208 -14.3208 -12.8871 -12.8871 -12.5180 -12.5180 -10.2540 -10.2540 -8.3295 -8.3295 -7.5157 -7.5157 -7.3552 -7.3552 -6.3681 -6.3681 -5.8262 -5.8262 -5.6392 -5.6392 -5.5313 -5.5313 -5.4567 -5.4567 -4.4040 -4.4040 -4.0911 -4.0911 -4.0335 -4.0335 -3.7620 -3.7620 -3.6352 -3.6352 -2.7179 -2.7179 -2.4923 -2.4923 -1.3961 -1.3961 -1.2577 -1.2577 -1.0384 -1.0384 -0.3853 -0.3853 -0.3060 -0.3060 3.1945 3.1945 5.8667 5.8667 6.4785 6.4785 7.0815 7.0815 7.3699 7.3699 7.6489 7.6489 k = 0.0333-0.0144 0.0025 ( 6135 PWs) bands (ev): -21.7414 -21.7414 -21.6952 -21.6952 -19.4115 -19.4115 -19.4003 -19.4003 -14.3212 -14.3212 -12.8865 -12.8865 -12.5209 -12.5209 -10.2538 -10.2538 -8.3299 -8.3299 -7.5148 -7.5148 -7.3545 -7.3545 -6.3678 -6.3678 -5.8192 -5.8192 -5.6285 -5.6285 -5.5368 -5.5368 -5.4581 -5.4581 -4.4044 -4.4044 -4.0866 -4.0866 -4.0305 -4.0305 -3.7603 -3.7603 -3.6361 -3.6361 -2.7183 -2.7183 -2.4922 -2.4922 -1.3979 -1.3979 -1.2596 -1.2596 -1.0372 -1.0372 -0.3858 -0.3858 -0.3062 -0.3062 3.1934 3.1934 5.8683 5.8683 6.4626 6.4626 7.0820 7.0820 7.3868 7.3868 7.6126 7.6126 k = 0.0222-0.0096 0.0017 ( 6130 PWs) bands (ev): -21.7417 -21.7417 -21.6955 -21.6955 -19.4115 -19.4115 -19.4002 -19.4002 -14.3215 -14.3215 -12.8861 -12.8861 -12.5231 -12.5231 -10.2537 -10.2537 -8.3302 -8.3302 -7.5142 -7.5142 -7.3539 -7.3539 -6.3675 -6.3675 -5.8140 -5.8140 -5.6199 -5.6199 -5.5417 -5.5417 -5.4592 -5.4592 -4.4046 -4.4046 -4.0834 -4.0834 -4.0282 -4.0282 -3.7591 -3.7591 -3.6367 -3.6367 -2.7185 -2.7185 -2.4922 -2.4922 -1.3992 -1.3992 -1.2610 -1.2610 -1.0364 -1.0364 -0.3862 -0.3862 -0.3063 -0.3063 3.1926 3.1926 5.8697 5.8697 6.4510 6.4510 7.0821 7.0821 7.4050 7.4050 7.5807 7.5807 k = 0.0111-0.0048 0.0008 ( 6132 PWs) bands (ev): -21.7420 -21.7420 -21.6956 -21.6956 -19.4115 -19.4115 -19.4002 -19.4002 -14.3217 -14.3217 -12.8858 -12.8858 -12.5244 -12.5244 -10.2537 -10.2537 -8.3304 -8.3304 -7.5138 -7.5138 -7.3536 -7.3536 -6.3674 -6.3674 -5.8109 -5.8109 -5.6140 -5.6140 -5.5453 -5.5453 -5.4598 -5.4598 -4.4048 -4.4048 -4.0815 -4.0815 -4.0269 -4.0269 -3.7584 -3.7584 -3.6371 -3.6371 -2.7187 -2.7187 -2.4921 -2.4921 -1.4000 -1.4000 -1.2618 -1.2618 -1.0358 -1.0358 -0.3864 -0.3864 -0.3064 -0.3064 3.1921 3.1921 5.8705 5.8705 6.4440 6.4440 7.0821 7.0821 7.4209 7.4209 7.5566 7.5566 k = 0.0000 0.0000 0.0000 ( 6131 PWs) bands (ev): -21.7420 -21.7420 -21.6956 -21.6956 -19.4115 -19.4115 -19.4002 -19.4002 -14.3217 -14.3217 -12.8857 -12.8857 -12.5248 -12.5248 -10.2536 -10.2536 -8.3304 -8.3304 -7.5137 -7.5137 -7.3535 -7.3535 -6.3673 -6.3673 -5.8099 -5.8099 -5.6119 -5.6119 -5.5466 -5.5466 -5.4601 -5.4601 -4.4048 -4.4048 -4.0808 -4.0808 -4.0264 -4.0264 -3.7581 -3.7581 -3.6372 -3.6372 -2.7188 -2.7188 -2.4921 -2.4921 -1.4003 -1.4003 -1.2621 -1.2621 -1.0356 -1.0356 -0.3865 -0.3865 -0.3064 -0.3064 3.1919 3.1919 5.8708 5.8708 6.4417 6.4417 7.0821 7.0821 7.4278 7.4278 7.5470 7.5470 k = 0.0000 0.0000 0.0000 ( 6131 PWs) bands (ev): -21.7420 -21.7420 -21.6956 -21.6956 -19.4115 -19.4115 -19.4002 -19.4002 -14.3217 -14.3217 -12.8857 -12.8857 -12.5248 -12.5248 -10.2536 -10.2536 -8.3304 -8.3304 -7.5137 -7.5137 -7.3535 -7.3535 -6.3673 -6.3673 -5.8099 -5.8099 -5.6119 -5.6119 -5.5466 -5.5466 -5.4601 -5.4601 -4.4048 -4.4048 -4.0808 -4.0808 -4.0264 -4.0264 -3.7581 -3.7581 -3.6372 -3.6372 -2.7188 -2.7188 -2.4921 -2.4921 -1.4003 -1.4003 -1.2621 -1.2621 -1.0356 -1.0356 -0.3865 -0.3865 -0.3064 -0.3064 3.1919 3.1919 5.8708 5.8708 6.4417 6.4417 7.0821 7.0821 7.4278 7.4278 7.5470 7.5470 k =-0.0114-0.0032 0.0026 ( 6132 PWs) bands (ev): -21.7419 -21.7419 -21.6956 -21.6956 -19.4115 -19.4115 -19.4002 -19.4002 -14.3216 -14.3216 -12.8856 -12.8856 -12.5246 -12.5246 -10.2535 -10.2535 -8.3305 -8.3305 -7.5140 -7.5140 -7.3535 -7.3535 -6.3669 -6.3669 -5.8106 -5.8106 -5.6130 -5.6130 -5.5478 -5.5478 -5.4584 -5.4584 -4.4048 -4.4048 -4.0815 -4.0815 -4.0273 -4.0273 -3.7586 -3.7586 -3.6378 -3.6378 -2.7189 -2.7189 -2.4914 -2.4914 -1.4001 -1.4001 -1.2616 -1.2616 -1.0359 -1.0359 -0.3868 -0.3868 -0.3062 -0.3062 3.1924 3.1924 5.8709 5.8709 6.4436 6.4436 7.0825 7.0825 7.4251 7.4251 7.5518 7.5518 k =-0.0227-0.0064 0.0051 ( 6130 PWs) bands (ev): -21.7417 -21.7417 -21.6954 -21.6954 -19.4116 -19.4116 -19.4003 -19.4003 -14.3213 -14.3213 -12.8854 -12.8854 -12.5240 -12.5240 -10.2533 -10.2533 -8.3309 -8.3309 -7.5148 -7.5148 -7.3536 -7.3536 -6.3657 -6.3657 -5.8128 -5.8128 -5.6161 -5.6161 -5.5511 -5.5511 -5.4537 -5.4537 -4.4049 -4.4049 -4.0836 -4.0836 -4.0299 -4.0299 -3.7599 -3.7599 -3.6394 -3.6394 -2.7192 -2.7192 -2.4891 -2.4891 -1.3996 -1.3996 -1.2600 -1.2600 -1.0367 -1.0367 -0.3876 -0.3876 -0.3056 -0.3056 3.1936 3.1936 5.8710 5.8710 6.4494 6.4494 7.0836 7.0836 7.4182 7.4182 7.5650 7.5650 k =-0.0341-0.0096 0.0077 ( 6132 PWs) bands (ev): -21.7413 -21.7413 -21.6952 -21.6952 -19.4117 -19.4117 -19.4004 -19.4004 -14.3208 -14.3208 -12.8849 -12.8849 -12.5230 -12.5230 -10.2528 -10.2528 -8.3315 -8.3315 -7.5162 -7.5162 -7.3536 -7.3536 -6.3636 -6.3636 -5.8165 -5.8165 -5.6213 -5.6213 -5.5555 -5.5555 -5.4468 -5.4468 -4.4050 -4.4050 -4.0871 -4.0871 -4.0342 -4.0342 -3.7622 -3.7622 -3.6421 -3.6421 -2.7198 -2.7198 -2.4853 -2.4853 -1.3988 -1.3988 -1.2574 -1.2574 -1.0381 -1.0381 -0.3891 -0.3891 -0.3047 -0.3047 3.1957 3.1957 5.8712 5.8712 6.4589 6.4589 7.0855 7.0855 7.4094 7.4094 7.5843 7.5843 k =-0.0455-0.0128 0.0102 ( 6135 PWs) bands (ev): -21.7408 -21.7408 -21.6948 -21.6948 -19.4118 -19.4118 -19.4005 -19.4005 -14.3201 -14.3201 -12.8842 -12.8842 -12.5216 -12.5216 -10.2521 -10.2521 -8.3324 -8.3324 -7.5182 -7.5182 -7.3537 -7.3537 -6.3608 -6.3608 -5.8217 -5.8217 -5.6286 -5.6286 -5.5603 -5.5603 -5.4385 -5.4385 -4.4052 -4.4052 -4.0920 -4.0920 -4.0402 -4.0402 -3.7653 -3.7653 -3.6458 -3.6458 -2.7205 -2.7205 -2.4801 -2.4801 -1.3977 -1.3977 -1.2538 -1.2538 -1.0399 -1.0399 -0.3910 -0.3910 -0.3034 -0.3034 3.1985 3.1985 5.8717 5.8717 6.4721 6.4721 7.0882 7.0882 7.4004 7.4004 7.6079 7.6079 k =-0.0568-0.0160 0.0128 ( 6142 PWs) bands (ev): -21.7402 -21.7402 -21.6943 -21.6943 -19.4120 -19.4120 -19.4007 -19.4007 -14.3192 -14.3192 -12.8833 -12.8833 -12.5199 -12.5199 -10.2513 -10.2513 -8.3335 -8.3335 -7.5208 -7.5208 -7.3538 -7.3538 -6.3572 -6.3572 -5.8283 -5.8283 -5.6379 -5.6379 -5.5652 -5.5652 -5.4292 -5.4292 -4.4054 -4.4054 -4.0982 -4.0982 -4.0477 -4.0477 -3.7693 -3.7693 -3.6505 -3.6505 -2.7213 -2.7213 -2.4737 -2.4737 -1.3962 -1.3962 -1.2496 -1.2496 -1.0421 -1.0421 -0.3933 -0.3933 -0.3019 -0.3019 3.2021 3.2021 5.8724 5.8724 6.4889 6.4889 7.0918 7.0918 7.3923 7.3923 7.6346 7.6346 k =-0.0682-0.0192 0.0154 ( 6144 PWs) bands (ev): -21.7394 -21.7394 -21.6937 -21.6937 -19.4122 -19.4122 -19.4009 -19.4009 -14.3180 -14.3180 -12.8823 -12.8823 -12.5177 -12.5177 -10.2503 -10.2503 -8.3348 -8.3348 -7.5239 -7.5239 -7.3539 -7.3539 -6.3529 -6.3529 -5.8364 -5.8364 -5.6487 -5.6487 -5.5697 -5.5697 -5.4194 -5.4194 -4.4058 -4.4058 -4.1057 -4.1057 -4.0567 -4.0567 -3.7742 -3.7742 -3.6560 -3.6560 -2.7222 -2.7222 -2.4661 -2.4661 -1.3945 -1.3945 -1.2446 -1.2446 -1.0445 -1.0445 -0.3959 -0.3959 -0.3003 -0.3003 3.2064 3.2064 5.8734 5.8734 6.5090 6.5090 7.0962 7.0962 7.3858 7.3858 7.6638 7.6638 k =-0.0795-0.0224 0.0179 ( 6146 PWs) bands (ev): -21.7384 -21.7384 -21.6930 -21.6930 -19.4125 -19.4125 -19.4011 -19.4011 -14.3167 -14.3167 -12.8811 -12.8811 -12.5152 -12.5152 -10.2491 -10.2491 -8.3364 -8.3364 -7.5276 -7.5276 -7.3539 -7.3539 -6.3478 -6.3478 -5.8459 -5.8459 -5.6609 -5.6609 -5.5740 -5.5740 -5.4094 -5.4094 -4.4062 -4.4062 -4.1146 -4.1146 -4.0672 -4.0672 -3.7799 -3.7799 -3.6624 -3.6624 -2.7231 -2.7231 -2.4574 -2.4574 -1.3924 -1.3924 -1.2393 -1.2393 -1.0469 -1.0469 -0.3988 -0.3988 -0.2985 -0.2985 3.2114 3.2114 5.8749 5.8749 6.5322 6.5322 7.1015 7.1015 7.3812 7.3812 7.6949 7.6949 k =-0.0909-0.0256 0.0205 ( 6139 PWs) bands (ev): -21.7373 -21.7373 -21.6923 -21.6923 -19.4128 -19.4128 -19.4014 -19.4014 -14.3153 -14.3153 -12.8797 -12.8797 -12.5123 -12.5123 -10.2478 -10.2478 -8.3381 -8.3381 -7.5319 -7.5319 -7.3539 -7.3539 -6.3421 -6.3421 -5.8568 -5.8568 -5.6742 -5.6742 -5.5779 -5.5779 -5.3994 -5.3994 -4.4068 -4.4068 -4.1247 -4.1247 -4.0789 -4.0789 -3.7864 -3.7864 -3.6696 -3.6696 -2.7239 -2.7239 -2.4478 -2.4478 -1.3901 -1.3901 -1.2339 -1.2339 -1.0491 -1.0491 -0.4019 -0.4019 -0.2968 -0.2968 3.2169 3.2169 5.8769 5.8769 6.5585 6.5585 7.1079 7.1079 7.3786 7.3786 7.7277 7.7277 k =-0.1023-0.0288 0.0231 ( 6144 PWs) bands (ev): -21.7361 -21.7361 -21.6914 -21.6914 -19.4131 -19.4131 -19.4018 -19.4018 -14.3136 -14.3136 -12.8781 -12.8781 -12.5091 -12.5091 -10.2463 -10.2463 -8.3400 -8.3400 -7.5368 -7.5368 -7.3538 -7.3538 -6.3357 -6.3357 -5.8691 -5.8691 -5.6883 -5.6883 -5.5817 -5.5817 -5.3895 -5.3895 -4.4076 -4.4076 -4.1360 -4.1360 -4.0917 -4.0917 -3.7936 -3.7936 -3.6774 -3.6774 -2.7246 -2.7246 -2.4375 -2.4375 -1.3876 -1.3876 -1.2286 -1.2286 -1.0509 -1.0509 -0.4052 -0.4052 -0.2952 -0.2952 3.2229 3.2229 5.8796 5.8796 6.5876 6.5876 7.1153 7.1153 7.3784 7.3784 7.7618 7.7618 k =-0.1136-0.0320 0.0256 ( 6139 PWs) bands (ev): -21.7348 -21.7348 -21.6905 -21.6905 -19.4135 -19.4135 -19.4021 -19.4021 -14.3118 -14.3118 -12.8764 -12.8764 -12.5056 -12.5056 -10.2446 -10.2446 -8.3420 -8.3420 -7.5422 -7.5422 -7.3536 -7.3536 -6.3288 -6.3288 -5.8828 -5.8828 -5.7030 -5.7030 -5.5852 -5.5852 -5.3796 -5.3796 -4.4086 -4.4086 -4.1486 -4.1486 -4.1055 -4.1055 -3.8015 -3.8015 -3.6858 -3.6858 -2.7251 -2.7251 -2.4266 -2.4266 -1.3848 -1.3848 -1.2238 -1.2238 -1.0519 -1.0519 -0.4087 -0.4087 -0.2936 -0.2936 3.2293 3.2293 5.8828 5.8828 6.6192 6.6192 7.1238 7.1238 7.3804 7.3804 7.7971 7.7971 k =-0.1250-0.0352 0.0282 ( 6141 PWs) bands (ev): -21.7333 -21.7333 -21.6894 -21.6894 -19.4139 -19.4139 -19.4025 -19.4025 -14.3098 -14.3098 -12.8745 -12.8745 -12.5018 -12.5018 -10.2428 -10.2428 -8.3442 -8.3442 -7.5481 -7.5481 -7.3533 -7.3533 -6.3214 -6.3214 -5.8976 -5.8976 -5.7182 -5.7182 -5.5885 -5.5885 -5.3701 -5.3701 -4.4099 -4.4099 -4.1624 -4.1624 -4.1201 -4.1201 -3.8102 -3.8102 -3.6947 -3.6947 -2.7253 -2.7253 -2.4152 -2.4152 -1.3819 -1.3819 -1.2199 -1.2199 -1.0518 -1.0518 -0.4122 -0.4122 -0.2922 -0.2922 3.2362 3.2362 5.8868 5.8868 6.6532 6.6532 7.1334 7.1334 7.3848 7.3848 7.8334 7.8334 k =-0.1364-0.0383 0.0307 ( 6140 PWs) bands (ev): -21.7318 -21.7318 -21.6883 -21.6883 -19.4143 -19.4143 -19.4030 -19.4030 -14.3076 -14.3076 -12.8725 -12.8725 -12.4977 -12.4977 -10.2408 -10.2408 -8.3465 -8.3465 -7.5546 -7.5546 -7.3530 -7.3530 -6.3135 -6.3135 -5.9136 -5.9136 -5.7337 -5.7337 -5.5915 -5.5915 -5.3608 -5.3608 -4.4115 -4.4115 -4.1773 -4.1773 -4.1354 -4.1354 -3.8194 -3.8194 -3.7040 -3.7040 -2.7253 -2.7253 -2.4035 -2.4035 -1.3789 -1.3789 -1.2172 -1.2172 -1.0503 -1.0503 -0.4158 -0.4158 -0.2910 -0.2910 3.2432 3.2432 5.8914 5.8914 6.6893 6.6893 7.1444 7.1444 7.3916 7.3916 7.8704 7.8704 k =-0.1477-0.0415 0.0333 ( 6145 PWs) bands (ev): -21.7301 -21.7301 -21.6871 -21.6871 -19.4147 -19.4147 -19.4034 -19.4034 -14.3054 -14.3054 -12.8703 -12.8703 -12.4933 -12.4933 -10.2388 -10.2388 -8.3489 -8.3489 -7.5615 -7.5615 -7.3525 -7.3525 -6.3052 -6.3052 -5.9306 -5.9306 -5.7494 -5.7494 -5.5944 -5.5944 -5.3518 -5.3518 -4.4135 -4.4135 -4.1933 -4.1933 -4.1511 -4.1511 -3.8292 -3.8292 -3.7136 -3.7136 -2.7248 -2.7248 -2.3916 -2.3916 -1.3758 -1.3758 -1.2160 -1.2160 -1.0472 -1.0472 -0.4194 -0.4194 -0.2899 -0.2899 3.2505 3.2505 5.8968 5.8968 6.7272 6.7272 7.1567 7.1567 7.4008 7.4008 7.9081 7.9081 k =-0.1591-0.0447 0.0359 ( 6150 PWs) bands (ev): -21.7284 -21.7284 -21.6859 -21.6859 -19.4152 -19.4152 -19.4039 -19.4039 -14.3029 -14.3029 -12.8680 -12.8680 -12.4887 -12.4887 -10.2366 -10.2366 -8.3513 -8.3513 -7.5690 -7.5690 -7.3519 -7.3519 -6.2965 -6.2965 -5.9485 -5.9485 -5.7654 -5.7654 -5.5970 -5.5970 -5.3431 -5.3431 -4.4160 -4.4160 -4.2104 -4.2104 -4.1671 -4.1671 -3.8394 -3.8394 -3.7235 -3.7235 -2.7240 -2.7240 -2.3796 -2.3796 -1.3727 -1.3727 -1.2164 -1.2164 -1.0423 -1.0423 -0.4230 -0.4230 -0.2892 -0.2892 3.2579 3.2579 5.9029 5.9029 6.7668 6.7668 7.1705 7.1705 7.4124 7.4124 7.9462 7.9462 k =-0.1705-0.0479 0.0384 ( 6150 PWs) bands (ev): -21.7265 -21.7265 -21.6846 -21.6846 -19.4157 -19.4157 -19.4044 -19.4044 -14.3004 -14.3004 -12.8656 -12.8656 -12.4839 -12.4839 -10.2343 -10.2343 -8.3538 -8.3538 -7.5769 -7.5769 -7.3513 -7.3513 -6.2877 -6.2877 -5.9672 -5.9672 -5.7815 -5.7815 -5.5993 -5.5993 -5.3348 -5.3348 -4.4189 -4.4189 -4.2285 -4.2285 -4.1832 -4.1832 -3.8501 -3.8501 -3.7335 -3.7335 -2.7227 -2.7227 -2.3677 -2.3677 -1.3697 -1.3697 -1.2183 -1.2183 -1.0357 -1.0357 -0.4266 -0.4266 -0.2886 -0.2886 3.2653 3.2653 5.9096 5.9096 6.8077 6.8077 7.1859 7.1859 7.4263 7.4263 7.9846 7.9846 k =-0.1818-0.0511 0.0410 ( 6149 PWs) bands (ev): -21.7246 -21.7246 -21.6832 -21.6832 -19.4162 -19.4162 -19.4050 -19.4050 -14.2978 -14.2978 -12.8631 -12.8631 -12.4788 -12.4788 -10.2319 -10.2319 -8.3563 -8.3563 -7.5852 -7.5852 -7.3505 -7.3505 -6.2786 -6.2786 -5.9865 -5.9865 -5.7976 -5.7976 -5.6013 -5.6013 -5.3269 -5.3269 -4.4225 -4.4225 -4.2476 -4.2476 -4.1992 -4.1992 -3.8610 -3.8610 -3.7436 -3.7436 -2.7209 -2.7209 -2.3561 -2.3561 -1.3668 -1.3668 -1.2216 -1.2216 -1.0275 -1.0275 -0.4302 -0.4302 -0.2884 -0.2884 3.2727 3.2727 5.9169 5.9169 6.8495 6.8495 7.2032 7.2032 7.4426 7.4426 8.0232 8.0232 k =-0.1932-0.0543 0.0435 ( 6143 PWs) bands (ev): -21.7227 -21.7227 -21.6818 -21.6818 -19.4167 -19.4167 -19.4055 -19.4055 -14.2951 -14.2951 -12.8605 -12.8605 -12.4736 -12.4736 -10.2294 -10.2294 -8.3588 -8.3588 -7.5938 -7.5938 -7.3496 -7.3496 -6.2695 -6.2695 -6.0061 -6.0061 -5.8138 -5.8138 -5.6030 -5.6030 -5.3194 -5.3194 -4.4267 -4.4267 -4.2674 -4.2674 -4.2150 -4.2150 -3.8723 -3.8723 -3.7537 -3.7537 -2.7185 -2.7185 -2.3447 -2.3447 -1.3640 -1.3640 -1.2261 -1.2261 -1.0180 -1.0180 -0.4338 -0.4338 -0.2884 -0.2884 3.2800 3.2800 5.9248 5.9248 6.8918 6.8918 7.2224 7.2224 7.4611 7.4611 8.0619 8.0619 k =-0.2045-0.0575 0.0461 ( 6145 PWs) bands (ev): -21.7206 -21.7206 -21.6803 -21.6803 -19.4173 -19.4173 -19.4061 -19.4061 -14.2923 -14.2923 -12.8578 -12.8578 -12.4683 -12.4683 -10.2269 -10.2269 -8.3613 -8.3613 -7.6028 -7.6028 -7.3487 -7.3487 -6.2605 -6.2605 -6.0261 -6.0261 -5.8299 -5.8299 -5.6043 -5.6043 -5.3123 -5.3123 -4.4316 -4.4316 -4.2879 -4.2879 -4.2306 -4.2306 -3.8837 -3.8837 -3.7638 -3.7638 -2.7156 -2.7156 -2.3338 -2.3338 -1.3615 -1.3615 -1.2315 -1.2315 -1.0073 -1.0073 -0.4373 -0.4373 -0.2888 -0.2888 3.2871 3.2871 5.9332 5.9332 6.9341 6.9341 7.2439 7.2439 7.4819 7.4819 8.1005 8.1005 k =-0.2159-0.0607 0.0487 ( 6149 PWs) bands (ev): -21.7186 -21.7186 -21.6789 -21.6789 -19.4178 -19.4178 -19.4067 -19.4067 -14.2894 -14.2894 -12.8551 -12.8551 -12.4628 -12.4628 -10.2243 -10.2243 -8.3638 -8.3638 -7.6121 -7.6121 -7.3477 -7.3477 -6.2517 -6.2517 -6.0460 -6.0460 -5.8460 -5.8460 -5.6053 -5.6053 -5.3056 -5.3056 -4.4374 -4.4374 -4.3090 -4.3090 -4.2457 -4.2457 -3.8952 -3.8952 -3.7738 -3.7738 -2.7120 -2.7120 -2.3234 -2.3234 -1.3594 -1.3594 -1.2376 -1.2376 -0.9959 -0.9959 -0.4407 -0.4407 -0.2894 -0.2894 3.2940 3.2940 5.9420 5.9420 6.9760 6.9760 7.2679 7.2679 7.5048 7.5048 8.1389 8.1389 k =-0.2273-0.0639 0.0512 ( 6151 PWs) bands (ev): -21.7165 -21.7165 -21.6773 -21.6773 -19.4184 -19.4184 -19.4073 -19.4073 -14.2866 -14.2866 -12.8523 -12.8523 -12.4572 -12.4572 -10.2216 -10.2216 -8.3662 -8.3662 -7.6217 -7.6217 -7.3466 -7.3466 -6.2433 -6.2433 -6.0657 -6.0657 -5.8620 -5.8620 -5.6059 -5.6059 -5.2993 -5.2993 -4.4440 -4.4440 -4.3305 -4.3305 -4.2603 -4.2603 -3.9067 -3.9067 -3.7836 -3.7836 -2.7077 -2.7077 -2.3136 -2.3136 -1.3576 -1.3576 -1.2441 -1.2441 -0.9838 -0.9838 -0.4439 -0.4439 -0.2904 -0.2904 3.3006 3.3006 5.9512 5.9512 7.0167 7.0167 7.2950 7.2950 7.5298 7.5298 8.1771 8.1771 k =-0.2386-0.0671 0.0538 ( 6150 PWs) bands (ev): -21.7143 -21.7143 -21.6758 -21.6758 -19.4189 -19.4189 -19.4079 -19.4079 -14.2836 -14.2836 -12.8495 -12.8495 -12.4515 -12.4515 -10.2189 -10.2189 -8.3685 -8.3685 -7.6314 -7.6314 -7.3455 -7.3455 -6.2357 -6.2357 -6.0847 -6.0847 -5.8777 -5.8777 -5.6061 -5.6061 -5.2935 -5.2935 -4.4515 -4.4515 -4.3523 -4.3523 -4.2742 -4.2742 -3.9182 -3.9182 -3.7933 -3.7933 -2.7028 -2.7028 -2.3045 -2.3045 -1.3562 -1.3562 -1.2507 -1.2507 -0.9714 -0.9714 -0.4471 -0.4471 -0.2916 -0.2916 3.3070 3.3070 5.9607 5.9607 7.0557 7.0557 7.3252 7.3252 7.5569 7.5569 8.2149 8.2149 k =-0.2500-0.0703 0.0564 ( 6156 PWs) bands (ev): -21.7122 -21.7122 -21.6743 -21.6743 -19.4195 -19.4195 -19.4086 -19.4086 -14.2807 -14.2807 -12.8466 -12.8466 -12.4459 -12.4459 -10.2162 -10.2162 -8.3707 -8.3707 -7.6413 -7.6413 -7.3443 -7.3443 -6.2293 -6.2293 -6.1026 -6.1026 -5.8933 -5.8933 -5.6058 -5.6058 -5.2880 -5.2880 -4.4599 -4.4599 -4.3743 -4.3743 -4.2874 -4.2874 -3.9295 -3.9295 -3.8027 -3.8027 -2.6971 -2.6971 -2.2962 -2.2962 -1.3554 -1.3554 -1.2573 -1.2573 -0.9587 -0.9587 -0.4501 -0.4501 -0.2932 -0.2932 3.3130 3.3130 5.9703 5.9703 7.0925 7.0925 7.3590 7.3590 7.5858 7.5858 8.2523 8.2523 k =-0.2614-0.0735 0.0589 ( 6158 PWs) bands (ev): -21.7100 -21.7100 -21.6728 -21.6728 -19.4201 -19.4201 -19.4092 -19.4092 -14.2777 -14.2777 -12.8438 -12.8438 -12.4402 -12.4402 -10.2135 -10.2135 -8.3728 -8.3728 -7.6513 -7.6513 -7.3431 -7.3431 -6.2249 -6.2249 -6.1184 -6.1184 -5.9086 -5.9086 -5.6052 -5.6052 -5.2830 -5.2830 -4.4692 -4.4692 -4.3964 -4.3964 -4.2999 -4.2999 -3.9407 -3.9407 -3.8118 -3.8118 -2.6908 -2.6908 -2.2887 -2.2887 -1.3552 -1.3552 -1.2636 -1.2636 -0.9460 -0.9460 -0.4528 -0.4528 -0.2951 -0.2951 3.3186 3.3186 5.9801 5.9801 7.1267 7.1267 7.3962 7.3962 7.6166 7.6166 8.2892 8.2892 k =-0.2727-0.0767 0.0615 ( 6154 PWs) bands (ev): -21.7079 -21.7079 -21.6712 -21.6712 -19.4206 -19.4206 -19.4099 -19.4099 -14.2748 -14.2748 -12.8409 -12.8409 -12.4345 -12.4345 -10.2108 -10.2108 -8.3747 -8.3747 -7.6614 -7.6614 -7.3419 -7.3419 -6.2237 -6.2237 -6.1309 -6.1309 -5.9235 -5.9235 -5.6041 -5.6041 -5.2783 -5.2783 -4.4793 -4.4793 -4.4185 -4.4185 -4.3115 -4.3115 -3.9516 -3.9516 -3.8206 -3.8206 -2.6837 -2.6837 -2.2821 -2.2821 -1.3557 -1.3557 -1.2695 -1.2695 -0.9333 -0.9333 -0.4554 -0.4554 -0.2973 -0.2973 3.3239 3.3239 5.9899 5.9899 7.1583 7.1583 7.4367 7.4367 7.6492 7.6492 8.3255 8.3255 k =-0.2841-0.0799 0.0640 ( 6165 PWs) bands (ev): -21.7057 -21.7057 -21.6697 -21.6697 -19.4212 -19.4212 -19.4105 -19.4105 -14.2719 -14.2719 -12.8381 -12.8381 -12.4289 -12.4289 -10.2082 -10.2082 -8.3766 -8.3766 -7.6714 -7.6714 -7.3407 -7.3407 -6.2270 -6.2270 -6.1389 -6.1389 -5.9381 -5.9381 -5.6026 -5.6026 -5.2740 -5.2740 -4.4901 -4.4901 -4.4404 -4.4404 -4.3224 -4.3224 -3.9623 -3.9623 -3.8290 -3.8290 -2.6759 -2.6759 -2.2765 -2.2765 -1.3568 -1.3568 -1.2748 -1.2748 -0.9208 -0.9208 -0.4577 -0.4577 -0.2999 -0.2999 3.3288 3.3288 5.9997 5.9997 7.1872 7.1872 7.4800 7.4800 7.6834 7.6834 8.3611 8.3611 k =-0.2955-0.0831 0.0666 ( 6169 PWs) bands (ev): -21.7037 -21.7037 -21.6682 -21.6682 -19.4217 -19.4217 -19.4111 -19.4111 -14.2690 -14.2690 -12.8353 -12.8353 -12.4234 -12.4234 -10.2055 -10.2055 -8.3783 -8.3783 -7.6814 -7.6814 -7.3395 -7.3395 -6.2350 -6.2350 -6.1420 -6.1420 -5.9522 -5.9522 -5.6006 -5.6006 -5.2702 -5.2702 -4.5015 -4.5015 -4.4621 -4.4621 -4.3326 -4.3326 -3.9726 -3.9726 -3.8371 -3.8371 -2.6675 -2.6675 -2.2719 -2.2719 -1.3587 -1.3587 -1.2795 -1.2795 -0.9085 -0.9085 -0.4597 -0.4597 -0.3027 -0.3027 3.3333 3.3333 6.0093 6.0093 7.2138 7.2138 7.5255 7.5255 7.7191 7.7191 8.3959 8.3959 k =-0.3068-0.0863 0.0692 ( 6169 PWs) bands (ev): -21.7016 -21.7016 -21.6668 -21.6668 -19.4222 -19.4222 -19.4118 -19.4118 -14.2662 -14.2662 -12.8326 -12.8326 -12.4180 -12.4180 -10.2029 -10.2029 -8.3798 -8.3798 -7.6913 -7.6913 -7.3383 -7.3383 -6.2467 -6.2467 -6.1412 -6.1412 -5.9659 -5.9659 -5.5982 -5.5982 -5.2667 -5.2667 -4.5133 -4.5133 -4.4835 -4.4835 -4.3420 -4.3420 -3.9826 -3.9826 -3.8448 -3.8448 -2.6583 -2.6583 -2.2683 -2.2683 -1.3612 -1.3612 -1.2836 -1.2836 -0.8966 -0.8966 -0.4614 -0.4614 -0.3059 -0.3059 3.3374 3.3374 6.0187 6.0187 7.2383 7.2383 7.5725 7.5725 7.7562 7.7562 8.4298 8.4298 k =-0.3182-0.0895 0.0717 ( 6172 PWs) bands (ev): -21.6996 -21.6996 -21.6653 -21.6653 -19.4227 -19.4227 -19.4124 -19.4124 -14.2635 -14.2635 -12.8299 -12.8299 -12.4127 -12.4127 -10.2004 -10.2004 -8.3812 -8.3812 -7.7010 -7.7010 -7.3372 -7.3372 -6.2606 -6.2606 -6.1380 -6.1380 -5.9789 -5.9789 -5.5954 -5.5954 -5.2635 -5.2635 -4.5254 -4.5254 -4.5044 -4.5044 -4.3509 -4.3509 -3.9921 -3.9921 -3.8521 -3.8521 -2.6486 -2.6486 -2.2657 -2.2657 -1.3643 -1.3643 -1.2870 -1.2870 -0.8851 -0.8851 -0.4628 -0.4628 -0.3093 -0.3093 3.3411 3.3411 6.0278 6.0278 7.2609 7.2609 7.6205 7.6205 7.7946 7.7946 8.4627 8.4627 k =-0.3295-0.0927 0.0743 ( 6169 PWs) bands (ev): -21.6977 -21.6977 -21.6639 -21.6639 -19.4232 -19.4232 -19.4130 -19.4130 -14.2608 -14.2608 -12.8273 -12.8273 -12.4075 -12.4075 -10.1980 -10.1980 -8.3824 -8.3824 -7.7105 -7.7105 -7.3361 -7.3361 -6.2754 -6.2754 -6.1336 -6.1336 -5.9914 -5.9914 -5.5922 -5.5922 -5.2607 -5.2607 -4.5378 -4.5378 -4.5245 -4.5245 -4.3591 -4.3591 -4.0012 -4.0012 -3.8589 -3.8589 -2.6383 -2.6383 -2.2641 -2.2641 -1.3679 -1.3679 -1.2899 -1.2899 -0.8741 -0.8741 -0.4639 -0.4639 -0.3129 -0.3129 3.3445 3.3445 6.0366 6.0366 7.2819 7.2819 7.6687 7.6687 7.8339 7.8339 8.4945 8.4945 k =-0.3409-0.0959 0.0768 ( 6164 PWs) bands (ev): -21.6958 -21.6958 -21.6626 -21.6626 -19.4237 -19.4237 -19.4136 -19.4136 -14.2582 -14.2582 -12.8248 -12.8248 -12.4026 -12.4026 -10.1956 -10.1956 -8.3835 -8.3835 -7.7198 -7.7198 -7.3350 -7.3350 -6.2904 -6.2904 -6.1287 -6.1287 -6.0031 -6.0031 -5.5887 -5.5887 -5.2583 -5.2583 -4.5510 -4.5510 -4.5431 -4.5431 -4.3669 -4.3669 -4.0099 -4.0099 -3.8653 -3.8653 -2.6274 -2.6274 -2.2635 -2.2635 -1.3717 -1.3717 -1.2923 -1.2923 -0.8636 -0.8636 -0.4646 -0.4646 -0.3169 -0.3169 3.3475 3.3475 6.0451 6.0451 7.3014 7.3014 7.7168 7.7168 7.8740 7.8740 8.5250 8.5250 k =-0.3523-0.0991 0.0794 ( 6162 PWs) bands (ev): -21.6940 -21.6940 -21.6613 -21.6613 -19.4241 -19.4241 -19.4142 -19.4142 -14.2558 -14.2558 -12.8224 -12.8224 -12.3978 -12.3978 -10.1933 -10.1933 -8.3844 -8.3844 -7.7287 -7.7287 -7.3339 -7.3339 -6.3052 -6.3052 -6.1237 -6.1237 -6.0141 -6.0141 -5.5848 -5.5848 -5.2561 -5.2561 -4.5669 -4.5669 -4.5581 -4.5581 -4.3742 -4.3742 -4.0180 -4.0180 -3.8712 -3.8712 -2.6161 -2.6161 -2.2639 -2.2639 -1.3758 -1.3758 -1.2943 -1.2943 -0.8537 -0.8537 -0.4649 -0.4649 -0.3210 -0.3210 3.3502 3.3502 6.0531 6.0531 7.3195 7.3195 7.7643 7.7643 7.9145 7.9145 8.5541 8.5541 k =-0.3636-0.1023 0.0820 ( 6166 PWs) bands (ev): -21.6923 -21.6923 -21.6601 -21.6601 -19.4246 -19.4246 -19.4147 -19.4147 -14.2535 -14.2535 -12.8201 -12.8201 -12.3934 -12.3934 -10.1912 -10.1912 -8.3852 -8.3852 -7.7372 -7.7372 -7.3330 -7.3330 -6.3195 -6.3195 -6.1190 -6.1190 -6.0243 -6.0243 -5.5806 -5.5806 -5.2544 -5.2544 -4.5843 -4.5843 -4.5702 -4.5702 -4.3810 -4.3810 -4.0256 -4.0256 -3.8767 -3.8767 -2.6045 -2.6045 -2.2653 -2.2653 -1.3799 -1.3799 -1.2959 -1.2959 -0.8444 -0.8444 -0.4648 -0.4648 -0.3253 -0.3253 3.3526 3.3526 6.0606 6.0606 7.3362 7.3362 7.8108 7.8108 7.9549 7.9549 8.5817 8.5817 k =-0.3750-0.1055 0.0845 ( 6164 PWs) bands (ev): -21.6907 -21.6907 -21.6590 -21.6590 -19.4249 -19.4249 -19.4152 -19.4152 -14.2513 -14.2513 -12.8179 -12.8179 -12.3891 -12.3891 -10.1892 -10.1892 -8.3859 -8.3859 -7.7453 -7.7453 -7.3321 -7.3321 -6.3331 -6.3331 -6.1147 -6.1147 -6.0336 -6.0336 -5.5763 -5.5763 -5.2529 -5.2529 -4.6015 -4.6015 -4.5812 -4.5812 -4.3873 -4.3873 -4.0327 -4.0327 -3.8817 -3.8817 -2.5926 -2.5926 -2.2675 -2.2675 -1.3839 -1.3839 -1.2973 -1.2973 -0.8358 -0.8358 -0.4644 -0.4644 -0.3297 -0.3297 3.3547 3.3547 6.0676 6.0676 7.3517 7.3517 7.8561 7.8561 7.9949 7.9949 8.6077 8.6077 k =-0.3864-0.1086 0.0871 ( 6161 PWs) bands (ev): -21.6892 -21.6892 -21.6579 -21.6579 -19.4253 -19.4253 -19.4157 -19.4157 -14.2493 -14.2493 -12.8159 -12.8159 -12.3852 -12.3852 -10.1873 -10.1873 -8.3864 -8.3864 -7.7529 -7.7529 -7.3312 -7.3312 -6.3457 -6.3457 -6.1110 -6.1110 -6.0419 -6.0419 -5.5718 -5.5718 -5.2516 -5.2516 -4.6178 -4.6178 -4.5914 -4.5914 -4.3932 -4.3932 -4.0393 -4.0393 -3.8863 -3.8863 -2.5805 -2.5805 -2.2706 -2.2706 -1.3878 -1.3878 -1.2986 -1.2986 -0.8278 -0.8278 -0.4637 -0.4637 -0.3343 -0.3343 3.3565 3.3565 6.0741 6.0741 7.3659 7.3659 7.9000 7.9000 8.0336 8.0336 8.6320 8.6320 k =-0.3977-0.1118 0.0897 ( 6166 PWs) bands (ev): -21.6878 -21.6878 -21.6570 -21.6570 -19.4256 -19.4256 -19.4161 -19.4161 -14.2474 -14.2474 -12.8141 -12.8141 -12.3815 -12.3815 -10.1856 -10.1856 -8.3868 -8.3868 -7.7599 -7.7599 -7.3304 -7.3304 -6.3575 -6.3575 -6.1080 -6.1080 -6.0490 -6.0490 -5.5672 -5.5672 -5.2507 -5.2507 -4.6330 -4.6330 -4.6008 -4.6008 -4.3986 -4.3986 -4.0452 -4.0452 -3.8904 -3.8904 -2.5685 -2.5685 -2.2744 -2.2744 -1.3914 -1.3914 -1.2996 -1.2996 -0.8205 -0.8205 -0.4626 -0.4626 -0.3388 -0.3388 3.3581 3.3581 6.0800 6.0800 7.3787 7.3787 7.9423 7.9423 8.0706 8.0706 8.6546 8.6546 k =-0.4091-0.1150 0.0922 ( 6163 PWs) bands (ev): -21.6866 -21.6866 -21.6561 -21.6561 -19.4259 -19.4259 -19.4166 -19.4166 -14.2457 -14.2457 -12.8124 -12.8124 -12.3782 -12.3782 -10.1840 -10.1840 -8.3871 -8.3871 -7.7664 -7.7664 -7.3297 -7.3297 -6.3681 -6.3681 -6.1059 -6.1059 -6.0549 -6.0549 -5.5628 -5.5628 -5.2500 -5.2500 -4.6470 -4.6470 -4.6094 -4.6094 -4.4035 -4.4035 -4.0506 -4.0506 -3.8941 -3.8941 -2.5566 -2.5566 -2.2788 -2.2788 -1.3948 -1.3948 -1.3006 -1.3006 -0.8140 -0.8140 -0.4613 -0.4613 -0.3433 -0.3433 3.3595 3.3595 6.0853 6.0853 7.3903 7.3903 7.9828 7.9828 8.1050 8.1050 8.6757 8.6757 k =-0.4205-0.1182 0.0948 ( 6158 PWs) bands (ev): -21.6855 -21.6855 -21.6553 -21.6553 -19.4262 -19.4262 -19.4169 -19.4169 -14.2442 -14.2442 -12.8109 -12.8109 -12.3753 -12.3753 -10.1826 -10.1826 -8.3874 -8.3874 -7.7722 -7.7722 -7.3291 -7.3291 -6.3776 -6.3776 -6.1046 -6.1046 -6.0595 -6.0595 -5.5584 -5.5584 -5.2495 -5.2495 -4.6597 -4.6597 -4.6171 -4.6171 -4.4079 -4.4079 -4.0554 -4.0554 -3.8973 -3.8973 -2.5451 -2.5451 -2.2836 -2.2836 -1.3979 -1.3979 -1.3014 -1.3014 -0.8082 -0.8082 -0.4598 -0.4598 -0.3477 -0.3477 3.3606 3.3606 6.0901 6.0901 7.4006 7.4006 8.0212 8.0212 8.1360 8.1360 8.6956 8.6956 k =-0.4318-0.1214 0.0973 ( 6154 PWs) bands (ev): -21.6845 -21.6845 -21.6546 -21.6546 -19.4264 -19.4264 -19.4173 -19.4173 -14.2428 -14.2428 -12.8095 -12.8095 -12.3727 -12.3727 -10.1813 -10.1813 -8.3876 -8.3876 -7.7774 -7.7774 -7.3285 -7.3285 -6.3860 -6.3860 -6.1043 -6.1043 -6.0628 -6.0628 -5.5544 -5.5544 -5.2492 -5.2492 -4.6709 -4.6709 -4.6238 -4.6238 -4.4118 -4.4118 -4.0596 -4.0596 -3.9001 -3.9001 -2.5342 -2.5342 -2.2887 -2.2887 -1.4006 -1.4006 -1.3021 -1.3021 -0.8031 -0.8031 -0.4581 -0.4581 -0.3519 -0.3519 3.3615 3.3615 6.0942 6.0942 7.4095 7.4095 8.0574 8.0574 8.1630 8.1630 8.7146 8.7146 k =-0.4432-0.1246 0.0999 ( 6159 PWs) bands (ev): -21.6837 -21.6837 -21.6540 -21.6540 -19.4266 -19.4266 -19.4175 -19.4175 -14.2417 -14.2417 -12.8084 -12.8084 -12.3704 -12.3704 -10.1803 -10.1803 -8.3877 -8.3877 -7.7818 -7.7818 -7.3281 -7.3281 -6.3932 -6.3932 -6.1048 -6.1048 -6.0649 -6.0649 -5.5507 -5.5507 -5.2490 -5.2490 -4.6805 -4.6805 -4.6296 -4.6296 -4.4152 -4.4152 -4.0631 -4.0631 -3.9024 -3.9024 -2.5241 -2.5241 -2.2938 -2.2938 -1.4029 -1.4029 -1.3027 -1.3027 -0.7989 -0.7989 -0.4564 -0.4564 -0.3558 -0.3558 3.3623 3.3623 6.0977 6.0977 7.4171 7.4171 8.0909 8.0909 8.1851 8.1851 8.7333 8.7333 k =-0.4545-0.1278 0.1025 ( 6159 PWs) bands (ev): -21.6830 -21.6830 -21.6535 -21.6535 -19.4268 -19.4268 -19.4178 -19.4178 -14.2408 -14.2408 -12.8075 -12.8075 -12.3686 -12.3686 -10.1794 -10.1794 -8.3878 -8.3878 -7.7855 -7.7855 -7.3277 -7.3277 -6.3990 -6.3990 -6.1057 -6.1057 -6.0661 -6.0661 -5.5476 -5.5476 -5.2489 -5.2489 -4.6885 -4.6885 -4.6344 -4.6344 -4.4180 -4.4180 -4.0660 -4.0660 -3.9043 -3.9043 -2.5151 -2.5151 -2.2986 -2.2986 -1.4048 -1.4048 -1.3032 -1.3032 -0.7954 -0.7954 -0.4547 -0.4547 -0.3592 -0.3592 3.3629 3.3629 6.1005 6.1005 7.4234 7.4234 8.1213 8.1213 8.2017 8.2017 8.7520 8.7520 k =-0.4659-0.1310 0.1050 ( 6152 PWs) bands (ev): -21.6824 -21.6824 -21.6531 -21.6531 -19.4269 -19.4269 -19.4180 -19.4180 -14.2400 -14.2400 -12.8067 -12.8067 -12.3672 -12.3672 -10.1787 -10.1787 -8.3878 -8.3878 -7.7883 -7.7883 -7.3274 -7.3274 -6.4036 -6.4036 -6.1067 -6.1067 -6.0667 -6.0667 -5.5450 -5.5450 -5.2489 -5.2489 -4.6948 -4.6948 -4.6382 -4.6382 -4.4201 -4.4201 -4.0683 -4.0683 -3.9058 -3.9058 -2.5076 -2.5076 -2.3029 -2.3029 -1.4063 -1.4063 -1.3036 -1.3036 -0.7926 -0.7926 -0.4532 -0.4532 -0.3621 -0.3621 3.3634 3.3634 6.1028 6.1028 7.4282 7.4282 8.1483 8.1483 8.2125 8.2125 8.7710 8.7710 k =-0.4773-0.1342 0.1076 ( 6152 PWs) bands (ev): -21.6820 -21.6820 -21.6528 -21.6528 -19.4270 -19.4270 -19.4181 -19.4181 -14.2395 -14.2395 -12.8062 -12.8062 -12.3661 -12.3661 -10.1782 -10.1782 -8.3879 -8.3879 -7.7904 -7.7904 -7.3272 -7.3272 -6.4070 -6.4070 -6.1077 -6.1077 -6.0670 -6.0670 -5.5431 -5.5431 -5.2489 -5.2489 -4.6994 -4.6994 -4.6409 -4.6409 -4.4217 -4.4217 -4.0699 -4.0699 -3.9068 -3.9068 -2.5019 -2.5019 -2.3062 -2.3062 -1.4074 -1.4074 -1.3039 -1.3039 -0.7907 -0.7907 -0.4521 -0.4521 -0.3643 -0.3643 3.3637 3.3637 6.1044 6.1044 7.4317 7.4317 8.1709 8.1709 8.2172 8.2172 8.7902 8.7902 k =-0.4886-0.1374 0.1101 ( 6152 PWs) bands (ev): -21.6818 -21.6818 -21.6526 -21.6526 -19.4271 -19.4271 -19.4182 -19.4182 -14.2392 -14.2392 -12.8059 -12.8059 -12.3655 -12.3655 -10.1779 -10.1779 -8.3879 -8.3879 -7.7917 -7.7917 -7.3271 -7.3271 -6.4089 -6.4089 -6.1083 -6.1083 -6.0670 -6.0670 -5.5419 -5.5419 -5.2489 -5.2489 -4.7022 -4.7022 -4.6425 -4.6425 -4.4226 -4.4226 -4.0709 -4.0709 -3.9075 -3.9075 -2.4983 -2.4983 -2.3084 -2.3084 -1.4080 -1.4080 -1.3041 -1.3041 -0.7895 -0.7895 -0.4513 -0.4513 -0.3656 -0.3656 3.3639 3.3639 6.1053 6.1053 7.4338 7.4338 8.1882 8.1882 8.2166 8.2166 8.8078 8.8078 k =-0.5000-0.1406 0.1127 ( 6154 PWs) bands (ev): -21.6817 -21.6817 -21.6526 -21.6526 -19.4271 -19.4271 -19.4182 -19.4182 -14.2391 -14.2391 -12.8058 -12.8058 -12.3653 -12.3653 -10.1778 -10.1778 -8.3879 -8.3879 -7.7921 -7.7921 -7.3270 -7.3270 -6.4096 -6.4096 -6.1085 -6.1085 -6.0671 -6.0671 -5.5415 -5.5415 -5.2489 -5.2489 -4.7031 -4.7031 -4.6431 -4.6431 -4.4229 -4.4229 -4.0712 -4.0712 -3.9077 -3.9077 -2.4971 -2.4971 -2.3091 -2.3091 -1.4083 -1.4083 -1.3042 -1.3042 -0.7891 -0.7891 -0.4510 -0.4510 -0.3661 -0.3661 3.3640 3.3640 6.1056 6.1056 7.4345 7.4345 8.1961 8.1961 8.2143 8.2143 8.8167 8.8167 k =-0.5000-0.4966 0.0209 ( 6172 PWs) bands (ev): -21.6714 -21.6714 -21.6674 -21.6674 -19.4172 -19.4172 -19.4120 -19.4120 -14.2821 -14.2821 -12.8124 -12.8124 -12.3228 -12.3228 -10.2065 -10.2065 -8.3414 -8.3414 -7.6304 -7.6304 -7.4660 -7.4660 -6.5264 -6.5264 -6.4711 -6.4711 -5.9641 -5.9641 -5.6080 -5.6080 -5.4817 -5.4817 -4.4979 -4.4979 -4.2851 -4.2851 -4.1580 -4.1580 -4.0398 -4.0398 -3.6556 -3.6556 -2.7305 -2.7305 -2.4771 -2.4771 -1.4100 -1.4100 -1.0945 -1.0945 -1.0378 -1.0378 -0.3510 -0.3510 -0.3062 -0.3062 3.1319 3.1319 6.2047 6.2047 7.7305 7.7305 7.9953 7.9953 8.1016 8.1016 8.9303 8.9303 k =-0.4914-0.4881 0.0206 ( 6167 PWs) bands (ev): -21.6714 -21.6714 -21.6674 -21.6674 -19.4172 -19.4172 -19.4121 -19.4121 -14.2822 -14.2822 -12.8126 -12.8126 -12.3225 -12.3225 -10.2068 -10.2068 -8.3412 -8.3412 -7.6309 -7.6309 -7.4655 -7.4655 -6.5259 -6.5259 -6.4701 -6.4701 -5.9638 -5.9638 -5.6105 -5.6105 -5.4790 -5.4790 -4.4982 -4.4982 -4.2851 -4.2851 -4.1587 -4.1587 -4.0397 -4.0397 -3.6570 -3.6570 -2.7298 -2.7298 -2.4762 -2.4762 -1.4098 -1.4098 -1.0969 -1.0969 -1.0356 -1.0356 -0.3516 -0.3516 -0.3059 -0.3059 3.1320 3.1320 6.2046 6.2046 7.7268 7.7268 7.9976 7.9976 8.1016 8.1016 8.9305 8.9305 k =-0.4828-0.4795 0.0202 ( 6170 PWs) bands (ev): -21.6715 -21.6715 -21.6674 -21.6674 -19.4174 -19.4174 -19.4122 -19.4122 -14.2822 -14.2822 -12.8132 -12.8132 -12.3217 -12.3217 -10.2079 -10.2079 -8.3407 -8.3407 -7.6324 -7.6324 -7.4640 -7.4640 -6.5244 -6.5244 -6.4669 -6.4669 -5.9627 -5.9627 -5.6175 -5.6175 -5.4714 -5.4714 -4.4991 -4.4991 -4.2852 -4.2852 -4.1605 -4.1605 -4.0395 -4.0395 -3.6612 -3.6612 -2.7276 -2.7276 -2.4737 -2.4737 -1.4094 -1.4094 -1.1031 -1.1031 -1.0299 -1.0299 -0.3534 -0.3534 -0.3049 -0.3049 3.1325 3.1325 6.2044 6.2044 7.7161 7.7161 8.0035 8.0035 8.1018 8.1018 8.9308 8.9308 k =-0.4741-0.4709 0.0198 ( 6163 PWs) bands (ev): -21.6717 -21.6717 -21.6674 -21.6674 -19.4176 -19.4176 -19.4124 -19.4124 -14.2823 -14.2823 -12.8142 -12.8142 -12.3204 -12.3204 -10.2097 -10.2097 -8.3398 -8.3398 -7.6348 -7.6348 -7.4615 -7.4615 -6.5219 -6.5219 -6.4616 -6.4616 -5.9610 -5.9610 -5.6276 -5.6276 -5.4602 -5.4602 -4.5006 -4.5006 -4.2855 -4.2855 -4.1636 -4.1636 -4.0391 -4.0391 -3.6680 -3.6680 -2.7241 -2.7241 -2.4694 -2.4694 -1.4086 -1.4086 -1.1117 -1.1117 -1.0223 -1.0223 -0.3562 -0.3562 -0.3034 -0.3034 3.1332 3.1332 6.2041 6.2041 7.6998 7.6998 8.0107 8.0107 8.1036 8.1036 8.9314 8.9314 k =-0.4655-0.4624 0.0195 ( 6162 PWs) bands (ev): -21.6719 -21.6719 -21.6674 -21.6674 -19.4178 -19.4178 -19.4127 -19.4127 -14.2824 -14.2824 -12.8155 -12.8155 -12.3185 -12.3185 -10.2122 -10.2122 -8.3387 -8.3387 -7.6382 -7.6382 -7.4580 -7.4580 -6.5185 -6.5185 -6.4543 -6.4543 -5.9587 -5.9587 -5.6396 -5.6396 -5.4468 -5.4468 -4.5027 -4.5027 -4.2859 -4.2859 -4.1677 -4.1677 -4.0386 -4.0386 -3.6772 -3.6772 -2.7196 -2.7196 -2.4635 -2.4635 -1.4075 -1.4075 -1.1215 -1.1215 -1.0138 -1.0138 -0.3597 -0.3597 -0.3017 -0.3017 3.1342 3.1342 6.2036 6.2036 7.6790 7.6790 8.0161 8.0161 8.1086 8.1086 8.9321 8.9321 k =-0.4569-0.4538 0.0191 ( 6163 PWs) bands (ev): -21.6722 -21.6722 -21.6674 -21.6674 -19.4182 -19.4182 -19.4130 -19.4130 -14.2826 -14.2826 -12.8172 -12.8172 -12.3162 -12.3162 -10.2154 -10.2154 -8.3371 -8.3371 -7.6426 -7.6426 -7.4534 -7.4534 -6.5140 -6.5140 -6.4451 -6.4451 -5.9557 -5.9557 -5.6525 -5.6525 -5.4318 -5.4318 -4.5055 -4.5055 -4.2866 -4.2866 -4.1727 -4.1727 -4.0381 -4.0381 -3.6885 -3.6885 -2.7142 -2.7142 -2.4558 -2.4558 -1.4061 -1.4061 -1.1319 -1.1319 -1.0050 -1.0050 -0.3639 -0.3639 -0.2999 -0.2999 3.1354 3.1354 6.2030 6.2030 7.6550 7.6550 8.0171 8.0171 8.1187 8.1187 8.9330 8.9330 k =-0.4483-0.4452 0.0188 ( 6167 PWs) bands (ev): -21.6726 -21.6726 -21.6674 -21.6674 -19.4186 -19.4186 -19.4134 -19.4134 -14.2828 -14.2828 -12.8192 -12.8192 -12.3134 -12.3134 -10.2192 -10.2192 -8.3352 -8.3352 -7.6480 -7.6480 -7.4478 -7.4478 -6.5086 -6.5086 -6.4341 -6.4341 -5.9521 -5.9521 -5.6658 -5.6658 -5.4161 -5.4161 -4.5091 -4.5091 -4.2878 -4.2878 -4.1784 -4.1784 -4.0373 -4.0373 -3.7015 -3.7015 -2.7083 -2.7083 -2.4466 -2.4466 -1.4045 -1.4045 -1.1427 -1.1427 -0.9962 -0.9962 -0.3685 -0.3685 -0.2981 -0.2981 3.1370 3.1370 6.2022 6.2022 7.6287 7.6287 8.0127 8.0127 8.1337 8.1337 8.9339 8.9339 k =-0.4397-0.4367 0.0184 ( 6166 PWs) bands (ev): -21.6730 -21.6730 -21.6674 -21.6674 -19.4191 -19.4191 -19.4139 -19.4139 -14.2830 -14.2830 -12.8215 -12.8215 -12.3103 -12.3103 -10.2237 -10.2237 -8.3329 -8.3329 -7.6543 -7.6543 -7.4412 -7.4412 -6.5022 -6.5022 -6.4215 -6.4215 -5.9479 -5.9479 -5.6789 -5.6789 -5.3999 -5.3999 -4.5136 -4.5136 -4.2895 -4.2895 -4.1844 -4.1844 -4.0365 -4.0365 -3.7158 -3.7158 -2.7020 -2.7020 -2.4358 -2.4358 -1.4026 -1.4026 -1.1535 -1.1535 -0.9877 -0.9877 -0.3734 -0.3734 -0.2963 -0.2963 3.1388 3.1388 6.2012 6.2012 7.6006 7.6006 8.0038 8.0038 8.1524 8.1524 8.9348 8.9348 k =-0.4310-0.4281 0.0180 ( 6161 PWs) bands (ev): -21.6735 -21.6735 -21.6674 -21.6674 -19.4196 -19.4196 -19.4144 -19.4144 -14.2833 -14.2833 -12.8241 -12.8241 -12.3068 -12.3068 -10.2286 -10.2286 -8.3303 -8.3303 -7.6614 -7.6614 -7.4336 -7.4336 -6.4949 -6.4949 -6.4074 -6.4074 -5.9433 -5.9433 -5.6915 -5.6915 -5.3836 -5.3836 -4.5191 -4.5191 -4.2919 -4.2919 -4.1905 -4.1905 -4.0355 -4.0355 -3.7310 -3.7310 -2.6957 -2.6957 -2.4235 -2.4235 -1.4006 -1.4006 -1.1642 -1.1642 -0.9795 -0.9795 -0.3785 -0.3785 -0.2948 -0.2948 3.1408 3.1408 6.2001 6.2001 7.5713 7.5713 7.9916 7.9916 8.1733 8.1733 8.9357 8.9357 k =-0.4224-0.4196 0.0177 ( 6166 PWs) bands (ev): -21.6741 -21.6741 -21.6675 -21.6675 -19.4202 -19.4202 -19.4150 -19.4150 -14.2836 -14.2836 -12.8270 -12.8270 -12.3031 -12.3031 -10.2341 -10.2341 -8.3272 -8.3272 -7.6694 -7.6694 -7.4251 -7.4251 -6.4867 -6.4867 -6.3921 -6.3921 -5.9383 -5.9383 -5.7033 -5.7033 -5.3673 -5.3673 -4.5257 -4.5257 -4.2953 -4.2953 -4.1963 -4.1963 -4.0344 -4.0344 -3.7468 -3.7468 -2.6894 -2.6894 -2.4101 -2.4101 -1.3984 -1.3984 -1.1748 -1.1748 -0.9719 -0.9719 -0.3838 -0.3838 -0.2935 -0.2935 3.1431 3.1431 6.1988 6.1988 7.5410 7.5410 7.9769 7.9769 8.1954 8.1954 8.9363 8.9363 k =-0.4138-0.4110 0.0173 ( 6160 PWs) bands (ev): -21.6748 -21.6748 -21.6675 -21.6675 -19.4208 -19.4208 -19.4156 -19.4156 -14.2839 -14.2839 -12.8301 -12.8301 -12.2992 -12.2992 -10.2400 -10.2400 -8.3238 -8.3238 -7.6781 -7.6781 -7.4156 -7.4156 -6.4775 -6.4775 -6.3756 -6.3756 -5.9330 -5.9330 -5.7140 -5.7140 -5.3512 -5.3512 -4.5336 -4.5336 -4.2996 -4.2996 -4.2014 -4.2014 -4.0331 -4.0331 -3.7628 -3.7628 -2.6834 -2.6834 -2.3955 -2.3955 -1.3961 -1.3961 -1.1851 -1.1851 -0.9648 -0.9648 -0.3891 -0.3891 -0.2924 -0.2924 3.1456 3.1456 6.1972 6.1972 7.5102 7.5102 7.9602 7.9602 8.2178 8.2178 8.9365 8.9365 k =-0.4052-0.4024 0.0170 ( 6151 PWs) bands (ev): -21.6755 -21.6755 -21.6676 -21.6676 -19.4215 -19.4215 -19.4163 -19.4163 -14.2843 -14.2843 -12.8334 -12.8334 -12.2952 -12.2952 -10.2462 -10.2462 -8.3200 -8.3200 -7.6875 -7.6875 -7.4054 -7.4054 -6.4674 -6.4674 -6.3583 -6.3583 -5.9276 -5.9276 -5.7232 -5.7232 -5.3355 -5.3355 -4.5429 -4.5429 -4.3051 -4.3051 -4.2057 -4.2057 -4.0315 -4.0315 -3.7786 -3.7786 -2.6777 -2.6777 -2.3801 -2.3801 -1.3937 -1.3937 -1.1950 -1.1950 -0.9583 -0.9583 -0.3944 -0.3944 -0.2916 -0.2916 3.1484 3.1484 6.1955 6.1955 7.4788 7.4788 7.9420 7.9420 8.2400 8.2400 8.9359 8.9359 k =-0.3966-0.3939 0.0166 ( 6156 PWs) bands (ev): -21.6762 -21.6762 -21.6677 -21.6677 -19.4221 -19.4221 -19.4170 -19.4170 -14.2847 -14.2847 -12.8368 -12.8368 -12.2911 -12.2911 -10.2528 -10.2528 -8.3159 -8.3159 -7.6974 -7.6974 -7.3945 -7.3945 -6.4565 -6.4565 -6.3404 -6.3404 -5.9224 -5.9224 -5.7307 -5.7307 -5.3202 -5.3202 -4.5538 -4.5538 -4.3115 -4.3115 -4.2090 -4.2090 -4.0297 -4.0297 -3.7940 -3.7940 -2.6724 -2.6724 -2.3640 -2.3640 -1.3914 -1.3914 -1.2045 -1.2045 -0.9525 -0.9525 -0.3997 -0.3997 -0.2911 -0.2911 3.1513 3.1513 6.1935 6.1935 7.4472 7.4472 7.9226 7.9226 8.2615 8.2615 8.9303 8.9303 k =-0.3879-0.3853 0.0162 ( 6158 PWs) bands (ev): -21.6771 -21.6771 -21.6678 -21.6678 -19.4228 -19.4228 -19.4177 -19.4177 -14.2851 -14.2851 -12.8405 -12.8405 -12.2870 -12.2870 -10.2596 -10.2596 -8.3113 -8.3113 -7.7078 -7.7078 -7.3830 -7.3830 -6.4448 -6.4448 -6.3221 -6.3221 -5.9175 -5.9175 -5.7361 -5.7361 -5.3054 -5.3054 -4.5663 -4.5663 -4.3186 -4.3186 -4.2112 -4.2112 -4.0276 -4.0276 -3.8088 -3.8088 -2.6675 -2.6675 -2.3476 -2.3476 -1.3891 -1.3891 -1.2134 -1.2134 -0.9473 -0.9473 -0.4048 -0.4048 -0.2908 -0.2908 3.1544 3.1544 6.1912 6.1912 7.4155 7.4155 7.9022 7.9022 8.2820 8.2820 8.8913 8.8913 k =-0.3793-0.3767 0.0159 ( 6150 PWs) bands (ev): -21.6780 -21.6780 -21.6680 -21.6680 -19.4235 -19.4235 -19.4185 -19.4185 -14.2856 -14.2856 -12.8442 -12.8442 -12.2830 -12.2830 -10.2666 -10.2666 -8.3064 -8.3064 -7.7185 -7.7185 -7.3711 -7.3711 -6.4322 -6.4322 -6.3037 -6.3037 -5.9131 -5.9131 -5.7389 -5.7389 -5.2912 -5.2912 -4.5805 -4.5805 -4.3261 -4.3261 -4.2125 -4.2125 -4.0251 -4.0251 -3.8226 -3.8226 -2.6630 -2.6630 -2.3310 -2.3310 -1.3869 -1.3869 -1.2217 -1.2217 -0.9429 -0.9429 -0.4099 -0.4099 -0.2908 -0.2908 3.1577 3.1577 6.1887 6.1887 7.3839 7.3839 7.8812 7.8812 8.3010 8.3010 8.8298 8.8298 k =-0.3707-0.3682 0.0155 ( 6152 PWs) bands (ev): -21.6790 -21.6790 -21.6682 -21.6682 -19.4241 -19.4241 -19.4192 -19.4192 -14.2861 -14.2861 -12.8480 -12.8480 -12.2792 -12.2792 -10.2736 -10.2736 -8.3012 -8.3012 -7.7294 -7.7294 -7.3587 -7.3587 -6.4190 -6.4190 -6.2855 -6.2855 -5.9095 -5.9095 -5.7390 -5.7390 -5.2777 -5.2777 -4.5962 -4.5962 -4.3338 -4.3338 -4.2129 -4.2129 -4.0224 -4.0224 -3.8355 -3.8355 -2.6590 -2.6590 -2.3146 -2.3146 -1.3850 -1.3850 -1.2293 -1.2293 -0.9393 -0.9393 -0.4147 -0.4147 -0.2910 -0.2910 3.1612 3.1612 6.1858 6.1858 7.3525 7.3525 7.8595 7.8595 8.3181 8.3181 8.7641 8.7641 k =-0.3621-0.3596 0.0151 ( 6154 PWs) bands (ev): -21.6800 -21.6800 -21.6684 -21.6684 -19.4247 -19.4247 -19.4199 -19.4199 -14.2867 -14.2867 -12.8518 -12.8518 -12.2757 -12.2757 -10.2807 -10.2807 -8.2956 -8.2956 -7.7404 -7.7404 -7.3462 -7.3462 -6.4050 -6.4050 -6.2678 -6.2678 -5.9067 -5.9067 -5.7363 -5.7363 -5.2650 -5.2650 -4.6134 -4.6134 -4.3413 -4.3413 -4.2126 -4.2126 -4.0192 -4.0192 -3.8472 -3.8472 -2.6553 -2.6553 -2.2984 -2.2984 -1.3833 -1.3833 -1.2361 -1.2361 -0.9364 -0.9364 -0.4193 -0.4193 -0.2915 -0.2915 3.1647 3.1647 6.1827 6.1827 7.3214 7.3214 7.8375 7.8375 8.3330 8.3330 8.6963 8.6963 k =-0.3534-0.3511 0.0148 ( 6153 PWs) bands (ev): -21.6812 -21.6812 -21.6687 -21.6687 -19.4253 -19.4253 -19.4207 -19.4207 -14.2873 -14.2873 -12.8557 -12.8557 -12.2724 -12.2724 -10.2877 -10.2877 -8.2899 -8.2899 -7.7513 -7.7513 -7.3335 -7.3335 -6.3903 -6.3903 -6.2507 -6.2507 -5.9046 -5.9046 -5.7308 -5.7308 -5.2530 -5.2530 -4.6317 -4.6317 -4.3486 -4.3486 -4.2118 -4.2118 -4.0156 -4.0156 -3.8577 -3.8577 -2.6520 -2.6520 -2.2826 -2.2826 -1.3819 -1.3819 -1.2420 -1.2420 -0.9342 -0.9342 -0.4237 -0.4237 -0.2921 -0.2921 3.1684 3.1684 6.1792 6.1792 7.2907 7.2907 7.8152 7.8152 8.3451 8.3451 8.6272 8.6272 k =-0.3448-0.3425 0.0144 ( 6153 PWs) bands (ev): -21.6824 -21.6824 -21.6690 -21.6690 -19.4259 -19.4259 -19.4214 -19.4214 -14.2879 -14.2879 -12.8596 -12.8596 -12.2695 -12.2695 -10.2946 -10.2946 -8.2839 -8.2839 -7.7620 -7.7620 -7.3209 -7.3209 -6.3750 -6.3750 -6.2344 -6.2344 -5.9029 -5.9029 -5.7228 -5.7228 -5.2420 -5.2420 -4.6508 -4.6508 -4.3555 -4.3555 -4.2104 -4.2104 -4.0117 -4.0117 -3.8669 -3.8669 -2.6490 -2.6490 -2.2676 -2.2676 -1.3810 -1.3810 -1.2470 -1.2470 -0.9329 -0.9329 -0.4279 -0.4279 -0.2929 -0.2929 3.1721 3.1721 6.1753 6.1753 7.2607 7.2607 7.7928 7.7928 8.3541 8.3541 8.5576 8.5576 k =-0.3362-0.3339 0.0141 ( 6150 PWs) bands (ev): -21.6836 -21.6836 -21.6693 -21.6693 -19.4264 -19.4264 -19.4220 -19.4220 -14.2886 -14.2886 -12.8635 -12.8635 -12.2671 -12.2671 -10.3012 -10.3012 -8.2778 -8.2778 -7.7724 -7.7724 -7.3085 -7.3085 -6.3592 -6.3592 -6.2193 -6.2193 -5.9013 -5.9013 -5.7128 -5.7128 -5.2318 -5.2318 -4.6703 -4.6703 -4.3618 -4.3618 -4.2085 -4.2085 -4.0074 -4.0074 -3.8748 -3.8748 -2.6464 -2.6464 -2.2533 -2.2533 -1.3805 -1.3805 -1.2511 -1.2511 -0.9323 -0.9323 -0.4318 -0.4318 -0.2939 -0.2939 3.1759 3.1759 6.1711 6.1711 7.2313 7.2313 7.7704 7.7704 8.3591 8.3591 8.4881 8.4881 k =-0.3276-0.3254 0.0137 ( 6152 PWs) bands (ev): -21.6850 -21.6850 -21.6697 -21.6697 -19.4268 -19.4268 -19.4227 -19.4227 -14.2893 -14.2893 -12.8673 -12.8673 -12.2652 -12.2652 -10.3076 -10.3076 -8.2718 -8.2718 -7.7822 -7.7822 -7.2964 -7.2964 -6.3429 -6.3429 -6.2054 -6.2054 -5.8995 -5.8995 -5.7012 -5.7012 -5.2226 -5.2226 -4.6897 -4.6897 -4.3677 -4.3677 -4.2062 -4.2062 -4.0027 -4.0027 -3.8814 -3.8814 -2.6442 -2.6442 -2.2401 -2.2401 -1.3805 -1.3805 -1.2543 -1.2543 -0.9324 -0.9324 -0.4353 -0.4353 -0.2950 -0.2950 3.1797 3.1797 6.1664 6.1664 7.2027 7.2027 7.7480 7.7480 8.3570 8.3570 8.4221 8.4221 k =-0.3190-0.3168 0.0133 ( 6152 PWs) bands (ev): -21.6864 -21.6864 -21.6701 -21.6701 -19.4272 -19.4272 -19.4233 -19.4233 -14.2900 -14.2900 -12.8711 -12.8711 -12.2639 -12.2639 -10.3137 -10.3137 -8.2658 -8.2658 -7.7914 -7.7914 -7.2848 -7.2848 -6.3261 -6.3261 -6.1928 -6.1928 -5.8970 -5.8970 -5.6886 -5.6886 -5.2143 -5.2143 -4.7086 -4.7086 -4.3730 -4.3730 -4.2036 -4.2036 -3.9976 -3.9976 -3.8867 -3.8867 -2.6423 -2.6423 -2.2279 -2.2279 -1.3809 -1.3809 -1.2565 -1.2565 -0.9332 -0.9332 -0.4386 -0.4386 -0.2962 -0.2962 3.1835 3.1835 6.1613 6.1613 7.1751 7.1751 7.7258 7.7258 8.3270 8.3270 8.3804 8.3804 k =-0.3103-0.3082 0.0130 ( 6151 PWs) bands (ev): -21.6879 -21.6879 -21.6706 -21.6706 -19.4275 -19.4275 -19.4238 -19.4238 -14.2908 -14.2908 -12.8748 -12.8748 -12.2632 -12.2632 -10.3194 -10.3194 -8.2600 -8.2600 -7.7996 -7.7996 -7.2738 -7.2738 -6.3091 -6.3091 -6.1815 -6.1815 -5.8938 -5.8938 -5.6757 -5.6757 -5.2069 -5.2069 -4.7263 -4.7263 -4.3777 -4.3777 -4.2007 -4.2007 -3.9923 -3.9923 -3.8906 -3.8906 -2.6407 -2.6407 -2.2169 -2.2169 -1.3817 -1.3817 -1.2579 -1.2579 -0.9347 -0.9347 -0.4416 -0.4416 -0.2974 -0.2974 3.1872 3.1872 6.1558 6.1558 7.1485 7.1485 7.7037 7.7037 8.2636 8.2636 8.3688 8.3688 k =-0.3017-0.2997 0.0126 ( 6148 PWs) bands (ev): -21.6895 -21.6895 -21.6711 -21.6711 -19.4277 -19.4277 -19.4242 -19.4242 -14.2917 -14.2917 -12.8784 -12.8784 -12.2632 -12.2632 -10.3245 -10.3245 -8.2545 -8.2545 -7.8069 -7.8069 -7.2635 -7.2635 -6.2919 -6.2919 -6.1713 -6.1713 -5.8896 -5.8896 -5.6631 -5.6631 -5.2005 -5.2005 -4.7423 -4.7423 -4.3817 -4.3817 -4.1975 -4.1975 -3.9866 -3.9866 -3.8934 -3.8934 -2.6394 -2.6394 -2.2072 -2.2072 -1.3829 -1.3829 -1.2584 -1.2584 -0.9368 -0.9368 -0.4443 -0.4443 -0.2987 -0.2987 3.1909 3.1909 6.1499 6.1499 7.1230 7.1230 7.6819 7.6819 8.1943 8.1943 8.3600 8.3600 k =-0.2931-0.2911 0.0123 ( 6150 PWs) bands (ev): -21.6911 -21.6911 -21.6717 -21.6717 -19.4278 -19.4278 -19.4246 -19.4246 -14.2925 -14.2925 -12.8818 -12.8818 -12.2639 -12.2639 -10.3292 -10.3292 -8.2495 -8.2495 -7.8129 -7.8129 -7.2542 -7.2542 -6.2746 -6.2746 -6.1621 -6.1621 -5.8844 -5.8844 -5.6515 -5.6515 -5.1948 -5.1948 -4.7562 -4.7562 -4.3851 -4.3851 -4.1940 -4.1940 -3.9808 -3.9808 -3.8949 -3.8949 -2.6383 -2.6383 -2.1989 -2.1989 -1.3844 -1.3844 -1.2583 -1.2583 -0.9395 -0.9395 -0.4466 -0.4466 -0.2999 -0.2999 3.1944 3.1944 6.1434 6.1434 7.0988 7.0988 7.6603 7.6603 8.1242 8.1242 8.3493 8.3493 k =-0.2845-0.2826 0.0119 ( 6151 PWs) bands (ev): -21.6928 -21.6928 -21.6723 -21.6723 -19.4279 -19.4279 -19.4249 -19.4249 -14.2934 -14.2934 -12.8852 -12.8852 -12.2654 -12.2654 -10.3334 -10.3334 -8.2451 -8.2451 -7.8175 -7.8175 -7.2458 -7.2458 -6.2574 -6.2574 -6.1537 -6.1537 -5.8783 -5.8783 -5.6414 -5.6414 -5.1900 -5.1900 -4.7673 -4.7673 -4.3877 -4.3877 -4.1903 -4.1903 -3.9747 -3.9747 -3.8952 -3.8952 -2.6376 -2.6376 -2.1920 -2.1920 -1.3860 -1.3860 -1.2576 -1.2576 -0.9428 -0.9428 -0.4487 -0.4487 -0.3012 -0.3012 3.1979 3.1979 6.1365 6.1365 7.0758 7.0758 7.6390 7.6390 8.0543 8.0543 8.3363 8.3363 k =-0.2759-0.2740 0.0115 ( 6150 PWs) bands (ev): -21.6945 -21.6945 -21.6729 -21.6729 -19.4278 -19.4278 -19.4251 -19.4251 -14.2943 -14.2943 -12.8884 -12.8884 -12.2677 -12.2677 -10.3369 -10.3369 -8.2414 -8.2414 -7.8205 -7.8205 -7.2385 -7.2385 -6.2405 -6.2405 -6.1456 -6.1456 -5.8713 -5.8713 -5.6333 -5.6333 -5.1857 -5.1857 -4.7754 -4.7754 -4.3895 -4.3895 -4.1865 -4.1865 -3.9684 -3.9684 -3.8945 -3.8945 -2.6372 -2.6372 -2.1867 -2.1867 -1.3878 -1.3878 -1.2565 -1.2565 -0.9465 -0.9465 -0.4505 -0.4505 -0.3023 -0.3023 3.2011 3.2011 6.1291 6.1291 7.0541 7.0541 7.6178 7.6178 7.9850 7.9850 8.3209 8.3209 k =-0.2672-0.2654 0.0112 ( 6151 PWs) bands (ev): -21.6963 -21.6963 -21.6736 -21.6736 -19.4277 -19.4277 -19.4252 -19.4252 -14.2953 -14.2953 -12.8914 -12.8914 -12.2707 -12.2707 -10.3398 -10.3398 -8.2386 -8.2386 -7.8219 -7.8219 -7.2324 -7.2324 -6.2243 -6.2243 -6.1375 -6.1375 -5.8635 -5.8635 -5.6279 -5.6279 -5.1820 -5.1820 -4.7800 -4.7800 -4.3904 -4.3904 -4.1825 -4.1825 -3.9620 -3.9620 -3.8926 -3.8926 -2.6370 -2.6370 -2.1828 -2.1828 -1.3896 -1.3896 -1.2550 -1.2550 -0.9507 -0.9507 -0.4519 -0.4519 -0.3034 -0.3034 3.2042 3.2042 6.1212 6.1212 7.0339 7.0339 7.5967 7.5967 7.9167 7.9167 8.3034 8.3034 k =-0.2586-0.2569 0.0108 ( 6154 PWs) bands (ev): -21.6982 -21.6982 -21.6743 -21.6743 -19.4276 -19.4276 -19.4251 -19.4251 -14.2963 -14.2963 -12.8942 -12.8942 -12.2746 -12.2746 -10.3420 -10.3420 -8.2367 -8.2367 -7.8214 -7.8214 -7.2276 -7.2276 -6.2090 -6.2090 -6.1288 -6.1288 -5.8552 -5.8552 -5.6253 -5.6253 -5.1788 -5.1788 -4.7808 -4.7808 -4.3905 -4.3905 -4.1783 -4.1783 -3.9555 -3.9555 -3.8898 -3.8898 -2.6371 -2.6371 -2.1806 -2.1806 -1.3914 -1.3914 -1.2532 -1.2532 -0.9553 -0.9553 -0.4531 -0.4531 -0.3044 -0.3044 3.2071 3.2071 6.1128 6.1128 7.0151 7.0151 7.5753 7.5753 7.8499 7.8499 8.2841 8.2841 k =-0.2500-0.2483 0.0105 ( 6154 PWs) bands (ev): -21.7001 -21.7001 -21.6751 -21.6751 -19.4273 -19.4273 -19.4250 -19.4250 -14.2973 -14.2973 -12.8968 -12.8968 -12.2792 -12.2792 -10.3436 -10.3436 -8.2358 -8.2358 -7.8191 -7.8191 -7.2241 -7.2241 -6.1952 -6.1952 -6.1191 -6.1191 -5.8465 -5.8465 -5.6258 -5.6258 -5.1760 -5.1760 -4.7778 -4.7778 -4.3895 -4.3895 -4.1740 -4.1740 -3.9487 -3.9487 -3.8861 -3.8861 -2.6374 -2.6374 -2.1799 -2.1799 -1.3931 -1.3931 -1.2512 -1.2512 -0.9601 -0.9601 -0.4540 -0.4540 -0.3052 -0.3052 3.2097 3.2097 6.1040 6.1040 6.9977 6.9977 7.5531 7.5531 7.7853 7.7853 8.2632 8.2632 k =-0.2414-0.2397 0.0101 ( 6151 PWs) bands (ev): -21.7020 -21.7020 -21.6758 -21.6758 -19.4270 -19.4270 -19.4247 -19.4247 -14.2984 -14.2984 -12.8992 -12.8992 -12.2847 -12.2847 -10.3445 -10.3445 -8.2359 -8.2359 -7.8149 -7.8149 -7.2220 -7.2220 -6.1831 -6.1831 -6.1080 -6.1080 -5.8376 -5.8376 -5.6290 -5.6290 -5.1737 -5.1737 -4.7710 -4.7710 -4.3876 -4.3876 -4.1697 -4.1697 -3.9418 -3.9418 -3.8816 -3.8816 -2.6380 -2.6380 -2.1808 -2.1808 -1.3947 -1.3947 -1.2491 -1.2491 -0.9652 -0.9652 -0.4546 -0.4546 -0.3059 -0.3059 3.2120 3.2120 6.0947 6.0947 6.9818 6.9818 7.5292 7.5292 7.7240 7.7240 8.2409 8.2409 k =-0.2328-0.2312 0.0097 ( 6154 PWs) bands (ev): -21.7040 -21.7040 -21.6767 -21.6767 -19.4267 -19.4267 -19.4242 -19.4242 -14.2995 -14.2995 -12.9013 -12.9013 -12.2910 -12.2910 -10.3448 -10.3448 -8.2370 -8.2370 -7.8090 -7.8090 -7.2211 -7.2211 -6.1729 -6.1729 -6.0953 -6.0953 -5.8287 -5.8287 -5.6348 -5.6348 -5.1721 -5.1721 -4.7605 -4.7605 -4.3846 -4.3846 -4.1653 -4.1653 -3.9347 -3.9347 -3.8764 -3.8764 -2.6388 -2.6388 -2.1834 -2.1834 -1.3962 -1.3962 -1.2470 -1.2470 -0.9705 -0.9705 -0.4549 -0.4549 -0.3064 -0.3064 3.2141 3.2141 6.0849 6.0849 6.9674 6.9674 7.5020 7.5020 7.6678 7.6678 8.2175 8.2175 k =-0.2241-0.2226 0.0094 ( 6154 PWs) bands (ev): -21.7059 -21.7059 -21.6775 -21.6775 -19.4264 -19.4264 -19.4237 -19.4237 -14.3006 -14.3006 -12.9033 -12.9033 -12.2980 -12.2980 -10.3443 -10.3443 -8.2390 -8.2390 -7.8013 -7.8013 -7.2216 -7.2216 -6.1647 -6.1647 -6.0812 -6.0812 -5.8200 -5.8200 -5.6426 -5.6426 -5.1713 -5.1713 -4.7464 -4.7464 -4.3806 -4.3806 -4.1608 -4.1608 -3.9273 -3.9273 -3.8707 -3.8707 -2.6398 -2.6398 -2.1874 -2.1874 -1.3976 -1.3976 -1.2449 -1.2449 -0.9759 -0.9759 -0.4550 -0.4550 -0.3067 -0.3067 3.2158 3.2158 6.0748 6.0748 6.9543 6.9543 7.4691 7.4691 7.6192 7.6192 8.1930 8.1930 k =-0.2155-0.2141 0.0090 ( 6151 PWs) bands (ev): -21.7080 -21.7080 -21.6784 -21.6784 -19.4260 -19.4260 -19.4229 -19.4229 -14.3017 -14.3017 -12.9049 -12.9049 -12.3058 -12.3058 -10.3433 -10.3433 -8.2418 -8.2418 -7.7920 -7.7920 -7.2233 -7.2233 -6.1582 -6.1582 -6.0661 -6.0661 -5.8117 -5.8117 -5.6515 -5.6515 -5.1715 -5.1715 -4.7293 -4.7293 -4.3756 -4.3756 -4.1563 -4.1563 -3.9195 -3.9195 -3.8644 -3.8644 -2.6411 -2.6411 -2.1931 -2.1931 -1.3988 -1.3988 -1.2429 -1.2429 -0.9813 -0.9813 -0.4547 -0.4547 -0.3069 -0.3069 3.2173 3.2173 6.0643 6.0643 6.9425 6.9425 7.4287 7.4287 7.5802 7.5802 8.1676 8.1676 k =-0.2069-0.2055 0.0087 ( 6152 PWs) bands (ev): -21.7100 -21.7100 -21.6794 -21.6794 -19.4255 -19.4255 -19.4221 -19.4221 -14.3029 -14.3029 -12.9064 -12.9064 -12.3142 -12.3142 -10.3416 -10.3416 -8.2453 -8.2453 -7.7813 -7.7813 -7.2262 -7.2262 -6.1532 -6.1532 -6.0503 -6.0503 -5.8041 -5.8041 -5.6609 -5.6609 -5.1727 -5.1727 -4.7094 -4.7094 -4.3695 -4.3695 -4.1518 -4.1518 -3.9114 -3.9114 -3.8577 -3.8577 -2.6426 -2.6426 -2.2002 -2.2002 -1.3999 -1.3999 -1.2410 -1.2410 -0.9867 -0.9867 -0.4541 -0.4541 -0.3069 -0.3069 3.2184 3.2184 6.0535 6.0535 6.9319 6.9319 7.3815 7.3815 7.5506 7.5506 8.1415 8.1415 k =-0.1983-0.1969 0.0083 ( 6147 PWs) bands (ev): -21.7120 -21.7120 -21.6803 -21.6803 -19.4250 -19.4250 -19.4212 -19.4212 -14.3040 -14.3040 -12.9075 -12.9075 -12.3233 -12.3233 -10.3393 -10.3393 -8.2494 -8.2494 -7.7693 -7.7693 -7.2302 -7.2302 -6.1497 -6.1497 -6.0342 -6.0342 -5.7974 -5.7974 -5.6696 -5.6696 -5.1751 -5.1751 -4.6874 -4.6874 -4.3623 -4.3623 -4.1471 -4.1471 -3.9030 -3.9030 -3.8507 -3.8507 -2.6442 -2.6442 -2.2088 -2.2088 -1.4008 -1.4008 -1.2393 -1.2393 -0.9920 -0.9920 -0.4532 -0.4532 -0.3068 -0.3068 3.2191 3.2191 6.0424 6.0424 6.9222 6.9222 7.3302 7.3302 7.5279 7.5279 8.1146 8.1146 k =-0.1897-0.1884 0.0079 ( 6144 PWs) bands (ev): -21.7141 -21.7141 -21.6812 -21.6812 -19.4244 -19.4244 -19.4202 -19.4202 -14.3052 -14.3052 -12.9084 -12.9084 -12.3330 -12.3330 -10.3365 -10.3365 -8.2540 -8.2540 -7.7561 -7.7561 -7.2352 -7.2352 -6.1479 -6.1479 -6.0182 -6.0182 -5.7919 -5.7919 -5.6769 -5.6769 -5.1787 -5.1787 -4.6637 -4.6637 -4.3541 -4.3541 -4.1424 -4.1424 -3.8941 -3.8941 -3.8434 -3.8434 -2.6461 -2.6461 -2.2187 -2.2187 -1.4016 -1.4016 -1.2379 -1.2379 -0.9972 -0.9972 -0.4521 -0.4521 -0.3065 -0.3065 3.2196 3.2196 6.0312 6.0312 6.9131 6.9131 7.2775 7.2775 7.5098 7.5098 8.0871 8.0871 k =-0.1810-0.1798 0.0076 ( 6140 PWs) bands (ev): -21.7161 -21.7161 -21.6822 -21.6822 -19.4238 -19.4238 -19.4191 -19.4191 -14.3064 -14.3064 -12.9090 -12.9090 -12.3432 -12.3432 -10.3331 -10.3331 -8.2589 -8.2589 -7.7421 -7.7421 -7.2411 -7.2411 -6.1478 -6.1478 -6.0025 -6.0025 -5.7877 -5.7877 -5.6818 -5.6818 -5.1836 -5.1836 -4.6389 -4.6389 -4.3447 -4.3447 -4.1377 -4.1377 -3.8849 -3.8849 -3.8359 -3.8359 -2.6482 -2.6482 -2.2299 -2.2299 -1.4022 -1.4022 -1.2367 -1.2367 -1.0022 -1.0022 -0.4506 -0.4506 -0.3061 -0.3061 3.2197 3.2197 6.0198 6.0198 6.9041 6.9041 7.2255 7.2255 7.4947 7.4947 8.0590 8.0590 k =-0.1724-0.1712 0.0072 ( 6136 PWs) bands (ev): -21.7181 -21.7181 -21.6832 -21.6832 -19.4231 -19.4231 -19.4180 -19.4180 -14.3075 -14.3075 -12.9093 -12.9093 -12.3538 -12.3538 -10.3294 -10.3294 -8.2641 -8.2641 -7.7273 -7.7273 -7.2477 -7.2477 -6.1498 -6.1498 -5.9871 -5.9871 -5.7844 -5.7844 -5.6841 -5.6841 -5.1897 -5.1897 -4.6137 -4.6137 -4.3341 -4.3341 -4.1328 -4.1328 -3.8753 -3.8753 -3.8282 -3.8282 -2.6505 -2.6505 -2.2424 -2.2424 -1.4027 -1.4027 -1.2358 -1.2358 -1.0069 -1.0069 -0.4488 -0.4488 -0.3056 -0.3056 3.2194 3.2194 6.0084 6.0084 6.8945 6.8945 7.1760 7.1760 7.4820 7.4820 8.0303 8.0303 k =-0.1638-0.1627 0.0069 ( 6130 PWs) bands (ev): -21.7201 -21.7201 -21.6841 -21.6841 -19.4224 -19.4224 -19.4168 -19.4168 -14.3087 -14.3087 -12.9094 -12.9094 -12.3648 -12.3648 -10.3252 -10.3252 -8.2694 -8.2694 -7.7120 -7.7120 -7.2550 -7.2550 -6.1539 -6.1539 -5.9724 -5.9724 -5.7814 -5.7814 -5.6838 -5.6838 -5.1970 -5.1970 -4.5887 -4.5887 -4.3223 -4.3223 -4.1279 -4.1279 -3.8653 -3.8653 -3.8202 -3.8202 -2.6530 -2.6530 -2.2559 -2.2559 -1.4031 -1.4031 -1.2352 -1.2352 -1.0113 -1.0113 -0.4467 -0.4467 -0.3050 -0.3050 3.2189 3.2189 5.9970 5.9970 6.8830 6.8830 7.1307 7.1307 7.4709 7.4709 8.0012 8.0012 k =-0.1552-0.1541 0.0065 ( 6131 PWs) bands (ev): -21.7220 -21.7220 -21.6851 -21.6851 -19.4217 -19.4217 -19.4156 -19.4156 -14.3098 -14.3098 -12.9091 -12.9091 -12.3762 -12.3762 -10.3207 -10.3207 -8.2747 -8.2747 -7.6962 -7.6962 -7.2627 -7.2627 -6.1605 -6.1605 -5.9583 -5.9583 -5.7780 -5.7780 -5.6813 -5.6813 -5.2055 -5.2055 -4.5644 -4.5644 -4.3090 -4.3090 -4.1229 -4.1229 -3.8552 -3.8552 -3.8121 -3.8121 -2.6558 -2.6558 -2.2704 -2.2704 -1.4034 -1.4034 -1.2350 -1.2350 -1.0154 -1.0154 -0.4442 -0.4442 -0.3044 -0.3044 3.2180 3.2180 5.9857 5.9857 6.8681 6.8681 7.0915 7.0915 7.4612 7.4612 7.9715 7.9715 k =-0.1466-0.1456 0.0061 ( 6127 PWs) bands (ev): -21.7239 -21.7239 -21.6860 -21.6860 -19.4209 -19.4209 -19.4143 -19.4143 -14.3109 -14.3109 -12.9086 -12.9086 -12.3877 -12.3877 -10.3159 -10.3159 -8.2800 -8.2800 -7.6803 -7.6803 -7.2707 -7.2707 -6.1693 -6.1693 -5.9448 -5.9448 -5.7734 -5.7734 -5.6772 -5.6772 -5.2151 -5.2151 -4.5414 -4.5414 -4.2943 -4.2943 -4.1177 -4.1177 -3.8450 -3.8450 -3.8036 -3.8036 -2.6587 -2.6587 -2.2858 -2.2858 -1.4037 -1.4037 -1.2352 -1.2352 -1.0190 -1.0190 -0.4415 -0.4415 -0.3037 -0.3037 3.2169 3.2169 5.9745 5.9745 6.8482 6.8482 7.0602 7.0602 7.4528 7.4528 7.9414 7.9414 k =-0.1379-0.1370 0.0058 ( 6124 PWs) bands (ev): -21.7257 -21.7257 -21.6870 -21.6870 -19.4201 -19.4201 -19.4131 -19.4131 -14.3120 -14.3120 -12.9079 -12.9079 -12.3994 -12.3994 -10.3109 -10.3109 -8.2852 -8.2852 -7.6644 -7.6644 -7.2790 -7.2790 -6.1804 -6.1804 -5.9319 -5.9319 -5.7672 -5.7672 -5.6721 -5.6721 -5.2258 -5.2258 -4.5201 -4.5201 -4.2781 -4.2781 -4.1125 -4.1125 -3.8348 -3.8348 -3.7946 -3.7946 -2.6618 -2.6618 -2.3018 -2.3018 -1.4038 -1.4038 -1.2357 -1.2357 -1.0223 -1.0223 -0.4385 -0.4385 -0.3031 -0.3031 3.2156 3.2156 5.9637 5.9637 6.8224 6.8224 7.0379 7.0379 7.4454 7.4454 7.9111 7.9111 k =-0.1293-0.1284 0.0054 ( 6128 PWs) bands (ev): -21.7275 -21.7275 -21.6879 -21.6879 -19.4193 -19.4193 -19.4118 -19.4118 -14.3130 -14.3130 -12.9069 -12.9069 -12.4112 -12.4112 -10.3057 -10.3057 -8.2903 -8.2903 -7.6485 -7.6485 -7.2873 -7.2873 -6.1934 -6.1934 -5.9195 -5.9195 -5.7592 -5.7592 -5.6663 -5.6663 -5.2376 -5.2376 -4.5010 -4.5010 -4.2606 -4.2606 -4.1073 -4.1073 -3.8250 -3.8250 -3.7851 -3.7851 -2.6651 -2.6651 -2.3184 -2.3184 -1.4038 -1.4038 -1.2367 -1.2367 -1.0251 -1.0251 -0.4352 -0.4352 -0.3026 -0.3026 3.2140 3.2140 5.9532 5.9532 6.7915 6.7915 7.0240 7.0240 7.4391 7.4391 7.8806 7.8806 k =-0.1207-0.1199 0.0050 ( 6137 PWs) bands (ev): -21.7292 -21.7292 -21.6888 -21.6888 -19.4185 -19.4185 -19.4106 -19.4106 -14.3141 -14.3141 -12.9057 -12.9057 -12.4228 -12.4228 -10.3005 -10.3005 -8.2952 -8.2952 -7.6330 -7.6330 -7.2955 -7.2955 -6.2079 -6.2079 -5.9075 -5.9075 -5.7494 -5.7494 -5.6602 -5.6602 -5.2503 -5.2503 -4.4840 -4.4840 -4.2418 -4.2418 -4.1020 -4.1020 -3.8158 -3.8158 -3.7748 -3.7748 -2.6686 -2.6686 -2.3354 -2.3354 -1.4038 -1.4038 -1.2380 -1.2380 -1.0276 -1.0276 -0.4316 -0.4316 -0.3021 -0.3021 3.2122 3.2122 5.9431 5.9431 6.7571 6.7571 7.0168 7.0168 7.4336 7.4336 7.8500 7.8500 k =-0.1121-0.1113 0.0047 ( 6139 PWs) bands (ev): -21.7309 -21.7309 -21.6896 -21.6896 -19.4177 -19.4177 -19.4093 -19.4093 -14.3150 -14.3150 -12.9042 -12.9042 -12.4344 -12.4344 -10.2953 -10.2953 -8.2998 -8.2998 -7.6178 -7.6178 -7.3035 -7.3035 -6.2236 -6.2236 -5.8960 -5.8960 -5.7381 -5.7381 -5.6540 -5.6540 -5.2639 -5.2639 -4.4693 -4.4693 -4.2222 -4.2222 -4.0966 -4.0966 -3.8072 -3.8072 -3.7637 -3.7637 -2.6724 -2.6724 -2.3525 -2.3525 -1.4037 -1.4037 -1.2396 -1.2396 -1.0296 -1.0296 -0.4278 -0.4278 -0.3017 -0.3017 3.2104 3.2104 5.9335 5.9335 6.7211 6.7211 7.0146 7.0146 7.4291 7.4291 7.8195 7.8195 k =-0.1034-0.1027 0.0043 ( 6137 PWs) bands (ev): -21.7324 -21.7324 -21.6904 -21.6904 -19.4169 -19.4169 -19.4082 -19.4082 -14.3160 -14.3160 -12.9026 -12.9026 -12.4457 -12.4457 -10.2901 -10.2901 -8.3042 -8.3042 -7.6033 -7.6033 -7.3112 -7.3112 -6.2399 -6.2399 -5.8849 -5.8849 -5.7255 -5.7255 -5.6478 -5.6478 -5.2784 -5.2784 -4.4568 -4.4568 -4.2022 -4.2022 -4.0911 -4.0911 -3.7995 -3.7995 -3.7519 -3.7519 -2.6763 -2.6763 -2.3695 -2.3695 -1.4035 -1.4035 -1.2415 -1.2415 -1.0313 -1.0313 -0.4238 -0.4238 -0.3015 -0.3015 3.2084 3.2084 5.9244 5.9244 6.6851 6.6851 7.0159 7.0159 7.4253 7.4253 7.7892 7.7892 k =-0.0948-0.0942 0.0040 ( 6135 PWs) bands (ev): -21.7339 -21.7339 -21.6912 -21.6912 -19.4161 -19.4161 -19.4070 -19.4070 -14.3168 -14.3168 -12.9009 -12.9009 -12.4566 -12.4566 -10.2850 -10.2850 -8.3083 -8.3083 -7.5895 -7.5895 -7.3184 -7.3184 -6.2564 -6.2564 -5.8743 -5.8743 -5.7117 -5.7117 -5.6417 -5.6417 -5.2936 -5.2936 -4.4462 -4.4462 -4.1824 -4.1824 -4.0856 -4.0856 -3.7925 -3.7925 -3.7393 -3.7393 -2.6805 -2.6805 -2.3863 -2.3863 -1.4033 -1.4033 -1.2436 -1.2436 -1.0326 -1.0326 -0.4197 -0.4197 -0.3014 -0.3014 3.2064 3.2064 5.9159 5.9159 6.6499 6.6499 7.0197 7.0197 7.4223 7.4223 7.7595 7.7595 k =-0.0862-0.0856 0.0036 ( 6132 PWs) bands (ev): -21.7352 -21.7352 -21.6919 -21.6919 -19.4154 -19.4154 -19.4059 -19.4059 -14.3176 -14.3176 -12.8991 -12.8991 -12.4671 -12.4671 -10.2802 -10.2802 -8.3120 -8.3120 -7.5766 -7.5766 -7.3251 -7.3251 -6.2728 -6.2728 -5.8642 -5.8642 -5.6971 -5.6971 -5.6359 -5.6359 -5.3096 -5.3096 -4.4373 -4.4373 -4.1633 -4.1633 -4.0800 -4.0800 -3.7863 -3.7863 -3.7263 -3.7263 -2.6848 -2.6848 -2.4026 -2.4026 -1.4030 -1.4030 -1.2459 -1.2459 -1.0336 -1.0336 -0.4155 -0.4155 -0.3015 -0.3015 3.2043 3.2043 5.9081 5.9081 6.6164 6.6164 7.0252 7.0252 7.4201 7.4201 7.7304 7.7304 k =-0.0776-0.0771 0.0032 ( 6129 PWs) bands (ev): -21.7365 -21.7365 -21.6926 -21.6926 -19.4147 -19.4147 -19.4049 -19.4049 -14.3184 -14.3184 -12.8971 -12.8971 -12.4770 -12.4770 -10.2756 -10.2756 -8.3155 -8.3155 -7.5646 -7.5646 -7.3311 -7.3311 -6.2886 -6.2886 -5.8546 -5.8546 -5.6820 -5.6820 -5.6303 -5.6303 -5.3261 -5.3261 -4.4300 -4.4300 -4.1455 -4.1455 -4.0741 -4.0741 -3.7808 -3.7808 -3.7132 -3.7132 -2.6893 -2.6893 -2.4180 -2.4180 -1.4026 -1.4026 -1.2482 -1.2482 -1.0343 -1.0343 -0.4112 -0.4112 -0.3018 -0.3018 3.2023 3.2023 5.9010 5.9010 6.5851 6.5851 7.0319 7.0319 7.4186 7.4186 7.7023 7.7023 k =-0.0690-0.0685 0.0029 ( 6122 PWs) bands (ev): -21.7376 -21.7376 -21.6932 -21.6932 -19.4141 -19.4141 -19.4040 -19.4040 -14.3191 -14.3191 -12.8952 -12.8952 -12.4862 -12.4862 -10.2713 -10.2713 -8.3186 -8.3186 -7.5538 -7.5538 -7.3363 -7.3363 -6.3037 -6.3037 -5.8458 -5.8458 -5.6665 -5.6665 -5.6247 -5.6247 -5.3431 -5.3431 -4.4238 -4.4238 -4.1295 -4.1295 -4.0679 -4.0679 -3.7760 -3.7760 -3.7001 -3.7001 -2.6938 -2.6938 -2.4325 -2.4325 -1.4023 -1.4023 -1.2506 -1.2506 -1.0349 -1.0349 -0.4070 -0.4070 -0.3022 -0.3022 3.2004 3.2004 5.8947 5.8947 6.5563 6.5563 7.0393 7.0393 7.4179 7.4179 7.6753 7.6753 k =-0.0603-0.0599 0.0025 ( 6124 PWs) bands (ev): -21.7386 -21.7386 -21.6938 -21.6938 -19.4135 -19.4135 -19.4031 -19.4031 -14.3197 -14.3197 -12.8934 -12.8934 -12.4947 -12.4947 -10.2674 -10.2674 -8.3213 -8.3213 -7.5443 -7.5443 -7.3409 -7.3409 -6.3176 -6.3176 -5.8378 -5.8378 -5.6511 -5.6511 -5.6190 -5.6190 -5.3606 -5.3606 -4.4189 -4.4189 -4.1159 -4.1159 -4.0613 -4.0613 -3.7718 -3.7718 -3.6875 -3.6875 -2.6984 -2.6984 -2.4458 -2.4458 -1.4019 -1.4019 -1.2529 -1.2529 -1.0352 -1.0352 -0.4029 -0.4029 -0.3027 -0.3027 3.1986 3.1986 5.8890 5.8890 6.5303 6.5303 7.0471 7.0471 7.4179 7.4179 7.6497 7.6497 k =-0.0517-0.0514 0.0022 ( 6124 PWs) bands (ev): -21.7395 -21.7395 -21.6943 -21.6943 -19.4130 -19.4130 -19.4024 -19.4024 -14.3202 -14.3202 -12.8916 -12.8916 -12.5023 -12.5023 -10.2639 -10.2639 -8.3237 -8.3237 -7.5360 -7.5360 -7.3446 -7.3446 -6.3301 -6.3301 -5.8306 -5.8306 -5.6371 -5.6371 -5.6123 -5.6123 -5.3782 -5.3782 -4.4148 -4.4148 -4.1049 -4.1049 -4.0543 -4.0543 -3.7681 -3.7681 -3.6756 -3.6756 -2.7029 -2.7029 -2.4577 -2.4577 -1.4016 -1.4016 -1.2551 -1.2551 -1.0354 -1.0354 -0.3991 -0.3991 -0.3034 -0.3034 3.1970 3.1970 5.8842 5.8842 6.5073 6.5073 7.0548 7.0548 7.4185 7.4185 7.6260 7.6260 k =-0.0431-0.0428 0.0018 ( 6126 PWs) bands (ev): -21.7403 -21.7403 -21.6947 -21.6947 -19.4125 -19.4125 -19.4017 -19.4017 -14.3207 -14.3207 -12.8899 -12.8899 -12.5090 -12.5090 -10.2608 -10.2608 -8.3258 -8.3258 -7.5290 -7.5290 -7.3476 -7.3476 -6.3411 -6.3411 -5.8244 -5.8244 -5.6264 -5.6264 -5.6026 -5.6026 -5.3959 -5.3959 -4.4116 -4.4116 -4.0965 -4.0965 -4.0472 -4.0472 -3.7651 -3.7651 -3.6648 -3.6648 -2.7072 -2.7072 -2.4680 -2.4680 -1.4012 -1.4012 -1.2571 -1.2571 -1.0356 -1.0356 -0.3956 -0.3956 -0.3041 -0.3041 3.1955 3.1955 5.8801 5.8801 6.4876 6.4876 7.0621 7.0621 7.4198 7.4198 7.6044 7.6044 k =-0.0345-0.0342 0.0014 ( 6127 PWs) bands (ev): -21.7409 -21.7409 -21.6950 -21.6950 -19.4122 -19.4122 -19.4012 -19.4012 -14.3210 -14.3210 -12.8885 -12.8885 -12.5145 -12.5145 -10.2583 -10.2583 -8.3274 -8.3274 -7.5234 -7.5234 -7.3499 -7.3499 -6.3503 -6.3503 -5.8192 -5.8192 -5.6198 -5.6198 -5.5895 -5.5895 -5.4133 -5.4133 -4.4090 -4.4090 -4.0903 -4.0903 -4.0404 -4.0404 -3.7626 -3.7626 -3.6554 -3.6554 -2.7110 -2.7110 -2.4766 -2.4766 -1.4009 -1.4009 -1.2588 -1.2588 -1.0356 -1.0356 -0.3925 -0.3925 -0.3048 -0.3048 3.1943 3.1943 5.8767 5.8767 6.4712 6.4712 7.0688 7.0688 7.4216 7.4216 7.5854 7.5854 k =-0.0259-0.0257 0.0011 ( 6128 PWs) bands (ev): -21.7414 -21.7414 -21.6953 -21.6953 -19.4119 -19.4119 -19.4007 -19.4007 -14.3213 -14.3213 -12.8873 -12.8873 -12.5190 -12.5190 -10.2563 -10.2563 -8.3287 -8.3287 -7.5191 -7.5191 -7.3516 -7.3516 -6.3577 -6.3577 -5.8152 -5.8152 -5.6160 -5.6160 -5.5751 -5.5751 -5.4298 -5.4298 -4.4072 -4.4072 -4.0859 -4.0859 -4.0346 -4.0346 -3.7606 -3.7606 -3.6477 -3.6477 -2.7142 -2.7142 -2.4834 -2.4834 -1.4007 -1.4007 -1.2602 -1.2602 -1.0356 -1.0356 -0.3900 -0.3900 -0.3054 -0.3054 3.1933 3.1933 5.8741 5.8741 6.4584 6.4584 7.0743 7.0743 7.4237 7.4237 7.5695 7.5695 k =-0.0172-0.0171 0.0007 ( 6131 PWs) bands (ev): -21.7417 -21.7417 -21.6955 -21.6955 -19.4116 -19.4116 -19.4004 -19.4004 -14.3216 -14.3216 -12.8865 -12.8865 -12.5222 -12.5222 -10.2548 -10.2548 -8.3297 -8.3297 -7.5161 -7.5161 -7.3527 -7.3527 -6.3630 -6.3630 -5.8122 -5.8122 -5.6136 -5.6136 -5.5614 -5.5614 -5.4447 -5.4447 -4.4059 -4.4059 -4.0830 -4.0830 -4.0302 -4.0302 -3.7592 -3.7592 -3.6419 -3.6419 -2.7167 -2.7167 -2.4882 -2.4882 -1.4005 -1.4005 -1.2612 -1.2612 -1.0356 -1.0356 -0.3881 -0.3881 -0.3060 -0.3060 3.1925 3.1925 5.8723 5.8723 6.4491 6.4491 7.0785 7.0785 7.4257 7.4257 7.5574 7.5574 k =-0.0086-0.0086 0.0004 ( 6136 PWs) bands (ev): -21.7420 -21.7420 -21.6956 -21.6956 -19.4115 -19.4115 -19.4002 -19.4002 -14.3217 -14.3217 -12.8859 -12.8859 -12.5241 -12.5241 -10.2539 -10.2539 -8.3302 -8.3302 -7.5143 -7.5143 -7.3533 -7.3533 -6.3662 -6.3662 -5.8105 -5.8105 -5.6124 -5.6124 -5.5508 -5.5508 -5.4557 -5.4557 -4.4051 -4.4051 -4.0814 -4.0814 -4.0274 -4.0274 -3.7584 -3.7584 -3.6384 -3.6384 -2.7182 -2.7182 -2.4911 -2.4911 -1.4003 -1.4003 -1.2619 -1.2619 -1.0356 -1.0356 -0.3869 -0.3869 -0.3063 -0.3063 3.1921 3.1921 5.8712 5.8712 6.4435 6.4435 7.0812 7.0812 7.4272 7.4272 7.5497 7.5497 k = 0.0000 0.0000 0.0000 ( 6131 PWs) bands (ev): -21.7420 -21.7420 -21.6956 -21.6956 -19.4115 -19.4115 -19.4002 -19.4002 -14.3217 -14.3217 -12.8857 -12.8857 -12.5248 -12.5248 -10.2536 -10.2536 -8.3304 -8.3304 -7.5137 -7.5137 -7.3535 -7.3535 -6.3673 -6.3673 -5.8099 -5.8099 -5.6119 -5.6119 -5.5466 -5.5466 -5.4601 -5.4601 -4.4048 -4.4048 -4.0808 -4.0808 -4.0264 -4.0264 -3.7581 -3.7581 -3.6372 -3.6372 -2.7188 -2.7188 -2.4921 -2.4921 -1.4003 -1.4003 -1.2621 -1.2621 -1.0356 -1.0356 -0.3865 -0.3865 -0.3064 -0.3064 3.1919 3.1919 5.8708 5.8708 6.4417 6.4417 7.0821 7.0821 7.4278 7.4278 7.5470 7.5470 k = 0.0000 0.0000 0.0000 ( 6131 PWs) bands (ev): -21.7420 -21.7420 -21.6956 -21.6956 -19.4115 -19.4115 -19.4002 -19.4002 -14.3217 -14.3217 -12.8857 -12.8857 -12.5248 -12.5248 -10.2536 -10.2536 -8.3304 -8.3304 -7.5137 -7.5137 -7.3535 -7.3535 -6.3673 -6.3673 -5.8099 -5.8099 -5.6119 -5.6119 -5.5466 -5.5466 -5.4601 -5.4601 -4.4048 -4.4048 -4.0808 -4.0808 -4.0264 -4.0264 -3.7581 -3.7581 -3.6372 -3.6372 -2.7188 -2.7188 -2.4921 -2.4921 -1.4003 -1.4003 -1.2621 -1.2621 -1.0356 -1.0356 -0.3865 -0.3865 -0.3064 -0.3064 3.1919 3.1919 5.8708 5.8708 6.4417 6.4417 7.0821 7.0821 7.4278 7.4278 7.5470 7.5470 k = 0.0000 0.0000 0.0121 ( 6132 PWs) bands (ev): -21.7420 -21.7420 -21.6957 -21.6957 -19.4115 -19.4115 -19.4001 -19.4001 -14.3216 -14.3216 -12.8869 -12.8869 -12.5235 -12.5235 -10.2541 -10.2541 -8.3298 -8.3298 -7.5135 -7.5135 -7.3541 -7.3541 -6.3671 -6.3671 -5.8097 -5.8097 -5.6125 -5.6125 -5.5460 -5.5460 -5.4605 -5.4605 -4.4044 -4.4044 -4.0813 -4.0813 -4.0274 -4.0274 -3.7586 -3.7586 -3.6360 -3.6360 -2.7185 -2.7185 -2.4921 -2.4921 -1.4001 -1.4001 -1.2623 -1.2623 -1.0355 -1.0355 -0.3864 -0.3864 -0.3066 -0.3066 3.1921 3.1921 5.8701 5.8701 6.4429 6.4429 7.0827 7.0827 7.4266 7.4266 7.5449 7.5449 k = 0.0000 0.0000 0.0243 ( 6134 PWs) bands (ev): -21.7419 -21.7419 -21.6958 -21.6958 -19.4117 -19.4117 -19.4000 -19.4000 -14.3213 -14.3213 -12.8905 -12.8905 -12.5196 -12.5196 -10.2555 -10.2555 -8.3281 -8.3281 -7.5130 -7.5130 -7.3557 -7.3557 -6.3664 -6.3664 -5.8090 -5.8090 -5.6141 -5.6141 -5.5443 -5.5443 -5.4615 -5.4615 -4.4033 -4.4033 -4.0831 -4.0831 -4.0301 -4.0301 -3.7600 -3.7600 -3.6322 -3.6322 -2.7177 -2.7177 -2.4922 -2.4922 -1.3995 -1.3995 -1.2627 -1.2627 -1.0352 -1.0352 -0.3863 -0.3863 -0.3072 -0.3072 3.1925 3.1925 5.8680 5.8680 6.4464 6.4464 7.0846 7.0846 7.4228 7.4228 7.5386 7.5386 k = 0.0000 0.0000 0.0364 ( 6134 PWs) bands (ev): -21.7417 -21.7417 -21.6960 -21.6960 -19.4120 -19.4120 -19.3997 -19.3997 -14.3208 -14.3208 -12.8961 -12.8961 -12.5135 -12.5135 -10.2579 -10.2579 -8.3253 -8.3253 -7.5122 -7.5122 -7.3584 -7.3584 -6.3652 -6.3652 -5.8080 -5.8080 -5.6165 -5.6165 -5.5418 -5.5418 -5.4630 -5.4630 -4.4014 -4.4014 -4.0867 -4.0867 -4.0335 -4.0335 -3.7624 -3.7624 -3.6263 -3.6263 -2.7163 -2.7163 -2.4922 -2.4922 -1.3984 -1.3984 -1.2636 -1.2636 -1.0347 -1.0347 -0.3860 -0.3860 -0.3082 -0.3082 3.1932 3.1932 5.8645 5.8645 6.4523 6.4523 7.0877 7.0877 7.4167 7.4167 7.5283 7.5283 k = 0.0000 0.0000 0.0485 ( 6137 PWs) bands (ev): -21.7414 -21.7414 -21.6963 -21.6963 -19.4123 -19.4123 -19.3994 -19.3994 -14.3201 -14.3201 -12.9035 -12.9035 -12.5053 -12.5053 -10.2611 -10.2611 -8.3215 -8.3215 -7.5111 -7.5111 -7.3621 -7.3621 -6.3637 -6.3637 -5.8066 -5.8066 -5.6195 -5.6195 -5.5391 -5.5391 -5.4645 -5.4645 -4.3989 -4.3989 -4.0931 -4.0931 -4.0363 -4.0363 -3.7657 -3.7657 -3.6186 -3.6186 -2.7144 -2.7144 -2.4923 -2.4923 -1.3970 -1.3970 -1.2647 -1.2647 -1.0339 -1.0339 -0.3856 -0.3856 -0.3095 -0.3095 3.1942 3.1942 5.8598 5.8598 6.4604 6.4604 7.0919 7.0919 7.4079 7.4079 7.5144 7.5144 k = 0.0000 0.0000 0.0607 ( 6132 PWs) bands (ev): -21.7411 -21.7411 -21.6966 -21.6966 -19.4127 -19.4127 -19.3989 -19.3989 -14.3192 -14.3192 -12.9123 -12.9123 -12.4956 -12.4956 -10.2651 -10.2651 -8.3167 -8.3167 -7.5097 -7.5097 -7.3666 -7.3666 -6.3617 -6.3617 -5.8049 -5.8049 -5.6231 -5.6231 -5.5370 -5.5370 -5.4653 -5.4653 -4.3957 -4.3957 -4.1028 -4.1028 -4.0375 -4.0375 -3.7698 -3.7698 -3.6096 -3.6096 -2.7121 -2.7121 -2.4924 -2.4924 -1.3952 -1.3952 -1.2661 -1.2661 -1.0330 -1.0330 -0.3851 -0.3851 -0.3111 -0.3111 3.1954 3.1954 5.8540 5.8540 6.4708 6.4708 7.0971 7.0971 7.3966 7.3966 7.4977 7.4977 k = 0.0000 0.0000 0.0728 ( 6132 PWs) bands (ev): -21.7407 -21.7407 -21.6970 -21.6970 -19.4131 -19.4131 -19.3985 -19.3985 -14.3182 -14.3182 -12.9222 -12.9222 -12.4847 -12.4847 -10.2697 -10.2697 -8.3112 -8.3112 -7.5081 -7.5081 -7.3719 -7.3719 -6.3594 -6.3594 -5.8028 -5.8028 -5.6269 -5.6269 -5.5362 -5.5362 -5.4649 -5.4649 -4.3920 -4.3920 -4.1156 -4.1156 -4.0369 -4.0369 -3.7747 -3.7747 -3.5996 -3.5996 -2.7094 -2.7094 -2.4926 -2.4926 -1.3930 -1.3930 -1.2679 -1.2679 -1.0319 -1.0319 -0.3845 -0.3845 -0.3131 -0.3131 3.1968 3.1968 5.8473 5.8473 6.4834 6.4834 7.1033 7.1033 7.3825 7.3825 7.4788 7.4788 k = 0.0000 0.0000 0.0849 ( 6135 PWs) bands (ev): -21.7403 -21.7403 -21.6974 -21.6974 -19.4136 -19.4136 -19.3980 -19.3980 -14.3170 -14.3170 -12.9328 -12.9328 -12.4729 -12.4729 -10.2749 -10.2749 -8.3048 -8.3048 -7.5063 -7.5063 -7.3779 -7.3779 -6.3568 -6.3568 -5.8005 -5.8005 -5.6310 -5.6310 -5.5373 -5.5373 -5.4625 -5.4625 -4.3879 -4.3879 -4.1308 -4.1308 -4.0346 -4.0346 -3.7804 -3.7804 -3.5891 -3.5891 -2.7063 -2.7063 -2.4928 -2.4928 -1.3904 -1.3904 -1.2699 -1.2699 -1.0307 -1.0307 -0.3838 -0.3838 -0.3154 -0.3154 3.1984 3.1984 5.8398 5.8398 6.4981 6.4981 7.1101 7.1101 7.3653 7.3653 7.4585 7.4585 k = 0.0000 0.0000 0.0971 ( 6137 PWs) bands (ev): -21.7398 -21.7398 -21.6979 -21.6979 -19.4141 -19.4141 -19.3976 -19.3976 -14.3157 -14.3157 -12.9437 -12.9437 -12.4607 -12.4607 -10.2805 -10.2805 -8.2980 -8.2980 -7.5044 -7.5044 -7.3843 -7.3843 -6.3540 -6.3540 -5.7981 -5.7981 -5.6352 -5.6352 -5.5403 -5.5403 -5.4581 -5.4581 -4.3835 -4.3835 -4.1475 -4.1475 -4.0312 -4.0312 -3.7867 -3.7867 -3.5784 -3.5784 -2.7028 -2.7028 -2.4931 -2.4931 -1.3875 -1.3875 -1.2723 -1.2723 -1.0294 -1.0294 -0.3829 -0.3829 -0.3179 -0.3179 3.2002 3.2002 5.8318 5.8318 6.5148 6.5148 7.1176 7.1176 7.3450 7.3450 7.4379 7.4379 k = 0.0000 0.0000 0.1092 ( 6135 PWs) bands (ev): -21.7393 -21.7393 -21.6985 -21.6985 -19.4145 -19.4145 -19.3971 -19.3971 -14.3144 -14.3144 -12.9546 -12.9546 -12.4483 -12.4483 -10.2865 -10.2865 -8.2907 -8.2907 -7.5025 -7.5025 -7.3910 -7.3910 -6.3510 -6.3510 -5.7955 -5.7955 -5.6395 -5.6395 -5.5451 -5.5451 -5.4520 -5.4520 -4.3789 -4.3789 -4.1653 -4.1653 -4.0267 -4.0267 -3.7935 -3.7935 -3.5678 -3.5678 -2.6992 -2.6992 -2.4934 -2.4934 -1.3844 -1.3844 -1.2749 -1.2749 -1.0280 -1.0280 -0.3819 -0.3819 -0.3206 -0.3206 3.2020 3.2020 5.8234 5.8234 6.5335 6.5335 7.1254 7.1254 7.3215 7.3215 7.4178 7.4178 k = 0.0000 0.0000 0.1213 ( 6140 PWs) bands (ev): -21.7387 -21.7387 -21.6990 -21.6990 -19.4150 -19.4150 -19.3966 -19.3966 -14.3130 -14.3130 -12.9654 -12.9654 -12.4362 -12.4362 -10.2925 -10.2925 -8.2832 -8.2832 -7.5007 -7.5007 -7.3977 -7.3977 -6.3479 -6.3479 -5.7928 -5.7928 -5.6439 -5.6439 -5.5510 -5.5510 -5.4445 -5.4445 -4.3740 -4.3740 -4.1834 -4.1834 -4.0216 -4.0216 -3.8009 -3.8009 -3.5576 -3.5576 -2.6954 -2.6954 -2.4938 -2.4938 -1.3809 -1.3809 -1.2778 -1.2778 -1.0266 -1.0266 -0.3808 -0.3808 -0.3235 -0.3235 3.2039 3.2039 5.8150 5.8150 6.5538 6.5538 7.1332 7.1332 7.2953 7.2953 7.3985 7.3985 k = 0.0000 0.0000 0.1335 ( 6137 PWs) bands (ev): -21.7381 -21.7381 -21.6996 -21.6996 -19.4154 -19.4154 -19.3962 -19.3962 -14.3116 -14.3116 -12.9757 -12.9757 -12.4244 -12.4244 -10.2986 -10.2986 -8.2757 -8.2757 -7.4989 -7.4989 -7.4044 -7.4044 -6.3449 -6.3449 -5.7902 -5.7902 -5.6483 -5.6483 -5.5575 -5.5575 -5.4363 -5.4363 -4.3692 -4.3692 -4.2014 -4.2014 -4.0159 -4.0159 -3.8085 -3.8085 -3.5479 -3.5479 -2.6916 -2.6916 -2.4942 -2.4942 -1.3772 -1.3772 -1.2809 -1.2809 -1.0251 -1.0251 -0.3796 -0.3796 -0.3265 -0.3265 3.2057 3.2057 5.8066 5.8066 6.5758 6.5758 7.1405 7.1405 7.2673 7.2673 7.3802 7.3802 k = 0.0000 0.0000 0.1456 ( 6140 PWs) bands (ev): -21.7376 -21.7376 -21.7002 -21.7002 -19.4158 -19.4158 -19.3958 -19.3958 -14.3103 -14.3103 -12.9854 -12.9854 -12.4133 -12.4133 -10.3045 -10.3045 -8.2682 -8.2682 -7.4974 -7.4974 -7.4108 -7.4108 -6.3418 -6.3418 -5.7877 -5.7877 -5.6526 -5.6526 -5.5642 -5.5642 -5.4278 -5.4278 -4.3643 -4.3643 -4.2190 -4.2190 -4.0098 -4.0098 -3.8164 -3.8164 -3.5390 -3.5390 -2.6877 -2.6877 -2.4947 -2.4947 -1.3734 -1.3734 -1.2841 -1.2841 -1.0237 -1.0237 -0.3783 -0.3783 -0.3296 -0.3296 3.2076 3.2076 5.7985 5.7985 6.5992 6.5992 7.1460 7.1460 7.2394 7.2394 7.3630 7.3630 k = 0.0000 0.0000 0.1578 ( 6139 PWs) bands (ev): -21.7370 -21.7370 -21.7008 -21.7008 -19.4162 -19.4162 -19.3954 -19.3954 -14.3090 -14.3090 -12.9943 -12.9943 -12.4030 -12.4030 -10.3101 -10.3101 -8.2611 -8.2611 -7.4961 -7.4961 -7.4167 -7.4167 -6.3389 -6.3389 -5.7852 -5.7852 -5.6567 -5.6567 -5.5708 -5.5708 -5.4193 -5.4193 -4.3595 -4.3595 -4.2358 -4.2358 -4.0036 -4.0036 -3.8243 -3.8243 -3.5308 -3.5308 -2.6841 -2.6841 -2.4952 -2.4952 -1.3694 -1.3694 -1.2876 -1.2876 -1.0224 -1.0224 -0.3768 -0.3768 -0.3328 -0.3328 3.2093 3.2093 5.7909 5.7909 6.6237 6.6237 7.1462 7.1462 7.2159 7.2159 7.3466 7.3466 k = 0.0000 0.0000 0.1699 ( 6138 PWs) bands (ev): -21.7365 -21.7365 -21.7013 -21.7013 -19.4165 -19.4165 -19.3951 -19.3951 -14.3078 -14.3078 -13.0023 -13.0023 -12.3937 -12.3937 -10.3153 -10.3153 -8.2545 -8.2545 -7.4952 -7.4952 -7.4220 -7.4220 -6.3362 -6.3362 -5.7830 -5.7830 -5.6605 -5.6605 -5.5769 -5.5769 -5.4113 -5.4113 -4.3547 -4.3547 -4.2514 -4.2514 -3.9973 -3.9973 -3.8321 -3.8321 -3.5236 -3.5236 -2.6806 -2.6806 -2.4958 -2.4958 -1.3654 -1.3654 -1.2911 -1.2911 -1.0211 -1.0211 -0.3752 -0.3752 -0.3359 -0.3359 3.2110 3.2110 5.7840 5.7840 6.6490 6.6490 7.1346 7.1346 7.2040 7.2040 7.3310 7.3310 k = 0.0000 0.0000 0.1820 ( 6137 PWs) bands (ev): -21.7360 -21.7360 -21.7018 -21.7018 -19.4168 -19.4168 -19.3948 -19.3948 -14.3067 -14.3067 -13.0093 -13.0093 -12.3856 -12.3856 -10.3199 -10.3199 -8.2486 -8.2486 -7.4946 -7.4946 -7.4265 -7.4265 -6.3338 -6.3338 -5.7811 -5.7811 -5.6640 -5.6640 -5.5824 -5.5824 -5.4039 -5.4039 -4.3501 -4.3501 -4.2658 -4.2658 -3.9911 -3.9911 -3.8396 -3.8396 -3.5174 -3.5174 -2.6775 -2.6775 -2.4963 -2.4963 -1.3615 -1.3615 -1.2946 -1.2946 -1.0200 -1.0200 -0.3736 -0.3736 -0.3389 -0.3389 3.2124 3.2124 5.7778 5.7778 6.6745 6.6745 7.1115 7.1115 7.2044 7.2044 7.3161 7.3161 k = 0.0000 0.0000 0.1942 ( 6135 PWs) bands (ev): -21.7355 -21.7355 -21.7023 -21.7023 -19.4171 -19.4171 -19.3945 -19.3945 -14.3058 -14.3058 -13.0151 -13.0151 -12.3788 -12.3788 -10.3239 -10.3239 -8.2435 -8.2435 -7.4943 -7.4943 -7.4301 -7.4301 -6.3317 -6.3317 -5.7795 -5.7795 -5.6670 -5.6670 -5.5870 -5.5870 -5.3974 -5.3974 -4.3455 -4.3455 -4.2786 -4.2786 -3.9854 -3.9854 -3.8464 -3.8464 -3.5123 -3.5123 -2.6748 -2.6748 -2.4967 -2.4967 -1.3577 -1.3577 -1.2979 -1.2979 -1.0190 -1.0190 -0.3719 -0.3719 -0.3418 -0.3418 3.2136 3.2136 5.7726 5.7726 6.6996 6.6996 7.0842 7.0842 7.2106 7.2106 7.3019 7.3019 k = 0.0000 0.0000 0.2063 ( 6132 PWs) bands (ev): -21.7352 -21.7352 -21.7026 -21.7026 -19.4173 -19.4173 -19.3944 -19.3944 -14.3050 -14.3050 -13.0197 -13.0197 -12.3734 -12.3734 -10.3270 -10.3270 -8.2393 -8.2393 -7.4942 -7.4942 -7.4328 -7.4328 -6.3300 -6.3300 -5.7782 -5.7782 -5.6694 -5.6694 -5.5908 -5.5908 -5.3922 -5.3922 -4.3410 -4.3410 -4.2897 -4.2897 -3.9803 -3.9803 -3.8524 -3.8524 -3.5083 -3.5083 -2.6726 -2.6726 -2.4971 -2.4971 -1.3544 -1.3544 -1.3010 -1.3010 -1.0182 -1.0182 -0.3703 -0.3703 -0.3444 -0.3444 3.2146 3.2146 5.7684 5.7684 6.7229 6.7229 7.0576 7.0576 7.2193 7.2193 7.2883 7.2883 k = 0.0000 0.0000 0.2184 ( 6121 PWs) bands (ev): -21.7349 -21.7349 -21.7029 -21.7029 -19.4174 -19.4174 -19.3942 -19.3942 -14.3044 -14.3044 -13.0230 -13.0230 -12.3695 -12.3695 -10.3294 -10.3294 -8.2363 -8.2363 -7.4943 -7.4943 -7.4347 -7.4347 -6.3287 -6.3287 -5.7772 -5.7772 -5.6712 -5.6712 -5.5935 -5.5935 -5.3883 -5.3883 -4.3368 -4.3368 -4.2988 -4.2988 -3.9763 -3.9763 -3.8570 -3.8570 -3.5054 -3.5054 -2.6709 -2.6709 -2.4975 -2.4975 -1.3516 -1.3516 -1.3035 -1.3035 -1.0177 -1.0177 -0.3688 -0.3688 -0.3465 -0.3465 3.2154 3.2154 5.7654 5.7654 6.7428 6.7428 7.0350 7.0350 7.2292 7.2292 7.2754 7.2754 k = 0.0000 0.0000 0.2306 ( 6114 PWs) bands (ev): -21.7347 -21.7347 -21.7031 -21.7031 -19.4175 -19.4175 -19.3941 -19.3941 -14.3041 -14.3041 -13.0251 -13.0251 -12.3671 -12.3671 -10.3308 -10.3308 -8.2344 -8.2344 -7.4944 -7.4944 -7.4358 -7.4358 -6.3280 -6.3280 -5.7767 -5.7767 -5.6723 -5.6723 -5.5951 -5.5951 -5.3859 -5.3859 -4.3332 -4.3332 -4.3053 -4.3053 -3.9737 -3.9737 -3.8600 -3.8600 -3.5036 -3.5036 -2.6699 -2.6699 -2.4976 -2.4976 -1.3498 -1.3498 -1.3052 -1.3052 -1.0173 -1.0173 -0.3678 -0.3678 -0.3479 -0.3479 3.2158 3.2158 5.7635 5.7635 6.7566 6.7566 7.0193 7.0193 7.2398 7.2398 7.2631 7.2631 k = 0.0000 0.0000 0.2427 ( 6108 PWs) bands (ev): -21.7347 -21.7347 -21.7031 -21.7031 -19.4175 -19.4175 -19.3941 -19.3941 -14.3040 -14.3040 -13.0257 -13.0257 -12.3663 -12.3663 -10.3312 -10.3312 -8.2338 -8.2338 -7.4944 -7.4944 -7.4362 -7.4362 -6.3277 -6.3277 -5.7765 -5.7765 -5.6727 -5.6727 -5.5957 -5.5957 -5.3851 -5.3851 -4.3316 -4.3316 -4.3079 -4.3079 -3.9728 -3.9728 -3.8610 -3.8610 -3.5030 -3.5030 -2.6696 -2.6696 -2.4977 -2.4977 -1.3491 -1.3491 -1.3058 -1.3058 -1.0172 -1.0172 -0.3674 -0.3674 -0.3484 -0.3484 3.2160 3.2160 5.7629 5.7629 6.7617 6.7617 7.0136 7.0136 7.2495 7.2495 7.2528 7.2528 k = 0.0000-0.3560 0.1509 ( 6116 PWs) bands (ev): -21.7095 -21.7095 -21.7057 -21.7057 -19.4321 -19.4321 -19.4283 -19.4283 -14.3543 -14.3543 -12.9154 -12.9154 -12.3098 -12.3098 -10.3823 -10.3823 -8.2542 -8.2542 -7.7960 -7.7960 -7.1599 -7.1599 -6.1640 -6.1640 -5.8263 -5.8263 -5.7794 -5.7794 -5.4925 -5.4925 -5.1364 -5.1364 -4.7615 -4.7615 -4.3194 -4.3194 -3.9366 -3.9366 -3.8919 -3.8919 -3.6314 -3.6314 -2.6424 -2.6424 -2.1760 -2.1760 -1.4290 -1.4290 -1.3972 -1.3972 -0.9717 -0.9717 -0.5124 -0.5124 -0.2658 -0.2658 3.0512 3.0512 5.9270 5.9270 6.8131 6.8131 6.8965 6.8965 8.0284 8.0284 8.0447 8.0447 k = 0.0000-0.3449 0.1462 ( 6119 PWs) bands (ev): -21.7099 -21.7099 -21.7054 -21.7054 -19.4321 -19.4321 -19.4282 -19.4282 -14.3542 -14.3542 -12.9154 -12.9154 -12.3103 -12.3103 -10.3820 -10.3820 -8.2545 -8.2545 -7.7952 -7.7952 -7.1606 -7.1606 -6.1637 -6.1637 -5.8270 -5.8270 -5.7792 -5.7792 -5.4936 -5.4936 -5.1365 -5.1365 -4.7597 -4.7597 -4.3192 -4.3192 -3.9367 -3.9367 -3.8917 -3.8917 -3.6317 -3.6317 -2.6425 -2.6425 -2.1767 -2.1767 -1.4291 -1.4291 -1.3967 -1.3967 -0.9718 -0.9718 -0.5121 -0.5121 -0.2659 -0.2659 3.0515 3.0515 5.9268 5.9268 6.8132 6.8132 6.8966 6.8966 7.9896 7.9896 8.0746 8.0746 k = 0.0000-0.3338 0.1415 ( 6119 PWs) bands (ev): -21.7107 -21.7107 -21.7047 -21.7047 -19.4319 -19.4319 -19.4280 -19.4280 -14.3540 -14.3540 -12.9152 -12.9152 -12.3117 -12.3117 -10.3810 -10.3810 -8.2555 -8.2555 -7.7927 -7.7927 -7.1625 -7.1625 -6.1627 -6.1627 -5.8290 -5.8290 -5.7784 -5.7784 -5.4967 -5.4967 -5.1368 -5.1368 -4.7546 -4.7546 -4.3184 -4.3184 -3.9369 -3.9369 -3.8911 -3.8911 -3.6325 -3.6325 -2.6428 -2.6428 -2.1787 -2.1787 -1.4295 -1.4295 -1.3954 -1.3954 -0.9720 -0.9720 -0.5112 -0.5112 -0.2662 -0.2662 3.0526 3.0526 5.9263 5.9263 6.8137 6.8137 6.8968 6.8968 7.9387 7.9387 8.0996 8.0996 k = 0.0000-0.3226 0.1368 ( 6120 PWs) bands (ev): -21.7117 -21.7117 -21.7039 -21.7039 -19.4317 -19.4317 -19.4276 -19.4276 -14.3537 -14.3537 -12.9151 -12.9151 -12.3142 -12.3142 -10.3794 -10.3794 -8.2572 -8.2572 -7.7885 -7.7885 -7.1656 -7.1656 -6.1611 -6.1611 -5.8324 -5.8324 -5.7772 -5.7772 -5.5016 -5.5016 -5.1376 -5.1376 -4.7462 -4.7462 -4.3172 -4.3172 -3.9374 -3.9374 -3.8901 -3.8901 -3.6339 -3.6339 -2.6433 -2.6433 -2.1820 -2.1820 -1.4300 -1.4300 -1.3933 -1.3933 -0.9725 -0.9725 -0.5096 -0.5096 -0.2668 -0.2668 3.0544 3.0544 5.9255 5.9255 6.8145 6.8145 6.8972 6.8972 7.8849 7.8849 8.1135 8.1135 k = 0.0000-0.3115 0.1320 ( 6122 PWs) bands (ev): -21.7129 -21.7129 -21.7031 -21.7031 -19.4314 -19.4314 -19.4271 -19.4271 -14.3532 -14.3532 -12.9148 -12.9148 -12.3176 -12.3176 -10.3772 -10.3772 -8.2594 -8.2594 -7.7827 -7.7827 -7.1698 -7.1698 -6.1591 -6.1591 -5.8368 -5.8368 -5.7757 -5.7757 -5.5079 -5.5079 -5.1389 -5.1389 -4.7348 -4.7348 -4.3154 -4.3154 -3.9382 -3.9382 -3.8885 -3.8885 -3.6358 -3.6358 -2.6440 -2.6440 -2.1866 -2.1866 -1.4306 -1.4306 -1.3905 -1.3905 -0.9731 -0.9731 -0.5074 -0.5074 -0.2675 -0.2675 3.0568 3.0568 5.9244 5.9244 6.8158 6.8158 6.8974 6.8974 7.8302 7.8302 8.1196 8.1196 k = 0.0000-0.3004 0.1273 ( 6120 PWs) bands (ev): -21.7142 -21.7142 -21.7023 -21.7023 -19.4310 -19.4310 -19.4265 -19.4265 -14.3525 -14.3525 -12.9144 -12.9144 -12.3220 -12.3220 -10.3745 -10.3745 -8.2622 -8.2622 -7.7755 -7.7755 -7.1752 -7.1752 -6.1568 -6.1568 -5.8423 -5.8423 -5.7738 -5.7738 -5.5152 -5.5152 -5.1409 -5.1409 -4.7205 -4.7205 -4.3131 -4.3131 -3.9394 -3.9394 -3.8862 -3.8862 -3.6382 -3.6382 -2.6449 -2.6449 -2.1925 -2.1925 -1.4312 -1.4312 -1.3870 -1.3870 -0.9739 -0.9739 -0.5046 -0.5046 -0.2685 -0.2685 3.0599 3.0599 5.9230 5.9230 6.8174 6.8174 6.8975 6.8975 7.7755 7.7755 8.1207 8.1207 k = 0.0000-0.2893 0.1226 ( 6123 PWs) bands (ev): -21.7155 -21.7155 -21.7016 -21.7016 -19.4305 -19.4305 -19.4258 -19.4258 -14.3517 -14.3517 -12.9140 -12.9140 -12.3272 -12.3272 -10.3711 -10.3711 -8.2654 -8.2654 -7.7670 -7.7670 -7.1816 -7.1816 -6.1544 -6.1544 -5.8487 -5.8487 -5.7716 -5.7716 -5.5230 -5.5230 -5.1439 -5.1439 -4.7037 -4.7037 -4.3102 -4.3102 -3.9411 -3.9411 -3.8831 -3.8831 -3.6412 -3.6412 -2.6460 -2.6460 -2.1996 -2.1996 -1.4316 -1.4316 -1.3831 -1.3831 -0.9748 -0.9748 -0.5013 -0.5013 -0.2696 -0.2696 3.0637 3.0637 5.9213 5.9213 6.8195 6.8195 6.8970 6.8970 7.7217 7.7217 8.1185 8.1185 k = 0.0000-0.2781 0.1179 ( 6120 PWs) bands (ev): -21.7169 -21.7169 -21.7008 -21.7008 -19.4299 -19.4299 -19.4249 -19.4249 -14.3508 -14.3508 -12.9135 -12.9135 -12.3332 -12.3332 -10.3673 -10.3673 -8.2689 -8.2689 -7.7572 -7.7572 -7.1889 -7.1889 -6.1522 -6.1522 -5.8556 -5.8556 -5.7691 -5.7691 -5.5310 -5.5310 -5.1479 -5.1479 -4.6849 -4.6849 -4.3067 -4.3067 -3.9433 -3.9433 -3.8793 -3.8793 -3.6445 -3.6445 -2.6473 -2.6473 -2.2079 -2.2079 -1.4320 -1.4320 -1.3787 -1.3787 -0.9760 -0.9760 -0.4975 -0.4975 -0.2709 -0.2709 3.0680 3.0680 5.9193 5.9193 6.8221 6.8221 6.8958 6.8958 7.6695 7.6695 8.1137 8.1137 k = 0.0000-0.2670 0.1132 ( 6124 PWs) bands (ev): -21.7183 -21.7183 -21.7002 -21.7002 -19.4293 -19.4293 -19.4239 -19.4239 -14.3498 -14.3498 -12.9129 -12.9129 -12.3400 -12.3400 -10.3630 -10.3630 -8.2727 -8.2727 -7.7464 -7.7464 -7.1970 -7.1970 -6.1506 -6.1506 -5.8629 -5.8629 -5.7663 -5.7663 -5.5387 -5.5387 -5.1530 -5.1530 -4.6645 -4.6645 -4.3025 -4.3025 -3.9461 -3.9461 -3.8746 -3.8746 -3.6483 -3.6483 -2.6488 -2.6488 -2.2174 -2.2174 -1.4322 -1.4322 -1.3739 -1.3739 -0.9774 -0.9774 -0.4932 -0.4932 -0.2723 -0.2723 3.0728 3.0728 5.9171 5.9171 6.8252 6.8252 6.8934 6.8934 7.6196 7.6196 8.1067 8.1067 k = 0.0000-0.2559 0.1085 ( 6123 PWs) bands (ev): -21.7198 -21.7198 -21.6996 -21.6996 -19.4286 -19.4286 -19.4229 -19.4229 -14.3487 -14.3487 -12.9122 -12.9122 -12.3476 -12.3476 -10.3582 -10.3582 -8.2766 -8.2766 -7.7347 -7.7347 -7.2058 -7.2058 -6.1497 -6.1497 -5.8701 -5.8701 -5.7633 -5.7633 -5.5460 -5.5460 -5.1593 -5.1593 -4.6429 -4.6429 -4.2975 -4.2975 -3.9494 -3.9494 -3.8691 -3.8691 -3.6525 -3.6525 -2.6504 -2.6504 -2.2279 -2.2279 -1.4322 -1.4322 -1.3687 -1.3687 -0.9789 -0.9789 -0.4885 -0.4885 -0.2738 -0.2738 3.0781 3.0781 5.9147 5.9147 6.8287 6.8287 6.8895 6.8895 7.5725 7.5725 8.0976 8.0976 k = 0.0000-0.2448 0.1037 ( 6120 PWs) bands (ev): -21.7212 -21.7212 -21.6990 -21.6990 -19.4278 -19.4278 -19.4218 -19.4218 -14.3475 -14.3475 -12.9114 -12.9114 -12.3558 -12.3558 -10.3531 -10.3531 -8.2807 -8.2807 -7.7222 -7.7222 -7.2151 -7.2151 -6.1502 -6.1502 -5.8767 -5.8767 -5.7599 -5.7599 -5.5525 -5.5525 -5.1666 -5.1666 -4.6206 -4.6206 -4.2918 -4.2918 -3.9533 -3.9533 -3.8627 -3.8627 -3.6570 -3.6570 -2.6522 -2.6522 -2.2394 -2.2394 -1.4319 -1.4319 -1.3632 -1.3632 -0.9807 -0.9807 -0.4835 -0.4835 -0.2755 -0.2755 3.0838 3.0838 5.9121 5.9121 6.8326 6.8326 6.8838 6.8838 7.5290 7.5290 8.0863 8.0863 k = 0.0000-0.2336 0.0990 ( 6123 PWs) bands (ev): -21.7226 -21.7226 -21.6985 -21.6985 -19.4269 -19.4269 -19.4206 -19.4206 -14.3462 -14.3462 -12.9106 -12.9106 -12.3645 -12.3645 -10.3476 -10.3476 -8.2848 -8.2848 -7.7091 -7.7091 -7.2248 -7.2248 -6.1523 -6.1523 -5.8824 -5.8824 -5.7562 -5.7562 -5.5583 -5.5583 -5.1751 -5.1751 -4.5981 -4.5981 -4.2851 -4.2851 -3.9576 -3.9576 -3.8555 -3.8555 -3.6618 -3.6618 -2.6542 -2.6542 -2.2519 -2.2519 -1.4315 -1.4315 -1.3575 -1.3575 -0.9827 -0.9827 -0.4781 -0.4781 -0.2773 -0.2773 3.0899 3.0899 5.9094 5.9094 6.8362 6.8362 6.8766 6.8766 7.4897 7.4897 8.0729 8.0729 k = 0.0000-0.2225 0.0943 ( 6123 PWs) bands (ev): -21.7241 -21.7241 -21.6981 -21.6981 -19.4260 -19.4260 -19.4193 -19.4193 -14.3448 -14.3448 -12.9096 -12.9096 -12.3738 -12.3738 -10.3418 -10.3418 -8.2889 -8.2889 -7.6955 -7.6955 -7.2349 -7.2349 -6.1563 -6.1563 -5.8866 -5.8866 -5.7521 -5.7521 -5.5633 -5.5633 -5.1847 -5.1847 -4.5758 -4.5758 -4.2773 -4.2773 -3.9623 -3.9623 -3.8475 -3.8475 -3.6668 -3.6668 -2.6564 -2.6564 -2.2651 -2.2651 -1.4308 -1.4308 -1.3515 -1.3515 -0.9849 -0.9849 -0.4725 -0.4725 -0.2791 -0.2791 3.0963 3.0963 5.9066 5.9066 6.8376 6.8376 6.8692 6.8692 7.4551 7.4551 8.0573 8.0573 k = 0.0000-0.2114 0.0896 ( 6114 PWs) bands (ev): -21.7255 -21.7255 -21.6977 -21.6977 -19.4251 -19.4251 -19.4180 -19.4180 -14.3433 -14.3433 -12.9085 -12.9085 -12.3835 -12.3835 -10.3358 -10.3358 -8.2929 -8.2929 -7.6816 -7.6816 -7.2451 -7.2451 -6.1625 -6.1625 -5.8891 -5.8891 -5.7477 -5.7477 -5.5675 -5.5675 -5.1952 -5.1952 -4.5544 -4.5544 -4.2683 -4.2683 -3.9674 -3.9674 -3.8387 -3.8387 -3.6720 -3.6720 -2.6587 -2.6587 -2.2791 -2.2791 -1.4300 -1.4300 -1.3454 -1.3454 -0.9872 -0.9872 -0.4667 -0.4667 -0.2810 -0.2810 3.1030 3.1030 5.9037 5.9037 6.8319 6.8319 6.8665 6.8665 7.4258 7.4258 8.0394 8.0394 k = 0.0000-0.2003 0.0849 ( 6113 PWs) bands (ev): -21.7269 -21.7269 -21.6973 -21.6973 -19.4241 -19.4241 -19.4167 -19.4167 -14.3418 -14.3418 -12.9074 -12.9074 -12.3935 -12.3935 -10.3297 -10.3297 -8.2967 -8.2967 -7.6674 -7.6674 -7.2554 -7.2554 -6.1709 -6.1709 -5.8897 -5.8897 -5.7429 -5.7429 -5.5710 -5.5710 -5.2067 -5.2067 -4.5340 -4.5340 -4.2580 -4.2580 -3.9728 -3.9728 -3.8292 -3.8292 -3.6773 -3.6773 -2.6612 -2.6612 -2.2938 -2.2938 -1.4289 -1.4289 -1.3391 -1.3391 -0.9898 -0.9898 -0.4608 -0.4608 -0.2829 -0.2829 3.1098 3.1098 5.9008 5.9008 6.8172 6.8172 6.8702 6.8702 7.4017 7.4017 8.0193 8.0193 k = 0.0000-0.1891 0.0802 ( 6111 PWs) bands (ev): -21.7283 -21.7283 -21.6970 -21.6970 -19.4231 -19.4231 -19.4153 -19.4153 -14.3402 -14.3402 -12.9062 -12.9062 -12.4037 -12.4037 -10.3234 -10.3234 -8.3004 -8.3004 -7.6533 -7.6533 -7.2656 -7.2656 -6.1814 -6.1814 -5.8885 -5.8885 -5.7376 -5.7376 -5.5737 -5.5737 -5.2190 -5.2190 -4.5151 -4.5151 -4.2464 -4.2464 -3.9784 -3.9784 -3.8191 -3.8191 -3.6827 -3.6827 -2.6639 -2.6639 -2.3089 -2.3089 -1.4276 -1.4276 -1.3328 -1.3328 -0.9926 -0.9926 -0.4547 -0.4547 -0.2848 -0.2848 3.1167 3.1167 5.8979 5.8979 6.7965 6.7965 6.8775 6.8775 7.3829 7.3829 7.9970 7.9970 k = 0.0000-0.1780 0.0755 ( 6113 PWs) bands (ev): -21.7297 -21.7297 -21.6968 -21.6968 -19.4220 -19.4220 -19.4139 -19.4139 -14.3386 -14.3386 -12.9049 -12.9049 -12.4141 -12.4141 -10.3171 -10.3171 -8.3040 -8.3040 -7.6392 -7.6392 -7.2756 -7.2756 -6.1936 -6.1936 -5.8855 -5.8855 -5.7319 -5.7319 -5.5758 -5.5758 -5.2321 -5.2321 -4.4980 -4.4980 -4.2335 -4.2335 -3.9842 -3.9842 -3.8085 -3.8085 -3.6881 -3.6881 -2.6667 -2.6667 -2.3244 -2.3244 -1.4261 -1.4261 -1.3264 -1.3264 -0.9956 -0.9956 -0.4487 -0.4487 -0.2867 -0.2867 3.1236 3.1236 5.8950 5.8950 6.7721 6.7721 6.8867 6.8867 7.3692 7.3692 7.9726 7.9726 k = 0.0000-0.1669 0.0707 ( 6117 PWs) bands (ev): -21.7310 -21.7310 -21.6965 -21.6965 -19.4210 -19.4210 -19.4126 -19.4126 -14.3370 -14.3370 -12.9035 -12.9035 -12.4245 -12.4245 -10.3109 -10.3109 -8.3073 -8.3073 -7.6254 -7.6254 -7.2853 -7.2853 -6.2073 -6.2073 -5.8810 -5.8810 -5.7256 -5.7256 -5.5773 -5.5773 -5.2460 -5.2460 -4.4828 -4.4828 -4.2195 -4.2195 -3.9902 -3.9902 -3.7973 -3.7973 -3.6933 -3.6933 -2.6698 -2.6698 -2.3401 -2.3401 -1.4244 -1.4244 -1.3200 -1.3200 -0.9987 -0.9987 -0.4427 -0.4427 -0.2886 -0.2886 3.1305 3.1305 5.8922 5.8922 6.7449 6.7449 6.8973 6.8973 7.3598 7.3598 7.9462 7.9462 k = 0.0000-0.1558 0.0660 ( 6112 PWs) bands (ev): -21.7323 -21.7323 -21.6963 -21.6963 -19.4200 -19.4200 -19.4112 -19.4112 -14.3354 -14.3354 -12.9020 -12.9020 -12.4349 -12.4349 -10.3046 -10.3046 -8.3104 -8.3104 -7.6119 -7.6119 -7.2946 -7.2946 -6.2220 -6.2220 -5.8754 -5.8754 -5.7188 -5.7188 -5.5784 -5.5784 -5.2605 -5.2605 -4.4694 -4.4694 -4.2045 -4.2045 -3.9961 -3.9961 -3.7858 -3.7858 -3.6982 -3.6982 -2.6730 -2.6730 -2.3559 -2.3559 -1.4225 -1.4225 -1.3138 -1.3138 -1.0019 -1.0019 -0.4367 -0.4367 -0.2905 -0.2905 3.1373 3.1373 5.8895 5.8895 6.7160 6.7160 6.9090 6.9090 7.3543 7.3543 7.9181 7.9181 k = 0.0000-0.1446 0.0613 ( 6115 PWs) bands (ev): -21.7335 -21.7335 -21.6962 -21.6962 -19.4190 -19.4190 -19.4099 -19.4099 -14.3338 -14.3338 -12.9005 -12.9005 -12.4452 -12.4452 -10.2986 -10.2986 -8.3133 -8.3133 -7.5989 -7.5989 -7.3034 -7.3034 -6.2373 -6.2373 -5.8690 -5.8690 -5.7114 -5.7114 -5.5789 -5.5789 -5.2757 -5.2757 -4.4579 -4.4579 -4.1890 -4.1890 -4.0020 -4.0020 -3.7744 -3.7744 -3.7026 -3.7026 -2.6764 -2.6764 -2.3716 -2.3716 -1.4206 -1.4206 -1.3077 -1.3077 -1.0052 -1.0052 -0.4309 -0.4309 -0.2923 -0.2923 3.1439 3.1439 5.8869 5.8869 6.6861 6.6861 6.9217 6.9217 7.3521 7.3521 7.8885 7.8885 k = 0.0000-0.1335 0.0566 ( 6120 PWs) bands (ev): -21.7347 -21.7347 -21.6961 -21.6961 -19.4180 -19.4180 -19.4086 -19.4086 -14.3323 -14.3323 -12.8990 -12.8990 -12.4553 -12.4553 -10.2927 -10.2927 -8.3159 -8.3159 -7.5865 -7.5865 -7.3117 -7.3117 -6.2529 -6.2529 -5.8621 -5.8621 -5.7034 -5.7034 -5.5792 -5.5792 -5.2913 -5.2913 -4.4480 -4.4480 -4.1732 -4.1732 -4.0077 -4.0077 -3.7633 -3.7633 -3.7061 -3.7061 -2.6801 -2.6801 -2.3870 -2.3870 -1.4185 -1.4185 -1.3017 -1.3017 -1.0086 -1.0086 -0.4252 -0.4252 -0.2940 -0.2940 3.1502 3.1502 5.8845 5.8845 6.6560 6.6560 6.9354 6.9354 7.3524 7.3524 7.8576 7.8576 k = 0.0000-0.1224 0.0519 ( 6120 PWs) bands (ev): -21.7358 -21.7358 -21.6959 -21.6959 -19.4171 -19.4171 -19.4074 -19.4074 -14.3308 -14.3308 -12.8974 -12.8974 -12.4650 -12.4650 -10.2871 -10.2871 -8.3183 -8.3183 -7.5749 -7.5749 -7.3192 -7.3192 -6.2684 -6.2684 -5.8551 -5.8551 -5.6948 -5.6948 -5.5790 -5.5790 -5.3074 -5.3074 -4.4396 -4.4396 -4.1577 -4.1577 -4.0131 -4.0131 -3.7537 -3.7537 -3.7078 -3.7078 -2.6839 -2.6839 -2.4020 -2.4020 -1.4164 -1.4164 -1.2960 -1.2960 -1.0120 -1.0120 -0.4198 -0.4198 -0.2957 -0.2957 3.1563 3.1563 5.8822 5.8822 6.6264 6.6264 6.9499 6.9499 7.3548 7.3548 7.8258 7.8258 k = 0.0000-0.1113 0.0472 ( 6126 PWs) bands (ev): -21.7368 -21.7368 -21.6959 -21.6959 -19.4162 -19.4162 -19.4063 -19.4063 -14.3294 -14.3294 -12.8958 -12.8958 -12.4743 -12.4743 -10.2817 -10.2817 -8.3205 -8.3205 -7.5641 -7.5641 -7.3260 -7.3260 -6.2834 -6.2834 -5.8481 -5.8481 -5.6856 -5.6856 -5.5785 -5.5785 -5.3238 -5.3238 -4.4325 -4.4325 -4.1427 -4.1427 -4.0181 -4.0181 -3.7469 -3.7469 -3.7063 -3.7063 -2.6879 -2.6879 -2.4163 -2.4163 -1.4142 -1.4142 -1.2906 -1.2906 -1.0154 -1.0154 -0.4146 -0.4146 -0.2973 -0.2973 3.1621 3.1621 5.8801 5.8801 6.5977 6.5977 6.9651 6.9651 7.3589 7.3589 7.7933 7.7933 k = 0.0000-0.1001 0.0424 ( 6120 PWs) bands (ev): -21.7378 -21.7378 -21.6958 -21.6958 -19.4154 -19.4154 -19.4052 -19.4052 -14.3281 -14.3281 -12.8942 -12.8942 -12.4830 -12.4830 -10.2767 -10.2767 -8.3224 -8.3224 -7.5542 -7.5542 -7.3321 -7.3321 -6.2978 -6.2978 -5.8413 -5.8413 -5.6758 -5.6758 -5.5777 -5.5777 -5.3405 -5.3405 -4.4265 -4.4265 -4.1288 -4.1288 -4.0225 -4.0225 -3.7441 -3.7441 -3.7006 -3.7006 -2.6920 -2.6920 -2.4298 -2.4298 -1.4120 -1.4120 -1.2856 -1.2856 -1.0186 -1.0186 -0.4097 -0.4097 -0.2988 -0.2988 3.1674 3.1674 5.8783 5.8783 6.5705 6.5705 6.9807 6.9807 7.3642 7.3642 7.7606 7.7606 k = 0.0000-0.0890 0.0377 ( 6122 PWs) bands (ev): -21.7386 -21.7386 -21.6957 -21.6957 -19.4146 -19.4146 -19.4042 -19.4042 -14.3268 -14.3268 -12.8927 -12.8927 -12.4912 -12.4912 -10.2721 -10.2721 -8.3242 -8.3242 -7.5454 -7.5454 -7.3373 -7.3373 -6.3113 -6.3113 -5.8350 -5.8350 -5.6656 -5.6656 -5.5764 -5.5764 -5.3573 -5.3573 -4.4215 -4.4215 -4.1163 -4.1163 -4.0262 -4.0262 -3.7444 -3.7444 -3.6919 -3.6919 -2.6962 -2.6962 -2.4423 -2.4423 -1.4099 -1.4099 -1.2809 -1.2809 -1.0218 -1.0218 -0.4052 -0.4052 -0.3002 -0.3002 3.1724 3.1724 5.8766 5.8766 6.5451 6.5451 6.9966 6.9966 7.3705 7.3705 7.7280 7.7280 k = 0.0000-0.0779 0.0330 ( 6117 PWs) bands (ev): -21.7394 -21.7394 -21.6957 -21.6957 -19.4139 -19.4139 -19.4033 -19.4033 -14.3257 -14.3257 -12.8913 -12.8913 -12.4986 -12.4986 -10.2679 -10.2679 -8.3257 -8.3257 -7.5377 -7.5377 -7.3417 -7.3417 -6.3237 -6.3237 -5.8293 -5.8293 -5.6553 -5.6553 -5.5746 -5.5746 -5.3741 -5.3741 -4.4173 -4.4173 -4.1055 -4.1055 -4.0290 -4.0290 -3.7463 -3.7463 -3.6818 -3.6818 -2.7004 -2.7004 -2.4536 -2.4536 -1.4079 -1.4079 -1.2766 -1.2766 -1.0247 -1.0247 -0.4011 -0.4011 -0.3016 -0.3016 3.1768 3.1768 5.8752 5.8752 6.5220 6.5220 7.0125 7.0125 7.3777 7.3777 7.6960 7.6960 k = 0.0000-0.0668 0.0283 ( 6119 PWs) bands (ev): -21.7401 -21.7401 -21.6957 -21.6957 -19.4133 -19.4133 -19.4025 -19.4025 -14.3247 -14.3247 -12.8899 -12.8899 -12.5053 -12.5053 -10.2643 -10.2643 -8.3269 -8.3269 -7.5311 -7.5311 -7.3452 -7.3452 -6.3348 -6.3348 -5.8242 -5.8242 -5.6451 -5.6451 -5.5722 -5.5722 -5.3907 -5.3907 -4.4138 -4.4138 -4.0968 -4.0968 -4.0306 -4.0306 -3.7488 -3.7488 -3.6716 -3.6716 -2.7045 -2.7045 -2.4636 -2.4636 -1.4061 -1.4061 -1.2729 -1.2729 -1.0274 -1.0274 -0.3974 -0.3974 -0.3028 -0.3028 3.1807 3.1807 5.8740 5.8740 6.5014 6.5014 7.0279 7.0279 7.3855 7.3855 7.6651 7.6651 k = 0.0000-0.0556 0.0236 ( 6124 PWs) bands (ev): -21.7407 -21.7407 -21.6957 -21.6957 -19.4127 -19.4127 -19.4018 -19.4018 -14.3238 -14.3238 -12.8887 -12.8887 -12.5111 -12.5111 -10.2611 -10.2611 -8.3280 -8.3280 -7.5256 -7.5256 -7.3481 -7.3481 -6.3445 -6.3445 -5.8199 -5.8199 -5.6355 -5.6355 -5.5689 -5.5689 -5.4069 -5.4069 -4.4109 -4.4109 -4.0903 -4.0903 -4.0310 -4.0310 -3.7513 -3.7513 -3.6621 -3.6621 -2.7083 -2.7083 -2.4722 -2.4722 -1.4044 -1.4044 -1.2697 -1.2697 -1.0298 -1.0298 -0.3942 -0.3942 -0.3038 -0.3038 3.1841 3.1841 5.8730 5.8730 6.4836 6.4836 7.0424 7.0424 7.3938 7.3938 7.6357 7.6357 k = 0.0000-0.0445 0.0189 ( 6127 PWs) bands (ev): -21.7412 -21.7412 -21.6957 -21.6957 -19.4123 -19.4123 -19.4012 -19.4012 -14.3231 -14.3231 -12.8877 -12.8877 -12.5159 -12.5159 -10.2584 -10.2584 -8.3289 -8.3289 -7.5212 -7.5212 -7.3502 -7.3502 -6.3526 -6.3526 -5.8163 -5.8163 -5.6271 -5.6271 -5.5645 -5.5645 -5.4224 -5.4224 -4.4087 -4.4087 -4.0859 -4.0859 -4.0304 -4.0304 -3.7536 -3.7536 -3.6536 -3.6536 -2.7118 -2.7118 -2.4793 -2.4793 -1.4030 -1.4030 -1.2670 -1.2670 -1.0318 -1.0318 -0.3915 -0.3915 -0.3047 -0.3047 3.1869 3.1869 5.8722 5.8722 6.4687 6.4687 7.0555 7.0555 7.4025 7.4025 7.6085 7.6085 k = 0.0000-0.0334 0.0141 ( 6134 PWs) bands (ev): -21.7415 -21.7415 -21.6957 -21.6957 -19.4119 -19.4119 -19.4008 -19.4008 -14.3225 -14.3225 -12.8869 -12.8869 -12.5198 -12.5198 -10.2564 -10.2564 -8.3296 -8.3296 -7.5179 -7.5179 -7.3517 -7.3517 -6.3590 -6.3590 -5.8135 -5.8135 -5.6204 -5.6204 -5.5591 -5.5591 -5.4366 -5.4366 -4.4070 -4.4070 -4.0832 -4.0832 -4.0292 -4.0292 -3.7555 -3.7555 -3.6467 -3.6467 -2.7147 -2.7147 -2.4849 -2.4849 -1.4018 -1.4018 -1.2649 -1.2649 -1.0335 -1.0335 -0.3893 -0.3893 -0.3055 -0.3055 3.1891 3.1891 5.8716 5.8716 6.4570 6.4570 7.0665 7.0665 7.4112 7.4112 7.5845 7.5845 k = 0.0000-0.0223 0.0094 ( 6137 PWs) bands (ev): -21.7418 -21.7418 -21.6956 -21.6956 -19.4117 -19.4117 -19.4004 -19.4004 -14.3221 -14.3221 -12.8862 -12.8862 -12.5225 -12.5225 -10.2549 -10.2549 -8.3300 -8.3300 -7.5155 -7.5155 -7.3527 -7.3527 -6.3636 -6.3636 -5.8115 -5.8115 -5.6156 -5.6156 -5.5533 -5.5533 -5.4486 -5.4486 -4.4058 -4.4058 -4.0817 -4.0817 -4.0278 -4.0278 -3.7570 -3.7570 -3.6415 -3.6415 -2.7169 -2.7169 -2.4889 -2.4889 -1.4010 -1.4010 -1.2633 -1.2633 -1.0346 -1.0346 -0.3878 -0.3878 -0.3060 -0.3060 3.1907 3.1907 5.8712 5.8712 6.4485 6.4485 7.0750 7.0750 7.4193 7.4193 7.5650 7.5650 k = 0.0000-0.0111 0.0047 ( 6136 PWs) bands (ev): -21.7420 -21.7420 -21.6956 -21.6956 -19.4115 -19.4115 -19.4002 -19.4002 -14.3218 -14.3218 -12.8859 -12.8859 -12.5242 -12.5242 -10.2539 -10.2539 -8.3303 -8.3303 -7.5142 -7.5142 -7.3533 -7.3533 -6.3664 -6.3664 -5.8103 -5.8103 -5.6128 -5.6128 -5.5486 -5.5486 -5.4570 -5.4570 -4.4051 -4.4051 -4.0810 -4.0810 -4.0268 -4.0268 -3.7578 -3.7578 -3.6383 -3.6383 -2.7183 -2.7183 -2.4913 -2.4913 -1.4005 -1.4005 -1.2624 -1.2624 -1.0354 -1.0354 -0.3868 -0.3868 -0.3063 -0.3063 3.1916 3.1916 5.8709 5.8709 6.4434 6.4434 7.0803 7.0803 7.4254 7.4254 7.5518 7.5518 k = 0.0000 0.0000 0.0000 ( 6131 PWs) bands (ev): -21.7420 -21.7420 -21.6956 -21.6956 -19.4115 -19.4115 -19.4002 -19.4002 -14.3217 -14.3217 -12.8857 -12.8857 -12.5248 -12.5248 -10.2536 -10.2536 -8.3304 -8.3304 -7.5137 -7.5137 -7.3535 -7.3535 -6.3673 -6.3673 -5.8099 -5.8099 -5.6119 -5.6119 -5.5466 -5.5466 -5.4601 -5.4601 -4.4048 -4.4048 -4.0808 -4.0808 -4.0264 -4.0264 -3.7581 -3.7581 -3.6372 -3.6372 -2.7188 -2.7188 -2.4921 -2.4921 -1.4003 -1.4003 -1.2621 -1.2621 -1.0356 -1.0356 -0.3865 -0.3865 -0.3064 -0.3064 3.1919 3.1919 5.8708 5.8708 6.4417 6.4417 7.0821 7.0821 7.4278 7.4278 7.5470 7.5470 Writing output data file H4C3O2.save init_run : 0.23s CPU 0.73s WALL ( 1 calls) electrons : 197.49s CPU 201.69s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.16s WALL ( 1 calls) potinit : 0.03s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 197.48s CPU 201.68s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.01s CPU 0.02s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.09s WALL ( 280 calls) cegterg : 182.05s CPU 184.27s WALL ( 334 calls) Called by sum_band: Called by *egterg: h_psi : 86.52s CPU 88.08s WALL ( 5911 calls) s_psi : 4.56s CPU 4.76s WALL ( 5911 calls) g_psi : 0.32s CPU 0.36s WALL ( 5297 calls) cdiaghg : 74.77s CPU 75.28s WALL ( 5577 calls) cegterg:over : 11.13s CPU 11.16s WALL ( 5297 calls) cegterg:upda : 9.51s CPU 9.73s WALL ( 5297 calls) cegterg:last : 4.46s CPU 4.46s WALL ( 894 calls) cdiaghg:chol : 4.40s CPU 4.37s WALL ( 5577 calls) cdiaghg:inve : 3.32s CPU 3.27s WALL ( 5577 calls) cdiaghg:para : 5.29s CPU 5.57s WALL ( 11154 calls) Called by h_psi: h_psi:vloc : 73.32s CPU 74.69s WALL ( 5911 calls) h_psi:vnl : 12.79s CPU 12.97s WALL ( 5911 calls) add_vuspsi : 5.42s CPU 5.45s WALL ( 5911 calls) General routines calbec : 7.34s CPU 7.51s WALL ( 5911 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 66.33s CPU 67.90s WALL ( 867948 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.22s CPU 0.32s WALL ( 560 calls) Parallel routines fft_scatter : 29.60s CPU 30.41s WALL ( 867971 calls) PWSCF : 3m38.11s CPU 4m 7.81s WALL This run was terminated on: 16: 1:10 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=