Program PWSCF v.5.4.0 starts on 21Mar2017 at 21:49: 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 & OpenMP), running on 144 processor cores Number of MPI processes: 72 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 72 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: ./CdHgS4.save/ file Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S renormalized file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 88 23 6 7290 1004 150 Max 89 24 7 7297 1035 159 Sum 6363 1717 491 525089 73209 11141 bravais-lattice index = 14 lattice parameter (alat) = 15.8762 a.u. unit-cell volume = 1925.4763 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 43.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 15.876221 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.066408 celldm(5)= -0.066408 celldm(6)= -0.867184 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.867184 0.497987 0.000000 ) a(3) = ( -0.066408 -0.248994 0.966226 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 1.741379 0.517477 ) b(2) = ( 0.000000 2.008084 0.517477 ) b(3) = ( 0.000000 0.000000 1.034955 ) PseudoPot. # 1 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 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 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Hg read from file: /users/gautes/Pseudo/Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: a7fd98bfb2640362c6e2ed76594f1960 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Cd read from file: /users/gautes/Pseudo/Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1d41bce1441572f114805845d9d822b0 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1239 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) Hg 12.00 200.59000 Hg( 1.00) Cd 12.00 112.41100 Cd( 1.00) No symmetry found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E Cartesian axes number of k points= 238 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042017 k( 2) = ( 0.0000000 0.0000000 0.0258739), wk = 0.0042017 k( 3) = ( 0.0000000 0.0000000 0.0517477), wk = 0.0042017 k( 4) = ( 0.0000000 0.0000000 0.0776216), wk = 0.0042017 k( 5) = ( 0.0000000 0.0000000 0.1034955), wk = 0.0042017 k( 6) = ( 0.0000000 0.0000000 0.1293694), wk = 0.0042017 k( 7) = ( 0.0000000 0.0000000 0.1552432), wk = 0.0042017 k( 8) = ( 0.0000000 0.0000000 0.1811171), wk = 0.0042017 k( 9) = ( 0.0000000 0.0000000 0.2069910), wk = 0.0042017 k( 10) = ( 0.0000000 0.0000000 0.2328648), wk = 0.0042017 k( 11) = ( 0.0000000 0.0000000 0.2587387), wk = 0.0042017 k( 12) = ( 0.0000000 0.0000000 0.2846126), wk = 0.0042017 k( 13) = ( 0.0000000 0.0000000 0.3104865), wk = 0.0042017 k( 14) = ( 0.0000000 0.0000000 0.3363603), wk = 0.0042017 k( 15) = ( 0.0000000 0.0000000 0.3622342), wk = 0.0042017 k( 16) = ( 0.0000000 0.0000000 0.3881081), wk = 0.0042017 k( 17) = ( 0.0000000 0.0000000 0.4139819), wk = 0.0042017 k( 18) = ( 0.0000000 0.0000000 0.4398558), wk = 0.0042017 k( 19) = ( 0.0000000 0.0000000 0.4657297), wk = 0.0042017 k( 20) = ( 0.0000000 0.0000000 0.4916035), wk = 0.0042017 k( 21) = ( 0.0000000 0.0000000 0.5174774), wk = 0.0042017 k( 22) = ( 0.0000000 0.0000000 0.5174774), wk = 0.0042017 k( 23) = ( -0.0250000 0.0066676 0.5174774), wk = 0.0042017 k( 24) = ( -0.0500000 0.0133352 0.5174774), wk = 0.0042017 k( 25) = ( -0.0750000 0.0200029 0.5174774), wk = 0.0042017 k( 26) = ( -0.1000000 0.0266705 0.5174774), wk = 0.0042017 k( 27) = ( -0.1250000 0.0333381 0.5174774), wk = 0.0042017 k( 28) = ( -0.1500000 0.0400057 0.5174774), wk = 0.0042017 k( 29) = ( -0.1750000 0.0466734 0.5174774), wk = 0.0042017 k( 30) = ( -0.2000000 0.0533410 0.5174774), wk = 0.0042017 k( 31) = ( -0.2250000 0.0600086 0.5174774), wk = 0.0042017 k( 32) = ( -0.2500000 0.0666762 0.5174774), wk = 0.0042017 k( 33) = ( -0.2750000 0.0733439 0.5174774), wk = 0.0042017 k( 34) = ( -0.3000000 0.0800115 0.5174774), wk = 0.0042017 k( 35) = ( -0.3250000 0.0866791 0.5174774), wk = 0.0042017 k( 36) = ( -0.3500000 0.0933467 0.5174774), wk = 0.0042017 k( 37) = ( -0.3750000 0.1000143 0.5174774), wk = 0.0042017 k( 38) = ( -0.4000000 0.1066820 0.5174774), wk = 0.0042017 k( 39) = ( -0.4250000 0.1133496 0.5174774), wk = 0.0042017 k( 40) = ( -0.4500000 0.1200172 0.5174774), wk = 0.0042017 k( 41) = ( -0.4750000 0.1266848 0.5174774), wk = 0.0042017 k( 42) = ( -0.5000000 0.1333525 0.5174774), wk = 0.0042017 k( 43) = ( -0.5000000 0.1333525 0.5174774), wk = 0.0042017 k( 44) = ( -0.4821429 0.1285899 0.4989961), wk = 0.0042017 k( 45) = ( -0.4642857 0.1238273 0.4805147), wk = 0.0042017 k( 46) = ( -0.4464286 0.1190647 0.4620334), wk = 0.0042017 k( 47) = ( -0.4285714 0.1143021 0.4435521), wk = 0.0042017 k( 48) = ( -0.4107143 0.1095395 0.4250707), wk = 0.0042017 k( 49) = ( -0.3928571 0.1047769 0.4065894), wk = 0.0042017 k( 50) = ( -0.3750000 0.1000143 0.3881081), wk = 0.0042017 k( 51) = ( -0.3571429 0.0952518 0.3696267), wk = 0.0042017 k( 52) = ( -0.3392857 0.0904892 0.3511454), wk = 0.0042017 k( 53) = ( -0.3214286 0.0857266 0.3326641), wk = 0.0042017 k( 54) = ( -0.3035714 0.0809640 0.3141827), wk = 0.0042017 k( 55) = ( -0.2857143 0.0762014 0.2957014), wk = 0.0042017 k( 56) = ( -0.2678571 0.0714388 0.2772200), wk = 0.0042017 k( 57) = ( -0.2500000 0.0666762 0.2587387), wk = 0.0042017 k( 58) = ( -0.2321429 0.0619136 0.2402574), wk = 0.0042017 k( 59) = ( -0.2142857 0.0571511 0.2217760), wk = 0.0042017 k( 60) = ( -0.1964286 0.0523885 0.2032947), wk = 0.0042017 k( 61) = ( -0.1785714 0.0476259 0.1848134), wk = 0.0042017 k( 62) = ( -0.1607143 0.0428633 0.1663320), wk = 0.0042017 k( 63) = ( -0.1428571 0.0381007 0.1478507), wk = 0.0042017 k( 64) = ( -0.1250000 0.0333381 0.1293694), wk = 0.0042017 k( 65) = ( -0.1071429 0.0285755 0.1108880), wk = 0.0042017 k( 66) = ( -0.0892857 0.0238129 0.0924067), wk = 0.0042017 k( 67) = ( -0.0714286 0.0190504 0.0739253), wk = 0.0042017 k( 68) = ( -0.0535714 0.0142878 0.0554440), wk = 0.0042017 k( 69) = ( -0.0357143 0.0095252 0.0369627), wk = 0.0042017 k( 70) = ( -0.0178571 0.0047626 0.0184813), wk = 0.0042017 k( 71) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042017 k( 72) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042017 k( 73) = ( 0.0067992 0.0254933 -0.0000000), wk = 0.0042017 k( 74) = ( 0.0135984 0.0509866 -0.0000000), wk = 0.0042017 k( 75) = ( 0.0203976 0.0764798 0.0000000), wk = 0.0042017 k( 76) = ( 0.0271967 0.1019732 -0.0000000), wk = 0.0042017 k( 77) = ( 0.0339959 0.1274664 -0.0000000), wk = 0.0042017 k( 78) = ( 0.0407951 0.1529597 0.0000000), wk = 0.0042017 k( 79) = ( 0.0475943 0.1784530 0.0000000), wk = 0.0042017 k( 80) = ( 0.0543935 0.2039463 -0.0000000), wk = 0.0042017 k( 81) = ( 0.0611927 0.2294396 0.0000000), wk = 0.0042017 k( 82) = ( 0.0679919 0.2549329 0.0000000), wk = 0.0042017 k( 83) = ( 0.0747910 0.2804261 -0.0000000), wk = 0.0042017 k( 84) = ( 0.0815902 0.3059195 0.0000000), wk = 0.0042017 k( 85) = ( 0.0883894 0.3314127 0.0000000), wk = 0.0042017 k( 86) = ( 0.0951886 0.3569060 0.0000000), wk = 0.0042017 k( 87) = ( 0.1019878 0.3823993 -0.0000000), wk = 0.0042017 k( 88) = ( 0.1087869 0.4078926 -0.0000000), wk = 0.0042017 k( 89) = ( 0.1155861 0.4333859 -0.0000000), wk = 0.0042017 k( 90) = ( 0.1223853 0.4588791 0.0000000), wk = 0.0042017 k( 91) = ( 0.1291845 0.4843724 0.0000000), wk = 0.0042017 k( 92) = ( 0.1359837 0.5098657 0.0000000), wk = 0.0042017 k( 93) = ( 0.1427829 0.5353590 0.0000000), wk = 0.0042017 k( 94) = ( 0.1495821 0.5608523 -0.0000000), wk = 0.0042017 k( 95) = ( 0.1563812 0.5863456 0.0000000), wk = 0.0042017 k( 96) = ( 0.1631804 0.6118389 0.0000000), wk = 0.0042017 k( 97) = ( 0.1699796 0.6373322 0.0000000), wk = 0.0042017 k( 98) = ( 0.1767788 0.6628254 0.0000000), wk = 0.0042017 k( 99) = ( 0.1835780 0.6883187 0.0000000), wk = 0.0042017 k( 100) = ( 0.1903772 0.7138120 -0.0000000), wk = 0.0042017 k( 101) = ( 0.1971764 0.7393053 -0.0000000), wk = 0.0042017 k( 102) = ( 0.2039755 0.7647986 -0.0000000), wk = 0.0042017 k( 103) = ( 0.2107747 0.7902919 -0.0000000), wk = 0.0042017 k( 104) = ( 0.2175739 0.8157852 0.0000000), wk = 0.0042017 k( 105) = ( 0.2243731 0.8412784 -0.0000000), wk = 0.0042017 k( 106) = ( 0.2311723 0.8667717 -0.0000000), wk = 0.0042017 k( 107) = ( 0.2379715 0.8922650 -0.0000000), wk = 0.0042017 k( 108) = ( 0.2447707 0.9177583 0.0000000), wk = 0.0042017 k( 109) = ( 0.2515698 0.9432516 -0.0000000), wk = 0.0042017 k( 110) = ( 0.2583690 0.9687449 0.0000000), wk = 0.0042017 k( 111) = ( 0.2651682 0.9942382 0.0000000), wk = 0.0042017 k( 112) = ( 0.2719674 1.0197315 0.0000000), wk = 0.0042017 k( 113) = ( 0.2787666 1.0452247 0.0000000), wk = 0.0042017 k( 114) = ( 0.2855658 1.0707180 0.0000000), wk = 0.0042017 k( 115) = ( 0.2855658 1.0707180 0.0000000), wk = 0.0042017 k( 116) = ( 0.2838721 1.0643679 0.0246418), wk = 0.0042017 k( 117) = ( 0.2821785 1.0580178 0.0492836), wk = 0.0042017 k( 118) = ( 0.2804849 1.0516677 0.0739253), wk = 0.0042017 k( 119) = ( 0.2787913 1.0453175 0.0985671), wk = 0.0042017 k( 120) = ( 0.2770977 1.0389675 0.1232089), wk = 0.0042017 k( 121) = ( 0.2754041 1.0326173 0.1478507), wk = 0.0042017 k( 122) = ( 0.2737105 1.0262672 0.1724925), wk = 0.0042017 k( 123) = ( 0.2720169 1.0199171 0.1971343), wk = 0.0042017 k( 124) = ( 0.2703233 1.0135670 0.2217760), wk = 0.0042017 k( 125) = ( 0.2686297 1.0072169 0.2464178), wk = 0.0042017 k( 126) = ( 0.2669361 1.0008667 0.2710596), wk = 0.0042017 k( 127) = ( 0.2652425 0.9945166 0.2957014), wk = 0.0042017 k( 128) = ( 0.2635489 0.9881665 0.3203432), wk = 0.0042017 k( 129) = ( 0.2618552 0.9818164 0.3449849), wk = 0.0042017 k( 130) = ( 0.2601616 0.9754663 0.3696267), wk = 0.0042017 k( 131) = ( 0.2584680 0.9691162 0.3942685), wk = 0.0042017 k( 132) = ( 0.2567744 0.9627660 0.4189103), wk = 0.0042017 k( 133) = ( 0.2550808 0.9564159 0.4435521), wk = 0.0042017 k( 134) = ( 0.2533872 0.9500658 0.4681939), wk = 0.0042017 k( 135) = ( 0.2516936 0.9437157 0.4928356), wk = 0.0042017 k( 136) = ( 0.2500000 0.9373656 0.5174774), wk = 0.0042017 k( 137) = ( 0.2500000 0.9373656 0.5174774), wk = 0.0042017 k( 138) = ( 0.2321429 0.9421282 0.4989961), wk = 0.0042017 k( 139) = ( 0.2142857 0.9468907 0.4805147), wk = 0.0042017 k( 140) = ( 0.1964286 0.9516533 0.4620334), wk = 0.0042017 k( 141) = ( 0.1785714 0.9564159 0.4435521), wk = 0.0042017 k( 142) = ( 0.1607143 0.9611785 0.4250707), wk = 0.0042017 k( 143) = ( 0.1428571 0.9659411 0.4065894), wk = 0.0042017 k( 144) = ( 0.1250000 0.9707037 0.3881081), wk = 0.0042017 k( 145) = ( 0.1071429 0.9754663 0.3696267), wk = 0.0042017 k( 146) = ( 0.0892857 0.9802289 0.3511454), wk = 0.0042017 k( 147) = ( 0.0714286 0.9849914 0.3326641), wk = 0.0042017 k( 148) = ( 0.0535714 0.9897540 0.3141827), wk = 0.0042017 k( 149) = ( 0.0357143 0.9945166 0.2957014), wk = 0.0042017 k( 150) = ( 0.0178571 0.9992792 0.2772200), wk = 0.0042017 k( 151) = ( 0.0000000 1.0040418 0.2587387), wk = 0.0042017 k( 152) = ( 0.0000000 1.0040418 0.2587387), wk = 0.0042017 k( 153) = ( -0.0190377 0.9995967 0.2759880), wk = 0.0042017 k( 154) = ( -0.0380754 0.9951516 0.2932372), wk = 0.0042017 k( 155) = ( -0.0571132 0.9907066 0.3104865), wk = 0.0042017 k( 156) = ( -0.0761509 0.9862615 0.3277357), wk = 0.0042017 k( 157) = ( -0.0951886 0.9818164 0.3449849), wk = 0.0042017 k( 158) = ( -0.1142263 0.9773713 0.3622342), wk = 0.0042017 k( 159) = ( -0.1332640 0.9729262 0.3794834), wk = 0.0042017 k( 160) = ( -0.1523017 0.9684811 0.3967327), wk = 0.0042017 k( 161) = ( -0.1713395 0.9640361 0.4139819), wk = 0.0042017 k( 162) = ( -0.1903772 0.9595910 0.4312312), wk = 0.0042017 k( 163) = ( -0.2094149 0.9551459 0.4484804), wk = 0.0042017 k( 164) = ( -0.2284526 0.9507008 0.4657297), wk = 0.0042017 k( 165) = ( -0.2474903 0.9462557 0.4829789), wk = 0.0042017 k( 166) = ( -0.2665280 0.9418107 0.5002282), wk = 0.0042017 k( 167) = ( -0.2855658 0.9373656 0.5174774), wk = 0.0042017 k( 168) = ( -0.2855658 0.9373656 0.5174774), wk = 0.0042017 k( 169) = ( -0.2922668 0.9122402 0.5174774), wk = 0.0042017 k( 170) = ( -0.2989679 0.8871148 0.5174774), wk = 0.0042017 k( 171) = ( -0.3056690 0.8619894 0.5174774), wk = 0.0042017 k( 172) = ( -0.3123700 0.8368639 0.5174774), wk = 0.0042017 k( 173) = ( -0.3190711 0.8117385 0.5174774), wk = 0.0042017 k( 174) = ( -0.3257722 0.7866131 0.5174774), wk = 0.0042017 k( 175) = ( -0.3324732 0.7614877 0.5174774), wk = 0.0042017 k( 176) = ( -0.3391743 0.7363623 0.5174774), wk = 0.0042017 k( 177) = ( -0.3458754 0.7112369 0.5174774), wk = 0.0042017 k( 178) = ( -0.3525765 0.6861115 0.5174774), wk = 0.0042017 k( 179) = ( -0.3592775 0.6609860 0.5174774), wk = 0.0042017 k( 180) = ( -0.3659786 0.6358606 0.5174774), wk = 0.0042017 k( 181) = ( -0.3726797 0.6107352 0.5174774), wk = 0.0042017 k( 182) = ( -0.3793807 0.5856098 0.5174774), wk = 0.0042017 k( 183) = ( -0.3860818 0.5604844 0.5174774), wk = 0.0042017 k( 184) = ( -0.3927829 0.5353590 0.5174774), wk = 0.0042017 k( 185) = ( -0.3994839 0.5102336 0.5174774), wk = 0.0042017 k( 186) = ( -0.4061850 0.4851082 0.5174774), wk = 0.0042017 k( 187) = ( -0.4128861 0.4599828 0.5174774), wk = 0.0042017 k( 188) = ( -0.4195872 0.4348574 0.5174774), wk = 0.0042017 k( 189) = ( -0.4262882 0.4097320 0.5174774), wk = 0.0042017 k( 190) = ( -0.4329893 0.3846065 0.5174774), wk = 0.0042017 k( 191) = ( -0.4396904 0.3594811 0.5174774), wk = 0.0042017 k( 192) = ( -0.4463914 0.3343557 0.5174774), wk = 0.0042017 k( 193) = ( -0.4530925 0.3092303 0.5174774), wk = 0.0042017 k( 194) = ( -0.4597936 0.2841049 0.5174774), wk = 0.0042017 k( 195) = ( -0.4664947 0.2589795 0.5174774), wk = 0.0042017 k( 196) = ( -0.4731957 0.2338541 0.5174774), wk = 0.0042017 k( 197) = ( -0.4798968 0.2087287 0.5174774), wk = 0.0042017 k( 198) = ( -0.4865979 0.1836033 0.5174774), wk = 0.0042017 k( 199) = ( -0.4932989 0.1584779 0.5174774), wk = 0.0042017 k( 200) = ( -0.5000000 0.1333525 0.5174774), wk = 0.0042017 k( 201) = ( 0.0000000 0.0000000 0.5174774), wk = 0.0042017 k( 202) = ( 0.0067568 0.0253342 0.5174774), wk = 0.0042017 k( 203) = ( 0.0135135 0.0506684 0.5174774), wk = 0.0042017 k( 204) = ( 0.0202703 0.0760026 0.5174774), wk = 0.0042017 k( 205) = ( 0.0270270 0.1013368 0.5174774), wk = 0.0042017 k( 206) = ( 0.0337838 0.1266710 0.5174774), wk = 0.0042017 k( 207) = ( 0.0405405 0.1520052 0.5174774), wk = 0.0042017 k( 208) = ( 0.0472973 0.1773394 0.5174774), wk = 0.0042017 k( 209) = ( 0.0540540 0.2026736 0.5174774), wk = 0.0042017 k( 210) = ( 0.0608108 0.2280078 0.5174774), wk = 0.0042017 k( 211) = ( 0.0675676 0.2533421 0.5174774), wk = 0.0042017 k( 212) = ( 0.0743243 0.2786762 0.5174774), wk = 0.0042017 k( 213) = ( 0.0810811 0.3040105 0.5174774), wk = 0.0042017 k( 214) = ( 0.0878378 0.3293447 0.5174774), wk = 0.0042017 k( 215) = ( 0.0945946 0.3546788 0.5174774), wk = 0.0042017 k( 216) = ( 0.1013514 0.3800131 0.5174774), wk = 0.0042017 k( 217) = ( 0.1081081 0.4053473 0.5174774), wk = 0.0042017 k( 218) = ( 0.1148649 0.4306815 0.5174774), wk = 0.0042017 k( 219) = ( 0.1216216 0.4560157 0.5174774), wk = 0.0042017 k( 220) = ( 0.1283784 0.4813499 0.5174774), wk = 0.0042017 k( 221) = ( 0.1351351 0.5066841 0.5174774), wk = 0.0042017 k( 222) = ( 0.1418919 0.5320183 0.5174774), wk = 0.0042017 k( 223) = ( 0.1486486 0.5573525 0.5174774), wk = 0.0042017 k( 224) = ( 0.1554054 0.5826867 0.5174774), wk = 0.0042017 k( 225) = ( 0.1621622 0.6080209 0.5174774), wk = 0.0042017 k( 226) = ( 0.1689189 0.6333551 0.5174774), wk = 0.0042017 k( 227) = ( 0.1756757 0.6586893 0.5174774), wk = 0.0042017 k( 228) = ( 0.1824324 0.6840235 0.5174774), wk = 0.0042017 k( 229) = ( 0.1891892 0.7093577 0.5174774), wk = 0.0042017 k( 230) = ( 0.1959460 0.7346919 0.5174774), wk = 0.0042017 k( 231) = ( 0.2027027 0.7600261 0.5174774), wk = 0.0042017 k( 232) = ( 0.2094595 0.7853603 0.5174774), wk = 0.0042017 k( 233) = ( 0.2162162 0.8106946 0.5174774), wk = 0.0042017 k( 234) = ( 0.2229730 0.8360287 0.5174774), wk = 0.0042017 k( 235) = ( 0.2297297 0.8613630 0.5174774), wk = 0.0042017 k( 236) = ( 0.2364865 0.8866972 0.5174774), wk = 0.0042017 k( 237) = ( 0.2432432 0.9120314 0.5174774), wk = 0.0042017 k( 238) = ( 0.2500000 0.9373656 0.5174774), wk = 0.0042017 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042017 k( 2) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0042017 k( 3) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0042017 k( 4) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0042017 k( 5) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0042017 k( 6) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0042017 k( 7) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0042017 k( 8) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0042017 k( 9) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0042017 k( 10) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0042017 k( 11) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0042017 k( 12) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0042017 k( 13) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0042017 k( 14) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0042017 k( 15) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0042017 k( 16) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0042017 k( 17) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0042017 k( 18) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0042017 k( 19) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0042017 k( 20) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0042017 k( 21) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0042017 k( 22) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0042017 k( 23) = ( -0.0250000 0.0250000 0.5000000), wk = 0.0042017 k( 24) = ( -0.0500000 0.0500000 0.5000000), wk = 0.0042017 k( 25) = ( -0.0750000 0.0750000 0.5000000), wk = 0.0042017 k( 26) = ( -0.1000000 0.1000000 0.5000000), wk = 0.0042017 k( 27) = ( -0.1250000 0.1250000 0.5000000), wk = 0.0042017 k( 28) = ( -0.1500000 0.1500000 0.5000000), wk = 0.0042017 k( 29) = ( -0.1750000 0.1750000 0.5000000), wk = 0.0042017 k( 30) = ( -0.2000000 0.2000000 0.5000000), wk = 0.0042017 k( 31) = ( -0.2250000 0.2250000 0.5000000), wk = 0.0042017 k( 32) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0042017 k( 33) = ( -0.2750000 0.2750000 0.5000000), wk = 0.0042017 k( 34) = ( -0.3000000 0.3000000 0.5000000), wk = 0.0042017 k( 35) = ( -0.3250000 0.3250000 0.5000000), wk = 0.0042017 k( 36) = ( -0.3500000 0.3500000 0.5000000), wk = 0.0042017 k( 37) = ( -0.3750000 0.3750000 0.5000000), wk = 0.0042017 k( 38) = ( -0.4000000 0.4000000 0.5000000), wk = 0.0042017 k( 39) = ( -0.4250000 0.4250000 0.5000000), wk = 0.0042017 k( 40) = ( -0.4500000 0.4500000 0.5000000), wk = 0.0042017 k( 41) = ( -0.4750000 0.4750000 0.5000000), wk = 0.0042017 k( 42) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0042017 k( 43) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0042017 k( 44) = ( -0.4821429 0.4821429 0.4821429), wk = 0.0042017 k( 45) = ( -0.4642857 0.4642857 0.4642857), wk = 0.0042017 k( 46) = ( -0.4464286 0.4464286 0.4464286), wk = 0.0042017 k( 47) = ( -0.4285714 0.4285714 0.4285714), wk = 0.0042017 k( 48) = ( -0.4107143 0.4107143 0.4107143), wk = 0.0042017 k( 49) = ( -0.3928571 0.3928571 0.3928571), wk = 0.0042017 k( 50) = ( -0.3750000 0.3750000 0.3750000), wk = 0.0042017 k( 51) = ( -0.3571429 0.3571429 0.3571429), wk = 0.0042017 k( 52) = ( -0.3392857 0.3392857 0.3392857), wk = 0.0042017 k( 53) = ( -0.3214286 0.3214286 0.3214286), wk = 0.0042017 k( 54) = ( -0.3035714 0.3035714 0.3035714), wk = 0.0042017 k( 55) = ( -0.2857143 0.2857143 0.2857143), wk = 0.0042017 k( 56) = ( -0.2678571 0.2678571 0.2678571), wk = 0.0042017 k( 57) = ( -0.2500000 0.2500000 0.2500000), wk = 0.0042017 k( 58) = ( -0.2321429 0.2321429 0.2321429), wk = 0.0042017 k( 59) = ( -0.2142857 0.2142857 0.2142857), wk = 0.0042017 k( 60) = ( -0.1964286 0.1964286 0.1964286), wk = 0.0042017 k( 61) = ( -0.1785714 0.1785714 0.1785714), wk = 0.0042017 k( 62) = ( -0.1607143 0.1607143 0.1607143), wk = 0.0042017 k( 63) = ( -0.1428571 0.1428571 0.1428571), wk = 0.0042017 k( 64) = ( -0.1250000 0.1250000 0.1250000), wk = 0.0042017 k( 65) = ( -0.1071429 0.1071429 0.1071429), wk = 0.0042017 k( 66) = ( -0.0892857 0.0892857 0.0892857), wk = 0.0042017 k( 67) = ( -0.0714286 0.0714286 0.0714286), wk = 0.0042017 k( 68) = ( -0.0535714 0.0535714 0.0535714), wk = 0.0042017 k( 69) = ( -0.0357143 0.0357143 0.0357143), wk = 0.0042017 k( 70) = ( -0.0178571 0.0178571 0.0178571), wk = 0.0042017 k( 71) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042017 k( 72) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042017 k( 73) = ( 0.0067992 0.0067992 -0.0067992), wk = 0.0042017 k( 74) = ( 0.0135984 0.0135984 -0.0135984), wk = 0.0042017 k( 75) = ( 0.0203976 0.0203976 -0.0203976), wk = 0.0042017 k( 76) = ( 0.0271967 0.0271967 -0.0271967), wk = 0.0042017 k( 77) = ( 0.0339959 0.0339959 -0.0339959), wk = 0.0042017 k( 78) = ( 0.0407951 0.0407951 -0.0407951), wk = 0.0042017 k( 79) = ( 0.0475943 0.0475943 -0.0475943), wk = 0.0042017 k( 80) = ( 0.0543935 0.0543935 -0.0543935), wk = 0.0042017 k( 81) = ( 0.0611927 0.0611927 -0.0611927), wk = 0.0042017 k( 82) = ( 0.0679919 0.0679919 -0.0679919), wk = 0.0042017 k( 83) = ( 0.0747910 0.0747910 -0.0747910), wk = 0.0042017 k( 84) = ( 0.0815902 0.0815902 -0.0815902), wk = 0.0042017 k( 85) = ( 0.0883894 0.0883894 -0.0883894), wk = 0.0042017 k( 86) = ( 0.0951886 0.0951886 -0.0951886), wk = 0.0042017 k( 87) = ( 0.1019878 0.1019878 -0.1019878), wk = 0.0042017 k( 88) = ( 0.1087869 0.1087869 -0.1087869), wk = 0.0042017 k( 89) = ( 0.1155861 0.1155861 -0.1155861), wk = 0.0042017 k( 90) = ( 0.1223853 0.1223853 -0.1223853), wk = 0.0042017 k( 91) = ( 0.1291845 0.1291845 -0.1291845), wk = 0.0042017 k( 92) = ( 0.1359837 0.1359837 -0.1359837), wk = 0.0042017 k( 93) = ( 0.1427829 0.1427829 -0.1427829), wk = 0.0042017 k( 94) = ( 0.1495821 0.1495821 -0.1495821), wk = 0.0042017 k( 95) = ( 0.1563812 0.1563812 -0.1563812), wk = 0.0042017 k( 96) = ( 0.1631804 0.1631804 -0.1631804), wk = 0.0042017 k( 97) = ( 0.1699796 0.1699796 -0.1699796), wk = 0.0042017 k( 98) = ( 0.1767788 0.1767788 -0.1767788), wk = 0.0042017 k( 99) = ( 0.1835780 0.1835780 -0.1835780), wk = 0.0042017 k( 100) = ( 0.1903772 0.1903772 -0.1903772), wk = 0.0042017 k( 101) = ( 0.1971764 0.1971763 -0.1971764), wk = 0.0042017 k( 102) = ( 0.2039755 0.2039755 -0.2039755), wk = 0.0042017 k( 103) = ( 0.2107747 0.2107747 -0.2107747), wk = 0.0042017 k( 104) = ( 0.2175739 0.2175739 -0.2175739), wk = 0.0042017 k( 105) = ( 0.2243731 0.2243731 -0.2243731), wk = 0.0042017 k( 106) = ( 0.2311723 0.2311723 -0.2311723), wk = 0.0042017 k( 107) = ( 0.2379715 0.2379715 -0.2379715), wk = 0.0042017 k( 108) = ( 0.2447707 0.2447707 -0.2447707), wk = 0.0042017 k( 109) = ( 0.2515698 0.2515698 -0.2515698), wk = 0.0042017 k( 110) = ( 0.2583690 0.2583690 -0.2583690), wk = 0.0042017 k( 111) = ( 0.2651682 0.2651682 -0.2651682), wk = 0.0042017 k( 112) = ( 0.2719674 0.2719674 -0.2719674), wk = 0.0042017 k( 113) = ( 0.2787666 0.2787666 -0.2787666), wk = 0.0042017 k( 114) = ( 0.2855658 0.2855658 -0.2855657), wk = 0.0042017 k( 115) = ( 0.2855658 0.2855658 -0.2855657), wk = 0.0042017 k( 116) = ( 0.2838721 0.2838721 -0.2600626), wk = 0.0042017 k( 117) = ( 0.2821785 0.2821785 -0.2345595), wk = 0.0042017 k( 118) = ( 0.2804849 0.2804849 -0.2090564), wk = 0.0042017 k( 119) = ( 0.2787913 0.2787913 -0.1835532), wk = 0.0042017 k( 120) = ( 0.2770977 0.2770977 -0.1580501), wk = 0.0042017 k( 121) = ( 0.2754041 0.2754041 -0.1325470), wk = 0.0042017 k( 122) = ( 0.2737105 0.2737105 -0.1070438), wk = 0.0042017 k( 123) = ( 0.2720169 0.2720169 -0.0815407), wk = 0.0042017 k( 124) = ( 0.2703233 0.2703233 -0.0560376), wk = 0.0042017 k( 125) = ( 0.2686297 0.2686297 -0.0305344), wk = 0.0042017 k( 126) = ( 0.2669361 0.2669361 -0.0050313), wk = 0.0042017 k( 127) = ( 0.2652425 0.2652425 0.0204718), wk = 0.0042017 k( 128) = ( 0.2635489 0.2635489 0.0459749), wk = 0.0042017 k( 129) = ( 0.2618552 0.2618552 0.0714781), wk = 0.0042017 k( 130) = ( 0.2601616 0.2601616 0.0969812), wk = 0.0042017 k( 131) = ( 0.2584680 0.2584680 0.1224843), wk = 0.0042017 k( 132) = ( 0.2567744 0.2567744 0.1479875), wk = 0.0042017 k( 133) = ( 0.2550808 0.2550808 0.1734906), wk = 0.0042017 k( 134) = ( 0.2533872 0.2533872 0.1989937), wk = 0.0042017 k( 135) = ( 0.2516936 0.2516936 0.2244969), wk = 0.0042017 k( 136) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0042017 k( 137) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0042017 k( 138) = ( 0.2321429 0.2678571 0.2321429), wk = 0.0042017 k( 139) = ( 0.2142857 0.2857143 0.2142857), wk = 0.0042017 k( 140) = ( 0.1964286 0.3035714 0.1964286), wk = 0.0042017 k( 141) = ( 0.1785714 0.3214286 0.1785714), wk = 0.0042017 k( 142) = ( 0.1607143 0.3392857 0.1607143), wk = 0.0042017 k( 143) = ( 0.1428571 0.3571429 0.1428571), wk = 0.0042017 k( 144) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0042017 k( 145) = ( 0.1071429 0.3928571 0.1071429), wk = 0.0042017 k( 146) = ( 0.0892857 0.4107143 0.0892857), wk = 0.0042017 k( 147) = ( 0.0714286 0.4285714 0.0714286), wk = 0.0042017 k( 148) = ( 0.0535714 0.4464286 0.0535714), wk = 0.0042017 k( 149) = ( 0.0357143 0.4642857 0.0357143), wk = 0.0042017 k( 150) = ( 0.0178571 0.4821429 0.0178571), wk = 0.0042017 k( 151) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0042017 k( 152) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0042017 k( 153) = ( -0.0190377 0.5142956 0.0190377), wk = 0.0042017 k( 154) = ( -0.0380754 0.5285912 0.0380754), wk = 0.0042017 k( 155) = ( -0.0571132 0.5428869 0.0571132), wk = 0.0042017 k( 156) = ( -0.0761509 0.5571825 0.0761509), wk = 0.0042017 k( 157) = ( -0.0951886 0.5714781 0.0951886), wk = 0.0042017 k( 158) = ( -0.1142263 0.5857737 0.1142263), wk = 0.0042017 k( 159) = ( -0.1332640 0.6000693 0.1332640), wk = 0.0042017 k( 160) = ( -0.1523017 0.6143649 0.1523017), wk = 0.0042017 k( 161) = ( -0.1713395 0.6286605 0.1713395), wk = 0.0042017 k( 162) = ( -0.1903772 0.6429562 0.1903772), wk = 0.0042017 k( 163) = ( -0.2094149 0.6572518 0.2094149), wk = 0.0042017 k( 164) = ( -0.2284526 0.6715474 0.2284526), wk = 0.0042017 k( 165) = ( -0.2474903 0.6858430 0.2474903), wk = 0.0042017 k( 166) = ( -0.2665280 0.7001386 0.2665280), wk = 0.0042017 k( 167) = ( -0.2855658 0.7144343 0.2855657), wk = 0.0042017 k( 168) = ( -0.2855658 0.7144343 0.2855657), wk = 0.0042017 k( 169) = ( -0.2922668 0.7077332 0.2922668), wk = 0.0042017 k( 170) = ( -0.2989679 0.7010321 0.2989679), wk = 0.0042017 k( 171) = ( -0.3056690 0.6943310 0.3056690), wk = 0.0042017 k( 172) = ( -0.3123700 0.6876300 0.3123700), wk = 0.0042017 k( 173) = ( -0.3190711 0.6809289 0.3190711), wk = 0.0042017 k( 174) = ( -0.3257722 0.6742278 0.3257722), wk = 0.0042017 k( 175) = ( -0.3324732 0.6675267 0.3324733), wk = 0.0042017 k( 176) = ( -0.3391743 0.6608257 0.3391743), wk = 0.0042017 k( 177) = ( -0.3458754 0.6541246 0.3458754), wk = 0.0042017 k( 178) = ( -0.3525765 0.6474235 0.3525765), wk = 0.0042017 k( 179) = ( -0.3592775 0.6407225 0.3592775), wk = 0.0042017 k( 180) = ( -0.3659786 0.6340214 0.3659786), wk = 0.0042017 k( 181) = ( -0.3726797 0.6273203 0.3726797), wk = 0.0042017 k( 182) = ( -0.3793807 0.6206193 0.3793807), wk = 0.0042017 k( 183) = ( -0.3860818 0.6139182 0.3860818), wk = 0.0042017 k( 184) = ( -0.3927829 0.6072171 0.3927829), wk = 0.0042017 k( 185) = ( -0.3994839 0.6005160 0.3994839), wk = 0.0042017 k( 186) = ( -0.4061850 0.5938150 0.4061850), wk = 0.0042017 k( 187) = ( -0.4128861 0.5871139 0.4128861), wk = 0.0042017 k( 188) = ( -0.4195872 0.5804128 0.4195872), wk = 0.0042017 k( 189) = ( -0.4262882 0.5737118 0.4262882), wk = 0.0042017 k( 190) = ( -0.4329893 0.5670107 0.4329893), wk = 0.0042017 k( 191) = ( -0.4396904 0.5603096 0.4396904), wk = 0.0042017 k( 192) = ( -0.4463914 0.5536086 0.4463914), wk = 0.0042017 k( 193) = ( -0.4530925 0.5469075 0.4530925), wk = 0.0042017 k( 194) = ( -0.4597936 0.5402064 0.4597936), wk = 0.0042017 k( 195) = ( -0.4664947 0.5335053 0.4664947), wk = 0.0042017 k( 196) = ( -0.4731957 0.5268043 0.4731957), wk = 0.0042017 k( 197) = ( -0.4798968 0.5201032 0.4798968), wk = 0.0042017 k( 198) = ( -0.4865979 0.5134021 0.4865979), wk = 0.0042017 k( 199) = ( -0.4932989 0.5067011 0.4932989), wk = 0.0042017 k( 200) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0042017 k( 201) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0042017 k( 202) = ( 0.0067568 0.0067568 0.4932432), wk = 0.0042017 k( 203) = ( 0.0135135 0.0135135 0.4864865), wk = 0.0042017 k( 204) = ( 0.0202703 0.0202703 0.4797297), wk = 0.0042017 k( 205) = ( 0.0270270 0.0270270 0.4729730), wk = 0.0042017 k( 206) = ( 0.0337838 0.0337838 0.4662162), wk = 0.0042017 k( 207) = ( 0.0405405 0.0405405 0.4594595), wk = 0.0042017 k( 208) = ( 0.0472973 0.0472973 0.4527027), wk = 0.0042017 k( 209) = ( 0.0540540 0.0540541 0.4459459), wk = 0.0042017 k( 210) = ( 0.0608108 0.0608108 0.4391892), wk = 0.0042017 k( 211) = ( 0.0675676 0.0675676 0.4324324), wk = 0.0042017 k( 212) = ( 0.0743243 0.0743243 0.4256757), wk = 0.0042017 k( 213) = ( 0.0810811 0.0810811 0.4189189), wk = 0.0042017 k( 214) = ( 0.0878378 0.0878378 0.4121622), wk = 0.0042017 k( 215) = ( 0.0945946 0.0945946 0.4054054), wk = 0.0042017 k( 216) = ( 0.1013514 0.1013514 0.3986486), wk = 0.0042017 k( 217) = ( 0.1081081 0.1081081 0.3918919), wk = 0.0042017 k( 218) = ( 0.1148649 0.1148649 0.3851351), wk = 0.0042017 k( 219) = ( 0.1216216 0.1216216 0.3783784), wk = 0.0042017 k( 220) = ( 0.1283784 0.1283784 0.3716216), wk = 0.0042017 k( 221) = ( 0.1351351 0.1351351 0.3648649), wk = 0.0042017 k( 222) = ( 0.1418919 0.1418919 0.3581081), wk = 0.0042017 k( 223) = ( 0.1486486 0.1486486 0.3513514), wk = 0.0042017 k( 224) = ( 0.1554054 0.1554054 0.3445946), wk = 0.0042017 k( 225) = ( 0.1621622 0.1621622 0.3378378), wk = 0.0042017 k( 226) = ( 0.1689189 0.1689189 0.3310811), wk = 0.0042017 k( 227) = ( 0.1756757 0.1756757 0.3243243), wk = 0.0042017 k( 228) = ( 0.1824324 0.1824324 0.3175676), wk = 0.0042017 k( 229) = ( 0.1891892 0.1891892 0.3108108), wk = 0.0042017 k( 230) = ( 0.1959460 0.1959460 0.3040541), wk = 0.0042017 k( 231) = ( 0.2027027 0.2027027 0.2972973), wk = 0.0042017 k( 232) = ( 0.2094595 0.2094595 0.2905405), wk = 0.0042017 k( 233) = ( 0.2162162 0.2162162 0.2837838), wk = 0.0042017 k( 234) = ( 0.2229730 0.2229730 0.2770270), wk = 0.0042017 k( 235) = ( 0.2297297 0.2297297 0.2702703), wk = 0.0042017 k( 236) = ( 0.2364865 0.2364865 0.2635135), wk = 0.0042017 k( 237) = ( 0.2432432 0.2432432 0.2567568), wk = 0.0042017 k( 238) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0042017 Dense grid: 525089 G-vectors FFT dimensions: ( 128, 128, 128) Smooth grid: 73209 G-vectors FFT dimensions: ( 72, 72, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.24 Mb ( 268, 58) NL pseudopotentials 0.42 Mb ( 134, 204) Each V/rho on FFT grid 0.50 Mb ( 32768) Each G-vector array 0.06 Mb ( 7293) G-vector shells 0.03 Mb ( 3409) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.95 Mb ( 268, 232) Each subspace H/S matrix 0.02 Mb ( 38, 38) Each matrix 0.36 Mb ( 204, 2, 58) The potential is recalculated from file : ./CdHgS4.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.9 secs Computing kpt #: 2 total cpu time spent up to now is 7.2 secs Computing kpt #: 3 total cpu time spent up to now is 8.4 secs Computing kpt #: 4 total cpu time spent up to now is 10.0 secs Computing kpt #: 5 total cpu time spent up to now is 11.7 secs Computing kpt #: 6 total cpu time spent up to now is 13.5 secs Computing kpt #: 7 total cpu time spent up to now is 15.3 secs Computing kpt #: 8 total cpu time spent up to now is 17.0 secs Computing kpt #: 9 total cpu time spent up to now is 18.8 secs Computing kpt #: 10 total cpu time spent up to now is 20.6 secs Computing kpt #: 11 total cpu time spent up to now is 22.3 secs Computing kpt #: 12 total cpu time spent up to now is 24.1 secs Computing kpt #: 13 total cpu time spent up to now is 25.9 secs Computing kpt #: 14 total cpu time spent up to now is 27.8 secs Computing kpt #: 15 total cpu time spent up to now is 29.5 secs Computing kpt #: 16 total cpu time spent up to now is 31.3 secs Computing kpt #: 17 total cpu time spent up to now is 33.3 secs Computing kpt #: 18 total cpu time spent up to now is 35.1 secs Computing kpt #: 19 total cpu time spent up to now is 37.0 secs Computing kpt #: 20 total cpu time spent up to now is 38.8 secs Computing kpt #: 21 total cpu time spent up to now is 40.5 secs Computing kpt #: 22 total cpu time spent up to now is 42.2 secs Computing kpt #: 23 total cpu time spent up to now is 44.0 secs Computing kpt #: 24 total cpu time spent up to now is 45.7 secs Computing kpt #: 25 total cpu time spent up to now is 47.4 secs Computing kpt #: 26 total cpu time spent up to now is 49.1 secs Computing kpt #: 27 total cpu time spent up to now is 51.0 secs Computing kpt #: 28 total cpu time spent up to now is 52.8 secs Computing kpt #: 29 total cpu time spent up to now is 54.8 secs Computing kpt #: 30 total cpu time spent up to now is 56.8 secs Computing kpt #: 31 total cpu time spent up to now is 58.7 secs Computing kpt #: 32 total cpu time spent up to now is 60.8 secs Computing kpt #: 33 total cpu time spent up to now is 63.1 secs Computing kpt #: 34 total cpu time spent up to now is 65.2 secs Computing kpt #: 35 total cpu time spent up to now is 67.0 secs Computing kpt #: 36 total cpu time spent up to now is 68.8 secs Computing kpt #: 37 total cpu time spent up to now is 70.7 secs Computing kpt #: 38 total cpu time spent up to now is 72.4 secs Computing kpt #: 39 total cpu time spent up to now is 74.2 secs Computing kpt #: 40 total cpu time spent up to now is 76.0 secs Computing kpt #: 41 total cpu time spent up to now is 77.2 secs Computing kpt #: 42 total cpu time spent up to now is 78.6 secs Computing kpt #: 43 total cpu time spent up to now is 79.9 secs Computing kpt #: 44 total cpu time spent up to now is 81.5 secs Computing kpt #: 45 total cpu time spent up to now is 83.2 secs Computing kpt #: 46 total cpu time spent up to now is 85.0 secs Computing kpt #: 47 total cpu time spent up to now is 86.7 secs Computing kpt #: 48 total cpu time spent up to now is 88.5 secs Computing kpt #: 49 total cpu time spent up to now is 90.3 secs Computing kpt #: 50 total cpu time spent up to now is 92.1 secs Computing kpt #: 51 total cpu time spent up to now is 94.0 secs Computing kpt #: 52 total cpu time spent up to now is 96.0 secs Computing kpt #: 53 total cpu time spent up to now is 97.9 secs Computing kpt #: 54 total cpu time spent up to now is 99.6 secs Computing kpt #: 55 total cpu time spent up to now is 101.6 secs Computing kpt #: 56 total cpu time spent up to now is 103.3 secs Computing kpt #: 57 total cpu time spent up to now is 105.1 secs Computing kpt #: 58 total cpu time spent up to now is 106.9 secs Computing kpt #: 59 total cpu time spent up to now is 108.8 secs Computing kpt #: 60 total cpu time spent up to now is 110.6 secs Computing kpt #: 61 total cpu time spent up to now is 112.3 secs Computing kpt #: 62 total cpu time spent up to now is 114.1 secs Computing kpt #: 63 total cpu time spent up to now is 115.9 secs Computing kpt #: 64 total cpu time spent up to now is 117.7 secs Computing kpt #: 65 total cpu time spent up to now is 119.4 secs Computing kpt #: 66 total cpu time spent up to now is 121.2 secs Computing kpt #: 67 total cpu time spent up to now is 123.0 secs Computing kpt #: 68 total cpu time spent up to now is 124.6 secs Computing kpt #: 69 total cpu time spent up to now is 125.9 secs Computing kpt #: 70 total cpu time spent up to now is 127.3 secs Computing kpt #: 71 total cpu time spent up to now is 128.7 secs Computing kpt #: 72 total cpu time spent up to now is 130.1 secs Computing kpt #: 73 total cpu time spent up to now is 131.4 secs Computing kpt #: 74 total cpu time spent up to now is 132.9 secs Computing kpt #: 75 total cpu time spent up to now is 134.2 secs Computing kpt #: 76 total cpu time spent up to now is 135.5 secs Computing kpt #: 77 total cpu time spent up to now is 136.8 secs Computing kpt #: 78 total cpu time spent up to now is 138.0 secs Computing kpt #: 79 total cpu time spent up to now is 139.6 secs Computing kpt #: 80 total cpu time spent up to now is 141.1 secs Computing kpt #: 81 total cpu time spent up to now is 142.8 secs Computing kpt #: 82 total cpu time spent up to now is 144.3 secs Computing kpt #: 83 total cpu time spent up to now is 146.0 secs Computing kpt #: 84 total cpu time spent up to now is 147.3 secs Computing kpt #: 85 total cpu time spent up to now is 148.5 secs Computing kpt #: 86 total cpu time spent up to now is 150.4 secs Computing kpt #: 87 total cpu time spent up to now is 152.1 secs Computing kpt #: 88 total cpu time spent up to now is 154.6 secs Computing kpt #: 89 total cpu time spent up to now is 156.6 secs Computing kpt #: 90 total cpu time spent up to now is 158.5 secs Computing kpt #: 91 total cpu time spent up to now is 160.4 secs Computing kpt #: 92 total cpu time spent up to now is 162.3 secs Computing kpt #: 93 total cpu time spent up to now is 164.0 secs Computing kpt #: 94 total cpu time spent up to now is 165.8 secs Computing kpt #: 95 total cpu time spent up to now is 167.3 secs Computing kpt #: 96 total cpu time spent up to now is 168.6 secs Computing kpt #: 97 total cpu time spent up to now is 169.9 secs Computing kpt #: 98 total cpu time spent up to now is 171.2 secs Computing kpt #: 99 total cpu time spent up to now is 172.6 secs Computing kpt #: 100 total cpu time spent up to now is 173.9 secs Computing kpt #: 101 total cpu time spent up to now is 175.3 secs Computing kpt #: 102 total cpu time spent up to now is 177.0 secs Computing kpt #: 103 total cpu time spent up to now is 178.4 secs Computing kpt #: 104 total cpu time spent up to now is 179.6 secs Computing kpt #: 105 total cpu time spent up to now is 180.8 secs Computing kpt #: 106 total cpu time spent up to now is 182.1 secs Computing kpt #: 107 total cpu time spent up to now is 183.4 secs Computing kpt #: 108 total cpu time spent up to now is 184.6 secs Computing kpt #: 109 total cpu time spent up to now is 185.9 secs Computing kpt #: 110 total cpu time spent up to now is 187.3 secs Computing kpt #: 111 total cpu time spent up to now is 188.5 secs Computing kpt #: 112 total cpu time spent up to now is 189.6 secs Computing kpt #: 113 total cpu time spent up to now is 190.9 secs Computing kpt #: 114 total cpu time spent up to now is 192.3 secs Computing kpt #: 115 total cpu time spent up to now is 193.5 secs Computing kpt #: 116 total cpu time spent up to now is 194.8 secs Computing kpt #: 117 total cpu time spent up to now is 196.0 secs Computing kpt #: 118 total cpu time spent up to now is 197.3 secs Computing kpt #: 119 total cpu time spent up to now is 198.5 secs Computing kpt #: 120 total cpu time spent up to now is 199.7 secs Computing kpt #: 121 total cpu time spent up to now is 200.9 secs Computing kpt #: 122 total cpu time spent up to now is 202.1 secs Computing kpt #: 123 total cpu time spent up to now is 203.4 secs Computing kpt #: 124 total cpu time spent up to now is 204.6 secs Computing kpt #: 125 total cpu time spent up to now is 205.9 secs Computing kpt #: 126 total cpu time spent up to now is 207.1 secs Computing kpt #: 127 total cpu time spent up to now is 208.4 secs Computing kpt #: 128 total cpu time spent up to now is 209.6 secs Computing kpt #: 129 total cpu time spent up to now is 210.9 secs Computing kpt #: 130 total cpu time spent up to now is 212.2 secs Computing kpt #: 131 total cpu time spent up to now is 213.4 secs Computing kpt #: 132 total cpu time spent up to now is 214.7 secs Computing kpt #: 133 total cpu time spent up to now is 215.9 secs Computing kpt #: 134 total cpu time spent up to now is 217.2 secs Computing kpt #: 135 total cpu time spent up to now is 218.5 secs Computing kpt #: 136 total cpu time spent up to now is 219.9 secs Computing kpt #: 137 total cpu time spent up to now is 221.2 secs Computing kpt #: 138 total cpu time spent up to now is 222.5 secs Computing kpt #: 139 total cpu time spent up to now is 223.8 secs Computing kpt #: 140 total cpu time spent up to now is 225.1 secs Computing kpt #: 141 total cpu time spent up to now is 226.3 secs Computing kpt #: 142 total cpu time spent up to now is 227.5 secs Computing kpt #: 143 total cpu time spent up to now is 228.8 secs Computing kpt #: 144 total cpu time spent up to now is 230.1 secs Computing kpt #: 145 total cpu time spent up to now is 231.5 secs Computing kpt #: 146 total cpu time spent up to now is 232.7 secs Computing kpt #: 147 total cpu time spent up to now is 233.9 secs Computing kpt #: 148 total cpu time spent up to now is 235.2 secs Computing kpt #: 149 total cpu time spent up to now is 236.5 secs Computing kpt #: 150 total cpu time spent up to now is 237.8 secs Computing kpt #: 151 total cpu time spent up to now is 239.1 secs Computing kpt #: 152 total cpu time spent up to now is 240.3 secs Computing kpt #: 153 total cpu time spent up to now is 241.6 secs Computing kpt #: 154 total cpu time spent up to now is 242.9 secs Computing kpt #: 155 total cpu time spent up to now is 244.2 secs Computing kpt #: 156 total cpu time spent up to now is 245.5 secs Computing kpt #: 157 total cpu time spent up to now is 248.1 secs Computing kpt #: 158 total cpu time spent up to now is 249.4 secs Computing kpt #: 159 total cpu time spent up to now is 250.8 secs Computing kpt #: 160 total cpu time spent up to now is 252.1 secs Computing kpt #: 161 total cpu time spent up to now is 253.6 secs Computing kpt #: 162 total cpu time spent up to now is 255.1 secs Computing kpt #: 163 total cpu time spent up to now is 256.4 secs Computing kpt #: 164 total cpu time spent up to now is 257.8 secs Computing kpt #: 165 total cpu time spent up to now is 259.2 secs Computing kpt #: 166 total cpu time spent up to now is 260.7 secs Computing kpt #: 167 total cpu time spent up to now is 262.0 secs Computing kpt #: 168 total cpu time spent up to now is 263.5 secs Computing kpt #: 169 total cpu time spent up to now is 264.8 secs Computing kpt #: 170 total cpu time spent up to now is 266.3 secs Computing kpt #: 171 total cpu time spent up to now is 267.6 secs Computing kpt #: 172 total cpu time spent up to now is 268.9 secs Computing kpt #: 173 total cpu time spent up to now is 270.1 secs Computing kpt #: 174 total cpu time spent up to now is 271.5 secs Computing kpt #: 175 total cpu time spent up to now is 272.9 secs Computing kpt #: 176 total cpu time spent up to now is 274.4 secs Computing kpt #: 177 total cpu time spent up to now is 275.9 secs Computing kpt #: 178 total cpu time spent up to now is 277.5 secs Computing kpt #: 179 total cpu time spent up to now is 279.3 secs Computing kpt #: 180 total cpu time spent up to now is 281.0 secs Computing kpt #: 181 total cpu time spent up to now is 282.5 secs Computing kpt #: 182 total cpu time spent up to now is 283.7 secs Computing kpt #: 183 total cpu time spent up to now is 285.4 secs Computing kpt #: 184 total cpu time spent up to now is 287.2 secs Computing kpt #: 185 total cpu time spent up to now is 289.0 secs Computing kpt #: 186 total cpu time spent up to now is 290.7 secs Computing kpt #: 187 total cpu time spent up to now is 292.4 secs Computing kpt #: 188 total cpu time spent up to now is 294.0 secs Computing kpt #: 189 total cpu time spent up to now is 295.4 secs Computing kpt #: 190 total cpu time spent up to now is 297.2 secs Computing kpt #: 191 total cpu time spent up to now is 299.2 secs Computing kpt #: 192 total cpu time spent up to now is 300.6 secs Computing kpt #: 193 total cpu time spent up to now is 302.2 secs Computing kpt #: 194 total cpu time spent up to now is 303.9 secs Computing kpt #: 195 total cpu time spent up to now is 305.6 secs Computing kpt #: 196 total cpu time spent up to now is 307.2 secs Computing kpt #: 197 total cpu time spent up to now is 308.5 secs Computing kpt #: 198 total cpu time spent up to now is 310.1 secs Computing kpt #: 199 total cpu time spent up to now is 311.4 secs Computing kpt #: 200 total cpu time spent up to now is 312.7 secs Computing kpt #: 201 total cpu time spent up to now is 314.4 secs Computing kpt #: 202 total cpu time spent up to now is 316.1 secs Computing kpt #: 203 total cpu time spent up to now is 317.7 secs Computing kpt #: 204 total cpu time spent up to now is 319.5 secs Computing kpt #: 205 total cpu time spent up to now is 321.1 secs Computing kpt #: 206 total cpu time spent up to now is 322.7 secs Computing kpt #: 207 total cpu time spent up to now is 324.4 secs Computing kpt #: 208 total cpu time spent up to now is 326.1 secs Computing kpt #: 209 total cpu time spent up to now is 328.0 secs Computing kpt #: 210 total cpu time spent up to now is 329.7 secs Computing kpt #: 211 total cpu time spent up to now is 331.4 secs Computing kpt #: 212 total cpu time spent up to now is 333.2 secs Computing kpt #: 213 total cpu time spent up to now is 335.0 secs Computing kpt #: 214 total cpu time spent up to now is 336.8 secs Computing kpt #: 215 total cpu time spent up to now is 338.6 secs Computing kpt #: 216 total cpu time spent up to now is 340.5 secs Computing kpt #: 217 total cpu time spent up to now is 342.2 secs Computing kpt #: 218 total cpu time spent up to now is 344.1 secs Computing kpt #: 219 total cpu time spent up to now is 346.0 secs Computing kpt #: 220 total cpu time spent up to now is 348.2 secs Computing kpt #: 221 total cpu time spent up to now is 350.2 secs Computing kpt #: 222 total cpu time spent up to now is 352.3 secs Computing kpt #: 223 total cpu time spent up to now is 354.2 secs Computing kpt #: 224 total cpu time spent up to now is 356.8 secs Computing kpt #: 225 total cpu time spent up to now is 358.7 secs Computing kpt #: 226 total cpu time spent up to now is 360.3 secs Computing kpt #: 227 total cpu time spent up to now is 361.7 secs Computing kpt #: 228 total cpu time spent up to now is 363.2 secs Computing kpt #: 229 total cpu time spent up to now is 364.8 secs Computing kpt #: 230 total cpu time spent up to now is 366.1 secs Computing kpt #: 231 total cpu time spent up to now is 367.4 secs Computing kpt #: 232 total cpu time spent up to now is 368.7 secs Computing kpt #: 233 total cpu time spent up to now is 370.0 secs Computing kpt #: 234 total cpu time spent up to now is 371.4 secs Computing kpt #: 235 total cpu time spent up to now is 372.7 secs Computing kpt #: 236 total cpu time spent up to now is 374.0 secs Computing kpt #: 237 total cpu time spent up to now is 375.3 secs Computing kpt #: 238 total cpu time spent up to now is 376.6 secs ethr = 2.08E-08, avg # of iterations = 25.2 total cpu time spent up to now is 376.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 9205 PWs) bands (ev): -11.7623 -11.7623 -11.3238 -11.3238 -11.3142 -11.3142 -11.2804 -11.2804 -7.9967 -7.9967 -7.9689 -7.9689 -7.3094 -7.3094 -7.2728 -7.2728 -7.2686 -7.2686 -7.1964 -7.1964 -7.1707 -7.1707 -5.5212 -5.5212 -5.4435 -5.4435 -5.4380 -5.4380 -4.1837 -4.1837 -1.6171 -1.6171 -1.5607 -1.5607 -1.4753 -1.4753 -1.2995 -1.2995 -1.0240 -1.0240 -0.8709 -0.8709 -0.8489 -0.8489 -0.7946 -0.7946 -0.3943 -0.3943 -0.3531 -0.3531 -0.2928 -0.2928 -0.0769 -0.0769 2.5816 2.5816 3.7662 3.7662 k = 0.0000 0.0000 0.0259 ( 9194 PWs) bands (ev): -11.7621 -11.7621 -11.3246 -11.3241 -11.3148 -11.3147 -11.2797 -11.2793 -7.9967 -7.9967 -7.9689 -7.9689 -7.3094 -7.3094 -7.2728 -7.2728 -7.2686 -7.2685 -7.1968 -7.1958 -7.1707 -7.1707 -5.5220 -5.5204 -5.4437 -5.4433 -5.4382 -5.4380 -4.1832 -4.1828 -1.6207 -1.6161 -1.5627 -1.5624 -1.4746 -1.4743 -1.3000 -1.2996 -1.0250 -1.0215 -0.8711 -0.8699 -0.8531 -0.8434 -0.7987 -0.7897 -0.3950 -0.3935 -0.3543 -0.3519 -0.2942 -0.2911 -0.0775 -0.0771 2.5824 2.5829 3.7654 3.7662 k = 0.0000 0.0000 0.0517 ( 9194 PWs) bands (ev): -11.7616 -11.7615 -11.3265 -11.3257 -11.3160 -11.3157 -11.2776 -11.2768 -7.9967 -7.9967 -7.9688 -7.9688 -7.3094 -7.3094 -7.2728 -7.2728 -7.2686 -7.2685 -7.1973 -7.1953 -7.1708 -7.1708 -5.5226 -5.5195 -5.4440 -5.4432 -5.4385 -5.4380 -4.1813 -4.1805 -1.6271 -1.6178 -1.5671 -1.5669 -1.4730 -1.4727 -1.3013 -1.3005 -1.0245 -1.0174 -0.8706 -0.8686 -0.8561 -0.8366 -0.8022 -0.7840 -0.3954 -0.3926 -0.3554 -0.3508 -0.2950 -0.2891 -0.0788 -0.0781 2.5853 2.5864 3.7639 3.7654 k = 0.0000 0.0000 0.0776 ( 9202 PWs) bands (ev): -11.7607 -11.7606 -11.3299 -11.3289 -11.3171 -11.3167 -11.2746 -11.2735 -7.9967 -7.9967 -7.9689 -7.9689 -7.3094 -7.3094 -7.2728 -7.2728 -7.2686 -7.2685 -7.1977 -7.1947 -7.1710 -7.1709 -5.5231 -5.5186 -5.4445 -5.4432 -5.4389 -5.4382 -4.1781 -4.1770 -1.6369 -1.6235 -1.5721 -1.5712 -1.4723 -1.4714 -1.3032 -1.3020 -1.0224 -1.0112 -0.8695 -0.8676 -0.8572 -0.8287 -0.8050 -0.7775 -0.3957 -0.3917 -0.3563 -0.3500 -0.2953 -0.2869 -0.0810 -0.0800 2.5902 2.5919 3.7615 3.7638 k = 0.0000 0.0000 0.1035 ( 9210 PWs) bands (ev): -11.7595 -11.7593 -11.3344 -11.3333 -11.3177 -11.3173 -11.2710 -11.2698 -7.9967 -7.9967 -7.9689 -7.9689 -7.3095 -7.3095 -7.2728 -7.2728 -7.2686 -7.2685 -7.1980 -7.1941 -7.1712 -7.1711 -5.5235 -5.5176 -5.4451 -5.4433 -5.4394 -5.4385 -4.1737 -4.1722 -1.6500 -1.6339 -1.5753 -1.5740 -1.4738 -1.4718 -1.3059 -1.3042 -1.0184 -1.0029 -0.8682 -0.8676 -0.8560 -0.8201 -0.8065 -0.7701 -0.3960 -0.3908 -0.3571 -0.3494 -0.2950 -0.2846 -0.0839 -0.0826 2.5969 2.5994 3.7583 3.7611 k = 0.0000 0.0000 0.1294 ( 9208 PWs) bands (ev): -11.7580 -11.7577 -11.3397 -11.3387 -11.3181 -11.3177 -11.2672 -11.2659 -7.9967 -7.9967 -7.9689 -7.9689 -7.3095 -7.3095 -7.2728 -7.2727 -7.2686 -7.2685 -7.1983 -7.1936 -7.1714 -7.1713 -5.5238 -5.5166 -5.4458 -5.4436 -5.4400 -5.4388 -4.1682 -4.1663 -1.6658 -1.6484 -1.5765 -1.5748 -1.4780 -1.4749 -1.3095 -1.3073 -1.0123 -0.9923 -0.8690 -0.8656 -0.8532 -0.8138 -0.8040 -0.7618 -0.3962 -0.3899 -0.3578 -0.3489 -0.2942 -0.2823 -0.0875 -0.0859 2.6054 2.6086 3.7540 3.7572 k = 0.0000 0.0000 0.1552 ( 9204 PWs) bands (ev): -11.7561 -11.7558 -11.3454 -11.3445 -11.3183 -11.3180 -11.2633 -11.2620 -7.9967 -7.9967 -7.9689 -7.9688 -7.3095 -7.3094 -7.2728 -7.2727 -7.2686 -7.2685 -7.1985 -7.1930 -7.1718 -7.1716 -5.5239 -5.5156 -5.4467 -5.4440 -5.4405 -5.4391 -4.1615 -4.1594 -1.6832 -1.6654 -1.5765 -1.5735 -1.4847 -1.4810 -1.3140 -1.3112 -1.0042 -0.9796 -0.8699 -0.8630 -0.8498 -0.8126 -0.7947 -0.7527 -0.3966 -0.3891 -0.3588 -0.3485 -0.2930 -0.2801 -0.0918 -0.0899 2.6153 2.6194 3.7486 3.7522 k = 0.0000 0.0000 0.1811 ( 9210 PWs) bands (ev): -11.7540 -11.7536 -11.3514 -11.3506 -11.3184 -11.3181 -11.2596 -11.2582 -7.9967 -7.9967 -7.9689 -7.9689 -7.3095 -7.3095 -7.2728 -7.2727 -7.2687 -7.2685 -7.1986 -7.1925 -7.1721 -7.1718 -5.5238 -5.5146 -5.4478 -5.4447 -5.4409 -5.4394 -4.1541 -4.1517 -1.7015 -1.6838 -1.5759 -1.5708 -1.4936 -1.4897 -1.3196 -1.3161 -0.9944 -0.9657 -0.8699 -0.8597 -0.8462 -0.8121 -0.7831 -0.7430 -0.3972 -0.3884 -0.3600 -0.3481 -0.2915 -0.2781 -0.0966 -0.0945 2.6264 2.6314 3.7422 3.7458 k = 0.0000 0.0000 0.2070 ( 9218 PWs) bands (ev): -11.7517 -11.7513 -11.3576 -11.3569 -11.3185 -11.3182 -11.2560 -11.2547 -7.9967 -7.9967 -7.9689 -7.9689 -7.3095 -7.3095 -7.2728 -7.2727 -7.2687 -7.2685 -7.1987 -7.1920 -7.1726 -7.1721 -5.5236 -5.5136 -5.4491 -5.4456 -5.4411 -5.4397 -4.1458 -4.1433 -1.7199 -1.7027 -1.5752 -1.5674 -1.5042 -1.5001 -1.3262 -1.3219 -0.9836 -0.9516 -0.8683 -0.8555 -0.8426 -0.8108 -0.7710 -0.7328 -0.3980 -0.3879 -0.3617 -0.3476 -0.2898 -0.2763 -0.1019 -0.0997 2.6384 2.6443 3.7349 3.7384 k = 0.0000 0.0000 0.2329 ( 9216 PWs) bands (ev): -11.7492 -11.7488 -11.3637 -11.3631 -11.3185 -11.3183 -11.2527 -11.2513 -7.9967 -7.9967 -7.9689 -7.9688 -7.3095 -7.3095 -7.2727 -7.2727 -7.2687 -7.2684 -7.1986 -7.1916 -7.1730 -7.1724 -5.5233 -5.5127 -5.4504 -5.4467 -5.4413 -5.4399 -4.1371 -4.1344 -1.7382 -1.7216 -1.5751 -1.5637 -1.5159 -1.5106 -1.3336 -1.3287 -0.9727 -0.9390 -0.8643 -0.8498 -0.8392 -0.8079 -0.7587 -0.7224 -0.3992 -0.3878 -0.3635 -0.3471 -0.2881 -0.2748 -0.1075 -0.1052 2.6510 2.6578 3.7269 3.7301 k = 0.0000 0.0000 0.2587 ( 9200 PWs) bands (ev): -11.7466 -11.7461 -11.3697 -11.3692 -11.3186 -11.3184 -11.2495 -11.2483 -7.9967 -7.9967 -7.9688 -7.9688 -7.3095 -7.3094 -7.2727 -7.2726 -7.2686 -7.2684 -7.1985 -7.1912 -7.1735 -7.1728 -5.5228 -5.5119 -5.4518 -5.4480 -5.4414 -5.4401 -4.1280 -4.1252 -1.7558 -1.7401 -1.5767 -1.5610 -1.5277 -1.5193 -1.3417 -1.3363 -0.9624 -0.9296 -0.8576 -0.8419 -0.8361 -0.8029 -0.7466 -0.7120 -0.4006 -0.3884 -0.3654 -0.3468 -0.2864 -0.2735 -0.1134 -0.1111 2.6639 2.6714 3.7185 3.7213 k = 0.0000 0.0000 0.2846 ( 9210 PWs) bands (ev): -11.7439 -11.7435 -11.3756 -11.3751 -11.3186 -11.3184 -11.2467 -11.2455 -7.9967 -7.9967 -7.9688 -7.9688 -7.3095 -7.3095 -7.2727 -7.2726 -7.2686 -7.2684 -7.1982 -7.1910 -7.1740 -7.1731 -5.5222 -5.5111 -5.4532 -5.4493 -5.4415 -5.4403 -4.1188 -4.1160 -1.7726 -1.7578 -1.5811 -1.5626 -1.5354 -1.5247 -1.3503 -1.3446 -0.9536 -0.9241 -0.8501 -0.8337 -0.8300 -0.7951 -0.7349 -0.7018 -0.4023 -0.3898 -0.3670 -0.3469 -0.2848 -0.2725 -0.1194 -0.1171 2.6768 2.6848 3.7101 3.7125 k = 0.0000 0.0000 0.3105 ( 9198 PWs) bands (ev): -11.7412 -11.7408 -11.3811 -11.3808 -11.3186 -11.3185 -11.2441 -11.2429 -7.9967 -7.9967 -7.9688 -7.9688 -7.3095 -7.3095 -7.2727 -7.2726 -7.2686 -7.2684 -7.1979 -7.1908 -7.1744 -7.1734 -5.5214 -5.5106 -5.4546 -5.4506 -5.4415 -5.4404 -4.1097 -4.1069 -1.7882 -1.7746 -1.5885 -1.5714 -1.5356 -1.5262 -1.3592 -1.3533 -0.9466 -0.9215 -0.8438 -0.8313 -0.8143 -0.7843 -0.7241 -0.6922 -0.4044 -0.3922 -0.3681 -0.3474 -0.2832 -0.2718 -0.1253 -0.1231 2.6893 2.6977 3.7020 3.7039 k = 0.0000 0.0000 0.3364 ( 9198 PWs) bands (ev): -11.7386 -11.7382 -11.3862 -11.3860 -11.3186 -11.3185 -11.2417 -11.2407 -7.9967 -7.9967 -7.9688 -7.9688 -7.3095 -7.3095 -7.2726 -7.2726 -7.2686 -7.2684 -7.1975 -7.1907 -7.1749 -7.1738 -5.5205 -5.5101 -5.4558 -5.4520 -5.4415 -5.4406 -4.1009 -4.0983 -1.8024 -1.7901 -1.5978 -1.5837 -1.5314 -1.5246 -1.3682 -1.3623 -0.9413 -0.9208 -0.8390 -0.8295 -0.7962 -0.7707 -0.7142 -0.6833 -0.4069 -0.3955 -0.3686 -0.3484 -0.2817 -0.2713 -0.1311 -0.1291 2.7011 2.7096 3.6944 3.6959 k = 0.0000 0.0000 0.3622 ( 9196 PWs) bands (ev): -11.7362 -11.7358 -11.3909 -11.3907 -11.3186 -11.3185 -11.2397 -11.2388 -7.9967 -7.9967 -7.9688 -7.9688 -7.3095 -7.3095 -7.2726 -7.2726 -7.2686 -7.2684 -7.1970 -7.1907 -7.1752 -7.1741 -5.5195 -5.5099 -5.4570 -5.4533 -5.4415 -5.4407 -4.0928 -4.0903 -1.8151 -1.8043 -1.6077 -1.5964 -1.5257 -1.5212 -1.3772 -1.3714 -0.9375 -0.9212 -0.8352 -0.8279 -0.7774 -0.7551 -0.7055 -0.6756 -0.4096 -0.3996 -0.3687 -0.3498 -0.2802 -0.2711 -0.1366 -0.1347 2.7120 2.7203 3.6877 3.6888 k = 0.0000 0.0000 0.3881 ( 9190 PWs) bands (ev): -11.7340 -11.7336 -11.3951 -11.3949 -11.3186 -11.3185 -11.2380 -11.2372 -7.9967 -7.9967 -7.9687 -7.9687 -7.3095 -7.3095 -7.2726 -7.2726 -7.2685 -7.2684 -7.1965 -7.1908 -7.1755 -7.1745 -5.5184 -5.5098 -5.4579 -5.4546 -5.4415 -5.4408 -4.0854 -4.0832 -1.8261 -1.8168 -1.6170 -1.6081 -1.5197 -1.5166 -1.3857 -1.3803 -0.9348 -0.9221 -0.8323 -0.8267 -0.7590 -0.7386 -0.6985 -0.6692 -0.4125 -0.4041 -0.3684 -0.3516 -0.2789 -0.2710 -0.1415 -0.1399 2.7219 2.7295 3.6820 3.6827 k = 0.0000 0.0000 0.4140 ( 9180 PWs) bands (ev): -11.7320 -11.7318 -11.3986 -11.3985 -11.3186 -11.3186 -11.2365 -11.2359 -7.9967 -7.9967 -7.9687 -7.9687 -7.3095 -7.3095 -7.2726 -7.2725 -7.2685 -7.2683 -7.1958 -7.1911 -7.1758 -7.1748 -5.5172 -5.5100 -5.4587 -5.4558 -5.4415 -5.4409 -4.0789 -4.0771 -1.8352 -1.8276 -1.6252 -1.6184 -1.5137 -1.5116 -1.3936 -1.3887 -0.9328 -0.9232 -0.8300 -0.8258 -0.7419 -0.7222 -0.6932 -0.6647 -0.4155 -0.4087 -0.3677 -0.3536 -0.2775 -0.2712 -0.1458 -0.1444 2.7304 2.7370 3.6773 3.6777 k = 0.0000 0.0000 0.4399 ( 9176 PWs) bands (ev): -11.7304 -11.7302 -11.4014 -11.4013 -11.3186 -11.3186 -11.2354 -11.2349 -7.9967 -7.9967 -7.9687 -7.9687 -7.3095 -7.3095 -7.2726 -7.2725 -7.2684 -7.2683 -7.1952 -7.1915 -7.1759 -7.1751 -5.5160 -5.5104 -5.4592 -5.4568 -5.4414 -5.4410 -4.0737 -4.0722 -1.8421 -1.8364 -1.6317 -1.6268 -1.5082 -1.5067 -1.4004 -1.3963 -0.9313 -0.9245 -0.8282 -0.8252 -0.7266 -0.7066 -0.6900 -0.6624 -0.4181 -0.4130 -0.3667 -0.3558 -0.2763 -0.2715 -0.1492 -0.1482 2.7374 2.7427 3.6736 3.6739 k = 0.0000 0.0000 0.4657 ( 9180 PWs) bands (ev): -11.7292 -11.7291 -11.4035 -11.4034 -11.3186 -11.3186 -11.2345 -11.2342 -7.9967 -7.9967 -7.9687 -7.9687 -7.3095 -7.3095 -7.2726 -7.2725 -7.2684 -7.2684 -7.1945 -7.1919 -7.1759 -7.1754 -5.5149 -5.5109 -5.4594 -5.4577 -5.4414 -5.4411 -4.0697 -4.0687 -1.8469 -1.8431 -1.6364 -1.6332 -1.5037 -1.5026 -1.4056 -1.4026 -0.9301 -0.9257 -0.8268 -0.8249 -0.7137 -0.6929 -0.6891 -0.6627 -0.4201 -0.4167 -0.3654 -0.3580 -0.2752 -0.2720 -0.1517 -0.1510 2.7428 2.7465 3.6711 3.6712 k = 0.0000 0.0000 0.4916 ( 9180 PWs) bands (ev): -11.7285 -11.7284 -11.4047 -11.4047 -11.3186 -11.3186 -11.2340 -11.2338 -7.9967 -7.9967 -7.9687 -7.9687 -7.3095 -7.3095 -7.2725 -7.2725 -7.2684 -7.2684 -7.1938 -7.1925 -7.1759 -7.1756 -5.5137 -5.5117 -5.4593 -5.4585 -5.4413 -5.4412 -4.0672 -4.0667 -1.8495 -1.8475 -1.6389 -1.6373 -1.5005 -1.4999 -1.4087 -1.4071 -0.9290 -0.9268 -0.8258 -0.8249 -0.7034 -0.6913 -0.6808 -0.6657 -0.4211 -0.4194 -0.3639 -0.3601 -0.2742 -0.2726 -0.1532 -0.1528 2.7465 2.7484 3.6696 3.6696 k = 0.0000 0.0000 0.5175 ( 9180 PWs) bands (ev): -11.7282 -11.7282 -11.4051 -11.4051 -11.3186 -11.3186 -11.2338 -11.2338 -7.9967 -7.9967 -7.9687 -7.9687 -7.3095 -7.3095 -7.2725 -7.2725 -7.2684 -7.2684 -7.1931 -7.1931 -7.1758 -7.1758 -5.5127 -5.5127 -5.4590 -5.4590 -5.4413 -5.4413 -4.0662 -4.0662 -1.8497 -1.8497 -1.6393 -1.6393 -1.4991 -1.4991 -1.4092 -1.4092 -0.9279 -0.9279 -0.8252 -0.8252 -0.6959 -0.6959 -0.6718 -0.6718 -0.4209 -0.4209 -0.3621 -0.3621 -0.2733 -0.2733 -0.1536 -0.1536 2.7483 2.7483 3.6691 3.6691 k = 0.0000 0.0000 0.5175 ( 9180 PWs) bands (ev): -11.7282 -11.7282 -11.4051 -11.4051 -11.3186 -11.3186 -11.2338 -11.2338 -7.9967 -7.9967 -7.9687 -7.9687 -7.3095 -7.3095 -7.2725 -7.2725 -7.2684 -7.2684 -7.1931 -7.1931 -7.1758 -7.1758 -5.5127 -5.5127 -5.4590 -5.4590 -5.4413 -5.4413 -4.0662 -4.0662 -1.8497 -1.8497 -1.6393 -1.6393 -1.4991 -1.4991 -1.4092 -1.4092 -0.9279 -0.9279 -0.8252 -0.8252 -0.6959 -0.6959 -0.6718 -0.6718 -0.4209 -0.4209 -0.3621 -0.3621 -0.2733 -0.2733 -0.1536 -0.1536 2.7483 2.7483 3.6691 3.6691 k =-0.0250 0.0067 0.5175 ( 9182 PWs) bands (ev): -11.7280 -11.7280 -11.4051 -11.4051 -11.3193 -11.3193 -11.2334 -11.2332 -7.9967 -7.9967 -7.9687 -7.9687 -7.3095 -7.3095 -7.2725 -7.2725 -7.2684 -7.2684 -7.1935 -7.1928 -7.1760 -7.1756 -5.5134 -5.5118 -5.4591 -5.4590 -5.4415 -5.4412 -4.0656 -4.0654 -1.8506 -1.8490 -1.6469 -1.6397 -1.5030 -1.4994 -1.4071 -1.4006 -0.9305 -0.9244 -0.8263 -0.8219 -0.6969 -0.6950 -0.6739 -0.6697 -0.4225 -0.4209 -0.3631 -0.3612 -0.2760 -0.2721 -0.1546 -0.1534 2.7501 2.7513 3.6691 3.6694 k =-0.0500 0.0133 0.5175 ( 9172 PWs) bands (ev): -11.7274 -11.7273 -11.4051 -11.4051 -11.3214 -11.3213 -11.2322 -11.2318 -7.9967 -7.9967 -7.9687 -7.9687 -7.3095 -7.3095 -7.2725 -7.2725 -7.2683 -7.2683 -7.1938 -7.1924 -7.1762 -7.1755 -5.5141 -5.5108 -5.4591 -5.4590 -5.4419 -5.4414 -4.0636 -4.0632 -1.8518 -1.8485 -1.6609 -1.6479 -1.5106 -1.5037 -1.3946 -1.3831 -0.9321 -0.9201 -0.8251 -0.8165 -0.6979 -0.6942 -0.6760 -0.6676 -0.4257 -0.4226 -0.3641 -0.3604 -0.2801 -0.2723 -0.1563 -0.1540 2.7567 2.7590 3.6693 3.6700 k =-0.0750 0.0200 0.5175 ( 9174 PWs) bands (ev): -11.7264 -11.7262 -11.4051 -11.4051 -11.3246 -11.3245 -11.2303 -11.2297 -7.9967 -7.9967 -7.9687 -7.9687 -7.3095 -7.3095 -7.2725 -7.2725 -7.2684 -7.2684 -7.1940 -7.1920 -7.1765 -7.1755 -5.5146 -5.5098 -5.4592 -5.4589 -5.4426 -5.4418 -4.0603 -4.0596 -1.8534 -1.8484 -1.6788 -1.6616 -1.5217 -1.5119 -1.3740 -1.3590 -0.9329 -0.9151 -0.8217 -0.8093 -0.6989 -0.6934 -0.6780 -0.6655 -0.4301 -0.4258 -0.3652 -0.3601 -0.2854 -0.2741 -0.1588 -0.1554 2.7679 2.7712 3.6698 3.6708 k =-0.1000 0.0267 0.5175 ( 9176 PWs) bands (ev): -11.7250 -11.7248 -11.4052 -11.4051 -11.3288 -11.3287 -11.2277 -11.2271 -7.9967 -7.9967 -7.9687 -7.9687 -7.3095 -7.3095 -7.2725 -7.2725 -7.2684 -7.2684 -7.1942 -7.1916 -7.1769 -7.1755 -5.5150 -5.5087 -5.4592 -5.4589 -5.4434 -5.4423 -4.0557 -4.0548 -1.8554 -1.8488 -1.6984 -1.6785 -1.5358 -1.5237 -1.3477 -1.3305 -0.9329 -0.9097 -0.8163 -0.8005 -0.6998 -0.6927 -0.6799 -0.6635 -0.4355 -0.4304 -0.3666 -0.3603 -0.2919 -0.2774 -0.1619 -0.1576 2.7835 2.7878 3.6703 3.6716 k =-0.1250 0.0333 0.5175 ( 9178 PWs) bands (ev): -11.7232 -11.7229 -11.4052 -11.4051 -11.3338 -11.3337 -11.2249 -11.2241 -7.9967 -7.9967 -7.9687 -7.9687 -7.3095 -7.3095 -7.2725 -7.2725 -7.2684 -7.2684 -7.1944 -7.1912 -7.1772 -7.1756 -5.5153 -5.5076 -5.4593 -5.4589 -5.4444 -5.4430 -4.0500 -4.0489 -1.8581 -1.8498 -1.7182 -1.6965 -1.5523 -1.5384 -1.3176 -1.2992 -0.9322 -0.9041 -0.8093 -0.7906 -0.7002 -0.6920 -0.6816 -0.6615 -0.4418 -0.4360 -0.3685 -0.3613 -0.2994 -0.2822 -0.1657 -0.1605 2.8035 2.8084 3.6708 3.6724 k =-0.1500 0.0400 0.5175 ( 9174 PWs) bands (ev): -11.7211 -11.7207 -11.4052 -11.4051 -11.3394 -11.3394 -11.2217 -11.2209 -7.9967 -7.9967 -7.9687 -7.9687 -7.3095 -7.3095 -7.2725 -7.2725 -7.2683 -7.2683 -7.1944 -7.1907 -7.1776 -7.1758 -5.5154 -5.5065 -5.4593 -5.4590 -5.4455 -5.4439 -4.0432 -4.0419 -1.8615 -1.8519 -1.7369 -1.7142 -1.5707 -1.5557 -1.2850 -1.2658 -0.9310 -0.8986 -0.8013 -0.7802 -0.7000 -0.6911 -0.6829 -0.6593 -0.4488 -0.4425 -0.3711 -0.3631 -0.3078 -0.2884 -0.1699 -0.1641 2.8273 2.8327 3.6709 3.6729 k =-0.1750 0.0467 0.5175 ( 9174 PWs) bands (ev): -11.7187 -11.7182 -11.4052 -11.4051 -11.3454 -11.3453 -11.2185 -11.2176 -7.9967 -7.9967 -7.9687 -7.9687 -7.3095 -7.3095 -7.2725 -7.2725 -7.2683 -7.2683 -7.1945 -7.1903 -7.1780 -7.1760 -5.5153 -5.5053 -5.4594 -5.4590 -5.4469 -5.4449 -4.0354 -4.0340 -1.8660 -1.8554 -1.7537 -1.7307 -1.5905 -1.5749 -1.2507 -1.2312 -0.9293 -0.8933 -0.7931 -0.7699 -0.6989 -0.6901 -0.6836 -0.6566 -0.4562 -0.4496 -0.3745 -0.3659 -0.3169 -0.2959 -0.1745 -0.1684 2.8546 2.8602 3.6706 3.6728 k =-0.2000 0.0533 0.5175 ( 9164 PWs) bands (ev): -11.7160 -11.7155 -11.4053 -11.4052 -11.3517 -11.3516 -11.2153 -11.2144 -7.9967 -7.9967 -7.9687 -7.9687 -7.3095 -7.3094 -7.2725 -7.2725 -7.2683 -7.2683 -7.1944 -7.1899 -7.1784 -7.1763 -5.5150 -5.5042 -5.4595 -5.4590 -5.4483 -5.4460 -4.0270 -4.0254 -1.8717 -1.8607 -1.7677 -1.7454 -1.6111 -1.5955 -1.2153 -1.1957 -0.9272 -0.8882 -0.7857 -0.7605 -0.6975 -0.6890 -0.6825 -0.6530 -0.4639 -0.4570 -0.3788 -0.3696 -0.3267 -0.3046 -0.1795 -0.1731 2.8850 2.8905 3.6694 3.6719 k =-0.2250 0.0600 0.5175 ( 9162 PWs) bands (ev): -11.7131 -11.7126 -11.4053 -11.4052 -11.3581 -11.3579 -11.2122 -11.2113 -7.9967 -7.9967 -7.9686 -7.9686 -7.3095 -7.3094 -7.2725 -7.2724 -7.2683 -7.2683 -7.1942 -7.1895 -7.1788 -7.1768 -5.5146 -5.5032 -5.4595 -5.4591 -5.4498 -5.4472 -4.0180 -4.0162 -1.8786 -1.8682 -1.7785 -1.7579 -1.6319 -1.6168 -1.1794 -1.1600 -0.9247 -0.8835 -0.7798 -0.7526 -0.6972 -0.6880 -0.6779 -0.6478 -0.4718 -0.4647 -0.3841 -0.3744 -0.3369 -0.3143 -0.1847 -0.1782 2.9178 2.9231 3.6672 3.6699 k =-0.2500 0.0667 0.5175 ( 9166 PWs) bands (ev): -11.7100 -11.7095 -11.4054 -11.4053 -11.3645 -11.3642 -11.2092 -11.2083 -7.9967 -7.9967 -7.9686 -7.9686 -7.3095 -7.3095 -7.2725 -7.2725 -7.2683 -7.2683 -7.1940 -7.1891 -7.1792 -7.1773 -5.5141 -5.5022 -5.4596 -5.4592 -5.4513 -5.4484 -4.0086 -4.0068 -1.8867 -1.8774 -1.7863 -1.7683 -1.6525 -1.6382 -1.1433 -1.1242 -0.9217 -0.8792 -0.7758 -0.7469 -0.6985 -0.6875 -0.6690 -0.6405 -0.4797 -0.4724 -0.3902 -0.3800 -0.3475 -0.3249 -0.1900 -0.1836 2.9525 2.9574 3.6638 3.6667 k =-0.2750 0.0733 0.5175 ( 9158 PWs) bands (ev): -11.7068 -11.7063 -11.4055 -11.4053 -11.3707 -11.3704 -11.2065 -11.2056 -7.9967 -7.9967 -7.9686 -7.9686 -7.3095 -7.3094 -7.2725 -7.2724 -7.2682 -7.2682 -7.1937 -7.1887 -7.1796 -7.1778 -5.5133 -5.5013 -5.4597 -5.4593 -5.4528 -5.4497 -3.9992 -3.9973 -1.8956 -1.8878 -1.7916 -1.7767 -1.6722 -1.6593 -1.1073 -1.0888 -0.9185 -0.8754 -0.7734 -0.7436 -0.7010 -0.6879 -0.6568 -0.6309 -0.4875 -0.4800 -0.3970 -0.3866 -0.3584 -0.3362 -0.1953 -0.1892 2.9883 2.9928 3.6590 3.6620 k =-0.3000 0.0800 0.5175 ( 9158 PWs) bands (ev): -11.7037 -11.7032 -11.4056 -11.4054 -11.3767 -11.3763 -11.2039 -11.2031 -7.9967 -7.9967 -7.9686 -7.9686 -7.3095 -7.3094 -7.2725 -7.2724 -7.2682 -7.2682 -7.1933 -7.1884 -7.1800 -7.1784 -5.5124 -5.5005 -5.4598 -5.4594 -5.4542 -5.4510 -3.9898 -3.9880 -1.9048 -1.8986 -1.7954 -1.7837 -1.6905 -1.6794 -1.0719 -1.0540 -0.9148 -0.8722 -0.7720 -0.7423 -0.7044 -0.6895 -0.6422 -0.6191 -0.4950 -0.4874 -0.4045 -0.3938 -0.3696 -0.3483 -0.2005 -0.1947 3.0246 3.0285 3.6529 3.6560 k =-0.3250 0.0867 0.5175 ( 9154 PWs) bands (ev): -11.7006 -11.7001 -11.4058 -11.4056 -11.3823 -11.3819 -11.2016 -11.2009 -7.9967 -7.9966 -7.9686 -7.9686 -7.3095 -7.3094 -7.2724 -7.2724 -7.2682 -7.2682 -7.1928 -7.1881 -7.1804 -7.1791 -5.5114 -5.4999 -5.4600 -5.4596 -5.4554 -5.4523 -3.9808 -3.9791 -1.9139 -1.9091 -1.7982 -1.7897 -1.7070 -1.6979 -1.0374 -1.0204 -0.9108 -0.8699 -0.7713 -0.7427 -0.7086 -0.6924 -0.6263 -0.6059 -0.5022 -0.4945 -0.4122 -0.4016 -0.3808 -0.3609 -0.2053 -0.2001 3.0605 3.0638 3.6458 3.6489 k =-0.3500 0.0933 0.5175 ( 9160 PWs) bands (ev): -11.6977 -11.6972 -11.4061 -11.4059 -11.3872 -11.3868 -11.1996 -11.1989 -7.9967 -7.9966 -7.9686 -7.9686 -7.3095 -7.3094 -7.2724 -7.2724 -7.2682 -7.2682 -7.1923 -7.1878 -7.1807 -7.1797 -5.5102 -5.4995 -5.4603 -5.4597 -5.4564 -5.4535 -3.9724 -3.9708 -1.9225 -1.9188 -1.8008 -1.7951 -1.7211 -1.7143 -1.0042 -0.9882 -0.9066 -0.8684 -0.7705 -0.7447 -0.7136 -0.6964 -0.6097 -0.5918 -0.5089 -0.5011 -0.4200 -0.4096 -0.3921 -0.3739 -0.2098 -0.2051 3.0950 3.0978 3.6380 3.6409 k =-0.3750 0.1000 0.5175 ( 9148 PWs) bands (ev): -11.6950 -11.6946 -11.4065 -11.4063 -11.3915 -11.3911 -11.1978 -11.1973 -7.9966 -7.9966 -7.9686 -7.9686 -7.3094 -7.3094 -7.2724 -7.2724 -7.2682 -7.2682 -7.1917 -7.1876 -7.1811 -7.1804 -5.5090 -5.4994 -5.4607 -5.4599 -5.4571 -5.4546 -3.9648 -3.9633 -1.9302 -1.9274 -1.8036 -1.8001 -1.7326 -1.7281 -0.9728 -0.9580 -0.9019 -0.8679 -0.7696 -0.7478 -0.7195 -0.7015 -0.5930 -0.5775 -0.5148 -0.5070 -0.4272 -0.4175 -0.4033 -0.3872 -0.2137 -0.2097 3.1272 3.1296 3.6299 3.6326 k =-0.4000 0.1067 0.5175 ( 9150 PWs) bands (ev): -11.6926 -11.6923 -11.4071 -11.4068 -11.3949 -11.3945 -11.1964 -11.1959 -7.9966 -7.9966 -7.9686 -7.9686 -7.3094 -7.3094 -7.2724 -7.2724 -7.2682 -7.2682 -7.1910 -7.1874 -7.1814 -7.1810 -5.5076 -5.4995 -5.4611 -5.4601 -5.4575 -5.4557 -3.9582 -3.9570 -1.9368 -1.9346 -1.8069 -1.8047 -1.7414 -1.7389 -0.9440 -0.9305 -0.8968 -0.8683 -0.7686 -0.7520 -0.7258 -0.7075 -0.5769 -0.5636 -0.5198 -0.5120 -0.4337 -0.4250 -0.4141 -0.4004 -0.2170 -0.2138 3.1560 3.1581 3.6223 3.6246 k =-0.4250 0.1133 0.5175 ( 9146 PWs) bands (ev): -11.6907 -11.6904 -11.4078 -11.4076 -11.3973 -11.3970 -11.1952 -11.1948 -7.9966 -7.9966 -7.9686 -7.9686 -7.3094 -7.3094 -7.2724 -7.2724 -7.2682 -7.2682 -7.1904 -7.1874 -7.1817 -7.1816 -5.5063 -5.4998 -5.4614 -5.4604 -5.4578 -5.4565 -3.9528 -3.9518 -1.9420 -1.9405 -1.8105 -1.8087 -1.7478 -1.7467 -0.9190 -0.9069 -0.8908 -0.8693 -0.7678 -0.7569 -0.7319 -0.7143 -0.5622 -0.5510 -0.5234 -0.5158 -0.4389 -0.4317 -0.4242 -0.4133 -0.2196 -0.2171 3.1803 3.1820 3.6155 3.6174 k =-0.4500 0.1200 0.5175 ( 9144 PWs) bands (ev): -11.6892 -11.6890 -11.4086 -11.4084 -11.3989 -11.3986 -11.1944 -11.1941 -7.9966 -7.9966 -7.9686 -7.9686 -7.3094 -7.3094 -7.2723 -7.2723 -7.2682 -7.2682 -7.1897 -7.1876 -7.1820 -7.1820 -5.5049 -5.5004 -5.4616 -5.4607 -5.4579 -5.4571 -3.9488 -3.9481 -1.9458 -1.9447 -1.8136 -1.8121 -1.7521 -1.7518 -0.9006 -0.8895 -0.8826 -0.8697 -0.7681 -0.7623 -0.7359 -0.7213 -0.5501 -0.5416 -0.5248 -0.5180 -0.4426 -0.4373 -0.4324 -0.4250 -0.2214 -0.2197 3.1989 3.2001 3.6103 3.6116 k =-0.4750 0.1267 0.5175 ( 9136 PWs) bands (ev): -11.6883 -11.6882 -11.4092 -11.4091 -11.3996 -11.3995 -11.1938 -11.1937 -7.9966 -7.9966 -7.9686 -7.9686 -7.3094 -7.3094 -7.2723 -7.2723 -7.2682 -7.2682 -7.1890 -7.1879 -7.1822 -7.1822 -5.5036 -5.5013 -5.4616 -5.4611 -5.4579 -5.4576 -3.9463 -3.9459 -1.9479 -1.9474 -1.8155 -1.8146 -1.7545 -1.7545 -0.8908 -0.8834 -0.8719 -0.8667 -0.7695 -0.7671 -0.7363 -0.7279 -0.5421 -0.5377 -0.5227 -0.5186 -0.4446 -0.4413 -0.4377 -0.4342 -0.2223 -0.2214 3.2107 3.2114 3.6071 3.6078 k =-0.5000 0.1334 0.5175 ( 9100 PWs) bands (ev): -11.6879 -11.6879 -11.4094 -11.4094 -11.3998 -11.3998 -11.1936 -11.1936 -7.9965 -7.9965 -7.9685 -7.9685 -7.3094 -7.3094 -7.2723 -7.2723 -7.2681 -7.2681 -7.1884 -7.1884 -7.1822 -7.1822 -5.5024 -5.5024 -5.4614 -5.4614 -5.4578 -5.4578 -3.9453 -3.9453 -1.9485 -1.9485 -1.8158 -1.8158 -1.7553 -1.7553 -0.8854 -0.8854 -0.8655 -0.8655 -0.7698 -0.7698 -0.7333 -0.7333 -0.5384 -0.5384 -0.5197 -0.5197 -0.4440 -0.4440 -0.4386 -0.4386 -0.2223 -0.2223 3.2150 3.2150 3.6062 3.6062 k =-0.5000 0.1334 0.5175 ( 9100 PWs) bands (ev): -11.6879 -11.6879 -11.4094 -11.4094 -11.3998 -11.3998 -11.1936 -11.1936 -7.9965 -7.9965 -7.9685 -7.9685 -7.3094 -7.3094 -7.2723 -7.2723 -7.2681 -7.2681 -7.1884 -7.1884 -7.1822 -7.1822 -5.5024 -5.5024 -5.4614 -5.4614 -5.4578 -5.4578 -3.9453 -3.9453 -1.9485 -1.9485 -1.8158 -1.8158 -1.7553 -1.7553 -0.8854 -0.8854 -0.8655 -0.8655 -0.7698 -0.7698 -0.7333 -0.7333 -0.5384 -0.5384 -0.5197 -0.5197 -0.4440 -0.4440 -0.4386 -0.4386 -0.2223 -0.2223 3.2150 3.2150 3.6062 3.6062 k =-0.4821 0.1286 0.4990 ( 9128 PWs) bands (ev): -11.6883 -11.6882 -11.4091 -11.4091 -11.3996 -11.3995 -11.1938 -11.1937 -7.9966 -7.9966 -7.9686 -7.9686 -7.3094 -7.3094 -7.2723 -7.2723 -7.2682 -7.2682 -7.1890 -7.1879 -7.1822 -7.1821 -5.5036 -5.5013 -5.4616 -5.4611 -5.4579 -5.4576 -3.9463 -3.9459 -1.9479 -1.9474 -1.8155 -1.8145 -1.7545 -1.7544 -0.8911 -0.8830 -0.8720 -0.8666 -0.7696 -0.7671 -0.7366 -0.7276 -0.5424 -0.5379 -0.5224 -0.5186 -0.4451 -0.4411 -0.4375 -0.4340 -0.2223 -0.2214 3.2106 3.2113 3.6071 3.6078 k =-0.4643 0.1238 0.4805 ( 9140 PWs) bands (ev): -11.6892 -11.6890 -11.4084 -11.4083 -11.3989 -11.3987 -11.1944 -11.1941 -7.9966 -7.9966 -7.9686 -7.9686 -7.3094 -7.3094 -7.2723 -7.2723 -7.2682 -7.2682 -7.1897 -7.1876 -7.1820 -7.1819 -5.5049 -5.5004 -5.4616 -5.4607 -5.4578 -5.4572 -3.9489 -3.9482 -1.9457 -1.9447 -1.8136 -1.8117 -1.7521 -1.7519 -0.9019 -0.8911 -0.8775 -0.8713 -0.7690 -0.7632 -0.7374 -0.7194 -0.5520 -0.5427 -0.5226 -0.5163 -0.4454 -0.4381 -0.4298 -0.4247 -0.2213 -0.2196 3.1985 3.1999 3.6104 3.6117 k =-0.4464 0.1191 0.4620 ( 9146 PWs) bands (ev): -11.6907 -11.6905 -11.4073 -11.4071 -11.3977 -11.3974 -11.1952 -11.1949 -7.9966 -7.9966 -7.9686 -7.9686 -7.3094 -7.3094 -7.2724 -7.2724 -7.2682 -7.2682 -7.1904 -7.1874 -7.1817 -7.1815 -5.5064 -5.4997 -5.4615 -5.4603 -5.4576 -5.4567 -3.9530 -3.9520 -1.9418 -1.9403 -1.8103 -1.8073 -1.7480 -1.7475 -0.9188 -0.9115 -0.8774 -0.8744 -0.7703 -0.7622 -0.7344 -0.7097 -0.5665 -0.5538 -0.5182 -0.5099 -0.4451 -0.4349 -0.4184 -0.4127 -0.2194 -0.2170 3.1796 3.1815 3.6157 3.6175 k =-0.4286 0.1143 0.4436 ( 9158 PWs) bands (ev): -11.6928 -11.6924 -11.4058 -11.4055 -11.3960 -11.3955 -11.1964 -11.1959 -7.9967 -7.9967 -7.9686 -7.9686 -7.3095 -7.3095 -7.2724 -7.2724 -7.2682 -7.2682 -7.1912 -7.1873 -7.1814 -7.1811 -5.5079 -5.4993 -5.4611 -5.4598 -5.4571 -5.4562 -3.9587 -3.9574 -1.9363 -1.9343 -1.8057 -1.8015 -1.7423 -1.7413 -0.9402 -0.9357 -0.8792 -0.8739 -0.7741 -0.7652 -0.7289 -0.7005 -0.5836 -0.5685 -0.5101 -0.5002 -0.4443 -0.4310 -0.4056 -0.3996 -0.2167 -0.2135 3.1549 3.1572 3.6225 3.6246 k =-0.4107 0.1095 0.4251 ( 9150 PWs) bands (ev): -11.6953 -11.6949 -11.4039 -11.4036 -11.3937 -11.3932 -11.1979 -11.1973 -7.9966 -7.9966 -7.9686 -7.9686 -7.3094 -7.3094 -7.2724 -7.2724 -7.2682 -7.2682 -7.1920 -7.1873 -7.1809 -7.1805 -5.5094 -5.4991 -5.4606 -5.4594 -5.4564 -5.4555 -3.9658 -3.9642 -1.9292 -1.9267 -1.8000 -1.7943 -1.7350 -1.7332 -0.9641 -0.9615 -0.8811 -0.8726 -0.7800 -0.7707 -0.7234 -0.6930 -0.6019 -0.5850 -0.4993 -0.4883 -0.4429 -0.4267 -0.3925 -0.3863 -0.2130 -0.2091 3.1256 3.1283 3.6304 3.6326 k =-0.3929 0.1048 0.4066 ( 9144 PWs) bands (ev): -11.6983 -11.6978 -11.4018 -11.4014 -11.3909 -11.3903 -11.1997 -11.1990 -7.9966 -7.9966 -7.9686 -7.9686 -7.3094 -7.3094 -7.2724 -7.2724 -7.2682 -7.2682 -7.1928 -7.1873 -7.1804 -7.1799 -5.5109 -5.4991 -5.4599 -5.4590 -5.4557 -5.4548 -3.9742 -3.9723 -1.9206 -1.9175 -1.7933 -1.7859 -1.7261 -1.7232 -0.9899 -0.9878 -0.8828 -0.8713 -0.7877 -0.7778 -0.7193 -0.6879 -0.6207 -0.6023 -0.4866 -0.4750 -0.4409 -0.4218 -0.3797 -0.3731 -0.2084 -0.2040 3.0929 3.0959 3.6388 3.6410 k =-0.3750 0.1000 0.3881 ( 9156 PWs) bands (ev): -11.7016 -11.7011 -11.3994 -11.3990 -11.3876 -11.3869 -11.2018 -11.2010 -7.9966 -7.9966 -7.9686 -7.9686 -7.3094 -7.3094 -7.2724 -7.2724 -7.2682 -7.2682 -7.1936 -7.1874 -7.1799 -7.1793 -5.5125 -5.4993 -5.4591 -5.4584 -5.4548 -5.4541 -3.9838 -3.9816 -1.9106 -1.9070 -1.7857 -1.7765 -1.7156 -1.7114 -1.0167 -1.0138 -0.8843 -0.8701 -0.7969 -0.7859 -0.7170 -0.6853 -0.6393 -0.6201 -0.4732 -0.4612 -0.4379 -0.4164 -0.3675 -0.3604 -0.2031 -0.1981 3.0578 3.0610 3.6477 3.6497 k =-0.3571 0.0953 0.3696 ( 9160 PWs) bands (ev): -11.7052 -11.7046 -11.3968 -11.3964 -11.3839 -11.3831 -11.2042 -11.2033 -7.9966 -7.9966 -7.9687 -7.9687 -7.3094 -7.3094 -7.2725 -7.2724 -7.2683 -7.2682 -7.1944 -7.1876 -7.1794 -7.1786 -5.5139 -5.4998 -5.4583 -5.4575 -5.4539 -5.4533 -3.9944 -3.9919 -1.8991 -1.8950 -1.7774 -1.7663 -1.7034 -1.6978 -1.0437 -1.0397 -0.8858 -0.8692 -0.8073 -0.7947 -0.7165 -0.6856 -0.6568 -0.6378 -0.4601 -0.4485 -0.4330 -0.4104 -0.3561 -0.3482 -0.1969 -0.1916 3.0211 3.0245 3.6566 3.6583 k =-0.3393 0.0905 0.3511 ( 9170 PWs) bands (ev): -11.7091 -11.7085 -11.3940 -11.3935 -11.3798 -11.3790 -11.2069 -11.2059 -7.9967 -7.9967 -7.9687 -7.9687 -7.3095 -7.3094 -7.2725 -7.2725 -7.2683 -7.2682 -7.1951 -7.1877 -7.1788 -7.1780 -5.5154 -5.5004 -5.4576 -5.4564 -5.4529 -5.4524 -4.0058 -4.0032 -1.8864 -1.8816 -1.7684 -1.7553 -1.6898 -1.6826 -1.0703 -1.0654 -0.8874 -0.8687 -0.8188 -0.8040 -0.7177 -0.6904 -0.6711 -0.6552 -0.4485 -0.4393 -0.4241 -0.4039 -0.3455 -0.3368 -0.1901 -0.1846 2.9837 2.9873 3.6655 3.6668 k =-0.3214 0.0857 0.3327 ( 9162 PWs) bands (ev): -11.7131 -11.7125 -11.3910 -11.3904 -11.3755 -11.3747 -11.2099 -11.2088 -7.9966 -7.9966 -7.9687 -7.9687 -7.3094 -7.3094 -7.2725 -7.2725 -7.2683 -7.2683 -7.1958 -7.1879 -7.1782 -7.1774 -5.5167 -5.5012 -5.4569 -5.4552 -5.4520 -5.4515 -4.0180 -4.0152 -1.8724 -1.8671 -1.7588 -1.7439 -1.6747 -1.6660 -1.0963 -1.0906 -0.8892 -0.8689 -0.8310 -0.8133 -0.7206 -0.7020 -0.6800 -0.6716 -0.4401 -0.4320 -0.4121 -0.3969 -0.3358 -0.3261 -0.1827 -0.1771 2.9461 2.9498 3.6742 3.6750 k =-0.3036 0.0810 0.3142 ( 9173 PWs) bands (ev): -11.7172 -11.7166 -11.3878 -11.3871 -11.3709 -11.3701 -11.2131 -11.2119 -7.9967 -7.9967 -7.9687 -7.9687 -7.3095 -7.3094 -7.2725 -7.2725 -7.2684 -7.2683 -7.1964 -7.1882 -7.1776 -7.1768 -5.5180 -5.5021 -5.4561 -5.4538 -5.4510 -5.4506 -4.0308 -4.0278 -1.8573 -1.8515 -1.7486 -1.7320 -1.6582 -1.6482 -1.1215 -1.1151 -0.8916 -0.8703 -0.8435 -0.8221 -0.7258 -0.7163 -0.6905 -0.6823 -0.4350 -0.4242 -0.4001 -0.3896 -0.3270 -0.3163 -0.1748 -0.1692 2.9090 2.9129 3.6825 3.6830 k =-0.2857 0.0762 0.2957 ( 9185 PWs) bands (ev): -11.7214 -11.7207 -11.3843 -11.3836 -11.3663 -11.3655 -11.2166 -11.2153 -7.9967 -7.9967 -7.9687 -7.9687 -7.3095 -7.3094 -7.2725 -7.2725 -7.2684 -7.2683 -7.1970 -7.1884 -7.1770 -7.1762 -5.5192 -5.5031 -5.4552 -5.4524 -5.4501 -5.4496 -4.0439 -4.0408 -1.8413 -1.8348 -1.7378 -1.7199 -1.6407 -1.6295 -1.1457 -1.1389 -0.8950 -0.8737 -0.8553 -0.8296 -0.7358 -0.7280 -0.7045 -0.6879 -0.4313 -0.4169 -0.3893 -0.3822 -0.3191 -0.3074 -0.1666 -0.1611 2.8728 2.8768 3.6902 3.6910 k =-0.2679 0.0714 0.2772 ( 9183 PWs) bands (ev): -11.7256 -11.7249 -11.3806 -11.3798 -11.3616 -11.3608 -11.2203 -11.2190 -7.9967 -7.9967 -7.9687 -7.9687 -7.3095 -7.3094 -7.2726 -7.2725 -7.2685 -7.2683 -7.1975 -7.1887 -7.1763 -7.1756 -5.5202 -5.5041 -5.4544 -5.4510 -5.4493 -5.4486 -4.0572 -4.0540 -1.8245 -1.8173 -1.7266 -1.7076 -1.6222 -1.6102 -1.1689 -1.1617 -0.9005 -0.8806 -0.8646 -0.8353 -0.7497 -0.7374 -0.7172 -0.6933 -0.4279 -0.4106 -0.3802 -0.3752 -0.3122 -0.2995 -0.1581 -0.1529 2.8380 2.8420 3.6974 3.6988 k =-0.2500 0.0667 0.2587 ( 9191 PWs) bands (ev): -11.7297 -11.7290 -11.3768 -11.3759 -11.3569 -11.3561 -11.2242 -11.2228 -7.9967 -7.9967 -7.9688 -7.9688 -7.3095 -7.3095 -7.2726 -7.2726 -7.2685 -7.2683 -7.1979 -7.1890 -7.1757 -7.1751 -5.5212 -5.5053 -5.4534 -5.4496 -5.4484 -5.4476 -4.0706 -4.0673 -1.8070 -1.7991 -1.7149 -1.6953 -1.6031 -1.5905 -1.1907 -1.1834 -0.9087 -0.8910 -0.8704 -0.8389 -0.7637 -0.7479 -0.7279 -0.6991 -0.4247 -0.4051 -0.3728 -0.3689 -0.3062 -0.2928 -0.1496 -0.1447 2.8048 2.8089 3.7044 3.7063 k =-0.2321 0.0619 0.2403 ( 9195 PWs) bands (ev): -11.7337 -11.7331 -11.3727 -11.3718 -11.3523 -11.3515 -11.2283 -11.2269 -7.9967 -7.9967 -7.9688 -7.9688 -7.3095 -7.3095 -7.2726 -7.2726 -7.2685 -7.2684 -7.1983 -7.1894 -7.1751 -7.1745 -5.5220 -5.5065 -5.4525 -5.4483 -5.4476 -5.4466 -4.0838 -4.0805 -1.7891 -1.7804 -1.7028 -1.6829 -1.5838 -1.5708 -1.2112 -1.2039 -0.9198 -0.9029 -0.8738 -0.8410 -0.7770 -0.7593 -0.7373 -0.7053 -0.4216 -0.4004 -0.3670 -0.3636 -0.3013 -0.2873 -0.1412 -0.1365 2.7736 2.7777 3.7110 3.7135 k =-0.2143 0.0572 0.2218 ( 9201 PWs) bands (ev): -11.7375 -11.7369 -11.3685 -11.3675 -11.3478 -11.3471 -11.2327 -11.2312 -7.9967 -7.9967 -7.9688 -7.9688 -7.3095 -7.3095 -7.2726 -7.2726 -7.2686 -7.2684 -7.1986 -7.1898 -7.1745 -7.1740 -5.5227 -5.5077 -5.4515 -5.4471 -5.4467 -5.4456 -4.0967 -4.0935 -1.7709 -1.7613 -1.6904 -1.6706 -1.5644 -1.5516 -1.2301 -1.2231 -0.9327 -0.9153 -0.8757 -0.8423 -0.7894 -0.7705 -0.7461 -0.7120 -0.4185 -0.3964 -0.3626 -0.3594 -0.2975 -0.2831 -0.1330 -0.1286 2.7445 2.7486 3.7175 3.7205 k =-0.1964 0.0524 0.2033 ( 9189 PWs) bands (ev): -11.7412 -11.7406 -11.3641 -11.3630 -11.3435 -11.3428 -11.2371 -11.2357 -7.9967 -7.9967 -7.9688 -7.9688 -7.3094 -7.3094 -7.2726 -7.2726 -7.2686 -7.2684 -7.1988 -7.1902 -7.1740 -7.1736 -5.5232 -5.5090 -5.4505 -5.4463 -5.4456 -5.4445 -4.1092 -4.1061 -1.7526 -1.7422 -1.6776 -1.6585 -1.5456 -1.5331 -1.2473 -1.2407 -0.9463 -0.9281 -0.8768 -0.8432 -0.8008 -0.7808 -0.7550 -0.7190 -0.4154 -0.3931 -0.3593 -0.3564 -0.2948 -0.2802 -0.1250 -0.1210 2.7177 2.7217 3.7237 3.7272 k =-0.1786 0.0476 0.1848 ( 9195 PWs) bands (ev): -11.7447 -11.7441 -11.3596 -11.3585 -11.3394 -11.3388 -11.2418 -11.2403 -7.9967 -7.9967 -7.9688 -7.9688 -7.3095 -7.3094 -7.2727 -7.2726 -7.2686 -7.2684 -7.1989 -7.1907 -7.1735 -7.1731 -5.5237 -5.5103 -5.4496 -5.4457 -5.4444 -5.4435 -4.1211 -4.1181 -1.7346 -1.7231 -1.6646 -1.6467 -1.5276 -1.5160 -1.2626 -1.2565 -0.9598 -0.9409 -0.8772 -0.8443 -0.8114 -0.7899 -0.7640 -0.7263 -0.4123 -0.3904 -0.3570 -0.3544 -0.2930 -0.2784 -0.1174 -0.1138 2.6933 2.6972 3.7298 3.7336 k =-0.1607 0.0429 0.1663 ( 9199 PWs) bands (ev): -11.7479 -11.7474 -11.3550 -11.3538 -11.3355 -11.3350 -11.2465 -11.2450 -7.9967 -7.9967 -7.9688 -7.9688 -7.3095 -7.3095 -7.2727 -7.2727 -7.2686 -7.2684 -7.1989 -7.1912 -7.1730 -7.1727 -5.5240 -5.5115 -5.4487 -5.4451 -5.4434 -5.4425 -4.1323 -4.1294 -1.7169 -1.7044 -1.6514 -1.6353 -1.5111 -1.5008 -1.2757 -1.2704 -0.9728 -0.9536 -0.8771 -0.8458 -0.8211 -0.7974 -0.7732 -0.7338 -0.4093 -0.3886 -0.3556 -0.3531 -0.2922 -0.2778 -0.1104 -0.1071 2.6713 2.6751 3.7356 3.7396 k =-0.1429 0.0381 0.1479 ( 9201 PWs) bands (ev): -11.7508 -11.7504 -11.3504 -11.3491 -11.3319 -11.3315 -11.2513 -11.2498 -7.9967 -7.9967 -7.9688 -7.9688 -7.3095 -7.3095 -7.2727 -7.2727 -7.2686 -7.2684 -7.1989 -7.1918 -7.1725 -7.1723 -5.5242 -5.5128 -5.4478 -5.4446 -5.4425 -5.4416 -4.1426 -4.1400 -1.7000 -1.6864 -1.6380 -1.6243 -1.4967 -1.4880 -1.2863 -1.2819 -0.9848 -0.9658 -0.8767 -0.8481 -0.8299 -0.8031 -0.7825 -0.7415 -0.4065 -0.3875 -0.3550 -0.3521 -0.2922 -0.2780 -0.1038 -0.1009 2.6518 2.6554 3.7412 3.7452 k =-0.1250 0.0333 0.1294 ( 9201 PWs) bands (ev): -11.7535 -11.7531 -11.3457 -11.3444 -11.3286 -11.3283 -11.2561 -11.2547 -7.9967 -7.9967 -7.9688 -7.9688 -7.3095 -7.3094 -7.2727 -7.2727 -7.2686 -7.2684 -7.1988 -7.1923 -7.1721 -7.1719 -5.5242 -5.5140 -5.4470 -5.4442 -5.4416 -5.4407 -4.1520 -4.1496 -1.6841 -1.6695 -1.6247 -1.6137 -1.4850 -1.4783 -1.2942 -1.2908 -0.9955 -0.9773 -0.8759 -0.8510 -0.8377 -0.8070 -0.7917 -0.7491 -0.4038 -0.3872 -0.3551 -0.3512 -0.2927 -0.2790 -0.0979 -0.0953 2.6348 2.6380 3.7463 3.7503 k =-0.1071 0.0286 0.1109 ( 9203 PWs) bands (ev): -11.7558 -11.7554 -11.3411 -11.3397 -11.3256 -11.3254 -11.2609 -11.2595 -7.9967 -7.9967 -7.9688 -7.9688 -7.3095 -7.3094 -7.2728 -7.2727 -7.2686 -7.2684 -7.1986 -7.1929 -7.1717 -7.1716 -5.5241 -5.5152 -5.4462 -5.4438 -5.4408 -5.4399 -4.1603 -4.1582 -1.6693 -1.6541 -1.6115 -1.6036 -1.4766 -1.4719 -1.2994 -1.2969 -1.0048 -0.9879 -0.8748 -0.8546 -0.8444 -0.8099 -0.8002 -0.7567 -0.4014 -0.3876 -0.3556 -0.3505 -0.2935 -0.2805 -0.0926 -0.0904 2.6202 2.6231 3.7510 3.7548 k =-0.0893 0.0238 0.0924 ( 9203 PWs) bands (ev): -11.7578 -11.7575 -11.3367 -11.3353 -11.3229 -11.3228 -11.2656 -11.2643 -7.9967 -7.9967 -7.9689 -7.9689 -7.3094 -7.3094 -7.2728 -7.2727 -7.2686 -7.2685 -7.1984 -7.1935 -7.1714 -7.1713 -5.5239 -5.5163 -5.4456 -5.4435 -5.4401 -5.4392 -4.1674 -4.1656 -1.6560 -1.6408 -1.5987 -1.5939 -1.4716 -1.4688 -1.3021 -1.3003 -1.0123 -0.9973 -0.8735 -0.8584 -0.8500 -0.8143 -0.8054 -0.7641 -0.3994 -0.3885 -0.3560 -0.3500 -0.2944 -0.2824 -0.0880 -0.0862 2.6080 2.6105 3.7552 3.7586 k =-0.0714 0.0191 0.0739 ( 9201 PWs) bands (ev): -11.7594 -11.7592 -11.3326 -11.3313 -11.3204 -11.3204 -11.2701 -11.2689 -7.9967 -7.9967 -7.9689 -7.9689 -7.3094 -7.3094 -7.2728 -7.2728 -7.2686 -7.2685 -7.1981 -7.1941 -7.1712 -7.1711 -5.5236 -5.5175 -5.4450 -5.4434 -5.4394 -5.4387 -4.1734 -4.1719 -1.6443 -1.6301 -1.5869 -1.5845 -1.4697 -1.4685 -1.3028 -1.3014 -1.0181 -1.0055 -0.8723 -0.8621 -0.8541 -0.8216 -0.8061 -0.7712 -0.3978 -0.3898 -0.3562 -0.3499 -0.2950 -0.2846 -0.0842 -0.0827 2.5982 2.6003 3.7587 3.7616 k =-0.0536 0.0143 0.0554 ( 9207 PWs) bands (ev): -11.7607 -11.7605 -11.3290 -11.3279 -11.3182 -11.3182 -11.2742 -11.2731 -7.9967 -7.9967 -7.9689 -7.9689 -7.3094 -7.3094 -7.2728 -7.2728 -7.2686 -7.2685 -7.1977 -7.1947 -7.1710 -7.1709 -5.5232 -5.5185 -5.4445 -5.4433 -5.4389 -5.4383 -4.1780 -4.1768 -1.6344 -1.6224 -1.5763 -1.5758 -1.4704 -1.4700 -1.3022 -1.3011 -1.0221 -1.0122 -0.8714 -0.8653 -0.8561 -0.8294 -0.8047 -0.7779 -0.3966 -0.3911 -0.3560 -0.3501 -0.2953 -0.2868 -0.0811 -0.0800 2.5907 2.5923 3.7617 3.7639 k =-0.0357 0.0095 0.0370 ( 9193 PWs) bands (ev): -11.7616 -11.7615 -11.3263 -11.3255 -11.3163 -11.3162 -11.2775 -11.2767 -7.9967 -7.9967 -7.9689 -7.9688 -7.3094 -7.3094 -7.2728 -7.2728 -7.2686 -7.2685 -7.1973 -7.1953 -7.1708 -7.1708 -5.5226 -5.5195 -5.4440 -5.4432 -5.4385 -5.4381 -4.1813 -4.1805 -1.6265 -1.6178 -1.5682 -1.5679 -1.4726 -1.4722 -1.3011 -1.3003 -1.0244 -1.0176 -0.8711 -0.8680 -0.8558 -0.8368 -0.8022 -0.7841 -0.3957 -0.3924 -0.3554 -0.3508 -0.2950 -0.2890 -0.0789 -0.0782 2.5854 2.5865 3.7639 3.7654 k =-0.0179 0.0048 0.0185 ( 9197 PWs) bands (ev): -11.7621 -11.7621 -11.3245 -11.3241 -11.3148 -11.3147 -11.2797 -11.2793 -7.9967 -7.9967 -7.9689 -7.9689 -7.3094 -7.3094 -7.2728 -7.2728 -7.2686 -7.2685 -7.1968 -7.1958 -7.1707 -7.1707 -5.5220 -5.5204 -5.4437 -5.4433 -5.4382 -5.4380 -4.1832 -4.1828 -1.6206 -1.6161 -1.5628 -1.5625 -1.4746 -1.4743 -1.3000 -1.2996 -1.0249 -1.0215 -0.8712 -0.8699 -0.8531 -0.8433 -0.7988 -0.7897 -0.3950 -0.3935 -0.3544 -0.3519 -0.2942 -0.2911 -0.0775 -0.0771 2.5824 2.5829 3.7654 3.7662 k = 0.0000 0.0000 0.0000 ( 9205 PWs) bands (ev): -11.7623 -11.7623 -11.3238 -11.3238 -11.3142 -11.3142 -11.2804 -11.2804 -7.9967 -7.9967 -7.9689 -7.9689 -7.3094 -7.3094 -7.2728 -7.2728 -7.2686 -7.2686 -7.1964 -7.1964 -7.1707 -7.1707 -5.5212 -5.5212 -5.4435 -5.4435 -5.4380 -5.4380 -4.1837 -4.1837 -1.6171 -1.6171 -1.5607 -1.5607 -1.4753 -1.4753 -1.2995 -1.2995 -1.0240 -1.0240 -0.8709 -0.8709 -0.8489 -0.8489 -0.7946 -0.7946 -0.3943 -0.3943 -0.3531 -0.3531 -0.2928 -0.2928 -0.0769 -0.0769 2.5816 2.5816 3.7662 3.7662 k = 0.0000 0.0000 0.0000 ( 9205 PWs) bands (ev): -11.7623 -11.7623 -11.3238 -11.3238 -11.3142 -11.3142 -11.2804 -11.2804 -7.9967 -7.9967 -7.9689 -7.9689 -7.3094 -7.3094 -7.2728 -7.2728 -7.2686 -7.2686 -7.1964 -7.1964 -7.1707 -7.1707 -5.5212 -5.5212 -5.4435 -5.4435 -5.4380 -5.4380 -4.1837 -4.1837 -1.6171 -1.6171 -1.5607 -1.5607 -1.4753 -1.4753 -1.2995 -1.2995 -1.0240 -1.0240 -0.8709 -0.8709 -0.8489 -0.8489 -0.7946 -0.7946 -0.3943 -0.3943 -0.3531 -0.3531 -0.2928 -0.2928 -0.0769 -0.0769 2.5816 2.5816 3.7662 3.7662 k = 0.0068 0.0255-0.0000 ( 9225 PWs) bands (ev): -11.7619 -11.7619 -11.3238 -11.3238 -11.3141 -11.3141 -11.2803 -11.2803 -7.9967 -7.9967 -7.9689 -7.9689 -7.3094 -7.3094 -7.2729 -7.2729 -7.2686 -7.2686 -7.1964 -7.1964 -7.1705 -7.1705 -5.5213 -5.5213 -5.4432 -5.4432 -5.4380 -5.4380 -4.1833 -4.1833 -1.6181 -1.6181 -1.5614 -1.5614 -1.4745 -1.4745 -1.2994 -1.2994 -1.0355 -1.0355 -0.8710 -0.8710 -0.8446 -0.8446 -0.7882 -0.7882 -0.3944 -0.3944 -0.3532 -0.3532 -0.2931 -0.2931 -0.0786 -0.0786 2.5831 2.5831 3.7671 3.7671 k = 0.0136 0.0510-0.0000 ( 9221 PWs) bands (ev): -11.7607 -11.7607 -11.3236 -11.3236 -11.3140 -11.3140 -11.2803 -11.2803 -7.9966 -7.9966 -7.9689 -7.9689 -7.3092 -7.3092 -7.2730 -7.2730 -7.2686 -7.2686 -7.1966 -7.1966 -7.1701 -7.1701 -5.5215 -5.5215 -5.4426 -5.4426 -5.4380 -5.4380 -4.1823 -4.1823 -1.6211 -1.6211 -1.5634 -1.5634 -1.4724 -1.4724 -1.2991 -1.2991 -1.0646 -1.0646 -0.8712 -0.8712 -0.8380 -0.8380 -0.7683 -0.7683 -0.3948 -0.3947 -0.3535 -0.3535 -0.2940 -0.2940 -0.0837 -0.0837 2.5875 2.5875 3.7698 3.7698 k = 0.0204 0.0765 0.0000 ( 9205 PWs) bands (ev): -11.7587 -11.7587 -11.3233 -11.3233 -11.3137 -11.3137 -11.2802 -11.2802 -7.9964 -7.9964 -7.9689 -7.9689 -7.3089 -7.3089 -7.2731 -7.2731 -7.2685 -7.2685 -7.1969 -7.1968 -7.1693 -7.1693 -5.5218 -5.5218 -5.4415 -5.4415 -5.4380 -5.4379 -4.1807 -4.1807 -1.6260 -1.6260 -1.5668 -1.5667 -1.4689 -1.4689 -1.2988 -1.2988 -1.1026 -1.1026 -0.8716 -0.8716 -0.8343 -0.8343 -0.7379 -0.7379 -0.3953 -0.3953 -0.3540 -0.3540 -0.2955 -0.2955 -0.0921 -0.0921 2.5948 2.5948 3.7742 3.7743 k = 0.0272 0.1020-0.0000 ( 9209 PWs) bands (ev): -11.7560 -11.7560 -11.3228 -11.3228 -11.3133 -11.3133 -11.2801 -11.2801 -7.9962 -7.9962 -7.9689 -7.9689 -7.3085 -7.3085 -7.2734 -7.2734 -7.2685 -7.2685 -7.1972 -7.1972 -7.1682 -7.1682 -5.5222 -5.5222 -5.4399 -5.4399 -5.4379 -5.4379 -4.1783 -4.1783 -1.6330 -1.6330 -1.5715 -1.5715 -1.4646 -1.4646 -1.2990 -1.2990 -1.1439 -1.1438 -0.8720 -0.8720 -0.8328 -0.8328 -0.7025 -0.7024 -0.3961 -0.3961 -0.3547 -0.3547 -0.2976 -0.2976 -0.1036 -0.1036 2.6047 2.6047 3.7805 3.7805 k = 0.0340 0.1275-0.0000 ( 9201 PWs) bands (ev): -11.7524 -11.7524 -11.3223 -11.3223 -11.3129 -11.3129 -11.2800 -11.2800 -7.9959 -7.9959 -7.9690 -7.9690 -7.3080 -7.3080 -7.2737 -7.2737 -7.2684 -7.2684 -7.1977 -7.1976 -7.1668 -7.1668 -5.5227 -5.5227 -5.4381 -5.4380 -5.4378 -5.4377 -4.1754 -4.1754 -1.6419 -1.6419 -1.5778 -1.5777 -1.4601 -1.4601 -1.3005 -1.3005 -1.1843 -1.1843 -0.8722 -0.8722 -0.8322 -0.8322 -0.6655 -0.6655 -0.3971 -0.3971 -0.3557 -0.3557 -0.3003 -0.3003 -0.1179 -0.1179 2.6171 2.6171 3.7885 3.7885 k = 0.0408 0.1530 0.0000 ( 9209 PWs) bands (ev): -11.7482 -11.7482 -11.3216 -11.3216 -11.3123 -11.3123 -11.2800 -11.2799 -7.9956 -7.9956 -7.9690 -7.9690 -7.3074 -7.3074 -7.2740 -7.2740 -7.2684 -7.2684 -7.1982 -7.1982 -7.1652 -7.1652 -5.5233 -5.5233 -5.4378 -5.4378 -5.4356 -5.4356 -4.1718 -4.1718 -1.6529 -1.6529 -1.5855 -1.5855 -1.4569 -1.4569 -1.3057 -1.3057 -1.2191 -1.2190 -0.8723 -0.8723 -0.8318 -0.8318 -0.6287 -0.6287 -0.3984 -0.3984 -0.3569 -0.3569 -0.3036 -0.3036 -0.1347 -0.1347 2.6316 2.6316 3.7983 3.7983 k = 0.0476 0.1785 0.0000 ( 9197 PWs) bands (ev): -11.7431 -11.7431 -11.3209 -11.3209 -11.3116 -11.3116 -11.2799 -11.2799 -7.9952 -7.9952 -7.9691 -7.9691 -7.3066 -7.3066 -7.2745 -7.2745 -7.2683 -7.2683 -7.1987 -7.1987 -7.1634 -7.1634 -5.5240 -5.5240 -5.4377 -5.4377 -5.4329 -5.4329 -4.1675 -4.1675 -1.6659 -1.6658 -1.5949 -1.5948 -1.4580 -1.4580 -1.3172 -1.3172 -1.2417 -1.2417 -0.8721 -0.8721 -0.8314 -0.8314 -0.5931 -0.5931 -0.4000 -0.4000 -0.3583 -0.3583 -0.3075 -0.3075 -0.1536 -0.1536 2.6479 2.6479 3.8097 3.8097 k = 0.0544 0.2039-0.0000 ( 9181 PWs) bands (ev): -11.7374 -11.7374 -11.3200 -11.3200 -11.3109 -11.3109 -11.2798 -11.2798 -7.9948 -7.9948 -7.9691 -7.9691 -7.3058 -7.3058 -7.2749 -7.2749 -7.2682 -7.2682 -7.1993 -7.1993 -7.1613 -7.1613 -5.5249 -5.5249 -5.4376 -5.4376 -5.4298 -5.4298 -4.1627 -4.1627 -1.6809 -1.6808 -1.6058 -1.6058 -1.4684 -1.4684 -1.3306 -1.3306 -1.2509 -1.2509 -0.8714 -0.8714 -0.8306 -0.8306 -0.5594 -0.5593 -0.4019 -0.4019 -0.3601 -0.3601 -0.3120 -0.3120 -0.1740 -0.1740 2.6656 2.6656 3.8227 3.8227 k = 0.0612 0.2294 0.0000 ( 9145 PWs) bands (ev): -11.7309 -11.7309 -11.3191 -11.3191 -11.3101 -11.3101 -11.2797 -11.2797 -7.9942 -7.9942 -7.9691 -7.9691 -7.3047 -7.3047 -7.2754 -7.2754 -7.2681 -7.2681 -7.2000 -7.1999 -7.1591 -7.1591 -5.5258 -5.5258 -5.4375 -5.4375 -5.4264 -5.4264 -4.1573 -4.1573 -1.6979 -1.6979 -1.6183 -1.6183 -1.4921 -1.4921 -1.3362 -1.3362 -1.2521 -1.2521 -0.8700 -0.8700 -0.8293 -0.8293 -0.5280 -0.5280 -0.4042 -0.4042 -0.3621 -0.3621 -0.3170 -0.3170 -0.1954 -0.1954 2.6843 2.6843 3.8373 3.8374 k = 0.0680 0.2549 0.0000 ( 9161 PWs) bands (ev): -11.7237 -11.7237 -11.3181 -11.3181 -11.3092 -11.3092 -11.2797 -11.2797 -7.9937 -7.9937 -7.9692 -7.9692 -7.3038 -7.3038 -7.2760 -7.2760 -7.2680 -7.2680 -7.2006 -7.2006 -7.1567 -7.1567 -5.5268 -5.5268 -5.4373 -5.4373 -5.4227 -5.4227 -4.1513 -4.1513 -1.7171 -1.7171 -1.6325 -1.6325 -1.5269 -1.5269 -1.3320 -1.3320 -1.2494 -1.2494 -0.8680 -0.8680 -0.8274 -0.8273 -0.4996 -0.4995 -0.4069 -0.4069 -0.3646 -0.3645 -0.3227 -0.3227 -0.2170 -0.2170 2.7036 2.7036 3.8535 3.8535 k = 0.0748 0.2804-0.0000 ( 9165 PWs) bands (ev): -11.7159 -11.7159 -11.3170 -11.3170 -11.3083 -11.3083 -11.2798 -11.2798 -7.9932 -7.9932 -7.9693 -7.9693 -7.3026 -7.3026 -7.2767 -7.2767 -7.2679 -7.2679 -7.2013 -7.2013 -7.1541 -7.1541 -5.5279 -5.5279 -5.4372 -5.4372 -5.4188 -5.4188 -4.1448 -4.1448 -1.7384 -1.7384 -1.6482 -1.6482 -1.5675 -1.5675 -1.3210 -1.3210 -1.2444 -1.2444 -0.8651 -0.8651 -0.8246 -0.8246 -0.4749 -0.4749 -0.4100 -0.4100 -0.3675 -0.3674 -0.3288 -0.3288 -0.2377 -0.2377 2.7232 2.7232 3.8710 3.8710 k = 0.0816 0.3059 0.0000 ( 9165 PWs) bands (ev): -11.7074 -11.7074 -11.3159 -11.3159 -11.3074 -11.3074 -11.2800 -11.2800 -7.9926 -7.9926 -7.9694 -7.9694 -7.3015 -7.3015 -7.2773 -7.2773 -7.2678 -7.2678 -7.2020 -7.2020 -7.1514 -7.1514 -5.5291 -5.5291 -5.4370 -5.4370 -5.4146 -5.4146 -4.1377 -4.1377 -1.7620 -1.7620 -1.6654 -1.6654 -1.6103 -1.6103 -1.3061 -1.3061 -1.2377 -1.2377 -0.8614 -0.8614 -0.8210 -0.8210 -0.4552 -0.4551 -0.4135 -0.4134 -0.3711 -0.3710 -0.3354 -0.3354 -0.2561 -0.2561 2.7426 2.7426 3.8898 3.8898 k = 0.0884 0.3314 0.0000 ( 9181 PWs) bands (ev): -11.6984 -11.6984 -11.3148 -11.3148 -11.3064 -11.3064 -11.2802 -11.2802 -7.9920 -7.9920 -7.9695 -7.9695 -7.3003 -7.3003 -7.2781 -7.2781 -7.2677 -7.2677 -7.2028 -7.2028 -7.1486 -7.1486 -5.5303 -5.5303 -5.4368 -5.4368 -5.4102 -5.4102 -4.1303 -4.1303 -1.7880 -1.7880 -1.6840 -1.6840 -1.6530 -1.6530 -1.2893 -1.2893 -1.2290 -1.2290 -0.8567 -0.8567 -0.8164 -0.8164 -0.4421 -0.4421 -0.4170 -0.4170 -0.3759 -0.3758 -0.3419 -0.3419 -0.2703 -0.2703 2.7616 2.7616 3.9096 3.9096 k = 0.0952 0.3569 0.0000 ( 9197 PWs) bands (ev): -11.6888 -11.6888 -11.3136 -11.3136 -11.3054 -11.3054 -11.2806 -11.2806 -7.9914 -7.9914 -7.9697 -7.9697 -7.2990 -7.2990 -7.2788 -7.2788 -7.2677 -7.2677 -7.2035 -7.2035 -7.1457 -7.1457 -5.5317 -5.5317 -5.4366 -5.4366 -5.4057 -5.4057 -4.1224 -4.1224 -1.8165 -1.8165 -1.7042 -1.7042 -1.6938 -1.6937 -1.2721 -1.2721 -1.2180 -1.2180 -0.8511 -0.8510 -0.8109 -0.8109 -0.4380 -0.4379 -0.4196 -0.4195 -0.3827 -0.3826 -0.3480 -0.3479 -0.2784 -0.2784 2.7797 2.7797 3.9302 3.9302 k = 0.1020 0.3824-0.0000 ( 9177 PWs) bands (ev): -11.6786 -11.6786 -11.3124 -11.3124 -11.3044 -11.3044 -11.2811 -11.2811 -7.9908 -7.9908 -7.9697 -7.9697 -7.2975 -7.2975 -7.2796 -7.2796 -7.2676 -7.2676 -7.2043 -7.2043 -7.1427 -7.1427 -5.5331 -5.5331 -5.4364 -5.4363 -5.4011 -5.4011 -4.1141 -4.1141 -1.8475 -1.8475 -1.7345 -1.7345 -1.7233 -1.7232 -1.2561 -1.2561 -1.2039 -1.2039 -0.8445 -0.8445 -0.8045 -0.8045 -0.4427 -0.4426 -0.4217 -0.4216 -0.3911 -0.3911 -0.3537 -0.3537 -0.2798 -0.2798 2.7967 2.7967 3.9511 3.9511 k = 0.1088 0.4079-0.0000 ( 9173 PWs) bands (ev): -11.6679 -11.6679 -11.3112 -11.3112 -11.3035 -11.3034 -11.2817 -11.2817 -7.9901 -7.9901 -7.9698 -7.9698 -7.2961 -7.2961 -7.2803 -7.2803 -7.2675 -7.2675 -7.2051 -7.2051 -7.1397 -7.1397 -5.5345 -5.5345 -5.4361 -5.4361 -5.3964 -5.3964 -4.1056 -4.1056 -1.8808 -1.8808 -1.7704 -1.7704 -1.7452 -1.7451 -1.2422 -1.2422 -1.1862 -1.1862 -0.8371 -0.8370 -0.7972 -0.7971 -0.4529 -0.4529 -0.4256 -0.4256 -0.4000 -0.3999 -0.3599 -0.3599 -0.2757 -0.2756 2.8123 2.8123 3.9712 3.9713 k = 0.1156 0.4334-0.0000 ( 9173 PWs) bands (ev): -11.6568 -11.6568 -11.3100 -11.3100 -11.3025 -11.3025 -11.2826 -11.2826 -7.9895 -7.9895 -7.9700 -7.9700 -7.2946 -7.2946 -7.2811 -7.2811 -7.2673 -7.2673 -7.2059 -7.2059 -7.1366 -7.1366 -5.5360 -5.5360 -5.4359 -5.4359 -5.3917 -5.3917 -4.0968 -4.0968 -1.9157 -1.9157 -1.8040 -1.8040 -1.7673 -1.7673 -1.2305 -1.2305 -1.1654 -1.1654 -0.8288 -0.8287 -0.7890 -0.7890 -0.4663 -0.4663 -0.4313 -0.4313 -0.4085 -0.4085 -0.3667 -0.3667 -0.2684 -0.2683 2.8264 2.8264 3.9886 3.9886 k = 0.1224 0.4589 0.0000 ( 9153 PWs) bands (ev): -11.6452 -11.6452 -11.3089 -11.3089 -11.3016 -11.3016 -11.2836 -11.2836 -7.9888 -7.9888 -7.9701 -7.9701 -7.2930 -7.2930 -7.2819 -7.2819 -7.2672 -7.2672 -7.2067 -7.2067 -7.1335 -7.1335 -5.5375 -5.5375 -5.4356 -5.4356 -5.3870 -5.3870 -4.0878 -4.0878 -1.9514 -1.9514 -1.8353 -1.8352 -1.7898 -1.7898 -1.2203 -1.2203 -1.1427 -1.1427 -0.8198 -0.8198 -0.7801 -0.7801 -0.4810 -0.4809 -0.4381 -0.4381 -0.4169 -0.4169 -0.3741 -0.3740 -0.2600 -0.2599 2.8388 2.8388 3.9974 3.9974 k = 0.1292 0.4844 0.0000 ( 9161 PWs) bands (ev): -11.6333 -11.6333 -11.3078 -11.3078 -11.3008 -11.3008 -11.2848 -11.2848 -7.9882 -7.9882 -7.9702 -7.9702 -7.2915 -7.2915 -7.2827 -7.2827 -7.2671 -7.2671 -7.2075 -7.2075 -7.1305 -7.1304 -5.5391 -5.5391 -5.4354 -5.4354 -5.3823 -5.3823 -4.0787 -4.0787 -1.9871 -1.9871 -1.8646 -1.8646 -1.8124 -1.8123 -1.2112 -1.2112 -1.1191 -1.1191 -0.8102 -0.8102 -0.7706 -0.7705 -0.4953 -0.4953 -0.4455 -0.4455 -0.4255 -0.4255 -0.3817 -0.3817 -0.2517 -0.2517 2.8494 2.8494 3.9809 3.9809 k = 0.1360 0.5099 0.0000 ( 9157 PWs) bands (ev): -11.6210 -11.6210 -11.3068 -11.3068 -11.3000 -11.3000 -11.2862 -11.2862 -7.9876 -7.9876 -7.9703 -7.9703 -7.2900 -7.2900 -7.2835 -7.2835 -7.2670 -7.2670 -7.2083 -7.2083 -7.1274 -7.1274 -5.5406 -5.5406 -5.4352 -5.4352 -5.3776 -5.3776 -4.0696 -4.0696 -2.0219 -2.0219 -1.8922 -1.8922 -1.8348 -1.8348 -1.2027 -1.2027 -1.0956 -1.0956 -0.8002 -0.8001 -0.7605 -0.7605 -0.5082 -0.5082 -0.4535 -0.4534 -0.4345 -0.4345 -0.3895 -0.3894 -0.2444 -0.2444 2.8582 2.8582 3.9154 3.9154 k = 0.1428 0.5354 0.0000 ( 9157 PWs) bands (ev): -11.6085 -11.6085 -11.3059 -11.3059 -11.2994 -11.2994 -11.2879 -11.2879 -7.9870 -7.9870 -7.9704 -7.9704 -7.2885 -7.2885 -7.2843 -7.2843 -7.2669 -7.2669 -7.2091 -7.2091 -7.1245 -7.1245 -5.5422 -5.5422 -5.4350 -5.4350 -5.3731 -5.3731 -4.0605 -4.0605 -2.0554 -2.0554 -1.9183 -1.9183 -1.8569 -1.8569 -1.1949 -1.1949 -1.0728 -1.0728 -0.7899 -0.7899 -0.7502 -0.7501 -0.5188 -0.5188 -0.4618 -0.4618 -0.4436 -0.4436 -0.3972 -0.3972 -0.2384 -0.2383 2.8652 2.8652 3.8131 3.8131 k = 0.1496 0.5609-0.0000 ( 9161 PWs) bands (ev): -11.5957 -11.5957 -11.3051 -11.3051 -11.2989 -11.2989 -11.2897 -11.2897 -7.9864 -7.9864 -7.9705 -7.9705 -7.2870 -7.2870 -7.2851 -7.2851 -7.2668 -7.2668 -7.2099 -7.2099 -7.1216 -7.1216 -5.5438 -5.5438 -5.4348 -5.4348 -5.3688 -5.3688 -4.0516 -4.0516 -2.0871 -2.0871 -1.9430 -1.9430 -1.8785 -1.8784 -1.1876 -1.1876 -1.0515 -1.0515 -0.7796 -0.7795 -0.7397 -0.7396 -0.5268 -0.5268 -0.4703 -0.4703 -0.4528 -0.4528 -0.4048 -0.4047 -0.2339 -0.2339 2.8704 2.8704 3.6991 3.6991 k = 0.1564 0.5863 0.0000 ( 9161 PWs) bands (ev): -11.5828 -11.5828 -11.3044 -11.3044 -11.2986 -11.2986 -11.2917 -11.2916 -7.9858 -7.9858 -7.9707 -7.9707 -7.2859 -7.2859 -7.2856 -7.2856 -7.2667 -7.2667 -7.2106 -7.2106 -7.1188 -7.1188 -5.5453 -5.5453 -5.4346 -5.4346 -5.3646 -5.3646 -4.0429 -4.0429 -2.1166 -2.1166 -1.9662 -1.9662 -1.8992 -1.8992 -1.1809 -1.1809 -1.0320 -1.0320 -0.7695 -0.7694 -0.7293 -0.7292 -0.5321 -0.5321 -0.4789 -0.4789 -0.4616 -0.4616 -0.4118 -0.4118 -0.2310 -0.2310 2.8739 2.8739 3.5841 3.5841 k = 0.1632 0.6118 0.0000 ( 9149 PWs) bands (ev): -11.5697 -11.5697 -11.3041 -11.3040 -11.2986 -11.2986 -11.2936 -11.2935 -7.9853 -7.9853 -7.9707 -7.9707 -7.2866 -7.2866 -7.2841 -7.2841 -7.2666 -7.2666 -7.2114 -7.2114 -7.1161 -7.1161 -5.5469 -5.5469 -5.4345 -5.4345 -5.3606 -5.3606 -4.0345 -4.0345 -2.1436 -2.1436 -1.9878 -1.9878 -1.9189 -1.9189 -1.1749 -1.1749 -1.0148 -1.0148 -0.7599 -0.7598 -0.7193 -0.7193 -0.5355 -0.5355 -0.4874 -0.4874 -0.4693 -0.4693 -0.4178 -0.4178 -0.2299 -0.2298 2.8759 2.8759 3.4721 3.4721 k = 0.1700 0.6373 0.0000 ( 9153 PWs) bands (ev): -11.5566 -11.5566 -11.3041 -11.3041 -11.2992 -11.2991 -11.2950 -11.2950 -7.9848 -7.9848 -7.9708 -7.9708 -7.2873 -7.2873 -7.2828 -7.2828 -7.2665 -7.2665 -7.2121 -7.2121 -7.1136 -7.1136 -5.5484 -5.5484 -5.4344 -5.4344 -5.3568 -5.3568 -4.0265 -4.0265 -2.1679 -2.1679 -2.0079 -2.0078 -1.9375 -1.9375 -1.1696 -1.1696 -0.9999 -0.9999 -0.7512 -0.7511 -0.7102 -0.7101 -0.5383 -0.5383 -0.4957 -0.4957 -0.4749 -0.4749 -0.4219 -0.4219 -0.2303 -0.2303 2.8764 2.8764 3.3648 3.3648 k = 0.1768 0.6628 0.0000 ( 9157 PWs) bands (ev): -11.5435 -11.5435 -11.3051 -11.3051 -11.3001 -11.3000 -11.2958 -11.2958 -7.9844 -7.9844 -7.9709 -7.9709 -7.2879 -7.2879 -7.2815 -7.2815 -7.2664 -7.2664 -7.2128 -7.2128 -7.1112 -7.1112 -5.5498 -5.5498 -5.4344 -5.4344 -5.3533 -5.3533 -4.0190 -4.0190 -2.1894 -2.1894 -2.0261 -2.0261 -1.9547 -1.9547 -1.1653 -1.1653 -0.9872 -0.9872 -0.7438 -0.7437 -0.7024 -0.7023 -0.5418 -0.5418 -0.5037 -0.5037 -0.4778 -0.4778 -0.4229 -0.4228 -0.2324 -0.2324 2.8753 2.8753 3.2637 3.2637 k = 0.1836 0.6883 0.0000 ( 9153 PWs) bands (ev): -11.5304 -11.5304 -11.3072 -11.3072 -11.3007 -11.3006 -11.2963 -11.2962 -7.9840 -7.9840 -7.9710 -7.9710 -7.2885 -7.2885 -7.2803 -7.2803 -7.2663 -7.2663 -7.2135 -7.2135 -7.1091 -7.1091 -5.5512 -5.5512 -5.4344 -5.4344 -5.3500 -5.3500 -4.0120 -4.0120 -2.2080 -2.2080 -2.0425 -2.0425 -1.9703 -1.9703 -1.1619 -1.1619 -0.9765 -0.9765 -0.7382 -0.7382 -0.6965 -0.6964 -0.5469 -0.5469 -0.5111 -0.5111 -0.4787 -0.4787 -0.4191 -0.4191 -0.2359 -0.2359 2.8724 2.8724 3.1700 3.1700 k = 0.1904 0.7138-0.0000 ( 9169 PWs) bands (ev): -11.5176 -11.5176 -11.3102 -11.3102 -11.3010 -11.3010 -11.2967 -11.2966 -7.9836 -7.9836 -7.9711 -7.9711 -7.2892 -7.2892 -7.2792 -7.2792 -7.2663 -7.2663 -7.2141 -7.2141 -7.1071 -7.1071 -5.5524 -5.5524 -5.4345 -5.4345 -5.3471 -5.3471 -4.0057 -4.0057 -2.2235 -2.2235 -2.0569 -2.0569 -1.9843 -1.9843 -1.1596 -1.1596 -0.9673 -0.9673 -0.7350 -0.7350 -0.6933 -0.6933 -0.5532 -0.5532 -0.5171 -0.5171 -0.4791 -0.4790 -0.4099 -0.4099 -0.2408 -0.2407 2.8669 2.8669 3.0855 3.0855 k = 0.1972 0.7393-0.0000 ( 9181 PWs) bands (ev): -11.5050 -11.5049 -11.3137 -11.3137 -11.3013 -11.3013 -11.2972 -11.2971 -7.9833 -7.9833 -7.9712 -7.9712 -7.2897 -7.2897 -7.2782 -7.2782 -7.2662 -7.2662 -7.2146 -7.2146 -7.1053 -7.1053 -5.5536 -5.5536 -5.4347 -5.4347 -5.3444 -5.3444 -3.9999 -3.9999 -2.2359 -2.2359 -2.0691 -2.0691 -1.9964 -1.9964 -1.1586 -1.1586 -0.9591 -0.9591 -0.7347 -0.7346 -0.6935 -0.6935 -0.5601 -0.5601 -0.5210 -0.5210 -0.4791 -0.4791 -0.3961 -0.3960 -0.2467 -0.2467 2.8563 2.8563 3.0133 3.0133 k = 0.2040 0.7648-0.0000 ( 9185 PWs) bands (ev): -11.4927 -11.4927 -11.3175 -11.3175 -11.3018 -11.3017 -11.2978 -11.2977 -7.9830 -7.9830 -7.9713 -7.9713 -7.2902 -7.2902 -7.2772 -7.2772 -7.2662 -7.2662 -7.2151 -7.2151 -7.1038 -7.1038 -5.5547 -5.5547 -5.4349 -5.4349 -5.3421 -5.3421 -3.9949 -3.9949 -2.2452 -2.2452 -2.0791 -2.0791 -2.0066 -2.0066 -1.1589 -1.1589 -0.9514 -0.9514 -0.7374 -0.7374 -0.6976 -0.6976 -0.5672 -0.5672 -0.5222 -0.5222 -0.4784 -0.4783 -0.3794 -0.3794 -0.2535 -0.2535 2.8357 2.8357 2.9594 2.9594 k = 0.2108 0.7903-0.0000 ( 9201 PWs) bands (ev): -11.4810 -11.4810 -11.3214 -11.3214 -11.3023 -11.3023 -11.2985 -11.2985 -7.9828 -7.9828 -7.9714 -7.9714 -7.2907 -7.2907 -7.2764 -7.2764 -7.2662 -7.2662 -7.2156 -7.2156 -7.1025 -7.1025 -5.5557 -5.5557 -5.4352 -5.4352 -5.3401 -5.3401 -3.9906 -3.9906 -2.2514 -2.2514 -2.0868 -2.0868 -2.0147 -2.0147 -1.1606 -1.1606 -0.9439 -0.9438 -0.7434 -0.7434 -0.7057 -0.7057 -0.5740 -0.5740 -0.5208 -0.5208 -0.4763 -0.4763 -0.3619 -0.3618 -0.2608 -0.2607 2.8012 2.8012 2.9284 2.9284 k = 0.2176 0.8158 0.0000 ( 9169 PWs) bands (ev): -11.4700 -11.4700 -11.3251 -11.3251 -11.3031 -11.3031 -11.2994 -11.2994 -7.9825 -7.9825 -7.9714 -7.9714 -7.2909 -7.2909 -7.2757 -7.2757 -7.2661 -7.2661 -7.2160 -7.2160 -7.1015 -7.1015 -5.5566 -5.5566 -5.4356 -5.4356 -5.3384 -5.3384 -3.9869 -3.9869 -2.2545 -2.2545 -2.0920 -2.0920 -2.0207 -2.0207 -1.1640 -1.1639 -0.9360 -0.9360 -0.7526 -0.7526 -0.7175 -0.7175 -0.5804 -0.5804 -0.5170 -0.5169 -0.4726 -0.4726 -0.3455 -0.3454 -0.2676 -0.2675 2.7598 2.7598 2.9139 2.9139 k = 0.2244 0.8413-0.0000 ( 9169 PWs) bands (ev): -11.4600 -11.4600 -11.3286 -11.3286 -11.3040 -11.3040 -11.3005 -11.3005 -7.9823 -7.9823 -7.9714 -7.9714 -7.2912 -7.2912 -7.2751 -7.2751 -7.2660 -7.2660 -7.2163 -7.2163 -7.1007 -7.1007 -5.5573 -5.5573 -5.4360 -5.4360 -5.3371 -5.3371 -3.9840 -3.9840 -2.2547 -2.2547 -2.0947 -2.0947 -2.0245 -2.0245 -1.1690 -1.1690 -0.9277 -0.9276 -0.7646 -0.7645 -0.7324 -0.7324 -0.5863 -0.5863 -0.5112 -0.5111 -0.4674 -0.4673 -0.3327 -0.3326 -0.2724 -0.2723 2.7208 2.7208 2.9075 2.9075 k = 0.2312 0.8668-0.0000 ( 9177 PWs) bands (ev): -11.4512 -11.4512 -11.3315 -11.3315 -11.3052 -11.3052 -11.3017 -11.3017 -7.9822 -7.9822 -7.9715 -7.9715 -7.2915 -7.2915 -7.2746 -7.2746 -7.2661 -7.2661 -7.2165 -7.2165 -7.1002 -7.1002 -5.5579 -5.5579 -5.4365 -5.4365 -5.3361 -5.3361 -3.9817 -3.9817 -2.2519 -2.2519 -2.0948 -2.0948 -2.0260 -2.0260 -1.1758 -1.1758 -0.9186 -0.9185 -0.7790 -0.7790 -0.7500 -0.7499 -0.5916 -0.5916 -0.5039 -0.5039 -0.4608 -0.4608 -0.3267 -0.3265 -0.2729 -0.2728 2.6888 2.6888 2.9051 2.9051 k = 0.2380 0.8923-0.0000 ( 9173 PWs) bands (ev): -11.4440 -11.4440 -11.3335 -11.3335 -11.3066 -11.3066 -11.3031 -11.3031 -7.9821 -7.9821 -7.9715 -7.9715 -7.2916 -7.2916 -7.2743 -7.2743 -7.2660 -7.2660 -7.2167 -7.2167 -7.1000 -7.1000 -5.5583 -5.5583 -5.4371 -5.4371 -5.3355 -5.3355 -3.9800 -3.9800 -2.2463 -2.2463 -2.0923 -2.0923 -2.0252 -2.0252 -1.1845 -1.1845 -0.9086 -0.9086 -0.7956 -0.7956 -0.7694 -0.7694 -0.5961 -0.5961 -0.4958 -0.4957 -0.4533 -0.4533 -0.3284 -0.3282 -0.2686 -0.2684 2.6661 2.6661 2.9050 2.9050 k = 0.2448 0.9178 0.0000 ( 9189 PWs) bands (ev): -11.4389 -11.4389 -11.3342 -11.3342 -11.3082 -11.3082 -11.3047 -11.3047 -7.9820 -7.9820 -7.9716 -7.9716 -7.2917 -7.2917 -7.2742 -7.2742 -7.2660 -7.2660 -7.2168 -7.2168 -7.1000 -7.1000 -5.5586 -5.5586 -5.4378 -5.4378 -5.3352 -5.3352 -3.9789 -3.9789 -2.2380 -2.2380 -2.0870 -2.0870 -2.0222 -2.0221 -1.1952 -1.1952 -0.8978 -0.8978 -0.8140 -0.8140 -0.7903 -0.7903 -0.5998 -0.5998 -0.4871 -0.4870 -0.4452 -0.4451 -0.3351 -0.3350 -0.2624 -0.2623 2.6536 2.6536 2.9067 2.9067 k = 0.2516 0.9433-0.0000 ( 9189 PWs) bands (ev): -11.4361 -11.4361 -11.3334 -11.3334 -11.3100 -11.3100 -11.3063 -11.3063 -7.9820 -7.9820 -7.9716 -7.9716 -7.2917 -7.2917 -7.2741 -7.2741 -7.2660 -7.2660 -7.2168 -7.2168 -7.1003 -7.1003 -5.5587 -5.5587 -5.4385 -5.4385 -5.3353 -5.3353 -3.9783 -3.9783 -2.2272 -2.2272 -2.0791 -2.0791 -2.0168 -2.0168 -1.2079 -1.2079 -0.8866 -0.8865 -0.8337 -0.8337 -0.8117 -0.8117 -0.6025 -0.6025 -0.4782 -0.4781 -0.4367 -0.4366 -0.3442 -0.3441 -0.2574 -0.2573 2.6518 2.6518 2.9098 2.9098 k = 0.2584 0.9687 0.0000 ( 9169 PWs) bands (ev): -11.4358 -11.4358 -11.3309 -11.3309 -11.3120 -11.3120 -11.3081 -11.3081 -7.9820 -7.9820 -7.9715 -7.9715 -7.2916 -7.2916 -7.2742 -7.2742 -7.2660 -7.2660 -7.2167 -7.2167 -7.1009 -7.1009 -5.5587 -5.5587 -5.4393 -5.4393 -5.3358 -5.3358 -3.9780 -3.9780 -2.2140 -2.2140 -2.0684 -2.0684 -2.0091 -2.0091 -1.2226 -1.2226 -0.8771 -0.8769 -0.8545 -0.8543 -0.8314 -0.8313 -0.6044 -0.6044 -0.4693 -0.4693 -0.4281 -0.4281 -0.3542 -0.3541 -0.2549 -0.2548 2.6611 2.6611 2.9142 2.9142 k = 0.2652 0.9942 0.0000 ( 9157 PWs) bands (ev): -11.4378 -11.4378 -11.3270 -11.3270 -11.3142 -11.3142 -11.3097 -11.3097 -7.9821 -7.9821 -7.9715 -7.9715 -7.2915 -7.2915 -7.2744 -7.2744 -7.2660 -7.2660 -7.2165 -7.2165 -7.1018 -7.1018 -5.5585 -5.5585 -5.4402 -5.4402 -5.3367 -5.3367 -3.9781 -3.9781 -2.1986 -2.1986 -2.0550 -2.0550 -1.9992 -1.9992 -1.2393 -1.2393 -0.8805 -0.8801 -0.8743 -0.8738 -0.8396 -0.8395 -0.6053 -0.6053 -0.4607 -0.4607 -0.4198 -0.4197 -0.3644 -0.3643 -0.2553 -0.2553 2.6813 2.6813 2.9198 2.9198 k = 0.2720 1.0197 0.0000 ( 9128 PWs) bands (ev): -11.4419 -11.4419 -11.3228 -11.3228 -11.3165 -11.3165 -11.3108 -11.3107 -7.9821 -7.9821 -7.9714 -7.9714 -7.2912 -7.2912 -7.2748 -7.2748 -7.2660 -7.2660 -7.2162 -7.2162 -7.1029 -7.1029 -5.5581 -5.5581 -5.4411 -5.4411 -5.3379 -5.3379 -3.9785 -3.9785 -2.1811 -2.1811 -2.0390 -2.0390 -1.9871 -1.9871 -1.2579 -1.2579 -0.9009 -0.9007 -0.8942 -0.8940 -0.8303 -0.8302 -0.6053 -0.6053 -0.4526 -0.4525 -0.4118 -0.4117 -0.3742 -0.3741 -0.2589 -0.2589 2.7124 2.7124 2.9265 2.9265 k = 0.2788 1.0452 0.0000 ( 9136 PWs) bands (ev): -11.4475 -11.4475 -11.3209 -11.3209 -11.3185 -11.3184 -11.3093 -11.3092 -7.9823 -7.9823 -7.9714 -7.9714 -7.2910 -7.2910 -7.2753 -7.2753 -7.2660 -7.2660 -7.2159 -7.2159 -7.1042 -7.1042 -5.5575 -5.5575 -5.4421 -5.4421 -5.3395 -5.3395 -3.9790 -3.9790 -2.1616 -2.1616 -2.0204 -2.0203 -1.9730 -1.9729 -1.2782 -1.2782 -0.9239 -0.9237 -0.9176 -0.9174 -0.8148 -0.8148 -0.6045 -0.6045 -0.4451 -0.4451 -0.4045 -0.4044 -0.3833 -0.3832 -0.2654 -0.2654 2.7539 2.7539 2.9344 2.9344 k = 0.2856 1.0707 0.0000 ( 9160 PWs) bands (ev): -11.4545 -11.4545 -11.3227 -11.3227 -11.3201 -11.3201 -11.3041 -11.3041 -7.9826 -7.9826 -7.9713 -7.9713 -7.2907 -7.2907 -7.2760 -7.2760 -7.2661 -7.2661 -7.2155 -7.2155 -7.1058 -7.1058 -5.5567 -5.5567 -5.4431 -5.4431 -5.3414 -5.3414 -3.9796 -3.9796 -2.1405 -2.1405 -1.9992 -1.9992 -1.9568 -1.9568 -1.3002 -1.3002 -0.9475 -0.9473 -0.9420 -0.9418 -0.7973 -0.7972 -0.6029 -0.6029 -0.4387 -0.4386 -0.3992 -0.3991 -0.3899 -0.3898 -0.2745 -0.2744 2.8053 2.8053 2.9436 2.9436 k = 0.2856 1.0707 0.0000 ( 9160 PWs) bands (ev): -11.4545 -11.4545 -11.3227 -11.3227 -11.3201 -11.3201 -11.3041 -11.3041 -7.9826 -7.9826 -7.9713 -7.9713 -7.2907 -7.2907 -7.2760 -7.2760 -7.2661 -7.2661 -7.2155 -7.2155 -7.1058 -7.1058 -5.5567 -5.5567 -5.4431 -5.4431 -5.3414 -5.3414 -3.9796 -3.9796 -2.1405 -2.1405 -1.9992 -1.9992 -1.9568 -1.9568 -1.3002 -1.3002 -0.9475 -0.9473 -0.9420 -0.9418 -0.7973 -0.7972 -0.6029 -0.6029 -0.4387 -0.4386 -0.3992 -0.3991 -0.3899 -0.3898 -0.2745 -0.2744 2.8053 2.8053 2.9436 2.9436 k = 0.2839 1.0644 0.0246 ( 9148 PWs) bands (ev): -11.4527 -11.4527 -11.3223 -11.3219 -11.3197 -11.3194 -11.3060 -11.3052 -7.9825 -7.9825 -7.9713 -7.9713 -7.2908 -7.2908 -7.2758 -7.2758 -7.2661 -7.2660 -7.2157 -7.2155 -7.1055 -7.1053 -5.5572 -5.5567 -5.4428 -5.4427 -5.3411 -5.3407 -3.9796 -3.9793 -2.1488 -2.1457 -2.0069 -2.0038 -1.9600 -1.9594 -1.2942 -1.2934 -0.9423 -0.9417 -0.9376 -0.9342 -0.8022 -0.7982 -0.6043 -0.6025 -0.4439 -0.4390 -0.4045 -0.3993 -0.3896 -0.3840 -0.2729 -0.2706 2.7914 2.7915 2.9411 2.9412 k = 0.2822 1.0580 0.0493 ( 9145 PWs) bands (ev): -11.4511 -11.4511 -11.3221 -11.3211 -11.3193 -11.3186 -11.3079 -11.3060 -7.9824 -7.9824 -7.9713 -7.9713 -7.2909 -7.2909 -7.2756 -7.2756 -7.2661 -7.2660 -7.2159 -7.2155 -7.1051 -7.1048 -5.5576 -5.5566 -5.4426 -5.4424 -5.3407 -5.3400 -3.9796 -3.9791 -2.1593 -2.1537 -2.0147 -2.0095 -1.9613 -1.9591 -1.2868 -1.2852 -0.9392 -0.9370 -0.9327 -0.9273 -0.8038 -0.7957 -0.6057 -0.6021 -0.4507 -0.4422 -0.4110 -0.4036 -0.3852 -0.3773 -0.2709 -0.2667 2.7777 2.7780 2.9387 2.9387 k = 0.2805 1.0517 0.0739 ( 9147 PWs) bands (ev): -11.4497 -11.4496 -11.3222 -11.3205 -11.3188 -11.3177 -11.3095 -11.3067 -7.9824 -7.9824 -7.9714 -7.9714 -7.2910 -7.2910 -7.2755 -7.2754 -7.2661 -7.2660 -7.2161 -7.2155 -7.1047 -7.1044 -5.5580 -5.5566 -5.4423 -5.4420 -5.3404 -5.3394 -3.9796 -3.9789 -2.1713 -2.1641 -2.0221 -2.0156 -1.9614 -1.9571 -1.2780 -1.2758 -0.9382 -0.9334 -0.9272 -0.9214 -0.8016 -0.7900 -0.6070 -0.6017 -0.4585 -0.4478 -0.4181 -0.4090 -0.3800 -0.3707 -0.2687 -0.2630 2.7643 2.7647 2.9363 2.9364 k = 0.2788 1.0453 0.0986 ( 9143 PWs) bands (ev): -11.4484 -11.4483 -11.3225 -11.3201 -11.3181 -11.3167 -11.3110 -11.3070 -7.9823 -7.9823 -7.9714 -7.9714 -7.2910 -7.2910 -7.2753 -7.2753 -7.2660 -7.2660 -7.2163 -7.2155 -7.1043 -7.1039 -5.5583 -5.5566 -5.4419 -5.4416 -5.3400 -5.3388 -3.9796 -3.9787 -2.1842 -2.1762 -2.0290 -2.0216 -1.9611 -1.9544 -1.2681 -1.2653 -0.9382 -0.9311 -0.9216 -0.9162 -0.7957 -0.7818 -0.6083 -0.6013 -0.4671 -0.4549 -0.4256 -0.4150 -0.3750 -0.3647 -0.2665 -0.2598 2.7511 2.7517 2.9341 2.9342 k = 0.2771 1.0390 0.1232 ( 9145 PWs) bands (ev): -11.4472 -11.4471 -11.3231 -11.3202 -11.3175 -11.3157 -11.3119 -11.3071 -7.9823 -7.9823 -7.9714 -7.9714 -7.2911 -7.2911 -7.2752 -7.2751 -7.2660 -7.2660 -7.2165 -7.2156 -7.1039 -7.1034 -5.5586 -5.5567 -5.4416 -5.4413 -5.3396 -5.3382 -3.9796 -3.9785 -2.1974 -2.1890 -2.0356 -2.0272 -1.9610 -1.9517 -1.2572 -1.2539 -0.9384 -0.9299 -0.9161 -0.9113 -0.7868 -0.7717 -0.6095 -0.6008 -0.4763 -0.4631 -0.4332 -0.4215 -0.3705 -0.3596 -0.2647 -0.2574 2.7383 2.7391 2.9320 2.9323 k = 0.2754 1.0326 0.1479 ( 9143 PWs) bands (ev): -11.4461 -11.4461 -11.3238 -11.3207 -11.3168 -11.3148 -11.3123 -11.3070 -7.9823 -7.9822 -7.9714 -7.9714 -7.2912 -7.2912 -7.2750 -7.2750 -7.2660 -7.2659 -7.2166 -7.2156 -7.1035 -7.1030 -5.5588 -5.5567 -5.4412 -5.4409 -5.3392 -5.3377 -3.9795 -3.9783 -2.2103 -2.2019 -2.0420 -2.0324 -1.9614 -1.9495 -1.2455 -1.2418 -0.9381 -0.9292 -0.9106 -0.9063 -0.7759 -0.7605 -0.6106 -0.6004 -0.4859 -0.4722 -0.4407 -0.4281 -0.3670 -0.3553 -0.2635 -0.2558 2.7258 2.7268 2.9302 2.9305 k = 0.2737 1.0263 0.1725 ( 9143 PWs) bands (ev): -11.4451 -11.4450 -11.3248 -11.3216 -11.3161 -11.3143 -11.3118 -11.3067 -7.9822 -7.9822 -7.9714 -7.9714 -7.2913 -7.2912 -7.2749 -7.2749 -7.2660 -7.2659 -7.2167 -7.2157 -7.1032 -7.1026 -5.5589 -5.5568 -5.4409 -5.4405 -5.3388 -5.3372 -3.9794 -3.9782 -2.2224 -2.2142 -2.0483 -2.0371 -1.9628 -1.9482 -1.2332 -1.2292 -0.9367 -0.9283 -0.9052 -0.9012 -0.7638 -0.7488 -0.6114 -0.5998 -0.4959 -0.4819 -0.4482 -0.4349 -0.3645 -0.3520 -0.2629 -0.2552 2.7138 2.7150 2.9285 2.9291 k = 0.2720 1.0199 0.1971 ( 9147 PWs) bands (ev): -11.4442 -11.4441 -11.3257 -11.3228 -11.3155 -11.3140 -11.3109 -11.3064 -7.9822 -7.9822 -7.9714 -7.9714 -7.2913 -7.2913 -7.2748 -7.2747 -7.2660 -7.2659 -7.2168 -7.2158 -7.1028 -7.1022 -5.5591 -5.5570 -5.4405 -5.4402 -5.3384 -5.3368 -3.9792 -3.9780 -2.2333 -2.2253 -2.0545 -2.0415 -1.9654 -1.9481 -1.2207 -1.2165 -0.9337 -0.9264 -0.8999 -0.8960 -0.7511 -0.7369 -0.6120 -0.5993 -0.5062 -0.4919 -0.4553 -0.4416 -0.3633 -0.3498 -0.2633 -0.2556 2.7022 2.7037 2.9271 2.9279 k = 0.2703 1.0136 0.2218 ( 9148 PWs) bands (ev): -11.4433 -11.4432 -11.3268 -11.3241 -11.3148 -11.3136 -11.3100 -11.3060 -7.9822 -7.9821 -7.9714 -7.9714 -7.2914 -7.2913 -7.2747 -7.2746 -7.2660 -7.2659 -7.2169 -7.2159 -7.1024 -7.1018 -5.5591 -5.5571 -5.4402 -5.4398 -5.3380 -5.3365 -3.9791 -3.9779 -2.2428 -2.2350 -2.0607 -2.0455 -1.9694 -1.9492 -1.2081 -1.2039 -0.9291 -0.9232 -0.8945 -0.8907 -0.7384 -0.7251 -0.6123 -0.5988 -0.5165 -0.5020 -0.4622 -0.4482 -0.3637 -0.3487 -0.2647 -0.2571 2.6912 2.6929 2.9260 2.9269 k = 0.2686 1.0072 0.2464 ( 9140 PWs) bands (ev): -11.4424 -11.4424 -11.3278 -11.3255 -11.3142 -11.3132 -11.3090 -11.3056 -7.9821 -7.9821 -7.9714 -7.9714 -7.2914 -7.2914 -7.2746 -7.2745 -7.2660 -7.2659 -7.2169 -7.2160 -7.1021 -7.1015 -5.5592 -5.5573 -5.4399 -5.4395 -5.3376 -5.3362 -3.9789 -3.9778 -2.2506 -2.2428 -2.0667 -2.0492 -1.9749 -1.9517 -1.1958 -1.1917 -0.9226 -0.9184 -0.8891 -0.8853 -0.7259 -0.7136 -0.6123 -0.5983 -0.5268 -0.5118 -0.4688 -0.4546 -0.3657 -0.3489 -0.2670 -0.2594 2.6809 2.6828 2.9251 2.9262 k = 0.2669 1.0009 0.2711 ( 9128 PWs) bands (ev): -11.4416 -11.4415 -11.3287 -11.3268 -11.3136 -11.3128 -11.3082 -11.3053 -7.9821 -7.9821 -7.9714 -7.9714 -7.2915 -7.2914 -7.2745 -7.2744 -7.2659 -7.2658 -7.2170 -7.2161 -7.1017 -7.1012 -5.5592 -5.5574 -5.4396 -5.4393 -5.3373 -5.3359 -3.9786 -3.9777 -2.2568 -2.2488 -2.0727 -2.0527 -1.9818 -1.9554 -1.1841 -1.1801 -0.9147 -0.9118 -0.8835 -0.8797 -0.7140 -0.7025 -0.6121 -0.5981 -0.5369 -0.5207 -0.4751 -0.4607 -0.3697 -0.3506 -0.2702 -0.2623 2.6712 2.6733 2.9243 2.9257 k = 0.2652 0.9945 0.2957 ( 9131 PWs) bands (ev): -11.4408 -11.4408 -11.3297 -11.3280 -11.3130 -11.3124 -11.3075 -11.3051 -7.9821 -7.9820 -7.9714 -7.9714 -7.2915 -7.2914 -7.2744 -7.2743 -7.2659 -7.2658 -7.2170 -7.2162 -7.1014 -7.1010 -5.5592 -5.5576 -5.4393 -5.4391 -5.3369 -5.3357 -3.9784 -3.9776 -2.2611 -2.2528 -2.0786 -2.0558 -1.9900 -1.9603 -1.1732 -1.1694 -0.9060 -0.9031 -0.8778 -0.8737 -0.7028 -0.6920 -0.6119 -0.5981 -0.5467 -0.5281 -0.4812 -0.4663 -0.3758 -0.3542 -0.2739 -0.2654 2.6624 2.6646 2.9238 2.9253 k = 0.2635 0.9882 0.3203 ( 9129 PWs) bands (ev): -11.4401 -11.4400 -11.3305 -11.3292 -11.3124 -11.3119 -11.3069 -11.3050 -7.9820 -7.9820 -7.9714 -7.9714 -7.2916 -7.2915 -7.2743 -7.2743 -7.2659 -7.2658 -7.2170 -7.2163 -7.1012 -7.1008 -5.5592 -5.5578 -5.4391 -5.4389 -5.3366 -5.3356 -3.9782 -3.9775 -2.2636 -2.2549 -2.0843 -2.0587 -1.9992 -1.9659 -1.1633 -1.1597 -0.8973 -0.8927 -0.8716 -0.8671 -0.6927 -0.6820 -0.6121 -0.5986 -0.5559 -0.5335 -0.4872 -0.4713 -0.3841 -0.3598 -0.2778 -0.2686 2.6543 2.6566 2.9234 2.9251 k = 0.2619 0.9818 0.3450 ( 9128 PWs) bands (ev): -11.4394 -11.4393 -11.3313 -11.3302 -11.3119 -11.3114 -11.3064 -11.3049 -7.9820 -7.9820 -7.9714 -7.9714 -7.2916 -7.2915 -7.2743 -7.2742 -7.2659 -7.2658 -7.2171 -7.2164 -7.1009 -7.1006 -5.5591 -5.5579 -5.4389 -5.4387 -5.3363 -5.3355 -3.9780 -3.9774 -2.2644 -2.2552 -2.0899 -2.0613 -2.0093 -1.9722 -1.1546 -1.1511 -0.8885 -0.8819 -0.8649 -0.8595 -0.6835 -0.6729 -0.6127 -0.5998 -0.5639 -0.5365 -0.4931 -0.4753 -0.3947 -0.3677 -0.2813 -0.2714 2.6472 2.6496 2.9231 2.9250 k = 0.2602 0.9755 0.3696 ( 9124 PWs) bands (ev): -11.4387 -11.4387 -11.3319 -11.3311 -11.3114 -11.3110 -11.3061 -11.3049 -7.9820 -7.9820 -7.9714 -7.9714 -7.2917 -7.2915 -7.2742 -7.2741 -7.2659 -7.2657 -7.2171 -7.2164 -7.1007 -7.1005 -5.5591 -5.5580 -5.4387 -5.4386 -5.3360 -5.3354 -3.9777 -3.9774 -2.2638 -2.2539 -2.0952 -2.0637 -2.0198 -1.9786 -1.1473 -1.1438 -0.8804 -0.8717 -0.8572 -0.8508 -0.6753 -0.6651 -0.6131 -0.6021 -0.5701 -0.5372 -0.4992 -0.4781 -0.4072 -0.3778 -0.2841 -0.2739 2.6410 2.6434 2.9230 2.9249 k = 0.2585 0.9691 0.3943 ( 9130 PWs) bands (ev): -11.4381 -11.4381 -11.3325 -11.3319 -11.3110 -11.3106 -11.3059 -11.3051 -7.9820 -7.9820 -7.9714 -7.9714 -7.2917 -7.2916 -7.2741 -7.2741 -7.2659 -7.2657 -7.2171 -7.2165 -7.1006 -7.1004 -5.5591 -5.5581 -5.4386 -5.4385 -5.3358 -5.3353 -3.9776 -3.9773 -2.2619 -2.2513 -2.1002 -2.0658 -2.0302 -1.9849 -1.1413 -1.1378 -0.8731 -0.8631 -0.8485 -0.8414 -0.6683 -0.6595 -0.6126 -0.6055 -0.5742 -0.5362 -0.5051 -0.4794 -0.4212 -0.3896 -0.2863 -0.2759 2.6357 2.6381 2.9229 2.9249 k = 0.2568 0.9628 0.4189 ( 9149 PWs) bands (ev): -11.4375 -11.4375 -11.3330 -11.3326 -11.3106 -11.3102 -11.3059 -11.3052 -7.9820 -7.9820 -7.9715 -7.9714 -7.2918 -7.2916 -7.2741 -7.2741 -7.2659 -7.2658 -7.2172 -7.2165 -7.1004 -7.1003 -5.5591 -5.5582 -5.4385 -5.4384 -5.3356 -5.3353 -3.9774 -3.9772 -2.2592 -2.2479 -2.1046 -2.0678 -2.0400 -1.9907 -1.1366 -1.1331 -0.8667 -0.8558 -0.8395 -0.8324 -0.6625 -0.6561 -0.6122 -0.6072 -0.5768 -0.5348 -0.5101 -0.4790 -0.4361 -0.4025 -0.2878 -0.2775 2.6315 2.6338 2.9228 2.9249 k = 0.2551 0.9564 0.4436 ( 9150 PWs) bands (ev): -11.4371 -11.4371 -11.3333 -11.3331 -11.3103 -11.3098 -11.3060 -11.3054 -7.9820 -7.9820 -7.9715 -7.9714 -7.2918 -7.2916 -7.2741 -7.2741 -7.2659 -7.2658 -7.2172 -7.2165 -7.1003 -7.1002 -5.5591 -5.5583 -5.4385 -5.4383 -5.3355 -5.3353 -3.9773 -3.9772 -2.2561 -2.2443 -2.1082 -2.0698 -2.0485 -1.9956 -1.1332 -1.1296 -0.8610 -0.8492 -0.8316 -0.8252 -0.6588 -0.6542 -0.6142 -0.6039 -0.5783 -0.5361 -0.5114 -0.4770 -0.4508 -0.4155 -0.2887 -0.2786 2.6282 2.6304 2.9229 2.9249 k = 0.2534 0.9501 0.4682 ( 9160 PWs) bands (ev): -11.4368 -11.4368 -11.3335 -11.3334 -11.3101 -11.3095 -11.3061 -11.3056 -7.9820 -7.9820 -7.9715 -7.9715 -7.2918 -7.2917 -7.2741 -7.2741 -7.2659 -7.2658 -7.2172 -7.2165 -7.1003 -7.1002 -5.5591 -5.5583 -5.4384 -5.4383 -5.3354 -5.3353 -3.9772 -3.9771 -2.2532 -2.2411 -2.1109 -2.0716 -2.0550 -1.9994 -1.1309 -1.1272 -0.8561 -0.8431 -0.8259 -0.8209 -0.6571 -0.6529 -0.6147 -0.6009 -0.5774 -0.5419 -0.5075 -0.4750 -0.4634 -0.4274 -0.2893 -0.2794 2.6258 2.6280 2.9229 2.9249 k = 0.2517 0.9437 0.4928 ( 9140 PWs) bands (ev): -11.4365 -11.4365 -11.3337 -11.3336 -11.3099 -11.3093 -11.3062 -11.3056 -7.9820 -7.9820 -7.9715 -7.9714 -7.2918 -7.2916 -7.2740 -7.2740 -7.2658 -7.2658 -7.2172 -7.2166 -7.1002 -7.1002 -5.5591 -5.5583 -5.4384 -5.4383 -5.3353 -5.3353 -3.9772 -3.9771 -2.2511 -2.2389 -2.1124 -2.0730 -2.0589 -2.0018 -1.1297 -1.1259 -0.8524 -0.8374 -0.8235 -0.8196 -0.6564 -0.6523 -0.6130 -0.6014 -0.5727 -0.5498 -0.5003 -0.4807 -0.4662 -0.4367 -0.2895 -0.2798 2.6244 2.6266 2.9229 2.9249 k = 0.2500 0.9374 0.5175 ( 9152 PWs) bands (ev): -11.4365 -11.4365 -11.3337 -11.3337 -11.3099 -11.3092 -11.3063 -11.3057 -7.9820 -7.9820 -7.9715 -7.9714 -7.2918 -7.2916 -7.2741 -7.2740 -7.2659 -7.2658 -7.2172 -7.2166 -7.1002 -7.1002 -5.5591 -5.5583 -5.4384 -5.4383 -5.3353 -5.3353 -3.9771 -3.9771 -2.2503 -2.2381 -2.1129 -2.0735 -2.0603 -2.0026 -1.1293 -1.1255 -0.8507 -0.8340 -0.8243 -0.8197 -0.6561 -0.6522 -0.6116 -0.6028 -0.5686 -0.5549 -0.4934 -0.4886 -0.4647 -0.4406 -0.2896 -0.2800 2.6240 2.6261 2.9230 2.9249 k = 0.2500 0.9374 0.5175 ( 9152 PWs) bands (ev): -11.4365 -11.4365 -11.3337 -11.3337 -11.3099 -11.3092 -11.3063 -11.3057 -7.9820 -7.9820 -7.9715 -7.9714 -7.2918 -7.2916 -7.2741 -7.2740 -7.2659 -7.2658 -7.2172 -7.2166 -7.1002 -7.1002 -5.5591 -5.5583 -5.4384 -5.4383 -5.3353 -5.3353 -3.9771 -3.9771 -2.2503 -2.2381 -2.1129 -2.0735 -2.0603 -2.0026 -1.1293 -1.1255 -0.8507 -0.8340 -0.8243 -0.8197 -0.6561 -0.6522 -0.6116 -0.6028 -0.5686 -0.5549 -0.4934 -0.4886 -0.4647 -0.4406 -0.2896 -0.2800 2.6240 2.6261 2.9230 2.9249 k = 0.2321 0.9421 0.4990 ( 9146 PWs) bands (ev): -11.4365 -11.4365 -11.3337 -11.3337 -11.3099 -11.3092 -11.3063 -11.3057 -7.9820 -7.9820 -7.9715 -7.9714 -7.2918 -7.2916 -7.2741 -7.2740 -7.2658 -7.2658 -7.2172 -7.2166 -7.1002 -7.1002 -5.5591 -5.5583 -5.4384 -5.4383 -5.3353 -5.3353 -3.9772 -3.9771 -2.2513 -2.2391 -2.1125 -2.0731 -2.0588 -2.0018 -1.1296 -1.1259 -0.8516 -0.8354 -0.8256 -0.8207 -0.6564 -0.6524 -0.6132 -0.6009 -0.5731 -0.5495 -0.5006 -0.4804 -0.4662 -0.4365 -0.2896 -0.2798 2.6241 2.6262 2.9229 2.9249 k = 0.2143 0.9469 0.4805 ( 9160 PWs) bands (ev): -11.4365 -11.4365 -11.3337 -11.3337 -11.3099 -11.3092 -11.3063 -11.3057 -7.9820 -7.9820 -7.9715 -7.9715 -7.2918 -7.2917 -7.2741 -7.2740 -7.2659 -7.2658 -7.2172 -7.2166 -7.1002 -7.1002 -5.5591 -5.5583 -5.4384 -5.4383 -5.3353 -5.3353 -3.9772 -3.9771 -2.2541 -2.2421 -2.1111 -2.0722 -2.0541 -1.9993 -1.1307 -1.1270 -0.8542 -0.8394 -0.8294 -0.8238 -0.6576 -0.6533 -0.6148 -0.5984 -0.5782 -0.5413 -0.5077 -0.4747 -0.4634 -0.4268 -0.2894 -0.2794 2.6244 2.6266 2.9228 2.9249 k = 0.1964 0.9517 0.4620 ( 9158 PWs) bands (ev): -11.4365 -11.4365 -11.3337 -11.3337 -11.3099 -11.3093 -11.3062 -11.3057 -7.9820 -7.9820 -7.9715 -7.9715 -7.2918 -7.2917 -7.2741 -7.2740 -7.2659 -7.2658 -7.2172 -7.2166 -7.1002 -7.1002 -5.5591 -5.5583 -5.4384 -5.4383 -5.3353 -5.3352 -3.9772 -3.9771 -2.2584 -2.2466 -2.1089 -2.0715 -2.0465 -1.9953 -1.1323 -1.1288 -0.8586 -0.8457 -0.8355 -0.8292 -0.6600 -0.6553 -0.6140 -0.5972 -0.5793 -0.5358 -0.5117 -0.4768 -0.4508 -0.4146 -0.2890 -0.2787 2.6250 2.6273 2.9227 2.9248 k = 0.1786 0.9564 0.4436 ( 9146 PWs) bands (ev): -11.4365 -11.4365 -11.3337 -11.3337 -11.3098 -11.3093 -11.3062 -11.3057 -7.9820 -7.9820 -7.9715 -7.9714 -7.2918 -7.2916 -7.2741 -7.2740 -7.2659 -7.2658 -7.2172 -7.2166 -7.1002 -7.1002 -5.5591 -5.5583 -5.4384 -5.4383 -5.3353 -5.3352 -3.9772 -3.9771 -2.2636 -2.2524 -2.1059 -2.0710 -2.0365 -1.9900 -1.1345 -1.1312 -0.8646 -0.8535 -0.8435 -0.8365 -0.6635 -0.6578 -0.6109 -0.5960 -0.5770 -0.5351 -0.5112 -0.4793 -0.4363 -0.4014 -0.2883 -0.2775 2.6258 2.6281 2.9225 2.9247 k = 0.1607 0.9612 0.4251 ( 9140 PWs) bands (ev): -11.4365 -11.4365 -11.3338 -11.3337 -11.3098 -11.3093 -11.3062 -11.3057 -7.9820 -7.9819 -7.9715 -7.9714 -7.2918 -7.2916 -7.2740 -7.2740 -7.2659 -7.2658 -7.2172 -7.2166 -7.1002 -7.1002 -5.5591 -5.5584 -5.4384 -5.4383 -5.3353 -5.3352 -3.9772 -3.9771 -2.2693 -2.2589 -2.1023 -2.0706 -2.0251 -1.9837 -1.1372 -1.1341 -0.8719 -0.8625 -0.8530 -0.8453 -0.6673 -0.6602 -0.6068 -0.5932 -0.5733 -0.5379 -0.5079 -0.4812 -0.4216 -0.3881 -0.2870 -0.2759 2.6267 2.6291 2.9223 2.9246 k = 0.1429 0.9659 0.4066 ( 9142 PWs) bands (ev): -11.4365 -11.4365 -11.3338 -11.3337 -11.3098 -11.3093 -11.3062 -11.3057 -7.9820 -7.9819 -7.9715 -7.9714 -7.2918 -7.2916 -7.2741 -7.2740 -7.2659 -7.2658 -7.2171 -7.2166 -7.1002 -7.1002 -5.5591 -5.5584 -5.4384 -5.4383 -5.3352 -5.3352 -3.9772 -3.9771 -2.2752 -2.2657 -2.0985 -2.0703 -2.0129 -1.9767 -1.1401 -1.1373 -0.8802 -0.8721 -0.8635 -0.8551 -0.6706 -0.6619 -0.6033 -0.5879 -0.5690 -0.5411 -0.5043 -0.4825 -0.4075 -0.3757 -0.2850 -0.2737 2.6278 2.6302 2.9222 2.9244 k = 0.1250 0.9707 0.3881 ( 9138 PWs) bands (ev): -11.4365 -11.4365 -11.3338 -11.3337 -11.3098 -11.3093 -11.3061 -11.3057 -7.9820 -7.9819 -7.9715 -7.9714 -7.2917 -7.2916 -7.2740 -7.2740 -7.2659 -7.2658 -7.2171 -7.2166 -7.1002 -7.1002 -5.5591 -5.5585 -5.4384 -5.4383 -5.3352 -5.3352 -3.9772 -3.9771 -2.2808 -2.2724 -2.0946 -2.0701 -2.0006 -1.9694 -1.1433 -1.1407 -0.8892 -0.8823 -0.8739 -0.8652 -0.6729 -0.6629 -0.6009 -0.5809 -0.5652 -0.5430 -0.5016 -0.4836 -0.3947 -0.3650 -0.2820 -0.2709 2.6290 2.6314 2.9220 2.9241 k = 0.1071 0.9755 0.3696 ( 9142 PWs) bands (ev): -11.4365 -11.4365 -11.3338 -11.3338 -11.3097 -11.3093 -11.3061 -11.3057 -7.9820 -7.9819 -7.9715 -7.9714 -7.2917 -7.2916 -7.2741 -7.2740 -7.2659 -7.2658 -7.2171 -7.2166 -7.1002 -7.1002 -5.5590 -5.5585 -5.4384 -5.4383 -5.3352 -5.3352 -3.9772 -3.9771 -2.2860 -2.2788 -2.0908 -2.0700 -1.9885 -1.9623 -1.1464 -1.1442 -0.8986 -0.8929 -0.8834 -0.8750 -0.6740 -0.6634 -0.5989 -0.5739 -0.5626 -0.5424 -0.5001 -0.4847 -0.3834 -0.3565 -0.2780 -0.2675 2.6302 2.6324 2.9218 2.9239 k = 0.0893 0.9802 0.3511 ( 9140 PWs) bands (ev): -11.4365 -11.4365 -11.3338 -11.3338 -11.3097 -11.3094 -11.3061 -11.3058 -7.9820 -7.9819 -7.9715 -7.9714 -7.2917 -7.2916 -7.2741 -7.2740 -7.2659 -7.2658 -7.2170 -7.2167 -7.1002 -7.1002 -5.5590 -5.5585 -5.4384 -5.4383 -5.3352 -5.3352 -3.9773 -3.9771 -2.2906 -2.2845 -2.0872 -2.0701 -1.9772 -1.9556 -1.1495 -1.1476 -0.9078 -0.9033 -0.8914 -0.8840 -0.6742 -0.6637 -0.5970 -0.5700 -0.5590 -0.5390 -0.4997 -0.4859 -0.3738 -0.3504 -0.2731 -0.2639 2.6314 2.6334 2.9217 2.9235 k = 0.0714 0.9850 0.3327 ( 9146 PWs) bands (ev): -11.4365 -11.4365 -11.3338 -11.3338 -11.3097 -11.3094 -11.3060 -11.3058 -7.9820 -7.9820 -7.9715 -7.9715 -7.2917 -7.2916 -7.2741 -7.2740 -7.2659 -7.2659 -7.2170 -7.2167 -7.1002 -7.1002 -5.5590 -5.5586 -5.4384 -5.4383 -5.3352 -5.3351 -3.9773 -3.9771 -2.2944 -2.2895 -2.0839 -2.0703 -1.9670 -1.9499 -1.1522 -1.1507 -0.9162 -0.9128 -0.8979 -0.8917 -0.6736 -0.6641 -0.5948 -0.5709 -0.5522 -0.5343 -0.5003 -0.4876 -0.3660 -0.3467 -0.2677 -0.2602 2.6326 2.6343 2.9216 2.9232 k = 0.0536 0.9898 0.3142 ( 9158 PWs) bands (ev): -11.4365 -11.4365 -11.3338 -11.3338 -11.3096 -11.3094 -11.3060 -11.3058 -7.9820 -7.9820 -7.9715 -7.9715 -7.2917 -7.2917 -7.2741 -7.2740 -7.2660 -7.2659 -7.2170 -7.2167 -7.1002 -7.1002 -5.5589 -5.5586 -5.4384 -5.4383 -5.3352 -5.3351 -3.9772 -3.9772 -2.2974 -2.2937 -2.0809 -2.0708 -1.9583 -1.9456 -1.1545 -1.1533 -0.9234 -0.9210 -0.9028 -0.8981 -0.6725 -0.6646 -0.5923 -0.5735 -0.5449 -0.5297 -0.5013 -0.4899 -0.3596 -0.3448 -0.2626 -0.2570 2.6336 2.6350 2.9216 2.9229 k = 0.0357 0.9945 0.2957 ( 9152 PWs) bands (ev): -11.4365 -11.4365 -11.3338 -11.3338 -11.3096 -11.3095 -11.3060 -11.3058 -7.9820 -7.9820 -7.9715 -7.9715 -7.2917 -7.2917 -7.2741 -7.2740 -7.2659 -7.2659 -7.2169 -7.2168 -7.1002 -7.1002 -5.5589 -5.5587 -5.4384 -5.4383 -5.3351 -5.3351 -3.9772 -3.9772 -2.2993 -2.2969 -2.0783 -2.0716 -1.9512 -1.9428 -1.1562 -1.1554 -0.9287 -0.9271 -0.9061 -0.9030 -0.6711 -0.6655 -0.5895 -0.5766 -0.5380 -0.5263 -0.5019 -0.4927 -0.3545 -0.3446 -0.2583 -0.2546 2.6344 2.6354 2.9217 2.9226 k = 0.0179 0.9993 0.2772 ( 9142 PWs) bands (ev): -11.4365 -11.4365 -11.3338 -11.3338 -11.3096 -11.3095 -11.3059 -11.3059 -7.9820 -7.9820 -7.9715 -7.9714 -7.2917 -7.2917 -7.2741 -7.2740 -7.2659 -7.2659 -7.2169 -7.2168 -7.1002 -7.1002 -5.5588 -5.5588 -5.4383 -5.4383 -5.3351 -5.3351 -3.9772 -3.9772 -2.3003 -2.2991 -2.0760 -2.0727 -1.9460 -1.9418 -1.1572 -1.1568 -0.9319 -0.9311 -0.9079 -0.9063 -0.6695 -0.6666 -0.5865 -0.5799 -0.5321 -0.5255 -0.5013 -0.4959 -0.3505 -0.3455 -0.2552 -0.2533 2.6350 2.6355 2.9218 2.9223 k = 0.0000 1.0040 0.2587 ( 9136 PWs) bands (ev): -11.4365 -11.4365 -11.3338 -11.3338 -11.3095 -11.3095 -11.3059 -11.3059 -7.9819 -7.9819 -7.9714 -7.9714 -7.2917 -7.2917 -7.2740 -7.2740 -7.2659 -7.2659 -7.2168 -7.2168 -7.1002 -7.1002 -5.5588 -5.5588 -5.4383 -5.4383 -5.3351 -5.3351 -3.9772 -3.9772 -2.3002 -2.3002 -2.0742 -2.0742 -1.9429 -1.9429 -1.1574 -1.1574 -0.9327 -0.9327 -0.9079 -0.9079 -0.6680 -0.6680 -0.5832 -0.5832 -0.5277 -0.5277 -0.4990 -0.4990 -0.3475 -0.3475 -0.2535 -0.2535 2.6354 2.6354 2.9220 2.9220 k = 0.0000 1.0040 0.2587 ( 9136 PWs) bands (ev): -11.4365 -11.4365 -11.3338 -11.3338 -11.3095 -11.3095 -11.3059 -11.3059 -7.9819 -7.9819 -7.9714 -7.9714 -7.2917 -7.2917 -7.2740 -7.2740 -7.2659 -7.2659 -7.2168 -7.2168 -7.1002 -7.1002 -5.5588 -5.5588 -5.4383 -5.4383 -5.3351 -5.3351 -3.9772 -3.9772 -2.3002 -2.3002 -2.0742 -2.0742 -1.9429 -1.9429 -1.1574 -1.1574 -0.9327 -0.9327 -0.9079 -0.9079 -0.6680 -0.6680 -0.5832 -0.5832 -0.5277 -0.5277 -0.4990 -0.4990 -0.3475 -0.3475 -0.2535 -0.2535 2.6354 2.6354 2.9220 2.9220 k =-0.0190 0.9996 0.2760 ( 9138 PWs) bands (ev): -11.4366 -11.4366 -11.3338 -11.3335 -11.3096 -11.3096 -11.3062 -11.3058 -7.9819 -7.9819 -7.9715 -7.9715 -7.2917 -7.2917 -7.2740 -7.2740 -7.2659 -7.2659 -7.2169 -7.2167 -7.1003 -7.1002 -5.5590 -5.5586 -5.4384 -5.4383 -5.3353 -5.3350 -3.9773 -3.9771 -2.2995 -2.2986 -2.0744 -2.0732 -1.9435 -1.9428 -1.1591 -1.1581 -0.9344 -0.9312 -0.9087 -0.9066 -0.6718 -0.6657 -0.5898 -0.5810 -0.5301 -0.5232 -0.5015 -0.4933 -0.3488 -0.3460 -0.2542 -0.2530 2.6363 2.6364 2.9220 2.9221 k =-0.0381 0.9952 0.2932 ( 9138 PWs) bands (ev): -11.4368 -11.4368 -11.3336 -11.3329 -11.3099 -11.3098 -11.3065 -11.3058 -7.9820 -7.9820 -7.9715 -7.9714 -7.2917 -7.2916 -7.2741 -7.2741 -7.2659 -7.2659 -7.2170 -7.2166 -7.1004 -7.1002 -5.5591 -5.5584 -5.4385 -5.4384 -5.3355 -5.3350 -3.9775 -3.9771 -2.2965 -2.2948 -2.0739 -2.0715 -1.9446 -1.9432 -1.1631 -1.1613 -0.9360 -0.9300 -0.9089 -0.9050 -0.6774 -0.6651 -0.5984 -0.5836 -0.5285 -0.5189 -0.5007 -0.4851 -0.3498 -0.3444 -0.2549 -0.2525 2.6390 2.6391 2.9219 2.9222 k =-0.0571 0.9907 0.3105 ( 9150 PWs) bands (ev): -11.4372 -11.4372 -11.3331 -11.3320 -11.3102 -11.3101 -11.3070 -11.3059 -7.9820 -7.9820 -7.9715 -7.9715 -7.2917 -7.2916 -7.2741 -7.2741 -7.2659 -7.2659 -7.2170 -7.2165 -7.1006 -7.1003 -5.5592 -5.5582 -5.4387 -5.4385 -5.3358 -5.3350 -3.9777 -3.9771 -2.2914 -2.2888 -2.0726 -2.0691 -1.9462 -1.9441 -1.1693 -1.1667 -0.9373 -0.9289 -0.9086 -0.9034 -0.6855 -0.6672 -0.6072 -0.5886 -0.5244 -0.5146 -0.4973 -0.4754 -0.3504 -0.3431 -0.2557 -0.2522 2.6434 2.6437 2.9219 2.9224 k =-0.0762 0.9863 0.3277 ( 9142 PWs) bands (ev): -11.4377 -11.4377 -11.3323 -11.3309 -11.3108 -11.3106 -11.3076 -11.3061 -7.9820 -7.9820 -7.9715 -7.9714 -7.2916 -7.2916 -7.2742 -7.2742 -7.2659 -7.2659 -7.2170 -7.2164 -7.1009 -7.1005 -5.5593 -5.5580 -5.4389 -5.4387 -5.3361 -5.3351 -3.9779 -3.9772 -2.2842 -2.2807 -2.0707 -2.0660 -1.9481 -1.9454 -1.1775 -1.1743 -0.9381 -0.9280 -0.9081 -0.9019 -0.6964 -0.6735 -0.6141 -0.5929 -0.5202 -0.5086 -0.4920 -0.4655 -0.3510 -0.3423 -0.2565 -0.2518 2.6496 2.6499 2.9221 2.9226 k =-0.0952 0.9818 0.3450 ( 9141 PWs) bands (ev): -11.4384 -11.4384 -11.3313 -11.3295 -11.3114 -11.3112 -11.3083 -11.3064 -7.9820 -7.9820 -7.9714 -7.9714 -7.2916 -7.2916 -7.2743 -7.2742 -7.2659 -7.2659 -7.2170 -7.2163 -7.1012 -7.1007 -5.5593 -5.5578 -5.4392 -5.4390 -5.3365 -5.3353 -3.9782 -3.9772 -2.2750 -2.2706 -2.0680 -2.0621 -1.9505 -1.9471 -1.1872 -1.1836 -0.9382 -0.9268 -0.9078 -0.9008 -0.7099 -0.6848 -0.6177 -0.5957 -0.5160 -0.5010 -0.4855 -0.4559 -0.3519 -0.3424 -0.2573 -0.2515 2.6574 2.6578 2.9224 2.9230 k =-0.1142 0.9774 0.3622 ( 9141 PWs) bands (ev): -11.4393 -11.4392 -11.3301 -11.3280 -11.3122 -11.3120 -11.3091 -11.3067 -7.9821 -7.9820 -7.9714 -7.9714 -7.2915 -7.2915 -7.2744 -7.2743 -7.2660 -7.2659 -7.2170 -7.2162 -7.1015 -7.1010 -5.5593 -5.5577 -5.4396 -5.4393 -5.3369 -5.3356 -3.9784 -3.9774 -2.2640 -2.2588 -2.0646 -2.0577 -1.9532 -1.9491 -1.1983 -1.1945 -0.9377 -0.9254 -0.9077 -0.9003 -0.7253 -0.7001 -0.6183 -0.5974 -0.5111 -0.4924 -0.4782 -0.4469 -0.3532 -0.3434 -0.2581 -0.2513 2.6668 2.6672 2.9229 2.9235 k =-0.1333 0.9729 0.3795 ( 9140 PWs) bands (ev): -11.4403 -11.4402 -11.3288 -11.3262 -11.3130 -11.3128 -11.3099 -11.3071 -7.9821 -7.9821 -7.9714 -7.9714 -7.2915 -7.2914 -7.2745 -7.2744 -7.2660 -7.2659 -7.2169 -7.2161 -7.1019 -7.1014 -5.5593 -5.5575 -5.4399 -5.4396 -5.3373 -5.3360 -3.9786 -3.9775 -2.2515 -2.2454 -2.0606 -2.0526 -1.9560 -1.9513 -1.2102 -1.2064 -0.9366 -0.9238 -0.9082 -0.9004 -0.7418 -0.7176 -0.6173 -0.5984 -0.5050 -0.4835 -0.4704 -0.4386 -0.3553 -0.3456 -0.2588 -0.2513 2.6776 2.6781 2.9238 2.9244 k =-0.1523 0.9685 0.3967 ( 9147 PWs) bands (ev): -11.4415 -11.4414 -11.3273 -11.3244 -11.3140 -11.3137 -11.3107 -11.3076 -7.9821 -7.9821 -7.9714 -7.9714 -7.2914 -7.2914 -7.2746 -7.2746 -7.2660 -7.2659 -7.2168 -7.2160 -7.1023 -7.1018 -5.5592 -5.5573 -5.4403 -5.4400 -5.3378 -5.3364 -3.9789 -3.9777 -2.2377 -2.2309 -2.0558 -2.0470 -1.9589 -1.9537 -1.2227 -1.2190 -0.9350 -0.9223 -0.9093 -0.9012 -0.7586 -0.7357 -0.6155 -0.5991 -0.4976 -0.4747 -0.4620 -0.4309 -0.3582 -0.3488 -0.2598 -0.2518 2.6898 2.6903 2.9250 2.9256 k =-0.1713 0.9640 0.4140 ( 9150 PWs) bands (ev): -11.4428 -11.4427 -11.3258 -11.3225 -11.3151 -11.3147 -11.3114 -11.3079 -7.9822 -7.9822 -7.9714 -7.9714 -7.2913 -7.2913 -7.2748 -7.2747 -7.2660 -7.2659 -7.2167 -7.2159 -7.1028 -7.1023 -5.5590 -5.5572 -5.4407 -5.4404 -5.3383 -5.3369 -3.9790 -3.9779 -2.2229 -2.2156 -2.0502 -2.0409 -1.9616 -1.9561 -1.2355 -1.2320 -0.9333 -0.9214 -0.9112 -0.9028 -0.7747 -0.7532 -0.6135 -0.5999 -0.4892 -0.4663 -0.4529 -0.4240 -0.3621 -0.3529 -0.2609 -0.2529 2.7033 2.7037 2.9266 2.9271 k =-0.1904 0.9596 0.4312 ( 9152 PWs) bands (ev): -11.4442 -11.4442 -11.3244 -11.3209 -11.3162 -11.3156 -11.3119 -11.3081 -7.9822 -7.9822 -7.9714 -7.9714 -7.2913 -7.2912 -7.2749 -7.2749 -7.2660 -7.2660 -7.2166 -7.2158 -7.1033 -7.1028 -5.5588 -5.5571 -5.4412 -5.4408 -5.3388 -5.3375 -3.9792 -3.9782 -2.2076 -2.2000 -2.0439 -2.0344 -1.9638 -1.9584 -1.2481 -1.2450 -0.9317 -0.9217 -0.9139 -0.9052 -0.7888 -0.7692 -0.6114 -0.6006 -0.4801 -0.4589 -0.4431 -0.4177 -0.3669 -0.3579 -0.2624 -0.2547 2.7178 2.7183 2.9286 2.9290 k =-0.2094 0.9551 0.4485 ( 9160 PWs) bands (ev): -11.4459 -11.4458 -11.3232 -11.3199 -11.3173 -11.3166 -11.3118 -11.3081 -7.9823 -7.9823 -7.9714 -7.9714 -7.2912 -7.2912 -7.2751 -7.2751 -7.2661 -7.2660 -7.2164 -7.2157 -7.1038 -7.1033 -5.5585 -5.5569 -5.4416 -5.4413 -5.3393 -5.3381 -3.9793 -3.9784 -2.1922 -2.1847 -2.0365 -2.0275 -1.9653 -1.9604 -1.2603 -1.2577 -0.9309 -0.9238 -0.9177 -0.9089 -0.7996 -0.7826 -0.6095 -0.6013 -0.4706 -0.4524 -0.4329 -0.4121 -0.3723 -0.3637 -0.2643 -0.2574 2.7335 2.7339 2.9310 2.9313 k =-0.2285 0.9507 0.4657 ( 9150 PWs) bands (ev): -11.4477 -11.4477 -11.3223 -11.3199 -11.3182 -11.3175 -11.3107 -11.3078 -7.9823 -7.9823 -7.9714 -7.9714 -7.2911 -7.2911 -7.2753 -7.2753 -7.2661 -7.2660 -7.2162 -7.2156 -7.1043 -7.1039 -5.5581 -5.5569 -5.4420 -5.4418 -5.3398 -5.3389 -3.9794 -3.9787 -2.1773 -2.1705 -2.0282 -2.0204 -1.9657 -1.9618 -1.2719 -1.2698 -0.9316 -0.9276 -0.9227 -0.9144 -0.8060 -0.7926 -0.6077 -0.6019 -0.4611 -0.4469 -0.4228 -0.4071 -0.3781 -0.3700 -0.2666 -0.2609 2.7501 2.7504 2.9338 2.9340 k =-0.2475 0.9463 0.4830 ( 9150 PWs) bands (ev): -11.4497 -11.4497 -11.3220 -11.3206 -11.3189 -11.3184 -11.3089 -11.3070 -7.9824 -7.9824 -7.9714 -7.9714 -7.2909 -7.2909 -7.2755 -7.2755 -7.2661 -7.2660 -7.2160 -7.2156 -7.1048 -7.1045 -5.5577 -5.5568 -5.4424 -5.4422 -5.3403 -5.3397 -3.9795 -3.9790 -2.1633 -2.1580 -2.0189 -2.0131 -1.9646 -1.9622 -1.2825 -1.2810 -0.9345 -0.9328 -0.9287 -0.9222 -0.8073 -0.7985 -0.6060 -0.6023 -0.4522 -0.4425 -0.4133 -0.4028 -0.3840 -0.3768 -0.2692 -0.2650 2.7677 2.7679 2.9369 2.9370 k =-0.2665 0.9418 0.5002 ( 9144 PWs) bands (ev): -11.4520 -11.4520 -11.3221 -11.3216 -11.3196 -11.3192 -11.3066 -11.3057 -7.9825 -7.9825 -7.9713 -7.9713 -7.2908 -7.2908 -7.2757 -7.2757 -7.2660 -7.2660 -7.2157 -7.2155 -7.1053 -7.1052 -5.5573 -5.5568 -5.4427 -5.4426 -5.3409 -5.3405 -3.9796 -3.9793 -2.1509 -2.1478 -2.0090 -2.0059 -1.9618 -1.9609 -1.2920 -1.2912 -0.9400 -0.9393 -0.9352 -0.9317 -0.8041 -0.7999 -0.6045 -0.6027 -0.4445 -0.4395 -0.4052 -0.3994 -0.3890 -0.3837 -0.2719 -0.2697 2.7861 2.7862 2.9402 2.9402 k =-0.2856 0.9374 0.5175 ( 9160 PWs) bands (ev): -11.4545 -11.4545 -11.3227 -11.3227 -11.3201 -11.3201 -11.3041 -11.3041 -7.9826 -7.9826 -7.9713 -7.9713 -7.2907 -7.2907 -7.2760 -7.2760 -7.2661 -7.2661 -7.2155 -7.2155 -7.1058 -7.1058 -5.5567 -5.5567 -5.4431 -5.4431 -5.3414 -5.3414 -3.9796 -3.9796 -2.1405 -2.1405 -1.9992 -1.9992 -1.9568 -1.9568 -1.3002 -1.3002 -0.9475 -0.9473 -0.9420 -0.9418 -0.7973 -0.7972 -0.6029 -0.6029 -0.4387 -0.4386 -0.3992 -0.3991 -0.3899 -0.3898 -0.2745 -0.2744 2.8053 2.8053 2.9436 2.9436 k =-0.2856 0.9374 0.5175 ( 9160 PWs) bands (ev): -11.4545 -11.4545 -11.3227 -11.3227 -11.3201 -11.3201 -11.3041 -11.3041 -7.9826 -7.9826 -7.9713 -7.9713 -7.2907 -7.2907 -7.2760 -7.2760 -7.2661 -7.2661 -7.2155 -7.2155 -7.1058 -7.1058 -5.5567 -5.5567 -5.4431 -5.4431 -5.3414 -5.3414 -3.9796 -3.9796 -2.1405 -2.1405 -1.9992 -1.9992 -1.9568 -1.9568 -1.3002 -1.3002 -0.9475 -0.9473 -0.9420 -0.9418 -0.7973 -0.7972 -0.6029 -0.6029 -0.4387 -0.4386 -0.3992 -0.3991 -0.3899 -0.3898 -0.2745 -0.2744 2.8053 2.8053 2.9436 2.9436 k =-0.2923 0.9122 0.5175 ( 9144 PWs) bands (ev): -11.4622 -11.4622 -11.3255 -11.3255 -11.3223 -11.3223 -11.2975 -11.2975 -7.9828 -7.9828 -7.9712 -7.9712 -7.2903 -7.2903 -7.2767 -7.2767 -7.2661 -7.2661 -7.2150 -7.2150 -7.1077 -7.1076 -5.5558 -5.5558 -5.4441 -5.4441 -5.3437 -5.3437 -3.9803 -3.9803 -2.1180 -2.1180 -1.9761 -1.9760 -1.9392 -1.9392 -1.3233 -1.3233 -0.9710 -0.9708 -0.9661 -0.9659 -0.7790 -0.7789 -0.6007 -0.6007 -0.4338 -0.4337 -0.4010 -0.4010 -0.3886 -0.3886 -0.2855 -0.2854 2.8645 2.8645 2.9546 2.9546 k =-0.2990 0.8871 0.5175 ( 9136 PWs) bands (ev): -11.4708 -11.4707 -11.3285 -11.3285 -11.3249 -11.3249 -11.2905 -11.2905 -7.9830 -7.9830 -7.9712 -7.9712 -7.2899 -7.2899 -7.2776 -7.2776 -7.2661 -7.2661 -7.2144 -7.2144 -7.1097 -7.1097 -5.5548 -5.5548 -5.4451 -5.4451 -5.3463 -5.3463 -3.9808 -3.9808 -2.0942 -2.0942 -1.9507 -1.9507 -1.9199 -1.9199 -1.3476 -1.3476 -0.9945 -0.9943 -0.9897 -0.9896 -0.7602 -0.7602 -0.5977 -0.5977 -0.4312 -0.4311 -0.4046 -0.4046 -0.3838 -0.3838 -0.2979 -0.2978 2.9270 2.9270 2.9718 2.9718 k =-0.3057 0.8620 0.5175 ( 9168 PWs) bands (ev): -11.4798 -11.4798 -11.3318 -11.3318 -11.3277 -11.3277 -11.2834 -11.2834 -7.9835 -7.9835 -7.9711 -7.9711 -7.2894 -7.2894 -7.2786 -7.2786 -7.2662 -7.2662 -7.2138 -7.2138 -7.1119 -7.1119 -5.5535 -5.5535 -5.4461 -5.4461 -5.3492 -5.3492 -3.9813 -3.9813 -2.0692 -2.0692 -1.9233 -1.9233 -1.8993 -1.8993 -1.3729 -1.3729 -1.0177 -1.0176 -1.0127 -1.0126 -0.7416 -0.7415 -0.5940 -0.5940 -0.4318 -0.4317 -0.4057 -0.4056 -0.3794 -0.3794 -0.3110 -0.3110 2.9635 2.9635 3.0241 3.0241 k =-0.3124 0.8369 0.5175 ( 9184 PWs) bands (ev): -11.4893 -11.4893 -11.3351 -11.3351 -11.3307 -11.3307 -11.2763 -11.2763 -7.9839 -7.9839 -7.9711 -7.9711 -7.2889 -7.2889 -7.2797 -7.2797 -7.2663 -7.2663 -7.2131 -7.2131 -7.1143 -7.1143 -5.5522 -5.5522 -5.4472 -5.4472 -5.3525 -5.3525 -3.9816 -3.9816 -2.0432 -2.0432 -1.8941 -1.8940 -1.8775 -1.8774 -1.3991 -1.3991 -1.0404 -1.0404 -1.0348 -1.0347 -0.7238 -0.7237 -0.5892 -0.5892 -0.4348 -0.4347 -0.4044 -0.4044 -0.3760 -0.3760 -0.3241 -0.3241 2.9790 2.9790 3.1058 3.1058 k =-0.3191 0.8117 0.5175 ( 9168 PWs) bands (ev): -11.4992 -11.4992 -11.3386 -11.3386 -11.3338 -11.3338 -11.2695 -11.2695 -7.9842 -7.9842 -7.9709 -7.9709 -7.2883 -7.2883 -7.2809 -7.2809 -7.2663 -7.2663 -7.2123 -7.2123 -7.1168 -7.1168 -5.5506 -5.5506 -5.4482 -5.4482 -5.3560 -5.3560 -3.9818 -3.9817 -2.0164 -2.0164 -1.8632 -1.8631 -1.8548 -1.8547 -1.4259 -1.4259 -1.0622 -1.0622 -1.0556 -1.0556 -0.7077 -0.7076 -0.5830 -0.5830 -0.4388 -0.4387 -0.4023 -0.4023 -0.3738 -0.3738 -0.3362 -0.3362 2.9921 2.9921 3.1974 3.1974 k =-0.3258 0.7866 0.5175 ( 9156 PWs) bands (ev): -11.5093 -11.5092 -11.3421 -11.3421 -11.3371 -11.3371 -11.2629 -11.2629 -7.9846 -7.9846 -7.9708 -7.9708 -7.2877 -7.2877 -7.2821 -7.2821 -7.2664 -7.2664 -7.2115 -7.2115 -7.1195 -7.1195 -5.5490 -5.5490 -5.4492 -5.4492 -5.3598 -5.3598 -3.9817 -3.9817 -1.9892 -1.9892 -1.8326 -1.8325 -1.8298 -1.8297 -1.4531 -1.4531 -1.0826 -1.0826 -1.0751 -1.0751 -0.6942 -0.6942 -0.5749 -0.5749 -0.4428 -0.4428 -0.4005 -0.4004 -0.3736 -0.3735 -0.3460 -0.3459 3.0049 3.0049 3.2962 3.2962 k =-0.3325 0.7615 0.5175 ( 9156 PWs) bands (ev): -11.5195 -11.5195 -11.3457 -11.3457 -11.3404 -11.3404 -11.2566 -11.2565 -7.9850 -7.9850 -7.9707 -7.9707 -7.2870 -7.2870 -7.2834 -7.2834 -7.2665 -7.2665 -7.2107 -7.2107 -7.1223 -7.1223 -5.5472 -5.5472 -5.4503 -5.4503 -5.3639 -5.3639 -3.9813 -3.9813 -1.9619 -1.9618 -1.8087 -1.8087 -1.7967 -1.7966 -1.4803 -1.4803 -1.1014 -1.1013 -1.0928 -1.0927 -0.6845 -0.6844 -0.5644 -0.5643 -0.4467 -0.4466 -0.3994 -0.3993 -0.3755 -0.3755 -0.3523 -0.3522 3.0179 3.0179 3.4009 3.4009 k =-0.3392 0.7364 0.5175 ( 9140 PWs) bands (ev): -11.5298 -11.5298 -11.3494 -11.3494 -11.3438 -11.3438 -11.2506 -11.2506 -7.9855 -7.9855 -7.9706 -7.9706 -7.2862 -7.2862 -7.2847 -7.2847 -7.2665 -7.2665 -7.2098 -7.2098 -7.1252 -7.1252 -5.5453 -5.5453 -5.4512 -5.4512 -5.3682 -5.3682 -3.9808 -3.9808 -1.9348 -1.9348 -1.7858 -1.7858 -1.7621 -1.7621 -1.5072 -1.5072 -1.1179 -1.1179 -1.1083 -1.1083 -0.6790 -0.6790 -0.5513 -0.5513 -0.4501 -0.4501 -0.3995 -0.3995 -0.3787 -0.3786 -0.3555 -0.3554 3.0309 3.0309 3.5103 3.5103 k =-0.3459 0.7112 0.5175 ( 9148 PWs) bands (ev): -11.5402 -11.5402 -11.3531 -11.3531 -11.3472 -11.3472 -11.2449 -11.2449 -7.9861 -7.9861 -7.9705 -7.9705 -7.2862 -7.2861 -7.2855 -7.2855 -7.2666 -7.2666 -7.2088 -7.2088 -7.1282 -7.1282 -5.5433 -5.5433 -5.4522 -5.4522 -5.3727 -5.3727 -3.9800 -3.9800 -1.9084 -1.9084 -1.7638 -1.7638 -1.7274 -1.7274 -1.5331 -1.5331 -1.1318 -1.1318 -1.1212 -1.1212 -0.6777 -0.6777 -0.5362 -0.5362 -0.4529 -0.4529 -0.4009 -0.4008 -0.3811 -0.3810 -0.3573 -0.3572 3.0441 3.0441 3.6228 3.6228 k =-0.3526 0.6861 0.5175 ( 9164 PWs) bands (ev): -11.5505 -11.5505 -11.3569 -11.3569 -11.3507 -11.3506 -11.2396 -11.2396 -7.9866 -7.9866 -7.9704 -7.9704 -7.2876 -7.2876 -7.2848 -7.2848 -7.2667 -7.2667 -7.2079 -7.2079 -7.1313 -7.1313 -5.5412 -5.5412 -5.4531 -5.4531 -5.3774 -5.3774 -3.9789 -3.9789 -1.8834 -1.8833 -1.7434 -1.7434 -1.6940 -1.6940 -1.5561 -1.5561 -1.1425 -1.1425 -1.1311 -1.1311 -0.6803 -0.6803 -0.5199 -0.5199 -0.4547 -0.4547 -0.4028 -0.4027 -0.3823 -0.3822 -0.3588 -0.3588 3.0572 3.0572 3.7347 3.7347 k =-0.3593 0.6610 0.5175 ( 9168 PWs) bands (ev): -11.5608 -11.5608 -11.3606 -11.3606 -11.3541 -11.3541 -11.2347 -11.2347 -7.9872 -7.9872 -7.9703 -7.9703 -7.2891 -7.2891 -7.2840 -7.2840 -7.2668 -7.2668 -7.2069 -7.2069 -7.1344 -7.1344 -5.5390 -5.5390 -5.4540 -5.4540 -5.3823 -5.3823 -3.9777 -3.9776 -1.8601 -1.8600 -1.7252 -1.7252 -1.6671 -1.6671 -1.5713 -1.5713 -1.1496 -1.1496 -1.1374 -1.1374 -0.6860 -0.6860 -0.5038 -0.5038 -0.4548 -0.4548 -0.4045 -0.4044 -0.3825 -0.3824 -0.3607 -0.3606 3.0703 3.0703 3.8358 3.8358 k =-0.3660 0.6359 0.5175 ( 9160 PWs) bands (ev): -11.5709 -11.5709 -11.3643 -11.3643 -11.3576 -11.3576 -11.2301 -11.2301 -7.9878 -7.9878 -7.9701 -7.9701 -7.2906 -7.2906 -7.2832 -7.2832 -7.2669 -7.2669 -7.2059 -7.2059 -7.1376 -7.1375 -5.5368 -5.5368 -5.4548 -5.4548 -5.3872 -5.3872 -3.9762 -3.9762 -1.8391 -1.8390 -1.7099 -1.7099 -1.6586 -1.6586 -1.5663 -1.5663 -1.1525 -1.1525 -1.1398 -1.1398 -0.6942 -0.6942 -0.4897 -0.4897 -0.4520 -0.4519 -0.4057 -0.4057 -0.3821 -0.3820 -0.3630 -0.3630 3.0831 3.0831 3.9001 3.9001 k =-0.3727 0.6107 0.5175 ( 9144 PWs) bands (ev): -11.5808 -11.5808 -11.3680 -11.3680 -11.3610 -11.3610 -11.2258 -11.2258 -7.9883 -7.9883 -7.9700 -7.9700 -7.2920 -7.2920 -7.2823 -7.2823 -7.2670 -7.2670 -7.2049 -7.2049 -7.1407 -7.1407 -5.5345 -5.5345 -5.4556 -5.4556 -5.3922 -5.3922 -3.9745 -3.9745 -1.8209 -1.8209 -1.6988 -1.6987 -1.6695 -1.6695 -1.5394 -1.5394 -1.1509 -1.1508 -1.1380 -1.1379 -0.7042 -0.7042 -0.4798 -0.4798 -0.4446 -0.4445 -0.4067 -0.4067 -0.3811 -0.3810 -0.3658 -0.3658 3.0957 3.0957 3.9128 3.9129 k =-0.3794 0.5856 0.5175 ( 9156 PWs) bands (ev): -11.5906 -11.5906 -11.3716 -11.3716 -11.3644 -11.3644 -11.2219 -11.2219 -7.9890 -7.9890 -7.9699 -7.9699 -7.2935 -7.2935 -7.2815 -7.2815 -7.2671 -7.2671 -7.2039 -7.2039 -7.1439 -7.1438 -5.5322 -5.5322 -5.4563 -5.4563 -5.3973 -5.3973 -3.9727 -3.9727 -1.8060 -1.8060 -1.6993 -1.6992 -1.6804 -1.6803 -1.5028 -1.5028 -1.1445 -1.1445 -1.1316 -1.1316 -0.7156 -0.7156 -0.4744 -0.4744 -0.4332 -0.4331 -0.4076 -0.4076 -0.3795 -0.3794 -0.3688 -0.3687 3.1080 3.1080 3.8992 3.8992 k =-0.3861 0.5605 0.5175 ( 9156 PWs) bands (ev): -11.6000 -11.6000 -11.3752 -11.3752 -11.3677 -11.3677 -11.2183 -11.2183 -7.9896 -7.9896 -7.9698 -7.9698 -7.2950 -7.2950 -7.2807 -7.2807 -7.2672 -7.2672 -7.2028 -7.2028 -7.1470 -7.1470 -5.5299 -5.5299 -5.4570 -5.4570 -5.4023 -5.4023 -3.9707 -3.9707 -1.7945 -1.7945 -1.7177 -1.7177 -1.6787 -1.6787 -1.4625 -1.4625 -1.1335 -1.1335 -1.1208 -1.1207 -0.7278 -0.7278 -0.4714 -0.4713 -0.4217 -0.4216 -0.4080 -0.4079 -0.3784 -0.3783 -0.3702 -0.3701 3.1198 3.1198 3.8768 3.8768 k =-0.3928 0.5354 0.5175 ( 9180 PWs) bands (ev): -11.6092 -11.6092 -11.3787 -11.3787 -11.3709 -11.3709 -11.2150 -11.2150 -7.9903 -7.9903 -7.9697 -7.9697 -7.2965 -7.2965 -7.2800 -7.2800 -7.2673 -7.2673 -7.2018 -7.2018 -7.1500 -7.1500 -5.5275 -5.5275 -5.4576 -5.4576 -5.4074 -5.4074 -3.9686 -3.9686 -1.7869 -1.7868 -1.7392 -1.7392 -1.6772 -1.6771 -1.4204 -1.4204 -1.1181 -1.1181 -1.1056 -1.1056 -0.7404 -0.7404 -0.4693 -0.4693 -0.4166 -0.4165 -0.4042 -0.4041 -0.3803 -0.3803 -0.3666 -0.3666 3.1310 3.1310 3.8517 3.8517 k =-0.3995 0.5102 0.5175 ( 9172 PWs) bands (ev): -11.6180 -11.6180 -11.3820 -11.3820 -11.3741 -11.3741 -11.2120 -11.2120 -7.9909 -7.9909 -7.9696 -7.9696 -7.2979 -7.2979 -7.2792 -7.2792 -7.2674 -7.2674 -7.2008 -7.2008 -7.1531 -7.1530 -5.5252 -5.5252 -5.4582 -5.4582 -5.4123 -5.4123 -3.9665 -3.9665 -1.7842 -1.7842 -1.7589 -1.7589 -1.6780 -1.6780 -1.3773 -1.3772 -1.0988 -1.0988 -1.0866 -1.0865 -0.7531 -0.7531 -0.4677 -0.4677 -0.4181 -0.4181 -0.3991 -0.3990 -0.3827 -0.3826 -0.3586 -0.3586 3.1417 3.1417 3.8259 3.8259 k =-0.4062 0.4851 0.5175 ( 9172 PWs) bands (ev): -11.6264 -11.6264 -11.3852 -11.3852 -11.3771 -11.3771 -11.2093 -11.2093 -7.9915 -7.9915 -7.9695 -7.9695 -7.2992 -7.2992 -7.2784 -7.2784 -7.2675 -7.2675 -7.1998 -7.1998 -7.1560 -7.1560 -5.5229 -5.5229 -5.4587 -5.4587 -5.4172 -5.4172 -3.9643 -3.9643 -1.7924 -1.7923 -1.7699 -1.7699 -1.6811 -1.6811 -1.3335 -1.3335 -1.0762 -1.0761 -1.0642 -1.0642 -0.7657 -0.7657 -0.4665 -0.4664 -0.4217 -0.4216 -0.4000 -0.3999 -0.3822 -0.3822 -0.3476 -0.3476 3.1517 3.1517 3.8004 3.8004 k =-0.4129 0.4600 0.5175 ( 9176 PWs) bands (ev): -11.6344 -11.6344 -11.3883 -11.3883 -11.3800 -11.3800 -11.2069 -11.2069 -7.9921 -7.9921 -7.9694 -7.9694 -7.3005 -7.3005 -7.2777 -7.2777 -7.2676 -7.2676 -7.1988 -7.1988 -7.1588 -7.1588 -5.5206 -5.5206 -5.4592 -5.4592 -5.4219 -5.4219 -3.9622 -3.9622 -1.8099 -1.8099 -1.7730 -1.7730 -1.6860 -1.6860 -1.2896 -1.2896 -1.0509 -1.0508 -1.0392 -1.0391 -0.7779 -0.7779 -0.4657 -0.4656 -0.4260 -0.4260 -0.4052 -0.4052 -0.3805 -0.3804 -0.3349 -0.3348 3.1610 3.1610 3.7758 3.7758 k =-0.4196 0.4349 0.5175 ( 9196 PWs) bands (ev): -11.6419 -11.6419 -11.3912 -11.3912 -11.3827 -11.3827 -11.2047 -11.2047 -7.9927 -7.9927 -7.9693 -7.9693 -7.3018 -7.3018 -7.2770 -7.2770 -7.2677 -7.2677 -7.1979 -7.1978 -7.1616 -7.1616 -5.5184 -5.5184 -5.4596 -5.4596 -5.4265 -5.4265 -3.9600 -3.9600 -1.8287 -1.8287 -1.7755 -1.7755 -1.6923 -1.6922 -1.2457 -1.2457 -1.0236 -1.0235 -1.0120 -1.0120 -0.7895 -0.7895 -0.4656 -0.4655 -0.4310 -0.4310 -0.4122 -0.4122 -0.3796 -0.3795 -0.3215 -0.3215 3.1696 3.1696 3.7523 3.7523 k =-0.4263 0.4097 0.5175 ( 9196 PWs) bands (ev): -11.6490 -11.6490 -11.3940 -11.3940 -11.3853 -11.3853 -11.2027 -11.2027 -7.9933 -7.9933 -7.9692 -7.9692 -7.3030 -7.3030 -7.2764 -7.2764 -7.2678 -7.2678 -7.1969 -7.1969 -7.1642 -7.1642 -5.5163 -5.5163 -5.4600 -5.4600 -5.4309 -5.4309 -3.9580 -3.9580 -1.8468 -1.8468 -1.7788 -1.7788 -1.6994 -1.6994 -1.2022 -1.2022 -0.9950 -0.9949 -0.9835 -0.9834 -0.8005 -0.8005 -0.4663 -0.4663 -0.4364 -0.4364 -0.4198 -0.4198 -0.3801 -0.3800 -0.3081 -0.3081 3.1774 3.1774 3.7301 3.7301 k =-0.4330 0.3846 0.5175 ( 9196 PWs) bands (ev): -11.6555 -11.6555 -11.3965 -11.3965 -11.3877 -11.3877 -11.2010 -11.2010 -7.9939 -7.9939 -7.9691 -7.9691 -7.3041 -7.3041 -7.2757 -7.2757 -7.2678 -7.2678 -7.1960 -7.1960 -7.1667 -7.1667 -5.5142 -5.5142 -5.4603 -5.4603 -5.4350 -5.4350 -3.9560 -3.9560 -1.8638 -1.8638 -1.7829 -1.7829 -1.7070 -1.7070 -1.1595 -1.1594 -0.9657 -0.9657 -0.9541 -0.9541 -0.8107 -0.8107 -0.4685 -0.4684 -0.4427 -0.4426 -0.4269 -0.4269 -0.3821 -0.3820 -0.2951 -0.2951 3.1844 3.1844 3.7095 3.7095 k =-0.4397 0.3595 0.5175 ( 9208 PWs) bands (ev): -11.6615 -11.6615 -11.3989 -11.3989 -11.3899 -11.3899 -11.1995 -11.1995 -7.9944 -7.9944 -7.9691 -7.9691 -7.3051 -7.3051 -7.2752 -7.2752 -7.2680 -7.2680 -7.1951 -7.1950 -7.1691 -7.1691 -5.5123 -5.5123 -5.4606 -5.4606 -5.4389 -5.4389 -3.9541 -3.9541 -1.8795 -1.8795 -1.7875 -1.7875 -1.7147 -1.7147 -1.1178 -1.1178 -0.9365 -0.9364 -0.9244 -0.9244 -0.8199 -0.8199 -0.4722 -0.4722 -0.4503 -0.4502 -0.4325 -0.4325 -0.3857 -0.3857 -0.2827 -0.2827 3.1906 3.1906 3.6905 3.6905 k =-0.4464 0.3344 0.5175 ( 9200 PWs) bands (ev): -11.6669 -11.6669 -11.4010 -11.4010 -11.3919 -11.3919 -11.1982 -11.1982 -7.9948 -7.9948 -7.9690 -7.9690 -7.3060 -7.3060 -7.2746 -7.2746 -7.2680 -7.2680 -7.1941 -7.1941 -7.1713 -7.1713 -5.5105 -5.5105 -5.4608 -5.4608 -5.4426 -5.4425 -3.9524 -3.9524 -1.8936 -1.8936 -1.7923 -1.7923 -1.7222 -1.7222 -1.0777 -1.0777 -0.9079 -0.9078 -0.8951 -0.8951 -0.8280 -0.8280 -0.4777 -0.4777 -0.4596 -0.4595 -0.4360 -0.4360 -0.3909 -0.3908 -0.2711 -0.2711 3.1960 3.1960 3.6732 3.6732 k =-0.4531 0.3092 0.5175 ( 9192 PWs) bands (ev): -11.6718 -11.6718 -11.4029 -11.4029 -11.3937 -11.3937 -11.1971 -11.1971 -7.9952 -7.9952 -7.9689 -7.9689 -7.3068 -7.3068 -7.2741 -7.2741 -7.2681 -7.2681 -7.1933 -7.1932 -7.1734 -7.1734 -5.5088 -5.5087 -5.4610 -5.4610 -5.4459 -5.4459 -3.9508 -3.9508 -1.9063 -1.9063 -1.7970 -1.7970 -1.7293 -1.7293 -1.0396 -1.0396 -0.8804 -0.8804 -0.8675 -0.8675 -0.8340 -0.8340 -0.4847 -0.4846 -0.4701 -0.4700 -0.4379 -0.4378 -0.3975 -0.3974 -0.2604 -0.2604 3.2007 3.2007 3.6578 3.6578 k =-0.4598 0.2841 0.5175 ( 9192 PWs) bands (ev): -11.6760 -11.6760 -11.4046 -11.4046 -11.3953 -11.3953 -11.1961 -11.1961 -7.9956 -7.9956 -7.9689 -7.9689 -7.3075 -7.3075 -7.2737 -7.2737 -7.2681 -7.2681 -7.1924 -7.1924 -7.1753 -7.1753 -5.5072 -5.5072 -5.4611 -5.4611 -5.4488 -5.4488 -3.9494 -3.9494 -1.9174 -1.9174 -1.8016 -1.8015 -1.7358 -1.7358 -1.0041 -1.0040 -0.8550 -0.8550 -0.8503 -0.8503 -0.8295 -0.8294 -0.4928 -0.4927 -0.4810 -0.4810 -0.4388 -0.4387 -0.4052 -0.4052 -0.2508 -0.2507 3.2046 3.2046 3.6443 3.6443 k =-0.4665 0.2590 0.5175 ( 9192 PWs) bands (ev): -11.6796 -11.6796 -11.4061 -11.4061 -11.3967 -11.3967 -11.1953 -11.1953 -7.9959 -7.9959 -7.9688 -7.9688 -7.3081 -7.3081 -7.2733 -7.2733 -7.2682 -7.2682 -7.1915 -7.1915 -7.1771 -7.1771 -5.5058 -5.5058 -5.4612 -5.4612 -5.4514 -5.4514 -3.9482 -3.9482 -1.9268 -1.9268 -1.8056 -1.8056 -1.7415 -1.7415 -0.9717 -0.9717 -0.8522 -0.8522 -0.8311 -0.8310 -0.8074 -0.8073 -0.5019 -0.5018 -0.4916 -0.4916 -0.4392 -0.4391 -0.4137 -0.4136 -0.2423 -0.2423 3.2079 3.2079 3.6328 3.6328 k =-0.4732 0.2339 0.5175 ( 9180 PWs) bands (ev): -11.6826 -11.6826 -11.4072 -11.4072 -11.3978 -11.3978 -11.1947 -11.1947 -7.9962 -7.9962 -7.9688 -7.9688 -7.3086 -7.3086 -7.2730 -7.2730 -7.2682 -7.2682 -7.1907 -7.1906 -7.1787 -7.1786 -5.5046 -5.5046 -5.4613 -5.4613 -5.4536 -5.4536 -3.9472 -3.9472 -1.9346 -1.9346 -1.8092 -1.8091 -1.7464 -1.7464 -0.9432 -0.9432 -0.8561 -0.8561 -0.8105 -0.8105 -0.7841 -0.7841 -0.5117 -0.5117 -0.5011 -0.5010 -0.4393 -0.4393 -0.4224 -0.4223 -0.2353 -0.2353 3.2105 3.2105 3.6232 3.6232 k =-0.4799 0.2087 0.5175 ( 9172 PWs) bands (ev): -11.6849 -11.6849 -11.4082 -11.4082 -11.3987 -11.3987 -11.1942 -11.1942 -7.9964 -7.9964 -7.9687 -7.9687 -7.3090 -7.3090 -7.2727 -7.2727 -7.2682 -7.2682 -7.1899 -7.1898 -7.1800 -7.1800 -5.5037 -5.5037 -5.4614 -5.4614 -5.4554 -5.4554 -3.9464 -3.9464 -1.9407 -1.9407 -1.8120 -1.8120 -1.7502 -1.7502 -0.9195 -0.9194 -0.8597 -0.8597 -0.7935 -0.7934 -0.7637 -0.7637 -0.5216 -0.5216 -0.5089 -0.5088 -0.4395 -0.4394 -0.4304 -0.4303 -0.2297 -0.2297 3.2125 3.2125 3.6158 3.6158 k =-0.4866 0.1836 0.5175 ( 9180 PWs) bands (ev): -11.6866 -11.6866 -11.4088 -11.4088 -11.3993 -11.3993 -11.1939 -11.1939 -7.9966 -7.9966 -7.9687 -7.9687 -7.3093 -7.3093 -7.2726 -7.2726 -7.2682 -7.2682 -7.1891 -7.1891 -7.1812 -7.1812 -5.5029 -5.5029 -5.4614 -5.4614 -5.4567 -5.4567 -3.9458 -3.9458 -1.9450 -1.9450 -1.8141 -1.8141 -1.7531 -1.7530 -0.9013 -0.9013 -0.8625 -0.8625 -0.7806 -0.7806 -0.7475 -0.7475 -0.5302 -0.5302 -0.5147 -0.5147 -0.4401 -0.4399 -0.4366 -0.4364 -0.2256 -0.2256 3.2139 3.2139 3.6105 3.6105 k =-0.4933 0.1585 0.5175 ( 9100 PWs) bands (ev): -11.6876 -11.6876 -11.4092 -11.4092 -11.3997 -11.3997 -11.1937 -11.1937 -7.9965 -7.9965 -7.9685 -7.9685 -7.3093 -7.3093 -7.2723 -7.2723 -7.2681 -7.2681 -7.1886 -7.1886 -7.1820 -7.1819 -5.5025 -5.5025 -5.4614 -5.4614 -5.4575 -5.4575 -3.9454 -3.9454 -1.9476 -1.9476 -1.8154 -1.8154 -1.7548 -1.7547 -0.8896 -0.8896 -0.8646 -0.8646 -0.7725 -0.7725 -0.7370 -0.7370 -0.5362 -0.5362 -0.5184 -0.5184 -0.4426 -0.4426 -0.4385 -0.4384 -0.2231 -0.2231 3.2147 3.2147 3.6072 3.6072 k =-0.5000 0.1334 0.5175 ( 9100 PWs) bands (ev): -11.6879 -11.6879 -11.4094 -11.4094 -11.3998 -11.3998 -11.1936 -11.1936 -7.9965 -7.9965 -7.9685 -7.9685 -7.3094 -7.3094 -7.2723 -7.2723 -7.2681 -7.2681 -7.1884 -7.1884 -7.1822 -7.1822 -5.5024 -5.5024 -5.4614 -5.4614 -5.4578 -5.4578 -3.9453 -3.9453 -1.9485 -1.9485 -1.8158 -1.8158 -1.7553 -1.7553 -0.8854 -0.8854 -0.8655 -0.8655 -0.7698 -0.7698 -0.7333 -0.7333 -0.5384 -0.5384 -0.5197 -0.5197 -0.4440 -0.4440 -0.4386 -0.4386 -0.2223 -0.2223 3.2150 3.2150 3.6062 3.6062 k = 0.0000 0.0000 0.5175 ( 9180 PWs) bands (ev): -11.7282 -11.7282 -11.4051 -11.4051 -11.3186 -11.3186 -11.2338 -11.2338 -7.9967 -7.9967 -7.9687 -7.9687 -7.3095 -7.3095 -7.2725 -7.2725 -7.2684 -7.2684 -7.1931 -7.1931 -7.1758 -7.1758 -5.5127 -5.5127 -5.4590 -5.4590 -5.4413 -5.4413 -4.0662 -4.0662 -1.8497 -1.8497 -1.6393 -1.6393 -1.4991 -1.4991 -1.4092 -1.4092 -0.9279 -0.9279 -0.8252 -0.8252 -0.6959 -0.6959 -0.6718 -0.6718 -0.4209 -0.4209 -0.3621 -0.3621 -0.2733 -0.2733 -0.1536 -0.1536 2.7483 2.7483 3.6691 3.6691 k = 0.0068 0.0253 0.5175 ( 9180 PWs) bands (ev): -11.7279 -11.7279 -11.4050 -11.4050 -11.3185 -11.3185 -11.2338 -11.2338 -7.9967 -7.9967 -7.9687 -7.9687 -7.3094 -7.3094 -7.2726 -7.2726 -7.2684 -7.2684 -7.1932 -7.1932 -7.1756 -7.1756 -5.5128 -5.5127 -5.4589 -5.4589 -5.4412 -5.4411 -4.0661 -4.0661 -1.8495 -1.8490 -1.6383 -1.6382 -1.5006 -1.4998 -1.4091 -1.4085 -0.9361 -0.9354 -0.8254 -0.8252 -0.6956 -0.6948 -0.6700 -0.6682 -0.4205 -0.4193 -0.3625 -0.3621 -0.2738 -0.2731 -0.1543 -0.1541 2.7490 2.7494 3.6688 3.6708 k = 0.0135 0.0507 0.5175 ( 9178 PWs) bands (ev): -11.7268 -11.7268 -11.4046 -11.4046 -11.3184 -11.3184 -11.2339 -11.2339 -7.9965 -7.9965 -7.9687 -7.9687 -7.3092 -7.3092 -7.2727 -7.2727 -7.2684 -7.2684 -7.1935 -7.1935 -7.1751 -7.1750 -5.5131 -5.5130 -5.4586 -5.4585 -5.4408 -5.4408 -4.0658 -4.0657 -1.8486 -1.8477 -1.6353 -1.6350 -1.5042 -1.5026 -1.4083 -1.4071 -0.9579 -0.9568 -0.8256 -0.8251 -0.6984 -0.6977 -0.6594 -0.6568 -0.4182 -0.4158 -0.3632 -0.3625 -0.2746 -0.2732 -0.1563 -0.1560 2.7514 2.7521 3.6701 3.6741 k = 0.0203 0.0760 0.5175 ( 9178 PWs) bands (ev): -11.7249 -11.7249 -11.4039 -11.4039 -11.3181 -11.3181 -11.2340 -11.2340 -7.9964 -7.9964 -7.9688 -7.9688 -7.3089 -7.3089 -7.2729 -7.2728 -7.2684 -7.2684 -7.1938 -7.1938 -7.1743 -7.1742 -5.5135 -5.5134 -5.4581 -5.4580 -5.4402 -5.4401 -4.0652 -4.0652 -1.8470 -1.8456 -1.6303 -1.6299 -1.5099 -1.5074 -1.4067 -1.4049 -0.9896 -0.9881 -0.8255 -0.8246 -0.7072 -0.7071 -0.6413 -0.6384 -0.4143 -0.4108 -0.3643 -0.3633 -0.2758 -0.2736 -0.1594 -0.1589 2.7555 2.7565 3.6730 3.6789 k = 0.0270 0.1013 0.5175 ( 9182 PWs) bands (ev): -11.7224 -11.7223 -11.4030 -11.4030 -11.3177 -11.3177 -11.2343 -11.2343 -7.9962 -7.9962 -7.9688 -7.9688 -7.3085 -7.3085 -7.2731 -7.2731 -7.2683 -7.2683 -7.1943 -7.1943 -7.1732 -7.1731 -5.5141 -5.5139 -5.4574 -5.4572 -5.4393 -5.4392 -4.0645 -4.0644 -1.8447 -1.8429 -1.6234 -1.6229 -1.5175 -1.5143 -1.4044 -1.4020 -1.0279 -1.0260 -0.8251 -0.8237 -0.7208 -0.7205 -0.6205 -0.6172 -0.4092 -0.4046 -0.3658 -0.3646 -0.2772 -0.2743 -0.1634 -0.1629 2.7611 2.7625 3.6775 3.6852 k = 0.0338 0.1267 0.5175 ( 9164 PWs) bands (ev): -11.7191 -11.7191 -11.4018 -11.4018 -11.3172 -11.3172 -11.2346 -11.2346 -7.9959 -7.9959 -7.9688 -7.9688 -7.3080 -7.3080 -7.2734 -7.2733 -7.2683 -7.2683 -7.1949 -7.1949 -7.1718 -7.1717 -5.5149 -5.5147 -5.4566 -5.4564 -5.4380 -5.4379 -4.0635 -4.0634 -1.8419 -1.8396 -1.6147 -1.6142 -1.5269 -1.5230 -1.4014 -1.3983 -1.0705 -1.0682 -0.8244 -0.8224 -0.7375 -0.7370 -0.5999 -0.5963 -0.4034 -0.3978 -0.3676 -0.3661 -0.2790 -0.2752 -0.1681 -0.1676 2.7681 2.7698 3.6837 3.6930 k = 0.0405 0.1520 0.5175 ( 9168 PWs) bands (ev): -11.7151 -11.7151 -11.4004 -11.4004 -11.3166 -11.3166 -11.2349 -11.2349 -7.9955 -7.9955 -7.9689 -7.9689 -7.3074 -7.3073 -7.2738 -7.2737 -7.2683 -7.2682 -7.1955 -7.1955 -7.1702 -7.1700 -5.5158 -5.5156 -5.4558 -5.4555 -5.4364 -5.4362 -4.0623 -4.0622 -1.8385 -1.8359 -1.6047 -1.6043 -1.5377 -1.5330 -1.3978 -1.3939 -1.1160 -1.1133 -0.8236 -0.8209 -0.7562 -0.7558 -0.5813 -0.5772 -0.3975 -0.3908 -0.3696 -0.3680 -0.2811 -0.2765 -0.1733 -0.1727 2.7764 2.7784 3.6915 3.7024 k = 0.0473 0.1773 0.5175 ( 9176 PWs) bands (ev): -11.7104 -11.7104 -11.3988 -11.3987 -11.3159 -11.3159 -11.2354 -11.2354 -7.9952 -7.9952 -7.9689 -7.9689 -7.3067 -7.3067 -7.2742 -7.2742 -7.2682 -7.2682 -7.1962 -7.1962 -7.1683 -7.1682 -5.5169 -5.5166 -5.4549 -5.4547 -5.4344 -5.4342 -4.0609 -4.0608 -1.8349 -1.8320 -1.5945 -1.5944 -1.5486 -1.5431 -1.3936 -1.3889 -1.1635 -1.1602 -0.8235 -0.8200 -0.7753 -0.7752 -0.5654 -0.5608 -0.3920 -0.3844 -0.3714 -0.3697 -0.2835 -0.2780 -0.1784 -0.1780 2.7857 2.7879 3.7012 3.7133 k = 0.0541 0.2027 0.5175 ( 9176 PWs) bands (ev): -11.7051 -11.7051 -11.3969 -11.3968 -11.3151 -11.3151 -11.2360 -11.2360 -7.9948 -7.9948 -7.9690 -7.9690 -7.3059 -7.3058 -7.2747 -7.2747 -7.2681 -7.2681 -7.1969 -7.1969 -7.1663 -7.1661 -5.5181 -5.5177 -5.4541 -5.4539 -5.4319 -5.4317 -4.0592 -4.0592 -1.8310 -1.8280 -1.5893 -1.5891 -1.5543 -1.5487 -1.3891 -1.3831 -1.2123 -1.2082 -0.8270 -0.8225 -0.7922 -0.7914 -0.5529 -0.5480 -0.3881 -0.3808 -0.3722 -0.3693 -0.2863 -0.2798 -0.1834 -0.1831 2.7959 2.7982 3.7128 3.7259 k = 0.0608 0.2280 0.5175 ( 9172 PWs) bands (ev): -11.6991 -11.6991 -11.3947 -11.3947 -11.3143 -11.3143 -11.2367 -11.2367 -7.9943 -7.9943 -7.9691 -7.9691 -7.3049 -7.3049 -7.2752 -7.2752 -7.2681 -7.2680 -7.1977 -7.1976 -7.1640 -7.1639 -5.5194 -5.5190 -5.4534 -5.4531 -5.4290 -5.4288 -4.0574 -4.0573 -1.8273 -1.8243 -1.5968 -1.5953 -1.5470 -1.5428 -1.3847 -1.3768 -1.2617 -1.2562 -0.8390 -0.8351 -0.7990 -0.7988 -0.5441 -0.5389 -0.3872 -0.3820 -0.3706 -0.3648 -0.2894 -0.2818 -0.1880 -0.1879 2.8066 2.8091 3.7262 3.7402 k = 0.0676 0.2533 0.5175 ( 9162 PWs) bands (ev): -11.6924 -11.6924 -11.3924 -11.3924 -11.3134 -11.3133 -11.2375 -11.2375 -7.9937 -7.9937 -7.9691 -7.9691 -7.3039 -7.3039 -7.2758 -7.2758 -7.2679 -7.2679 -7.1985 -7.1984 -7.1617 -7.1615 -5.5208 -5.5204 -5.4527 -5.4524 -5.4258 -5.4256 -4.0554 -4.0553 -1.8239 -1.8212 -1.6121 -1.6101 -1.5316 -1.5284 -1.3822 -1.3702 -1.3111 -1.3020 -0.8581 -0.8553 -0.7986 -0.7977 -0.5392 -0.5339 -0.3891 -0.3857 -0.3671 -0.3590 -0.2927 -0.2839 -0.1922 -0.1921 2.8177 2.8203 3.7417 3.7562 k = 0.0743 0.2787 0.5175 ( 9172 PWs) bands (ev): -11.6852 -11.6852 -11.3899 -11.3899 -11.3124 -11.3124 -11.2385 -11.2385 -7.9932 -7.9932 -7.9692 -7.9692 -7.3028 -7.3028 -7.2765 -7.2765 -7.2679 -7.2678 -7.1993 -7.1992 -7.1591 -7.1590 -5.5223 -5.5218 -5.4520 -5.4517 -5.4222 -5.4220 -4.0531 -4.0530 -1.8212 -1.8192 -1.6302 -1.6287 -1.5128 -1.5103 -1.3900 -1.3705 -1.3527 -1.3369 -0.8793 -0.8772 -0.7950 -0.7935 -0.5379 -0.5327 -0.3925 -0.3904 -0.3632 -0.3532 -0.2963 -0.2862 -0.1960 -0.1957 2.8289 2.8315 3.7592 3.7739 k = 0.0811 0.3040 0.5175 ( 9160 PWs) bands (ev): -11.6774 -11.6774 -11.3872 -11.3872 -11.3114 -11.3113 -11.2396 -11.2396 -7.9926 -7.9926 -7.9693 -7.9693 -7.3016 -7.3016 -7.2771 -7.2771 -7.2678 -7.2677 -7.2001 -7.2000 -7.1565 -7.1563 -5.5239 -5.5234 -5.4514 -5.4511 -5.4183 -5.4181 -4.0507 -4.0506 -1.8197 -1.8188 -1.6494 -1.6492 -1.4924 -1.4911 -1.4224 -1.4118 -1.3512 -1.3459 -0.9002 -0.8989 -0.7899 -0.7880 -0.5401 -0.5351 -0.3968 -0.3957 -0.3598 -0.3483 -0.2997 -0.2882 -0.1995 -0.1990 2.8400 2.8426 3.7788 3.7934 k = 0.0878 0.3293 0.5175 ( 9172 PWs) bands (ev): -11.6690 -11.6690 -11.3843 -11.3843 -11.3103 -11.3103 -11.2409 -11.2409 -7.9921 -7.9921 -7.9694 -7.9694 -7.3004 -7.3003 -7.2779 -7.2779 -7.2677 -7.2677 -7.2010 -7.2008 -7.1537 -7.1535 -5.5256 -5.5251 -5.4508 -5.4504 -5.4142 -5.4139 -4.0480 -4.0479 -1.8208 -1.8198 -1.6710 -1.6688 -1.4817 -1.4786 -1.4585 -1.4475 -1.3427 -1.3419 -0.9198 -0.9191 -0.7836 -0.7815 -0.5453 -0.5406 -0.4016 -0.4013 -0.3575 -0.3448 -0.3025 -0.2900 -0.2029 -0.2023 2.8507 2.8533 3.8004 3.8147 k = 0.0946 0.3547 0.5175 ( 9176 PWs) bands (ev): -11.6601 -11.6601 -11.3813 -11.3813 -11.3092 -11.3092 -11.2424 -11.2424 -7.9914 -7.9914 -7.9696 -7.9695 -7.2990 -7.2990 -7.2787 -7.2786 -7.2676 -7.2676 -7.2019 -7.2017 -7.1508 -7.1507 -5.5274 -5.5268 -5.4502 -5.4498 -5.4098 -5.4096 -4.0452 -4.0451 -1.8260 -1.8221 -1.6933 -1.6875 -1.5175 -1.5171 -1.4428 -1.4368 -1.3345 -1.3333 -0.9372 -0.9372 -0.7766 -0.7742 -0.5530 -0.5486 -0.4074 -0.4069 -0.3567 -0.3435 -0.3042 -0.2911 -0.2065 -0.2059 2.8610 2.8634 3.8239 3.8375 k = 0.1014 0.3800 0.5175 ( 9176 PWs) bands (ev): -11.6508 -11.6508 -11.3781 -11.3781 -11.3081 -11.3081 -11.2441 -11.2441 -7.9908 -7.9908 -7.9697 -7.9696 -7.2977 -7.2976 -7.2794 -7.2794 -7.2675 -7.2675 -7.2027 -7.2025 -7.1478 -7.1477 -5.5292 -5.5286 -5.4496 -5.4492 -5.4053 -5.4051 -4.0422 -4.0421 -1.8352 -1.8274 -1.7156 -1.7050 -1.5639 -1.5627 -1.4186 -1.4136 -1.3255 -1.3231 -0.9524 -0.9516 -0.7689 -0.7664 -0.5626 -0.5584 -0.4137 -0.4127 -0.3577 -0.3449 -0.3042 -0.2913 -0.2106 -0.2101 2.8706 2.8728 3.8492 3.8618 k = 0.1081 0.4053 0.5175 ( 9184 PWs) bands (ev): -11.6409 -11.6409 -11.3748 -11.3748 -11.3071 -11.3070 -11.2460 -11.2460 -7.9902 -7.9902 -7.9698 -7.9698 -7.2963 -7.2963 -7.2802 -7.2802 -7.2674 -7.2674 -7.2037 -7.2034 -7.1448 -7.1447 -5.5311 -5.5304 -5.4489 -5.4486 -5.4006 -5.4004 -4.0390 -4.0389 -1.8488 -1.8365 -1.7373 -1.7209 -1.6099 -1.6081 -1.3932 -1.3886 -1.3156 -1.3123 -0.9640 -0.9625 -0.7607 -0.7581 -0.5737 -0.5697 -0.4203 -0.4189 -0.3606 -0.3489 -0.3025 -0.2907 -0.2155 -0.2153 2.8795 2.8814 3.8757 3.8869 k = 0.1149 0.4307 0.5175 ( 9176 PWs) bands (ev): -11.6307 -11.6307 -11.3714 -11.3714 -11.3060 -11.3060 -11.2482 -11.2482 -7.9896 -7.9896 -7.9699 -7.9699 -7.2948 -7.2948 -7.2810 -7.2810 -7.2673 -7.2673 -7.2046 -7.2043 -7.1417 -7.1416 -5.5330 -5.5323 -5.4483 -5.4480 -5.3959 -5.3957 -4.0356 -4.0355 -1.8666 -1.8499 -1.7580 -1.7355 -1.6548 -1.6520 -1.3675 -1.3629 -1.3048 -1.3009 -0.9714 -0.9691 -0.7520 -0.7493 -0.5856 -0.5817 -0.4271 -0.4257 -0.3653 -0.3550 -0.2999 -0.2893 -0.2215 -0.2214 2.8875 2.8892 3.9022 3.9119 k = 0.1216 0.4560 0.5175 ( 9166 PWs) bands (ev): -11.6201 -11.6201 -11.3679 -11.3679 -11.3050 -11.3049 -11.2507 -11.2507 -7.9889 -7.9889 -7.9700 -7.9700 -7.2933 -7.2933 -7.2818 -7.2818 -7.2672 -7.2672 -7.2055 -7.2052 -7.1386 -7.1385 -5.5349 -5.5342 -5.4477 -5.4474 -5.3911 -5.3909 -4.0321 -4.0320 -1.8880 -1.8678 -1.7778 -1.7496 -1.6979 -1.6937 -1.3418 -1.3372 -1.2931 -1.2888 -0.9742 -0.9712 -0.7431 -0.7404 -0.5979 -0.5941 -0.4342 -0.4328 -0.3715 -0.3626 -0.2968 -0.2875 -0.2289 -0.2283 2.8946 2.8960 3.9257 3.9334 k = 0.1284 0.4813 0.5175 ( 9158 PWs) bands (ev): -11.6092 -11.6092 -11.3644 -11.3644 -11.3040 -11.3040 -11.2534 -11.2534 -7.9883 -7.9883 -7.9701 -7.9701 -7.2918 -7.2918 -7.2826 -7.2826 -7.2671 -7.2670 -7.2064 -7.2061 -7.1355 -7.1354 -5.5369 -5.5361 -5.4470 -5.4468 -5.3863 -5.3862 -4.0285 -4.0284 -1.9120 -1.8896 -1.7975 -1.7648 -1.7384 -1.7325 -1.3168 -1.3120 -1.2801 -1.2756 -0.9721 -0.9684 -0.7341 -0.7313 -0.6101 -0.6064 -0.4416 -0.4405 -0.3790 -0.3713 -0.2938 -0.2854 -0.2375 -0.2364 2.9009 2.9019 3.9350 3.9401 k = 0.1351 0.5067 0.5175 ( 9158 PWs) bands (ev): -11.5980 -11.5980 -11.3608 -11.3608 -11.3031 -11.3031 -11.2564 -11.2564 -7.9877 -7.9877 -7.9702 -7.9702 -7.2903 -7.2903 -7.2834 -7.2834 -7.2670 -7.2669 -7.2073 -7.2070 -7.1324 -7.1323 -5.5388 -5.5381 -5.4464 -5.4461 -5.3816 -5.3814 -4.0248 -4.0247 -1.9378 -1.9143 -1.8185 -1.7870 -1.7706 -1.7676 -1.2939 -1.2884 -1.2649 -1.2606 -0.9650 -0.9606 -0.7252 -0.7223 -0.6220 -0.6182 -0.4492 -0.4485 -0.3876 -0.3808 -0.2912 -0.2835 -0.2473 -0.2455 2.9062 2.9069 3.8972 3.8990 k = 0.1419 0.5320 0.5175 ( 9162 PWs) bands (ev): -11.5866 -11.5865 -11.3572 -11.3571 -11.3023 -11.3022 -11.2597 -11.2597 -7.9871 -7.9871 -7.9704 -7.9703 -7.2888 -7.2887 -7.2842 -7.2842 -7.2669 -7.2668 -7.2083 -7.2079 -7.1293 -7.1293 -5.5407 -5.5400 -5.4457 -5.4454 -5.3770 -5.3768 -4.0209 -4.0208 -1.9648 -1.9410 -1.8419 -1.8210 -1.7982 -1.7899 -1.2744 -1.2682 -1.2461 -1.2423 -0.9530 -0.9479 -0.7166 -0.7136 -0.6331 -0.6293 -0.4570 -0.4570 -0.3970 -0.3909 -0.2896 -0.2821 -0.2579 -0.2554 2.9107 2.9110 3.8025 3.8028 k = 0.1486 0.5574 0.5175 ( 9154 PWs) bands (ev): -11.5749 -11.5749 -11.3535 -11.3535 -11.3015 -11.3015 -11.2633 -11.2633 -7.9865 -7.9865 -7.9705 -7.9704 -7.2873 -7.2872 -7.2850 -7.2850 -7.2667 -7.2667 -7.2092 -7.2088 -7.1263 -7.1263 -5.5426 -5.5418 -5.4450 -5.4448 -5.3724 -5.3723 -4.0170 -4.0169 -1.9923 -1.9690 -1.8675 -1.8559 -1.8247 -1.8072 -1.2584 -1.2517 -1.2239 -1.2204 -0.9364 -0.9308 -0.7085 -0.7055 -0.6431 -0.6392 -0.4658 -0.4650 -0.4071 -0.4014 -0.2904 -0.2827 -0.2677 -0.2646 2.9143 2.9144 3.6874 3.6884 k = 0.1554 0.5827 0.5175 ( 9158 PWs) bands (ev): -11.5632 -11.5632 -11.3499 -11.3499 -11.3009 -11.3009 -11.2672 -11.2672 -7.9860 -7.9860 -7.9706 -7.9705 -7.2859 -7.2858 -7.2857 -7.2857 -7.2666 -7.2666 -7.2100 -7.2096 -7.1234 -7.1233 -5.5445 -5.5437 -5.4444 -5.4441 -5.3681 -5.3679 -4.0131 -4.0130 -2.0200 -1.9975 -1.8941 -1.8890 -1.8484 -1.8250 -1.2444 -1.2375 -1.1999 -1.1963 -0.9160 -0.9097 -0.7014 -0.6983 -0.6517 -0.6477 -0.4749 -0.4731 -0.4177 -0.4122 -0.2967 -0.2887 -0.2736 -0.2699 2.9170 2.9174 3.5700 3.5714 k = 0.1622 0.6080 0.5175 ( 9158 PWs) bands (ev): -11.5513 -11.5513 -11.3463 -11.3462 -11.3004 -11.3004 -11.2715 -11.2714 -7.9855 -7.9855 -7.9707 -7.9706 -7.2865 -7.2865 -7.2844 -7.2844 -7.2665 -7.2665 -7.2109 -7.2104 -7.1205 -7.1205 -5.5463 -5.5455 -5.4437 -5.4435 -5.3639 -5.3638 -4.0092 -4.0091 -2.0473 -2.0259 -1.9200 -1.9199 -1.8707 -1.8433 -1.2313 -1.2244 -1.1749 -1.1712 -0.8923 -0.8854 -0.6958 -0.6926 -0.6585 -0.6544 -0.4842 -0.4814 -0.4284 -0.4229 -0.3089 -0.3001 -0.2751 -0.2708 2.9190 2.9197 3.4550 3.4566 k = 0.1689 0.6334 0.5175 ( 9146 PWs) bands (ev): -11.5395 -11.5395 -11.3427 -11.3427 -11.3001 -11.3000 -11.2760 -11.2760 -7.9849 -7.9849 -7.9708 -7.9707 -7.2872 -7.2871 -7.2831 -7.2830 -7.2664 -7.2664 -7.2117 -7.2112 -7.1178 -7.1178 -5.5480 -5.5472 -5.4431 -5.4428 -5.3599 -5.3598 -4.0054 -4.0053 -2.0739 -2.0538 -1.9485 -1.9444 -1.8924 -1.8619 -1.2188 -1.2119 -1.1494 -1.1456 -0.8662 -0.8586 -0.6922 -0.6888 -0.6632 -0.6589 -0.4937 -0.4897 -0.4392 -0.4332 -0.3241 -0.3137 -0.2752 -0.2706 2.9204 2.9215 3.3444 3.3462 k = 0.1757 0.6587 0.5175 ( 9142 PWs) bands (ev): -11.5277 -11.5277 -11.3392 -11.3392 -11.2999 -11.2999 -11.2808 -11.2807 -7.9845 -7.9845 -7.9709 -7.9708 -7.2879 -7.2878 -7.2817 -7.2817 -7.2664 -7.2663 -7.2125 -7.2120 -7.1152 -7.1152 -5.5496 -5.5488 -5.4424 -5.4422 -5.3561 -5.3561 -4.0016 -4.0015 -2.0995 -2.0807 -1.9748 -1.9670 -1.9135 -1.8805 -1.2068 -1.2000 -1.1236 -1.1197 -0.8388 -0.8302 -0.6910 -0.6871 -0.6657 -0.6612 -0.5032 -0.4979 -0.4497 -0.4430 -0.3406 -0.3283 -0.2752 -0.2703 2.9214 2.9228 3.2392 3.2413 k = 0.1824 0.6840 0.5175 ( 9146 PWs) bands (ev): -11.5160 -11.5160 -11.3358 -11.3358 -11.3000 -11.2999 -11.2857 -11.2857 -7.9841 -7.9841 -7.9710 -7.9709 -7.2885 -7.2884 -7.2805 -7.2805 -7.2663 -7.2662 -7.2133 -7.2127 -7.1128 -7.1128 -5.5512 -5.5503 -5.4418 -5.4416 -5.3526 -5.3526 -3.9979 -3.9978 -2.1237 -2.1061 -1.9988 -1.9875 -1.9341 -1.8987 -1.1952 -1.1886 -1.0974 -1.0934 -0.8110 -0.8011 -0.6917 -0.6869 -0.6667 -0.6620 -0.5126 -0.5060 -0.4596 -0.4517 -0.3580 -0.3433 -0.2754 -0.2702 2.9219 2.9237 3.1403 3.1426 k = 0.1892 0.7094 0.5175 ( 9126 PWs) bands (ev): -11.5045 -11.5045 -11.3325 -11.3325 -11.3004 -11.3004 -11.2907 -11.2907 -7.9836 -7.9836 -7.9710 -7.9710 -7.2891 -7.2890 -7.2793 -7.2793 -7.2662 -7.2661 -7.2140 -7.2134 -7.1105 -7.1105 -5.5526 -5.5518 -5.4412 -5.4410 -5.3494 -5.3494 -3.9944 -3.9943 -2.1464 -2.1299 -2.0205 -2.0058 -1.9539 -1.9163 -1.1842 -1.1779 -1.0709 -1.0667 -0.7844 -0.7722 -0.6935 -0.6867 -0.6674 -0.6624 -0.5218 -0.5138 -0.4686 -0.4590 -0.3757 -0.3582 -0.2759 -0.2704 2.9219 2.9242 3.0484 3.0512 k = 0.1959 0.7347 0.5175 ( 9144 PWs) bands (ev): -11.4933 -11.4933 -11.3294 -11.3293 -11.3018 -11.3018 -11.2952 -11.2951 -7.9833 -7.9833 -7.9712 -7.9711 -7.2897 -7.2895 -7.2783 -7.2782 -7.2661 -7.2661 -7.2146 -7.2140 -7.1084 -7.1084 -5.5539 -5.5531 -5.4407 -5.4405 -5.3465 -5.3465 -3.9911 -3.9910 -2.1673 -2.1517 -2.0400 -2.0220 -1.9727 -1.9329 -1.1739 -1.1678 -1.0442 -1.0398 -0.7614 -0.7452 -0.6955 -0.6852 -0.6681 -0.6628 -0.5307 -0.5211 -0.4764 -0.4648 -0.3936 -0.3728 -0.2769 -0.2710 2.9202 2.9240 2.9645 2.9687 k = 0.2027 0.7600 0.5175 ( 9144 PWs) bands (ev): -11.4826 -11.4826 -11.3264 -11.3264 -11.3051 -11.3050 -11.2980 -11.2979 -7.9830 -7.9830 -7.9712 -7.9712 -7.2901 -7.2900 -7.2773 -7.2773 -7.2661 -7.2660 -7.2152 -7.2146 -7.1066 -7.1066 -5.5551 -5.5542 -5.4402 -5.4400 -5.3439 -5.3439 -3.9880 -3.9880 -2.1861 -2.1714 -2.0571 -2.0359 -1.9903 -1.9482 -1.1643 -1.1586 -1.0174 -1.0128 -0.7455 -0.7248 -0.6949 -0.6806 -0.6680 -0.6621 -0.5394 -0.5279 -0.4827 -0.4688 -0.4111 -0.3868 -0.2783 -0.2720 2.8858 2.8864 2.9259 2.9268 k = 0.2095 0.7854 0.5175 ( 9134 PWs) bands (ev): -11.4723 -11.4723 -11.3238 -11.3237 -11.3098 -11.3097 -11.2994 -11.2993 -7.9827 -7.9827 -7.9713 -7.9712 -7.2906 -7.2904 -7.2764 -7.2764 -7.2660 -7.2659 -7.2157 -7.2151 -7.1049 -7.1049 -5.5561 -5.5553 -5.4397 -5.4396 -5.3417 -5.3417 -3.9853 -3.9852 -2.2027 -2.1887 -2.0719 -2.0476 -2.0065 -1.9619 -1.1556 -1.1503 -0.9905 -0.9857 -0.7403 -0.7220 -0.6837 -0.6742 -0.6648 -0.6565 -0.5478 -0.5341 -0.4875 -0.4711 -0.4278 -0.3996 -0.2801 -0.2732 2.8193 2.8205 2.9245 2.9254 k = 0.2162 0.8107 0.5175 ( 9138 PWs) bands (ev): -11.4628 -11.4628 -11.3220 -11.3220 -11.3142 -11.3140 -11.3005 -11.3003 -7.9825 -7.9825 -7.9714 -7.9713 -7.2909 -7.2908 -7.2757 -7.2757 -7.2660 -7.2659 -7.2162 -7.2155 -7.1035 -7.1035 -5.5570 -5.5562 -5.4393 -5.4392 -5.3397 -5.3397 -3.9829 -3.9828 -2.2170 -2.2036 -2.0844 -2.0570 -2.0210 -1.9740 -1.1479 -1.1430 -0.9638 -0.9586 -0.7448 -0.7315 -0.6729 -0.6696 -0.6536 -0.6440 -0.5557 -0.5397 -0.4907 -0.4721 -0.4433 -0.4112 -0.2821 -0.2746 2.7610 2.7626 2.9239 2.9253 k = 0.2230 0.8360 0.5175 ( 9148 PWs) bands (ev): -11.4543 -11.4543 -11.3232 -11.3231 -11.3156 -11.3154 -11.3016 -11.3014 -7.9823 -7.9823 -7.9714 -7.9714 -7.2913 -7.2911 -7.2751 -7.2751 -7.2659 -7.2659 -7.2165 -7.2159 -7.1023 -7.1023 -5.5578 -5.5569 -5.4390 -5.4389 -5.3381 -5.3381 -3.9809 -3.9808 -2.2289 -2.2159 -2.0947 -2.0642 -2.0337 -1.9841 -1.1414 -1.1368 -0.9373 -0.9317 -0.7559 -0.7461 -0.6674 -0.6657 -0.6374 -0.6299 -0.5626 -0.5446 -0.4926 -0.4724 -0.4566 -0.4212 -0.2842 -0.2762 2.7124 2.7142 2.9235 2.9252 k = 0.2297 0.8614 0.5175 ( 9148 PWs) bands (ev): -11.4470 -11.4470 -11.3269 -11.3269 -11.3142 -11.3140 -11.3028 -11.3026 -7.9822 -7.9822 -7.9714 -7.9714 -7.2915 -7.2913 -7.2747 -7.2746 -7.2659 -7.2658 -7.2168 -7.2162 -7.1014 -7.1014 -5.5584 -5.5575 -5.4388 -5.4386 -5.3369 -5.3369 -3.9793 -3.9792 -2.2382 -2.2256 -2.1027 -2.0691 -2.0444 -1.9921 -1.1362 -1.1320 -0.9114 -0.9051 -0.7712 -0.7638 -0.6632 -0.6614 -0.6228 -0.6189 -0.5675 -0.5487 -0.4935 -0.4749 -0.4647 -0.4294 -0.2863 -0.2776 2.6740 2.6760 2.9233 2.9251 k = 0.2365 0.8867 0.5175 ( 9142 PWs) bands (ev): -11.4413 -11.4413 -11.3305 -11.3304 -11.3123 -11.3120 -11.3041 -11.3038 -7.9821 -7.9820 -7.9715 -7.9714 -7.2917 -7.2915 -7.2743 -7.2743 -7.2659 -7.2658 -7.2171 -7.2164 -7.1008 -7.1007 -5.5588 -5.5579 -5.4386 -5.4384 -5.3360 -5.3360 -3.9781 -3.9780 -2.2449 -2.2325 -2.1084 -2.0720 -2.0527 -1.9979 -1.1324 -1.1284 -0.8864 -0.8791 -0.7892 -0.7838 -0.6596 -0.6571 -0.6130 -0.6118 -0.5694 -0.5520 -0.4937 -0.4815 -0.4657 -0.4355 -0.2880 -0.2788 2.6463 2.6484 2.9231 2.9250 k = 0.2432 0.9120 0.5175 ( 9146 PWs) bands (ev): -11.4377 -11.4377 -11.3329 -11.3328 -11.3107 -11.3103 -11.3054 -11.3050 -7.9820 -7.9820 -7.9715 -7.9714 -7.2918 -7.2916 -7.2741 -7.2741 -7.2659 -7.2658 -7.2172 -7.2165 -7.1004 -7.1003 -5.5591 -5.5582 -5.4385 -5.4383 -5.3355 -5.3354 -3.9774 -3.9773 -2.2489 -2.2367 -2.1118 -2.0733 -2.0583 -2.0014 -1.1301 -1.1262 -0.8636 -0.8539 -0.8080 -0.8056 -0.6570 -0.6536 -0.6115 -0.6051 -0.5691 -0.5541 -0.4936 -0.4867 -0.4651 -0.4393 -0.2892 -0.2797 2.6296 2.6317 2.9230 2.9250 k = 0.2500 0.9374 0.5175 ( 9152 PWs) bands (ev): -11.4365 -11.4365 -11.3337 -11.3337 -11.3099 -11.3092 -11.3063 -11.3057 -7.9820 -7.9820 -7.9715 -7.9714 -7.2918 -7.2916 -7.2741 -7.2740 -7.2659 -7.2658 -7.2172 -7.2166 -7.1002 -7.1002 -5.5591 -5.5583 -5.4384 -5.4383 -5.3353 -5.3353 -3.9771 -3.9771 -2.2503 -2.2381 -2.1129 -2.0735 -2.0603 -2.0026 -1.1293 -1.1255 -0.8507 -0.8340 -0.8243 -0.8197 -0.6561 -0.6522 -0.6116 -0.6028 -0.5686 -0.5549 -0.4934 -0.4886 -0.4647 -0.4406 -0.2896 -0.2800 2.6240 2.6261 2.9230 2.9249 Writing output data file CdHgS4.save init_run : 2.66s CPU 1.80s WALL ( 1 calls) electrons : 455.43s CPU 372.18s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.30s CPU 0.30s WALL ( 1 calls) Called by electrons: c_bands : 455.42s CPU 372.17s WALL ( 1 calls) v_of_rho : 0.11s CPU 0.06s WALL ( 1 calls) v_h : 0.02s CPU 0.01s WALL ( 1 calls) v_xc : 0.10s CPU 0.05s WALL ( 1 calls) newd : 0.80s CPU 0.46s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.31s CPU 0.40s WALL ( 238 calls) cegterg : 396.80s CPU 338.89s WALL ( 365 calls) Called by sum_band: Called by *egterg: h_psi : 294.59s CPU 223.36s WALL ( 6598 calls) s_psi : 11.60s CPU 9.46s WALL ( 6598 calls) g_psi : 0.31s CPU 0.29s WALL ( 5995 calls) cdiaghg : 105.04s CPU 99.57s WALL ( 6233 calls) cegterg:over : 14.59s CPU 13.70s WALL ( 5995 calls) cegterg:upda : 9.28s CPU 8.90s WALL ( 5995 calls) cegterg:last : 5.70s CPU 5.84s WALL ( 1302 calls) cdiaghg:chol : 4.12s CPU 4.09s WALL ( 6233 calls) cdiaghg:inve : 2.13s CPU 2.09s WALL ( 6233 calls) cdiaghg:para : 6.62s CPU 6.25s WALL ( 12466 calls) Called by h_psi: h_psi:vloc : 267.06s CPU 200.36s WALL ( 6598 calls) h_psi:vnl : 27.22s CPU 22.71s WALL ( 6598 calls) add_vuspsi : 15.32s CPU 12.18s WALL ( 6598 calls) General routines calbec : 11.84s CPU 10.50s WALL ( 6598 calls) fft : 0.14s CPU 0.09s WALL ( 19 calls) ffts : 0.06s CPU 0.03s WALL ( 4 calls) fftw : 244.48s CPU 180.71s WALL ( 848672 calls) interpolate : 0.08s CPU 0.05s WALL ( 4 calls) davcio : 0.33s CPU 0.75s WALL ( 476 calls) Parallel routines fft_scatter : 137.14s CPU 115.22s WALL ( 848695 calls) PWSCF : 8m17.09s CPU 7m10.49s WALL This run was terminated on: 21:56:13 21Mar2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=