Program PWSCF v.5.1.1 starts on 7Oct2015 at 16: 8: 2 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./KZnAs.save/ file K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 25 16 5 869 448 73 Max 26 17 6 874 463 79 Sum 1237 793 241 41823 21797 3587 bravais-lattice index = 14 lattice parameter (alat) = 7.9917 a.u. unit-cell volume = 534.8327 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 3 number of electrons = 26.00 number of Kohn-Sham states= 34 kinetic-energy cutoff = 45.0000 Ry charge density cutoff = 278.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.991651 celldm(2)= 1.000000 celldm(3)= 1.209979 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 1.209979 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.826461 ) PseudoPot. # 1 for As read from file: /home/autes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1209 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for K read from file: /home/autes/Pseudo/K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3dd1b7807415f540a701f2a402ca1bb0 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1165 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 Zn read from file: /home/autes/Pseudo/Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 8d14e5a70806ad8c3d477ea097862760 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 1201 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 As 5.00 74.92160 As( 1.00) K 9.00 39.09830 K( 1.00) Zn 12.00 65.40900 Zn( 1.00) 12 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,1,0] cryst. s( 2) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 5) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [2,1,0] cryst. s( 6) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 7) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 7) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 60 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 9) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s(10) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3h (-62m) there are 9 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3C2' s_h 2S3 -2S3 3s_v -3C2' -s_h' -3s_v G_7 2.00 -2.00 1.00 -1.00 0.00 0.00 1.73 -1.73 0.00 G_8 2.00 -2.00 1.00 -1.00 0.00 0.00 -1.73 1.73 0.00 G_9 2.00 -2.00 -2.00 2.00 0.00 0.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 3C2'-3C2' 2 -6 -5 -2 5 6 2C3 3 4 3s_v-3s_v 7 -7 3s_v-3s_v 8 -8 11 -12 -11 12 2S3 9 10 -E -1 -2C3 -3 -4 -2S3 -9 -10 Cartesian axes number of k points= 338 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 2) = ( 0.0116279 0.0067134 -0.0000000), wk = 0.0029586 k( 3) = ( 0.0232558 0.0134267 -0.0000000), wk = 0.0029586 k( 4) = ( 0.0348837 0.0201401 -0.0000000), wk = 0.0029586 k( 5) = ( 0.0465116 0.0268535 -0.0000000), wk = 0.0029586 k( 6) = ( 0.0581395 0.0335669 -0.0000000), wk = 0.0029586 k( 7) = ( 0.0697674 0.0402803 -0.0000000), wk = 0.0029586 k( 8) = ( 0.0813954 0.0469936 -0.0000000), wk = 0.0029586 k( 9) = ( 0.0930233 0.0537070 -0.0000000), wk = 0.0029586 k( 10) = ( 0.1046512 0.0604204 -0.0000000), wk = 0.0029586 k( 11) = ( 0.1162791 0.0671338 -0.0000000), wk = 0.0029586 k( 12) = ( 0.1279070 0.0738471 -0.0000000), wk = 0.0029586 k( 13) = ( 0.1395349 0.0805605 -0.0000000), wk = 0.0029586 k( 14) = ( 0.1511628 0.0872739 -0.0000000), wk = 0.0029586 k( 15) = ( 0.1627907 0.0939873 -0.0000000), wk = 0.0029586 k( 16) = ( 0.1744186 0.1007006 -0.0000000), wk = 0.0029586 k( 17) = ( 0.1860465 0.1074140 -0.0000000), wk = 0.0029586 k( 18) = ( 0.1976744 0.1141274 -0.0000000), wk = 0.0029586 k( 19) = ( 0.2093023 0.1208408 -0.0000000), wk = 0.0029586 k( 20) = ( 0.2209302 0.1275541 -0.0000000), wk = 0.0029586 k( 21) = ( 0.2325581 0.1342675 -0.0000000), wk = 0.0029586 k( 22) = ( 0.2441860 0.1409809 -0.0000000), wk = 0.0029586 k( 23) = ( 0.2558140 0.1476943 -0.0000000), wk = 0.0029586 k( 24) = ( 0.2674419 0.1544076 -0.0000000), wk = 0.0029586 k( 25) = ( 0.2790698 0.1611210 -0.0000000), wk = 0.0029586 k( 26) = ( 0.2906977 0.1678344 -0.0000000), wk = 0.0029586 k( 27) = ( 0.3023256 0.1745478 -0.0000000), wk = 0.0029586 k( 28) = ( 0.3139535 0.1812611 -0.0000000), wk = 0.0029586 k( 29) = ( 0.3255814 0.1879745 -0.0000000), wk = 0.0029586 k( 30) = ( 0.3372093 0.1946879 -0.0000000), wk = 0.0029586 k( 31) = ( 0.3488372 0.2014013 -0.0000000), wk = 0.0029586 k( 32) = ( 0.3604651 0.2081146 -0.0000000), wk = 0.0029586 k( 33) = ( 0.3720930 0.2148280 -0.0000000), wk = 0.0029586 k( 34) = ( 0.3837209 0.2215414 -0.0000000), wk = 0.0029586 k( 35) = ( 0.3953488 0.2282548 -0.0000000), wk = 0.0029586 k( 36) = ( 0.4069767 0.2349681 -0.0000000), wk = 0.0029586 k( 37) = ( 0.4186047 0.2416815 -0.0000000), wk = 0.0029586 k( 38) = ( 0.4302326 0.2483949 -0.0000000), wk = 0.0029586 k( 39) = ( 0.4418605 0.2551083 -0.0000000), wk = 0.0029586 k( 40) = ( 0.4534884 0.2618216 -0.0000000), wk = 0.0029586 k( 41) = ( 0.4651163 0.2685350 -0.0000000), wk = 0.0029586 k( 42) = ( 0.4767442 0.2752484 -0.0000000), wk = 0.0029586 k( 43) = ( 0.4883721 0.2819618 -0.0000000), wk = 0.0029586 k( 44) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0029586 k( 45) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0029586 k( 46) = ( 0.4933333 0.3002221 -0.0000000), wk = 0.0029586 k( 47) = ( 0.4866667 0.3117692 -0.0000000), wk = 0.0029586 k( 48) = ( 0.4800000 0.3233162 -0.0000000), wk = 0.0029586 k( 49) = ( 0.4733333 0.3348632 -0.0000000), wk = 0.0029586 k( 50) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0029586 k( 51) = ( 0.4600000 0.3579572 -0.0000000), wk = 0.0029586 k( 52) = ( 0.4533333 0.3695042 -0.0000000), wk = 0.0029586 k( 53) = ( 0.4466667 0.3810512 -0.0000000), wk = 0.0029586 k( 54) = ( 0.4400000 0.3925982 -0.0000000), wk = 0.0029586 k( 55) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0029586 k( 56) = ( 0.4266667 0.4156922 -0.0000000), wk = 0.0029586 k( 57) = ( 0.4200000 0.4272392 -0.0000000), wk = 0.0029586 k( 58) = ( 0.4133333 0.4387862 -0.0000000), wk = 0.0029586 k( 59) = ( 0.4066667 0.4503332 -0.0000000), wk = 0.0029586 k( 60) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0029586 k( 61) = ( 0.3933333 0.4734272 -0.0000000), wk = 0.0029586 k( 62) = ( 0.3866667 0.4849742 -0.0000000), wk = 0.0029586 k( 63) = ( 0.3800000 0.4965212 -0.0000000), wk = 0.0029586 k( 64) = ( 0.3733333 0.5080682 -0.0000000), wk = 0.0029586 k( 65) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0029586 k( 66) = ( 0.3600000 0.5311622 -0.0000000), wk = 0.0029586 k( 67) = ( 0.3533333 0.5427092 -0.0000000), wk = 0.0029586 k( 68) = ( 0.3466667 0.5542563 -0.0000000), wk = 0.0029586 k( 69) = ( 0.3400000 0.5658033 -0.0000000), wk = 0.0029586 k( 70) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0029586 k( 71) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0029586 k( 72) = ( 0.3266667 0.5658033 -0.0000000), wk = 0.0029586 k( 73) = ( 0.3200000 0.5542563 -0.0000000), wk = 0.0029586 k( 74) = ( 0.3133333 0.5427092 -0.0000000), wk = 0.0029586 k( 75) = ( 0.3066667 0.5311623 -0.0000000), wk = 0.0029586 k( 76) = ( 0.3000000 0.5196152 -0.0000000), wk = 0.0029586 k( 77) = ( 0.2933333 0.5080682 -0.0000000), wk = 0.0029586 k( 78) = ( 0.2866667 0.4965212 -0.0000000), wk = 0.0029586 k( 79) = ( 0.2800000 0.4849742 -0.0000000), wk = 0.0029586 k( 80) = ( 0.2733333 0.4734272 -0.0000000), wk = 0.0029586 k( 81) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0029586 k( 82) = ( 0.2600000 0.4503332 -0.0000000), wk = 0.0029586 k( 83) = ( 0.2533333 0.4387862 -0.0000000), wk = 0.0029586 k( 84) = ( 0.2466667 0.4272392 -0.0000000), wk = 0.0029586 k( 85) = ( 0.2400000 0.4156922 -0.0000000), wk = 0.0029586 k( 86) = ( 0.2333333 0.4041452 -0.0000000), wk = 0.0029586 k( 87) = ( 0.2266667 0.3925982 -0.0000000), wk = 0.0029586 k( 88) = ( 0.2200000 0.3810512 -0.0000000), wk = 0.0029586 k( 89) = ( 0.2133333 0.3695042 -0.0000000), wk = 0.0029586 k( 90) = ( 0.2066667 0.3579572 -0.0000000), wk = 0.0029586 k( 91) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0029586 k( 92) = ( 0.1933333 0.3348632 -0.0000000), wk = 0.0029586 k( 93) = ( 0.1866667 0.3233162 -0.0000000), wk = 0.0029586 k( 94) = ( 0.1800000 0.3117691 -0.0000000), wk = 0.0029586 k( 95) = ( 0.1733333 0.3002221 -0.0000000), wk = 0.0029586 k( 96) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0029586 k( 97) = ( 0.1600000 0.2771281 -0.0000000), wk = 0.0029586 k( 98) = ( 0.1533333 0.2655811 -0.0000000), wk = 0.0029586 k( 99) = ( 0.1466667 0.2540341 -0.0000000), wk = 0.0029586 k( 100) = ( 0.1400000 0.2424871 -0.0000000), wk = 0.0029586 k( 101) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0029586 k( 102) = ( 0.1266667 0.2193931 -0.0000000), wk = 0.0029586 k( 103) = ( 0.1200000 0.2078461 -0.0000000), wk = 0.0029586 k( 104) = ( 0.1133333 0.1962991 -0.0000000), wk = 0.0029586 k( 105) = ( 0.1066667 0.1847521 -0.0000000), wk = 0.0029586 k( 106) = ( 0.1000000 0.1732051 -0.0000000), wk = 0.0029586 k( 107) = ( 0.0933333 0.1616581 -0.0000000), wk = 0.0029586 k( 108) = ( 0.0866667 0.1501111 -0.0000000), wk = 0.0029586 k( 109) = ( 0.0800000 0.1385641 -0.0000000), wk = 0.0029586 k( 110) = ( 0.0733333 0.1270171 -0.0000000), wk = 0.0029586 k( 111) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0029586 k( 112) = ( 0.0600000 0.1039230 -0.0000000), wk = 0.0029586 k( 113) = ( 0.0533333 0.0923760 -0.0000000), wk = 0.0029586 k( 114) = ( 0.0466667 0.0808290 -0.0000000), wk = 0.0029586 k( 115) = ( 0.0400000 0.0692820 -0.0000000), wk = 0.0029586 k( 116) = ( 0.0333333 0.0577350 -0.0000000), wk = 0.0029586 k( 117) = ( 0.0266667 0.0461880 -0.0000000), wk = 0.0029586 k( 118) = ( 0.0200000 0.0346410 -0.0000000), wk = 0.0029586 k( 119) = ( 0.0133333 0.0230940 -0.0000000), wk = 0.0029586 k( 120) = ( 0.0066667 0.0115470 -0.0000000), wk = 0.0029586 k( 121) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 123) = ( 0.0000000 0.0000000 0.0133300), wk = 0.0029586 k( 124) = ( 0.0000000 0.0000000 0.0266600), wk = 0.0029586 k( 125) = ( 0.0000000 0.0000000 0.0399900), wk = 0.0029586 k( 126) = ( 0.0000000 0.0000000 0.0533201), wk = 0.0029586 k( 127) = ( 0.0000000 0.0000000 0.0666501), wk = 0.0029586 k( 128) = ( 0.0000000 0.0000000 0.0799801), wk = 0.0029586 k( 129) = ( 0.0000000 0.0000000 0.0933101), wk = 0.0029586 k( 130) = ( 0.0000000 0.0000000 0.1066401), wk = 0.0029586 k( 131) = ( 0.0000000 0.0000000 0.1199701), wk = 0.0029586 k( 132) = ( 0.0000000 0.0000000 0.1333001), wk = 0.0029586 k( 133) = ( 0.0000000 0.0000000 0.1466301), wk = 0.0029586 k( 134) = ( 0.0000000 0.0000000 0.1599602), wk = 0.0029586 k( 135) = ( 0.0000000 0.0000000 0.1732902), wk = 0.0029586 k( 136) = ( 0.0000000 0.0000000 0.1866202), wk = 0.0029586 k( 137) = ( 0.0000000 0.0000000 0.1999502), wk = 0.0029586 k( 138) = ( 0.0000000 0.0000000 0.2132802), wk = 0.0029586 k( 139) = ( 0.0000000 0.0000000 0.2266102), wk = 0.0029586 k( 140) = ( 0.0000000 0.0000000 0.2399402), wk = 0.0029586 k( 141) = ( 0.0000000 0.0000000 0.2532702), wk = 0.0029586 k( 142) = ( 0.0000000 0.0000000 0.2666003), wk = 0.0029586 k( 143) = ( 0.0000000 0.0000000 0.2799303), wk = 0.0029586 k( 144) = ( 0.0000000 0.0000000 0.2932603), wk = 0.0029586 k( 145) = ( 0.0000000 0.0000000 0.3065903), wk = 0.0029586 k( 146) = ( 0.0000000 0.0000000 0.3199203), wk = 0.0029586 k( 147) = ( 0.0000000 0.0000000 0.3332503), wk = 0.0029586 k( 148) = ( 0.0000000 0.0000000 0.3465803), wk = 0.0029586 k( 149) = ( 0.0000000 0.0000000 0.3599104), wk = 0.0029586 k( 150) = ( 0.0000000 0.0000000 0.3732404), wk = 0.0029586 k( 151) = ( 0.0000000 0.0000000 0.3865704), wk = 0.0029586 k( 152) = ( 0.0000000 0.0000000 0.3999004), wk = 0.0029586 k( 153) = ( 0.0000000 0.0000000 0.4132304), wk = 0.0029586 k( 154) = ( 0.0000000 0.0000000 0.4132304), wk = 0.0029586 k( 155) = ( 0.0116279 0.0067134 0.4132304), wk = 0.0029586 k( 156) = ( 0.0232558 0.0134267 0.4132304), wk = 0.0029586 k( 157) = ( 0.0348837 0.0201401 0.4132304), wk = 0.0029586 k( 158) = ( 0.0465116 0.0268535 0.4132304), wk = 0.0029586 k( 159) = ( 0.0581395 0.0335669 0.4132304), wk = 0.0029586 k( 160) = ( 0.0697674 0.0402803 0.4132304), wk = 0.0029586 k( 161) = ( 0.0813954 0.0469936 0.4132304), wk = 0.0029586 k( 162) = ( 0.0930233 0.0537070 0.4132304), wk = 0.0029586 k( 163) = ( 0.1046512 0.0604204 0.4132304), wk = 0.0029586 k( 164) = ( 0.1162791 0.0671338 0.4132304), wk = 0.0029586 k( 165) = ( 0.1279070 0.0738471 0.4132304), wk = 0.0029586 k( 166) = ( 0.1395349 0.0805605 0.4132304), wk = 0.0029586 k( 167) = ( 0.1511628 0.0872739 0.4132304), wk = 0.0029586 k( 168) = ( 0.1627907 0.0939873 0.4132304), wk = 0.0029586 k( 169) = ( 0.1744186 0.1007006 0.4132304), wk = 0.0029586 k( 170) = ( 0.1860465 0.1074140 0.4132304), wk = 0.0029586 k( 171) = ( 0.1976744 0.1141274 0.4132304), wk = 0.0029586 k( 172) = ( 0.2093023 0.1208408 0.4132304), wk = 0.0029586 k( 173) = ( 0.2209302 0.1275541 0.4132304), wk = 0.0029586 k( 174) = ( 0.2325581 0.1342675 0.4132304), wk = 0.0029586 k( 175) = ( 0.2441860 0.1409809 0.4132304), wk = 0.0029586 k( 176) = ( 0.2558140 0.1476943 0.4132304), wk = 0.0029586 k( 177) = ( 0.2674419 0.1544076 0.4132304), wk = 0.0029586 k( 178) = ( 0.2790698 0.1611210 0.4132304), wk = 0.0029586 k( 179) = ( 0.2906977 0.1678344 0.4132304), wk = 0.0029586 k( 180) = ( 0.3023256 0.1745478 0.4132304), wk = 0.0029586 k( 181) = ( 0.3139535 0.1812611 0.4132304), wk = 0.0029586 k( 182) = ( 0.3255814 0.1879745 0.4132304), wk = 0.0029586 k( 183) = ( 0.3372093 0.1946879 0.4132304), wk = 0.0029586 k( 184) = ( 0.3488372 0.2014013 0.4132304), wk = 0.0029586 k( 185) = ( 0.3604651 0.2081146 0.4132304), wk = 0.0029586 k( 186) = ( 0.3720930 0.2148280 0.4132304), wk = 0.0029586 k( 187) = ( 0.3837209 0.2215414 0.4132304), wk = 0.0029586 k( 188) = ( 0.3953488 0.2282548 0.4132304), wk = 0.0029586 k( 189) = ( 0.4069767 0.2349681 0.4132304), wk = 0.0029586 k( 190) = ( 0.4186047 0.2416815 0.4132304), wk = 0.0029586 k( 191) = ( 0.4302326 0.2483949 0.4132304), wk = 0.0029586 k( 192) = ( 0.4418605 0.2551083 0.4132304), wk = 0.0029586 k( 193) = ( 0.4534884 0.2618216 0.4132304), wk = 0.0029586 k( 194) = ( 0.4651163 0.2685350 0.4132304), wk = 0.0029586 k( 195) = ( 0.4767442 0.2752484 0.4132304), wk = 0.0029586 k( 196) = ( 0.4883721 0.2819618 0.4132304), wk = 0.0029586 k( 197) = ( 0.5000000 0.2886751 0.4132304), wk = 0.0029586 k( 198) = ( 0.5000000 0.2886751 0.4132304), wk = 0.0029586 k( 199) = ( 0.4933333 0.3002221 0.4132304), wk = 0.0029586 k( 200) = ( 0.4866667 0.3117692 0.4132304), wk = 0.0029586 k( 201) = ( 0.4800000 0.3233162 0.4132304), wk = 0.0029586 k( 202) = ( 0.4733333 0.3348632 0.4132304), wk = 0.0029586 k( 203) = ( 0.4666667 0.3464102 0.4132304), wk = 0.0029586 k( 204) = ( 0.4600000 0.3579572 0.4132304), wk = 0.0029586 k( 205) = ( 0.4533333 0.3695042 0.4132304), wk = 0.0029586 k( 206) = ( 0.4466667 0.3810512 0.4132304), wk = 0.0029586 k( 207) = ( 0.4400000 0.3925982 0.4132304), wk = 0.0029586 k( 208) = ( 0.4333333 0.4041452 0.4132304), wk = 0.0029586 k( 209) = ( 0.4266667 0.4156922 0.4132304), wk = 0.0029586 k( 210) = ( 0.4200000 0.4272392 0.4132304), wk = 0.0029586 k( 211) = ( 0.4133333 0.4387862 0.4132304), wk = 0.0029586 k( 212) = ( 0.4066667 0.4503332 0.4132304), wk = 0.0029586 k( 213) = ( 0.4000000 0.4618802 0.4132304), wk = 0.0029586 k( 214) = ( 0.3933333 0.4734272 0.4132304), wk = 0.0029586 k( 215) = ( 0.3866667 0.4849742 0.4132304), wk = 0.0029586 k( 216) = ( 0.3800000 0.4965212 0.4132304), wk = 0.0029586 k( 217) = ( 0.3733333 0.5080682 0.4132304), wk = 0.0029586 k( 218) = ( 0.3666667 0.5196152 0.4132304), wk = 0.0029586 k( 219) = ( 0.3600000 0.5311622 0.4132304), wk = 0.0029586 k( 220) = ( 0.3533333 0.5427092 0.4132304), wk = 0.0029586 k( 221) = ( 0.3466667 0.5542563 0.4132304), wk = 0.0029586 k( 222) = ( 0.3400000 0.5658033 0.4132304), wk = 0.0029586 k( 223) = ( 0.3333333 0.5773503 0.4132304), wk = 0.0029586 k( 224) = ( 0.3333333 0.5773503 0.4132304), wk = 0.0029586 k( 225) = ( 0.3266667 0.5658033 0.4132304), wk = 0.0029586 k( 226) = ( 0.3200000 0.5542563 0.4132304), wk = 0.0029586 k( 227) = ( 0.3133333 0.5427092 0.4132304), wk = 0.0029586 k( 228) = ( 0.3066667 0.5311623 0.4132304), wk = 0.0029586 k( 229) = ( 0.3000000 0.5196152 0.4132304), wk = 0.0029586 k( 230) = ( 0.2933333 0.5080682 0.4132304), wk = 0.0029586 k( 231) = ( 0.2866667 0.4965212 0.4132304), wk = 0.0029586 k( 232) = ( 0.2800000 0.4849742 0.4132304), wk = 0.0029586 k( 233) = ( 0.2733333 0.4734272 0.4132304), wk = 0.0029586 k( 234) = ( 0.2666667 0.4618802 0.4132304), wk = 0.0029586 k( 235) = ( 0.2600000 0.4503332 0.4132304), wk = 0.0029586 k( 236) = ( 0.2533333 0.4387862 0.4132304), wk = 0.0029586 k( 237) = ( 0.2466667 0.4272392 0.4132304), wk = 0.0029586 k( 238) = ( 0.2400000 0.4156922 0.4132304), wk = 0.0029586 k( 239) = ( 0.2333333 0.4041452 0.4132304), wk = 0.0029586 k( 240) = ( 0.2266667 0.3925982 0.4132304), wk = 0.0029586 k( 241) = ( 0.2200000 0.3810512 0.4132304), wk = 0.0029586 k( 242) = ( 0.2133333 0.3695042 0.4132304), wk = 0.0029586 k( 243) = ( 0.2066667 0.3579572 0.4132304), wk = 0.0029586 k( 244) = ( 0.2000000 0.3464102 0.4132304), wk = 0.0029586 k( 245) = ( 0.1933333 0.3348632 0.4132304), wk = 0.0029586 k( 246) = ( 0.1866667 0.3233162 0.4132304), wk = 0.0029586 k( 247) = ( 0.1800000 0.3117691 0.4132304), wk = 0.0029586 k( 248) = ( 0.1733333 0.3002221 0.4132304), wk = 0.0029586 k( 249) = ( 0.1666667 0.2886751 0.4132304), wk = 0.0029586 k( 250) = ( 0.1600000 0.2771281 0.4132304), wk = 0.0029586 k( 251) = ( 0.1533333 0.2655811 0.4132304), wk = 0.0029586 k( 252) = ( 0.1466667 0.2540341 0.4132304), wk = 0.0029586 k( 253) = ( 0.1400000 0.2424871 0.4132304), wk = 0.0029586 k( 254) = ( 0.1333333 0.2309401 0.4132304), wk = 0.0029586 k( 255) = ( 0.1266667 0.2193931 0.4132304), wk = 0.0029586 k( 256) = ( 0.1200000 0.2078461 0.4132304), wk = 0.0029586 k( 257) = ( 0.1133333 0.1962991 0.4132304), wk = 0.0029586 k( 258) = ( 0.1066667 0.1847521 0.4132304), wk = 0.0029586 k( 259) = ( 0.1000000 0.1732051 0.4132304), wk = 0.0029586 k( 260) = ( 0.0933333 0.1616581 0.4132304), wk = 0.0029586 k( 261) = ( 0.0866667 0.1501111 0.4132304), wk = 0.0029586 k( 262) = ( 0.0800000 0.1385641 0.4132304), wk = 0.0029586 k( 263) = ( 0.0733333 0.1270171 0.4132304), wk = 0.0029586 k( 264) = ( 0.0666667 0.1154701 0.4132304), wk = 0.0029586 k( 265) = ( 0.0600000 0.1039230 0.4132304), wk = 0.0029586 k( 266) = ( 0.0533333 0.0923760 0.4132304), wk = 0.0029586 k( 267) = ( 0.0466667 0.0808290 0.4132304), wk = 0.0029586 k( 268) = ( 0.0400000 0.0692820 0.4132304), wk = 0.0029586 k( 269) = ( 0.0333333 0.0577350 0.4132304), wk = 0.0029586 k( 270) = ( 0.0266667 0.0461880 0.4132304), wk = 0.0029586 k( 271) = ( 0.0200000 0.0346410 0.4132304), wk = 0.0029586 k( 272) = ( 0.0133333 0.0230940 0.4132304), wk = 0.0029586 k( 273) = ( 0.0066667 0.0115470 0.4132304), wk = 0.0029586 k( 274) = ( 0.0000000 0.0000000 0.4132304), wk = 0.0029586 k( 275) = ( 0.5000000 0.2886751 0.4132304), wk = 0.0029586 k( 276) = ( 0.5000000 0.2886751 0.3999004), wk = 0.0029586 k( 277) = ( 0.5000000 0.2886751 0.3865704), wk = 0.0029586 k( 278) = ( 0.5000000 0.2886751 0.3732404), wk = 0.0029586 k( 279) = ( 0.5000000 0.2886751 0.3599104), wk = 0.0029586 k( 280) = ( 0.5000000 0.2886751 0.3465803), wk = 0.0029586 k( 281) = ( 0.5000000 0.2886751 0.3332503), wk = 0.0029586 k( 282) = ( 0.5000000 0.2886751 0.3199203), wk = 0.0029586 k( 283) = ( 0.5000000 0.2886751 0.3065903), wk = 0.0029586 k( 284) = ( 0.5000000 0.2886751 0.2932603), wk = 0.0029586 k( 285) = ( 0.5000000 0.2886751 0.2799303), wk = 0.0029586 k( 286) = ( 0.5000000 0.2886751 0.2666003), wk = 0.0029586 k( 287) = ( 0.5000000 0.2886751 0.2532702), wk = 0.0029586 k( 288) = ( 0.5000000 0.2886751 0.2399402), wk = 0.0029586 k( 289) = ( 0.5000000 0.2886751 0.2266102), wk = 0.0029586 k( 290) = ( 0.5000000 0.2886751 0.2132802), wk = 0.0029586 k( 291) = ( 0.5000000 0.2886751 0.1999502), wk = 0.0029586 k( 292) = ( 0.5000000 0.2886751 0.1866202), wk = 0.0029586 k( 293) = ( 0.5000000 0.2886751 0.1732902), wk = 0.0029586 k( 294) = ( 0.5000000 0.2886751 0.1599602), wk = 0.0029586 k( 295) = ( 0.5000000 0.2886751 0.1466301), wk = 0.0029586 k( 296) = ( 0.5000000 0.2886751 0.1333001), wk = 0.0029586 k( 297) = ( 0.5000000 0.2886751 0.1199701), wk = 0.0029586 k( 298) = ( 0.5000000 0.2886751 0.1066401), wk = 0.0029586 k( 299) = ( 0.5000000 0.2886751 0.0933101), wk = 0.0029586 k( 300) = ( 0.5000000 0.2886751 0.0799801), wk = 0.0029586 k( 301) = ( 0.5000000 0.2886751 0.0666501), wk = 0.0029586 k( 302) = ( 0.5000000 0.2886751 0.0533201), wk = 0.0029586 k( 303) = ( 0.5000000 0.2886751 0.0399900), wk = 0.0029586 k( 304) = ( 0.5000000 0.2886751 0.0266600), wk = 0.0029586 k( 305) = ( 0.5000000 0.2886751 0.0133300), wk = 0.0029586 k( 306) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0029586 k( 307) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0029586 k( 308) = ( 0.3333333 0.5773503 0.0133300), wk = 0.0029586 k( 309) = ( 0.3333333 0.5773503 0.0266600), wk = 0.0029586 k( 310) = ( 0.3333333 0.5773503 0.0399900), wk = 0.0029586 k( 311) = ( 0.3333333 0.5773503 0.0533201), wk = 0.0029586 k( 312) = ( 0.3333333 0.5773503 0.0666501), wk = 0.0029586 k( 313) = ( 0.3333333 0.5773503 0.0799801), wk = 0.0029586 k( 314) = ( 0.3333333 0.5773503 0.0933101), wk = 0.0029586 k( 315) = ( 0.3333333 0.5773503 0.1066401), wk = 0.0029586 k( 316) = ( 0.3333333 0.5773503 0.1199701), wk = 0.0029586 k( 317) = ( 0.3333333 0.5773503 0.1333001), wk = 0.0029586 k( 318) = ( 0.3333333 0.5773503 0.1466301), wk = 0.0029586 k( 319) = ( 0.3333333 0.5773503 0.1599602), wk = 0.0029586 k( 320) = ( 0.3333333 0.5773503 0.1732902), wk = 0.0029586 k( 321) = ( 0.3333333 0.5773503 0.1866202), wk = 0.0029586 k( 322) = ( 0.3333333 0.5773503 0.1999502), wk = 0.0029586 k( 323) = ( 0.3333333 0.5773503 0.2132802), wk = 0.0029586 k( 324) = ( 0.3333333 0.5773503 0.2266102), wk = 0.0029586 k( 325) = ( 0.3333333 0.5773503 0.2399402), wk = 0.0029586 k( 326) = ( 0.3333333 0.5773503 0.2532702), wk = 0.0029586 k( 327) = ( 0.3333333 0.5773503 0.2666003), wk = 0.0029586 k( 328) = ( 0.3333333 0.5773503 0.2799303), wk = 0.0029586 k( 329) = ( 0.3333333 0.5773503 0.2932603), wk = 0.0029586 k( 330) = ( 0.3333333 0.5773503 0.3065903), wk = 0.0029586 k( 331) = ( 0.3333333 0.5773503 0.3199203), wk = 0.0029586 k( 332) = ( 0.3333333 0.5773503 0.3332503), wk = 0.0029586 k( 333) = ( 0.3333333 0.5773503 0.3465803), wk = 0.0029586 k( 334) = ( 0.3333333 0.5773503 0.3599104), wk = 0.0029586 k( 335) = ( 0.3333333 0.5773503 0.3732404), wk = 0.0029586 k( 336) = ( 0.3333333 0.5773503 0.3865704), wk = 0.0029586 k( 337) = ( 0.3333333 0.5773503 0.3999004), wk = 0.0029586 k( 338) = ( 0.3333333 0.5773503 0.4132304), wk = 0.0029586 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 2) = ( 0.0116279 0.0000000 0.0000000), wk = 0.0029586 k( 3) = ( 0.0232558 0.0000000 0.0000000), wk = 0.0029586 k( 4) = ( 0.0348837 0.0000000 0.0000000), wk = 0.0029586 k( 5) = ( 0.0465116 0.0000000 0.0000000), wk = 0.0029586 k( 6) = ( 0.0581395 -0.0000000 -0.0000000), wk = 0.0029586 k( 7) = ( 0.0697674 0.0000000 0.0000000), wk = 0.0029586 k( 8) = ( 0.0813954 -0.0000000 0.0000000), wk = 0.0029586 k( 9) = ( 0.0930233 0.0000000 0.0000000), wk = 0.0029586 k( 10) = ( 0.1046512 -0.0000000 0.0000000), wk = 0.0029586 k( 11) = ( 0.1162791 -0.0000000 0.0000000), wk = 0.0029586 k( 12) = ( 0.1279070 0.0000000 0.0000000), wk = 0.0029586 k( 13) = ( 0.1395349 0.0000000 0.0000000), wk = 0.0029586 k( 14) = ( 0.1511628 -0.0000000 0.0000000), wk = 0.0029586 k( 15) = ( 0.1627907 -0.0000000 0.0000000), wk = 0.0029586 k( 16) = ( 0.1744186 -0.0000000 0.0000000), wk = 0.0029586 k( 17) = ( 0.1860465 0.0000000 0.0000000), wk = 0.0029586 k( 18) = ( 0.1976744 -0.0000000 0.0000000), wk = 0.0029586 k( 19) = ( 0.2093023 -0.0000000 0.0000000), wk = 0.0029586 k( 20) = ( 0.2209302 0.0000000 0.0000000), wk = 0.0029586 k( 21) = ( 0.2325581 -0.0000000 0.0000000), wk = 0.0029586 k( 22) = ( 0.2441860 -0.0000000 0.0000000), wk = 0.0029586 k( 23) = ( 0.2558140 0.0000000 0.0000000), wk = 0.0029586 k( 24) = ( 0.2674419 0.0000000 0.0000000), wk = 0.0029586 k( 25) = ( 0.2790698 0.0000000 0.0000000), wk = 0.0029586 k( 26) = ( 0.2906977 0.0000000 0.0000000), wk = 0.0029586 k( 27) = ( 0.3023256 -0.0000000 0.0000000), wk = 0.0029586 k( 28) = ( 0.3139535 0.0000000 0.0000000), wk = 0.0029586 k( 29) = ( 0.3255814 -0.0000000 0.0000000), wk = 0.0029586 k( 30) = ( 0.3372093 0.0000000 0.0000000), wk = 0.0029586 k( 31) = ( 0.3488372 -0.0000000 0.0000000), wk = 0.0029586 k( 32) = ( 0.3604651 0.0000000 0.0000000), wk = 0.0029586 k( 33) = ( 0.3720930 0.0000000 0.0000000), wk = 0.0029586 k( 34) = ( 0.3837209 0.0000000 0.0000000), wk = 0.0029586 k( 35) = ( 0.3953488 -0.0000000 0.0000000), wk = 0.0029586 k( 36) = ( 0.4069767 -0.0000000 0.0000000), wk = 0.0029586 k( 37) = ( 0.4186047 -0.0000000 0.0000000), wk = 0.0029586 k( 38) = ( 0.4302326 -0.0000000 0.0000000), wk = 0.0029586 k( 39) = ( 0.4418605 -0.0000000 0.0000000), wk = 0.0029586 k( 40) = ( 0.4534884 -0.0000000 0.0000000), wk = 0.0029586 k( 41) = ( 0.4651163 -0.0000000 0.0000000), wk = 0.0029586 k( 42) = ( 0.4767442 0.0000000 0.0000000), wk = 0.0029586 k( 43) = ( 0.4883721 0.0000000 0.0000000), wk = 0.0029586 k( 44) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0029586 k( 45) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0029586 k( 46) = ( 0.4933333 0.0133333 0.0000000), wk = 0.0029586 k( 47) = ( 0.4866667 0.0266667 0.0000000), wk = 0.0029586 k( 48) = ( 0.4800000 0.0400000 0.0000000), wk = 0.0029586 k( 49) = ( 0.4733333 0.0533333 0.0000000), wk = 0.0029586 k( 50) = ( 0.4666667 0.0666667 0.0000000), wk = 0.0029586 k( 51) = ( 0.4600000 0.0800000 0.0000000), wk = 0.0029586 k( 52) = ( 0.4533333 0.0933333 0.0000000), wk = 0.0029586 k( 53) = ( 0.4466667 0.1066667 0.0000000), wk = 0.0029586 k( 54) = ( 0.4400000 0.1200000 0.0000000), wk = 0.0029586 k( 55) = ( 0.4333333 0.1333333 0.0000000), wk = 0.0029586 k( 56) = ( 0.4266667 0.1466667 0.0000000), wk = 0.0029586 k( 57) = ( 0.4200000 0.1600000 0.0000000), wk = 0.0029586 k( 58) = ( 0.4133333 0.1733333 0.0000000), wk = 0.0029586 k( 59) = ( 0.4066667 0.1866667 0.0000000), wk = 0.0029586 k( 60) = ( 0.4000000 0.2000000 0.0000000), wk = 0.0029586 k( 61) = ( 0.3933333 0.2133333 0.0000000), wk = 0.0029586 k( 62) = ( 0.3866667 0.2266667 0.0000000), wk = 0.0029586 k( 63) = ( 0.3800000 0.2400000 0.0000000), wk = 0.0029586 k( 64) = ( 0.3733333 0.2533333 0.0000000), wk = 0.0029586 k( 65) = ( 0.3666667 0.2666667 0.0000000), wk = 0.0029586 k( 66) = ( 0.3600000 0.2800000 0.0000000), wk = 0.0029586 k( 67) = ( 0.3533333 0.2933333 0.0000000), wk = 0.0029586 k( 68) = ( 0.3466667 0.3066667 0.0000000), wk = 0.0029586 k( 69) = ( 0.3400000 0.3200000 0.0000000), wk = 0.0029586 k( 70) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0029586 k( 71) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0029586 k( 72) = ( 0.3266667 0.3266667 0.0000000), wk = 0.0029586 k( 73) = ( 0.3200000 0.3200000 0.0000000), wk = 0.0029586 k( 74) = ( 0.3133333 0.3133333 0.0000000), wk = 0.0029586 k( 75) = ( 0.3066667 0.3066667 0.0000000), wk = 0.0029586 k( 76) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0029586 k( 77) = ( 0.2933333 0.2933333 -0.0000000), wk = 0.0029586 k( 78) = ( 0.2866667 0.2866667 -0.0000000), wk = 0.0029586 k( 79) = ( 0.2800000 0.2800000 0.0000000), wk = 0.0029586 k( 80) = ( 0.2733333 0.2733333 0.0000000), wk = 0.0029586 k( 81) = ( 0.2666667 0.2666667 0.0000000), wk = 0.0029586 k( 82) = ( 0.2600000 0.2600000 0.0000000), wk = 0.0029586 k( 83) = ( 0.2533333 0.2533333 0.0000000), wk = 0.0029586 k( 84) = ( 0.2466667 0.2466667 0.0000000), wk = 0.0029586 k( 85) = ( 0.2400000 0.2400000 0.0000000), wk = 0.0029586 k( 86) = ( 0.2333333 0.2333333 0.0000000), wk = 0.0029586 k( 87) = ( 0.2266667 0.2266667 0.0000000), wk = 0.0029586 k( 88) = ( 0.2200000 0.2200000 0.0000000), wk = 0.0029586 k( 89) = ( 0.2133333 0.2133333 0.0000000), wk = 0.0029586 k( 90) = ( 0.2066667 0.2066667 -0.0000000), wk = 0.0029586 k( 91) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0029586 k( 92) = ( 0.1933333 0.1933333 0.0000000), wk = 0.0029586 k( 93) = ( 0.1866667 0.1866667 0.0000000), wk = 0.0029586 k( 94) = ( 0.1800000 0.1800000 0.0000000), wk = 0.0029586 k( 95) = ( 0.1733333 0.1733333 0.0000000), wk = 0.0029586 k( 96) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0029586 k( 97) = ( 0.1600000 0.1600000 0.0000000), wk = 0.0029586 k( 98) = ( 0.1533333 0.1533333 0.0000000), wk = 0.0029586 k( 99) = ( 0.1466667 0.1466667 0.0000000), wk = 0.0029586 k( 100) = ( 0.1400000 0.1400000 0.0000000), wk = 0.0029586 k( 101) = ( 0.1333333 0.1333333 -0.0000000), wk = 0.0029586 k( 102) = ( 0.1266667 0.1266667 0.0000000), wk = 0.0029586 k( 103) = ( 0.1200000 0.1200000 0.0000000), wk = 0.0029586 k( 104) = ( 0.1133333 0.1133333 -0.0000000), wk = 0.0029586 k( 105) = ( 0.1066667 0.1066667 0.0000000), wk = 0.0029586 k( 106) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0029586 k( 107) = ( 0.0933333 0.0933333 0.0000000), wk = 0.0029586 k( 108) = ( 0.0866667 0.0866667 0.0000000), wk = 0.0029586 k( 109) = ( 0.0800000 0.0800000 0.0000000), wk = 0.0029586 k( 110) = ( 0.0733333 0.0733333 0.0000000), wk = 0.0029586 k( 111) = ( 0.0666667 0.0666667 0.0000000), wk = 0.0029586 k( 112) = ( 0.0600000 0.0600000 0.0000000), wk = 0.0029586 k( 113) = ( 0.0533333 0.0533333 0.0000000), wk = 0.0029586 k( 114) = ( 0.0466667 0.0466667 0.0000000), wk = 0.0029586 k( 115) = ( 0.0400000 0.0400000 0.0000000), wk = 0.0029586 k( 116) = ( 0.0333333 0.0333333 0.0000000), wk = 0.0029586 k( 117) = ( 0.0266667 0.0266667 0.0000000), wk = 0.0029586 k( 118) = ( 0.0200000 0.0200000 0.0000000), wk = 0.0029586 k( 119) = ( 0.0133333 0.0133333 0.0000000), wk = 0.0029586 k( 120) = ( 0.0066667 0.0066667 0.0000000), wk = 0.0029586 k( 121) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 123) = ( 0.0000000 0.0000000 0.0161290), wk = 0.0029586 k( 124) = ( 0.0000000 0.0000000 0.0322581), wk = 0.0029586 k( 125) = ( 0.0000000 0.0000000 0.0483871), wk = 0.0029586 k( 126) = ( 0.0000000 0.0000000 0.0645161), wk = 0.0029586 k( 127) = ( 0.0000000 0.0000000 0.0806452), wk = 0.0029586 k( 128) = ( 0.0000000 0.0000000 0.0967742), wk = 0.0029586 k( 129) = ( 0.0000000 0.0000000 0.1129032), wk = 0.0029586 k( 130) = ( 0.0000000 0.0000000 0.1290323), wk = 0.0029586 k( 131) = ( 0.0000000 0.0000000 0.1451613), wk = 0.0029586 k( 132) = ( 0.0000000 0.0000000 0.1612903), wk = 0.0029586 k( 133) = ( 0.0000000 0.0000000 0.1774194), wk = 0.0029586 k( 134) = ( 0.0000000 0.0000000 0.1935484), wk = 0.0029586 k( 135) = ( 0.0000000 0.0000000 0.2096774), wk = 0.0029586 k( 136) = ( 0.0000000 0.0000000 0.2258065), wk = 0.0029586 k( 137) = ( 0.0000000 0.0000000 0.2419355), wk = 0.0029586 k( 138) = ( 0.0000000 0.0000000 0.2580645), wk = 0.0029586 k( 139) = ( 0.0000000 0.0000000 0.2741936), wk = 0.0029586 k( 140) = ( 0.0000000 0.0000000 0.2903226), wk = 0.0029586 k( 141) = ( 0.0000000 0.0000000 0.3064516), wk = 0.0029586 k( 142) = ( 0.0000000 0.0000000 0.3225807), wk = 0.0029586 k( 143) = ( 0.0000000 0.0000000 0.3387097), wk = 0.0029586 k( 144) = ( 0.0000000 0.0000000 0.3548387), wk = 0.0029586 k( 145) = ( 0.0000000 0.0000000 0.3709677), wk = 0.0029586 k( 146) = ( 0.0000000 0.0000000 0.3870968), wk = 0.0029586 k( 147) = ( 0.0000000 0.0000000 0.4032258), wk = 0.0029586 k( 148) = ( 0.0000000 0.0000000 0.4193548), wk = 0.0029586 k( 149) = ( 0.0000000 0.0000000 0.4354839), wk = 0.0029586 k( 150) = ( 0.0000000 0.0000000 0.4516129), wk = 0.0029586 k( 151) = ( 0.0000000 0.0000000 0.4677419), wk = 0.0029586 k( 152) = ( 0.0000000 0.0000000 0.4838710), wk = 0.0029586 k( 153) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029586 k( 154) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029586 k( 155) = ( 0.0116279 0.0000000 0.5000000), wk = 0.0029586 k( 156) = ( 0.0232558 0.0000000 0.5000000), wk = 0.0029586 k( 157) = ( 0.0348837 0.0000000 0.5000000), wk = 0.0029586 k( 158) = ( 0.0465116 0.0000000 0.5000000), wk = 0.0029586 k( 159) = ( 0.0581395 -0.0000000 0.5000000), wk = 0.0029586 k( 160) = ( 0.0697674 0.0000000 0.5000000), wk = 0.0029586 k( 161) = ( 0.0813954 -0.0000000 0.5000000), wk = 0.0029586 k( 162) = ( 0.0930233 0.0000000 0.5000000), wk = 0.0029586 k( 163) = ( 0.1046512 -0.0000000 0.5000000), wk = 0.0029586 k( 164) = ( 0.1162791 -0.0000000 0.5000000), wk = 0.0029586 k( 165) = ( 0.1279070 0.0000000 0.5000000), wk = 0.0029586 k( 166) = ( 0.1395349 0.0000000 0.5000000), wk = 0.0029586 k( 167) = ( 0.1511628 -0.0000000 0.5000000), wk = 0.0029586 k( 168) = ( 0.1627907 -0.0000000 0.5000000), wk = 0.0029586 k( 169) = ( 0.1744186 -0.0000000 0.5000000), wk = 0.0029586 k( 170) = ( 0.1860465 0.0000000 0.5000000), wk = 0.0029586 k( 171) = ( 0.1976744 -0.0000000 0.5000000), wk = 0.0029586 k( 172) = ( 0.2093023 -0.0000000 0.5000000), wk = 0.0029586 k( 173) = ( 0.2209302 0.0000000 0.5000000), wk = 0.0029586 k( 174) = ( 0.2325581 -0.0000000 0.5000000), wk = 0.0029586 k( 175) = ( 0.2441860 -0.0000000 0.5000000), wk = 0.0029586 k( 176) = ( 0.2558140 0.0000000 0.5000000), wk = 0.0029586 k( 177) = ( 0.2674419 0.0000000 0.5000000), wk = 0.0029586 k( 178) = ( 0.2790698 0.0000000 0.5000000), wk = 0.0029586 k( 179) = ( 0.2906977 0.0000000 0.5000000), wk = 0.0029586 k( 180) = ( 0.3023256 -0.0000000 0.5000000), wk = 0.0029586 k( 181) = ( 0.3139535 0.0000000 0.5000000), wk = 0.0029586 k( 182) = ( 0.3255814 -0.0000000 0.5000000), wk = 0.0029586 k( 183) = ( 0.3372093 0.0000000 0.5000000), wk = 0.0029586 k( 184) = ( 0.3488372 -0.0000000 0.5000000), wk = 0.0029586 k( 185) = ( 0.3604651 0.0000000 0.5000000), wk = 0.0029586 k( 186) = ( 0.3720930 0.0000000 0.5000000), wk = 0.0029586 k( 187) = ( 0.3837209 0.0000000 0.5000000), wk = 0.0029586 k( 188) = ( 0.3953488 -0.0000000 0.5000000), wk = 0.0029586 k( 189) = ( 0.4069767 -0.0000000 0.5000000), wk = 0.0029586 k( 190) = ( 0.4186047 -0.0000000 0.5000000), wk = 0.0029586 k( 191) = ( 0.4302326 -0.0000000 0.5000000), wk = 0.0029586 k( 192) = ( 0.4418605 -0.0000000 0.5000000), wk = 0.0029586 k( 193) = ( 0.4534884 -0.0000000 0.5000000), wk = 0.0029586 k( 194) = ( 0.4651163 -0.0000000 0.5000000), wk = 0.0029586 k( 195) = ( 0.4767442 0.0000000 0.5000000), wk = 0.0029586 k( 196) = ( 0.4883721 0.0000000 0.5000000), wk = 0.0029586 k( 197) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0029586 k( 198) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0029586 k( 199) = ( 0.4933333 0.0133333 0.5000000), wk = 0.0029586 k( 200) = ( 0.4866667 0.0266667 0.5000000), wk = 0.0029586 k( 201) = ( 0.4800000 0.0400000 0.5000000), wk = 0.0029586 k( 202) = ( 0.4733333 0.0533333 0.5000000), wk = 0.0029586 k( 203) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0029586 k( 204) = ( 0.4600000 0.0800000 0.5000000), wk = 0.0029586 k( 205) = ( 0.4533333 0.0933333 0.5000000), wk = 0.0029586 k( 206) = ( 0.4466667 0.1066667 0.5000000), wk = 0.0029586 k( 207) = ( 0.4400000 0.1200000 0.5000000), wk = 0.0029586 k( 208) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0029586 k( 209) = ( 0.4266667 0.1466667 0.5000000), wk = 0.0029586 k( 210) = ( 0.4200000 0.1600000 0.5000000), wk = 0.0029586 k( 211) = ( 0.4133333 0.1733333 0.5000000), wk = 0.0029586 k( 212) = ( 0.4066667 0.1866667 0.5000000), wk = 0.0029586 k( 213) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0029586 k( 214) = ( 0.3933333 0.2133333 0.5000000), wk = 0.0029586 k( 215) = ( 0.3866667 0.2266667 0.5000000), wk = 0.0029586 k( 216) = ( 0.3800000 0.2400000 0.5000000), wk = 0.0029586 k( 217) = ( 0.3733333 0.2533333 0.5000000), wk = 0.0029586 k( 218) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0029586 k( 219) = ( 0.3600000 0.2800000 0.5000000), wk = 0.0029586 k( 220) = ( 0.3533333 0.2933333 0.5000000), wk = 0.0029586 k( 221) = ( 0.3466667 0.3066667 0.5000000), wk = 0.0029586 k( 222) = ( 0.3400000 0.3200000 0.5000000), wk = 0.0029586 k( 223) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0029586 k( 224) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0029586 k( 225) = ( 0.3266667 0.3266667 0.5000000), wk = 0.0029586 k( 226) = ( 0.3200000 0.3200000 0.5000000), wk = 0.0029586 k( 227) = ( 0.3133333 0.3133333 0.5000000), wk = 0.0029586 k( 228) = ( 0.3066667 0.3066667 0.5000000), wk = 0.0029586 k( 229) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0029586 k( 230) = ( 0.2933333 0.2933333 0.5000000), wk = 0.0029586 k( 231) = ( 0.2866667 0.2866667 0.5000000), wk = 0.0029586 k( 232) = ( 0.2800000 0.2800000 0.5000000), wk = 0.0029586 k( 233) = ( 0.2733333 0.2733333 0.5000000), wk = 0.0029586 k( 234) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0029586 k( 235) = ( 0.2600000 0.2600000 0.5000000), wk = 0.0029586 k( 236) = ( 0.2533333 0.2533333 0.5000000), wk = 0.0029586 k( 237) = ( 0.2466667 0.2466667 0.5000000), wk = 0.0029586 k( 238) = ( 0.2400000 0.2400000 0.5000000), wk = 0.0029586 k( 239) = ( 0.2333333 0.2333333 0.5000000), wk = 0.0029586 k( 240) = ( 0.2266667 0.2266667 0.5000000), wk = 0.0029586 k( 241) = ( 0.2200000 0.2200000 0.5000000), wk = 0.0029586 k( 242) = ( 0.2133333 0.2133333 0.5000000), wk = 0.0029586 k( 243) = ( 0.2066667 0.2066667 0.5000000), wk = 0.0029586 k( 244) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0029586 k( 245) = ( 0.1933333 0.1933333 0.5000000), wk = 0.0029586 k( 246) = ( 0.1866667 0.1866667 0.5000000), wk = 0.0029586 k( 247) = ( 0.1800000 0.1800000 0.5000000), wk = 0.0029586 k( 248) = ( 0.1733333 0.1733333 0.5000000), wk = 0.0029586 k( 249) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0029586 k( 250) = ( 0.1600000 0.1600000 0.5000000), wk = 0.0029586 k( 251) = ( 0.1533333 0.1533333 0.5000000), wk = 0.0029586 k( 252) = ( 0.1466667 0.1466667 0.5000000), wk = 0.0029586 k( 253) = ( 0.1400000 0.1400000 0.5000000), wk = 0.0029586 k( 254) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0029586 k( 255) = ( 0.1266667 0.1266667 0.5000000), wk = 0.0029586 k( 256) = ( 0.1200000 0.1200000 0.5000000), wk = 0.0029586 k( 257) = ( 0.1133333 0.1133333 0.5000000), wk = 0.0029586 k( 258) = ( 0.1066667 0.1066667 0.5000000), wk = 0.0029586 k( 259) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0029586 k( 260) = ( 0.0933333 0.0933333 0.5000000), wk = 0.0029586 k( 261) = ( 0.0866667 0.0866667 0.5000000), wk = 0.0029586 k( 262) = ( 0.0800000 0.0800000 0.5000000), wk = 0.0029586 k( 263) = ( 0.0733333 0.0733333 0.5000000), wk = 0.0029586 k( 264) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0029586 k( 265) = ( 0.0600000 0.0600000 0.5000000), wk = 0.0029586 k( 266) = ( 0.0533333 0.0533333 0.5000000), wk = 0.0029586 k( 267) = ( 0.0466667 0.0466667 0.5000000), wk = 0.0029586 k( 268) = ( 0.0400000 0.0400000 0.5000000), wk = 0.0029586 k( 269) = ( 0.0333333 0.0333333 0.5000000), wk = 0.0029586 k( 270) = ( 0.0266667 0.0266667 0.5000000), wk = 0.0029586 k( 271) = ( 0.0200000 0.0200000 0.5000000), wk = 0.0029586 k( 272) = ( 0.0133333 0.0133333 0.5000000), wk = 0.0029586 k( 273) = ( 0.0066667 0.0066667 0.5000000), wk = 0.0029586 k( 274) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029586 k( 275) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0029586 k( 276) = ( 0.5000000 -0.0000000 0.4838710), wk = 0.0029586 k( 277) = ( 0.5000000 -0.0000000 0.4677419), wk = 0.0029586 k( 278) = ( 0.5000000 -0.0000000 0.4516129), wk = 0.0029586 k( 279) = ( 0.5000000 -0.0000000 0.4354839), wk = 0.0029586 k( 280) = ( 0.5000000 -0.0000000 0.4193548), wk = 0.0029586 k( 281) = ( 0.5000000 -0.0000000 0.4032258), wk = 0.0029586 k( 282) = ( 0.5000000 -0.0000000 0.3870968), wk = 0.0029586 k( 283) = ( 0.5000000 -0.0000000 0.3709677), wk = 0.0029586 k( 284) = ( 0.5000000 -0.0000000 0.3548387), wk = 0.0029586 k( 285) = ( 0.5000000 -0.0000000 0.3387097), wk = 0.0029586 k( 286) = ( 0.5000000 -0.0000000 0.3225807), wk = 0.0029586 k( 287) = ( 0.5000000 -0.0000000 0.3064516), wk = 0.0029586 k( 288) = ( 0.5000000 -0.0000000 0.2903226), wk = 0.0029586 k( 289) = ( 0.5000000 -0.0000000 0.2741935), wk = 0.0029586 k( 290) = ( 0.5000000 -0.0000000 0.2580645), wk = 0.0029586 k( 291) = ( 0.5000000 -0.0000000 0.2419355), wk = 0.0029586 k( 292) = ( 0.5000000 -0.0000000 0.2258064), wk = 0.0029586 k( 293) = ( 0.5000000 -0.0000000 0.2096774), wk = 0.0029586 k( 294) = ( 0.5000000 -0.0000000 0.1935484), wk = 0.0029586 k( 295) = ( 0.5000000 -0.0000000 0.1774193), wk = 0.0029586 k( 296) = ( 0.5000000 -0.0000000 0.1612903), wk = 0.0029586 k( 297) = ( 0.5000000 -0.0000000 0.1451613), wk = 0.0029586 k( 298) = ( 0.5000000 -0.0000000 0.1290323), wk = 0.0029586 k( 299) = ( 0.5000000 -0.0000000 0.1129032), wk = 0.0029586 k( 300) = ( 0.5000000 -0.0000000 0.0967742), wk = 0.0029586 k( 301) = ( 0.5000000 -0.0000000 0.0806452), wk = 0.0029586 k( 302) = ( 0.5000000 -0.0000000 0.0645161), wk = 0.0029586 k( 303) = ( 0.5000000 -0.0000000 0.0483871), wk = 0.0029586 k( 304) = ( 0.5000000 -0.0000000 0.0322581), wk = 0.0029586 k( 305) = ( 0.5000000 -0.0000000 0.0161290), wk = 0.0029586 k( 306) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0029586 k( 307) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0029586 k( 308) = ( 0.3333333 0.3333333 0.0161290), wk = 0.0029586 k( 309) = ( 0.3333333 0.3333333 0.0322581), wk = 0.0029586 k( 310) = ( 0.3333333 0.3333333 0.0483871), wk = 0.0029586 k( 311) = ( 0.3333333 0.3333333 0.0645161), wk = 0.0029586 k( 312) = ( 0.3333333 0.3333333 0.0806452), wk = 0.0029586 k( 313) = ( 0.3333333 0.3333333 0.0967742), wk = 0.0029586 k( 314) = ( 0.3333333 0.3333333 0.1129032), wk = 0.0029586 k( 315) = ( 0.3333333 0.3333333 0.1290323), wk = 0.0029586 k( 316) = ( 0.3333333 0.3333333 0.1451613), wk = 0.0029586 k( 317) = ( 0.3333333 0.3333333 0.1612903), wk = 0.0029586 k( 318) = ( 0.3333333 0.3333333 0.1774194), wk = 0.0029586 k( 319) = ( 0.3333333 0.3333333 0.1935484), wk = 0.0029586 k( 320) = ( 0.3333333 0.3333333 0.2096774), wk = 0.0029586 k( 321) = ( 0.3333333 0.3333333 0.2258065), wk = 0.0029586 k( 322) = ( 0.3333333 0.3333333 0.2419355), wk = 0.0029586 k( 323) = ( 0.3333333 0.3333333 0.2580645), wk = 0.0029586 k( 324) = ( 0.3333333 0.3333333 0.2741936), wk = 0.0029586 k( 325) = ( 0.3333333 0.3333333 0.2903226), wk = 0.0029586 k( 326) = ( 0.3333333 0.3333333 0.3064516), wk = 0.0029586 k( 327) = ( 0.3333333 0.3333333 0.3225807), wk = 0.0029586 k( 328) = ( 0.3333333 0.3333333 0.3387097), wk = 0.0029586 k( 329) = ( 0.3333333 0.3333333 0.3548387), wk = 0.0029586 k( 330) = ( 0.3333333 0.3333333 0.3709677), wk = 0.0029586 k( 331) = ( 0.3333333 0.3333333 0.3870968), wk = 0.0029586 k( 332) = ( 0.3333333 0.3333333 0.4032258), wk = 0.0029586 k( 333) = ( 0.3333333 0.3333333 0.4193548), wk = 0.0029586 k( 334) = ( 0.3333333 0.3333333 0.4354839), wk = 0.0029586 k( 335) = ( 0.3333333 0.3333333 0.4516129), wk = 0.0029586 k( 336) = ( 0.3333333 0.3333333 0.4677419), wk = 0.0029586 k( 337) = ( 0.3333333 0.3333333 0.4838710), wk = 0.0029586 k( 338) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0029586 Dense grid: 41823 G-vectors FFT dimensions: ( 45, 45, 54) Smooth grid: 21797 G-vectors FFT dimensions: ( 36, 36, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.06 Mb ( 118, 34) NL pseudopotentials 0.07 Mb ( 59, 82) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 874) G-vector shells 0.00 Mb ( 441) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.24 Mb ( 118, 136) Each subspace H/S matrix 0.28 Mb ( 136, 136) Each matrix 0.09 Mb ( 82, 2, 34) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./KZnAs.save/charge-density.dat Starting wfc are 42 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 43.6 secs Computing kpt #: 2 total cpu time spent up to now is 44.2 secs Computing kpt #: 3 total cpu time spent up to now is 44.9 secs Computing kpt #: 4 total cpu time spent up to now is 45.5 secs Computing kpt #: 5 total cpu time spent up to now is 46.1 secs Computing kpt #: 6 total cpu time spent up to now is 46.7 secs Computing kpt #: 7 total cpu time spent up to now is 47.4 secs Computing kpt #: 8 total cpu time spent up to now is 48.0 secs Computing kpt #: 9 total cpu time spent up to now is 48.6 secs Computing kpt #: 10 total cpu time spent up to now is 49.4 secs Computing kpt #: 11 total cpu time spent up to now is 50.0 secs Computing kpt #: 12 total cpu time spent up to now is 50.8 secs Computing kpt #: 13 total cpu time spent up to now is 51.6 secs Computing kpt #: 14 total cpu time spent up to now is 52.3 secs Computing kpt #: 15 total cpu time spent up to now is 53.1 secs Computing kpt #: 16 total cpu time spent up to now is 53.8 secs Computing kpt #: 17 total cpu time spent up to now is 54.5 secs Computing kpt #: 18 total cpu time spent up to now is 55.0 secs Computing kpt #: 19 total cpu time spent up to now is 55.7 secs Computing kpt #: 20 total cpu time spent up to now is 56.4 secs Computing kpt #: 21 total cpu time spent up to now is 57.0 secs Computing kpt #: 22 total cpu time spent up to now is 57.7 secs Computing kpt #: 23 total cpu time spent up to now is 58.4 secs Computing kpt #: 24 total cpu time spent up to now is 59.0 secs Computing kpt #: 25 total cpu time spent up to now is 59.7 secs Computing kpt #: 26 total cpu time spent up to now is 60.3 secs Computing kpt #: 27 total cpu time spent up to now is 60.9 secs Computing kpt #: 28 total cpu time spent up to now is 61.5 secs Computing kpt #: 29 total cpu time spent up to now is 62.2 secs Computing kpt #: 30 total cpu time spent up to now is 62.8 secs Computing kpt #: 31 total cpu time spent up to now is 63.6 secs Computing kpt #: 32 total cpu time spent up to now is 64.1 secs Computing kpt #: 33 total cpu time spent up to now is 64.8 secs Computing kpt #: 34 total cpu time spent up to now is 65.3 secs Computing kpt #: 35 total cpu time spent up to now is 65.9 secs Computing kpt #: 36 total cpu time spent up to now is 66.4 secs Computing kpt #: 37 total cpu time spent up to now is 67.0 secs Computing kpt #: 38 total cpu time spent up to now is 67.6 secs Computing kpt #: 39 total cpu time spent up to now is 68.3 secs Computing kpt #: 40 total cpu time spent up to now is 68.9 secs Computing kpt #: 41 total cpu time spent up to now is 69.5 secs Computing kpt #: 42 total cpu time spent up to now is 70.1 secs Computing kpt #: 43 total cpu time spent up to now is 70.7 secs Computing kpt #: 44 total cpu time spent up to now is 71.3 secs Computing kpt #: 45 total cpu time spent up to now is 71.9 secs Computing kpt #: 46 total cpu time spent up to now is 72.4 secs Computing kpt #: 47 total cpu time spent up to now is 73.0 secs Computing kpt #: 48 total cpu time spent up to now is 73.6 secs Computing kpt #: 49 total cpu time spent up to now is 74.2 secs Computing kpt #: 50 total cpu time spent up to now is 74.8 secs Computing kpt #: 51 total cpu time spent up to now is 75.4 secs Computing kpt #: 52 total cpu time spent up to now is 76.0 secs Computing kpt #: 53 total cpu time spent up to now is 76.6 secs Computing kpt #: 54 total cpu time spent up to now is 77.2 secs Computing kpt #: 55 total cpu time spent up to now is 77.8 secs Computing kpt #: 56 total cpu time spent up to now is 78.4 secs Computing kpt #: 57 total cpu time spent up to now is 78.9 secs Computing kpt #: 58 total cpu time spent up to now is 79.5 secs Computing kpt #: 59 total cpu time spent up to now is 80.1 secs Computing kpt #: 60 total cpu time spent up to now is 80.8 secs Computing kpt #: 61 total cpu time spent up to now is 81.6 secs Computing kpt #: 62 total cpu time spent up to now is 82.3 secs Computing kpt #: 63 total cpu time spent up to now is 83.0 secs Computing kpt #: 64 total cpu time spent up to now is 83.8 secs Computing kpt #: 65 total cpu time spent up to now is 84.7 secs Computing kpt #: 66 total cpu time spent up to now is 85.5 secs Computing kpt #: 67 total cpu time spent up to now is 86.4 secs Computing kpt #: 68 total cpu time spent up to now is 87.1 secs Computing kpt #: 69 total cpu time spent up to now is 88.0 secs Computing kpt #: 70 total cpu time spent up to now is 88.7 secs Computing kpt #: 71 total cpu time spent up to now is 89.3 secs Computing kpt #: 72 total cpu time spent up to now is 90.2 secs Computing kpt #: 73 total cpu time spent up to now is 90.8 secs Computing kpt #: 74 total cpu time spent up to now is 91.5 secs Computing kpt #: 75 total cpu time spent up to now is 92.4 secs Computing kpt #: 76 total cpu time spent up to now is 93.1 secs Computing kpt #: 77 total cpu time spent up to now is 93.9 secs Computing kpt #: 78 total cpu time spent up to now is 94.5 secs Computing kpt #: 79 total cpu time spent up to now is 95.2 secs Computing kpt #: 80 total cpu time spent up to now is 95.9 secs Computing kpt #: 81 total cpu time spent up to now is 96.5 secs Computing kpt #: 82 total cpu time spent up to now is 97.2 secs Computing kpt #: 83 total cpu time spent up to now is 97.9 secs Computing kpt #: 84 total cpu time spent up to now is 98.6 secs Computing kpt #: 85 total cpu time spent up to now is 99.3 secs Computing kpt #: 86 total cpu time spent up to now is 99.9 secs Computing kpt #: 87 total cpu time spent up to now is 100.5 secs Computing kpt #: 88 total cpu time spent up to now is 101.1 secs Computing kpt #: 89 total cpu time spent up to now is 101.7 secs Computing kpt #: 90 total cpu time spent up to now is 102.2 secs Computing kpt #: 91 total cpu time spent up to now is 102.8 secs Computing kpt #: 92 total cpu time spent up to now is 103.3 secs Computing kpt #: 93 total cpu time spent up to now is 104.0 secs Computing kpt #: 94 total cpu time spent up to now is 104.5 secs Computing kpt #: 95 total cpu time spent up to now is 105.1 secs Computing kpt #: 96 total cpu time spent up to now is 105.8 secs Computing kpt #: 97 total cpu time spent up to now is 106.4 secs Computing kpt #: 98 total cpu time spent up to now is 106.9 secs Computing kpt #: 99 total cpu time spent up to now is 107.5 secs Computing kpt #: 100 total cpu time spent up to now is 108.0 secs Computing kpt #: 101 total cpu time spent up to now is 108.6 secs Computing kpt #: 102 total cpu time spent up to now is 109.2 secs Computing kpt #: 103 total cpu time spent up to now is 109.8 secs Computing kpt #: 104 total cpu time spent up to now is 110.4 secs Computing kpt #: 105 total cpu time spent up to now is 111.1 secs Computing kpt #: 106 total cpu time spent up to now is 111.8 secs Computing kpt #: 107 total cpu time spent up to now is 112.8 secs Computing kpt #: 108 total cpu time spent up to now is 113.7 secs Computing kpt #: 109 total cpu time spent up to now is 114.6 secs Computing kpt #: 110 total cpu time spent up to now is 115.3 secs Computing kpt #: 111 total cpu time spent up to now is 116.0 secs Computing kpt #: 112 total cpu time spent up to now is 116.6 secs Computing kpt #: 113 total cpu time spent up to now is 117.3 secs Computing kpt #: 114 total cpu time spent up to now is 117.9 secs Computing kpt #: 115 total cpu time spent up to now is 118.5 secs Computing kpt #: 116 total cpu time spent up to now is 119.1 secs Computing kpt #: 117 total cpu time spent up to now is 119.8 secs Computing kpt #: 118 total cpu time spent up to now is 120.6 secs Computing kpt #: 119 total cpu time spent up to now is 121.2 secs Computing kpt #: 120 total cpu time spent up to now is 121.9 secs Computing kpt #: 121 total cpu time spent up to now is 122.6 secs Computing kpt #: 122 total cpu time spent up to now is 123.8 secs Computing kpt #: 123 total cpu time spent up to now is 124.4 secs Computing kpt #: 124 total cpu time spent up to now is 125.0 secs Computing kpt #: 125 total cpu time spent up to now is 125.7 secs Computing kpt #: 126 total cpu time spent up to now is 126.4 secs Computing kpt #: 127 total cpu time spent up to now is 127.2 secs Computing kpt #: 128 total cpu time spent up to now is 127.9 secs Computing kpt #: 129 total cpu time spent up to now is 128.7 secs Computing kpt #: 130 total cpu time spent up to now is 129.3 secs Computing kpt #: 131 total cpu time spent up to now is 130.0 secs Computing kpt #: 132 total cpu time spent up to now is 130.6 secs Computing kpt #: 133 total cpu time spent up to now is 131.4 secs Computing kpt #: 134 total cpu time spent up to now is 132.0 secs Computing kpt #: 135 total cpu time spent up to now is 132.5 secs Computing kpt #: 136 total cpu time spent up to now is 133.1 secs Computing kpt #: 137 total cpu time spent up to now is 133.7 secs Computing kpt #: 138 total cpu time spent up to now is 134.5 secs Computing kpt #: 139 total cpu time spent up to now is 135.4 secs Computing kpt #: 140 total cpu time spent up to now is 136.3 secs Computing kpt #: 141 total cpu time spent up to now is 137.2 secs Computing kpt #: 142 total cpu time spent up to now is 138.4 secs Computing kpt #: 143 total cpu time spent up to now is 139.0 secs Computing kpt #: 144 total cpu time spent up to now is 139.6 secs Computing kpt #: 145 total cpu time spent up to now is 140.1 secs Computing kpt #: 146 total cpu time spent up to now is 140.7 secs Computing kpt #: 147 total cpu time spent up to now is 141.2 secs Computing kpt #: 148 total cpu time spent up to now is 141.8 secs Computing kpt #: 149 total cpu time spent up to now is 142.3 secs Computing kpt #: 150 total cpu time spent up to now is 142.9 secs Computing kpt #: 151 total cpu time spent up to now is 143.4 secs Computing kpt #: 152 total cpu time spent up to now is 144.0 secs Computing kpt #: 153 total cpu time spent up to now is 144.5 secs Computing kpt #: 154 total cpu time spent up to now is 145.1 secs Computing kpt #: 155 total cpu time spent up to now is 145.6 secs Computing kpt #: 156 total cpu time spent up to now is 146.2 secs Computing kpt #: 157 total cpu time spent up to now is 146.7 secs Computing kpt #: 158 total cpu time spent up to now is 147.3 secs Computing kpt #: 159 total cpu time spent up to now is 147.9 secs Computing kpt #: 160 total cpu time spent up to now is 148.5 secs Computing kpt #: 161 total cpu time spent up to now is 149.1 secs Computing kpt #: 162 total cpu time spent up to now is 149.6 secs Computing kpt #: 163 total cpu time spent up to now is 150.3 secs Computing kpt #: 164 total cpu time spent up to now is 150.8 secs Computing kpt #: 165 total cpu time spent up to now is 151.6 secs Computing kpt #: 166 total cpu time spent up to now is 152.5 secs Computing kpt #: 167 total cpu time spent up to now is 153.2 secs Computing kpt #: 168 total cpu time spent up to now is 153.8 secs Computing kpt #: 169 total cpu time spent up to now is 154.5 secs Computing kpt #: 170 total cpu time spent up to now is 155.3 secs Computing kpt #: 171 total cpu time spent up to now is 156.0 secs Computing kpt #: 172 total cpu time spent up to now is 156.7 secs Computing kpt #: 173 total cpu time spent up to now is 157.5 secs Computing kpt #: 174 total cpu time spent up to now is 158.2 secs Computing kpt #: 175 total cpu time spent up to now is 158.9 secs Computing kpt #: 176 total cpu time spent up to now is 159.6 secs Computing kpt #: 177 total cpu time spent up to now is 160.3 secs Computing kpt #: 178 total cpu time spent up to now is 161.2 secs Computing kpt #: 179 total cpu time spent up to now is 162.2 secs Computing kpt #: 180 total cpu time spent up to now is 163.5 secs Computing kpt #: 181 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 165.2 secs Computing kpt #: 182 total cpu time spent up to now is 166.5 secs Computing kpt #: 183 total cpu time spent up to now is 168.1 secs Computing kpt #: 184 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 170.6 secs Computing kpt #: 185 total cpu time spent up to now is 172.0 secs Computing kpt #: 186 total cpu time spent up to now is 173.1 secs Computing kpt #: 187 total cpu time spent up to now is 174.3 secs Computing kpt #: 188 total cpu time spent up to now is 175.4 secs Computing kpt #: 189 total cpu time spent up to now is 176.3 secs Computing kpt #: 190 total cpu time spent up to now is 177.3 secs Computing kpt #: 191 total cpu time spent up to now is 178.3 secs Computing kpt #: 192 total cpu time spent up to now is 179.3 secs Computing kpt #: 193 total cpu time spent up to now is 180.7 secs Computing kpt #: 194 total cpu time spent up to now is 181.9 secs Computing kpt #: 195 total cpu time spent up to now is 182.8 secs Computing kpt #: 196 total cpu time spent up to now is 183.6 secs Computing kpt #: 197 total cpu time spent up to now is 184.8 secs Computing kpt #: 198 total cpu time spent up to now is 185.6 secs Computing kpt #: 199 total cpu time spent up to now is 186.5 secs Computing kpt #: 200 total cpu time spent up to now is 188.4 secs Computing kpt #: 201 total cpu time spent up to now is 189.3 secs Computing kpt #: 202 total cpu time spent up to now is 190.3 secs Computing kpt #: 203 total cpu time spent up to now is 192.1 secs Computing kpt #: 204 total cpu time spent up to now is 193.2 secs Computing kpt #: 205 total cpu time spent up to now is 194.4 secs Computing kpt #: 206 total cpu time spent up to now is 195.6 secs Computing kpt #: 207 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 197.9 secs Computing kpt #: 208 total cpu time spent up to now is 199.9 secs Computing kpt #: 209 total cpu time spent up to now is 201.3 secs Computing kpt #: 210 total cpu time spent up to now is 202.5 secs Computing kpt #: 211 total cpu time spent up to now is 203.6 secs Computing kpt #: 212 total cpu time spent up to now is 204.5 secs Computing kpt #: 213 total cpu time spent up to now is 205.4 secs Computing kpt #: 214 total cpu time spent up to now is 206.4 secs Computing kpt #: 215 total cpu time spent up to now is 207.3 secs Computing kpt #: 216 total cpu time spent up to now is 208.0 secs Computing kpt #: 217 total cpu time spent up to now is 208.7 secs Computing kpt #: 218 total cpu time spent up to now is 209.4 secs Computing kpt #: 219 total cpu time spent up to now is 210.1 secs Computing kpt #: 220 total cpu time spent up to now is 210.8 secs Computing kpt #: 221 total cpu time spent up to now is 211.5 secs Computing kpt #: 222 total cpu time spent up to now is 212.1 secs Computing kpt #: 223 total cpu time spent up to now is 212.7 secs Computing kpt #: 224 total cpu time spent up to now is 213.4 secs Computing kpt #: 225 total cpu time spent up to now is 214.0 secs Computing kpt #: 226 total cpu time spent up to now is 214.7 secs Computing kpt #: 227 total cpu time spent up to now is 215.4 secs Computing kpt #: 228 total cpu time spent up to now is 216.1 secs Computing kpt #: 229 total cpu time spent up to now is 216.7 secs Computing kpt #: 230 total cpu time spent up to now is 217.4 secs Computing kpt #: 231 total cpu time spent up to now is 218.1 secs Computing kpt #: 232 total cpu time spent up to now is 218.8 secs Computing kpt #: 233 total cpu time spent up to now is 219.5 secs Computing kpt #: 234 total cpu time spent up to now is 220.1 secs Computing kpt #: 235 total cpu time spent up to now is 220.8 secs Computing kpt #: 236 total cpu time spent up to now is 221.5 secs Computing kpt #: 237 total cpu time spent up to now is 222.1 secs Computing kpt #: 238 total cpu time spent up to now is 222.7 secs Computing kpt #: 239 total cpu time spent up to now is 223.5 secs Computing kpt #: 240 total cpu time spent up to now is 224.2 secs Computing kpt #: 241 total cpu time spent up to now is 224.9 secs Computing kpt #: 242 total cpu time spent up to now is 225.6 secs Computing kpt #: 243 total cpu time spent up to now is 226.2 secs Computing kpt #: 244 total cpu time spent up to now is 226.9 secs Computing kpt #: 245 total cpu time spent up to now is 227.5 secs Computing kpt #: 246 total cpu time spent up to now is 228.2 secs Computing kpt #: 247 total cpu time spent up to now is 228.8 secs Computing kpt #: 248 total cpu time spent up to now is 229.5 secs Computing kpt #: 249 total cpu time spent up to now is 230.2 secs Computing kpt #: 250 total cpu time spent up to now is 230.9 secs Computing kpt #: 251 total cpu time spent up to now is 231.6 secs Computing kpt #: 252 total cpu time spent up to now is 232.2 secs Computing kpt #: 253 total cpu time spent up to now is 232.9 secs Computing kpt #: 254 total cpu time spent up to now is 233.5 secs Computing kpt #: 255 total cpu time spent up to now is 234.2 secs Computing kpt #: 256 total cpu time spent up to now is 234.9 secs Computing kpt #: 257 total cpu time spent up to now is 235.6 secs Computing kpt #: 258 total cpu time spent up to now is 236.5 secs Computing kpt #: 259 total cpu time spent up to now is 237.3 secs Computing kpt #: 260 total cpu time spent up to now is 238.0 secs Computing kpt #: 261 total cpu time spent up to now is 239.1 secs Computing kpt #: 262 total cpu time spent up to now is 239.7 secs Computing kpt #: 263 total cpu time spent up to now is 240.3 secs Computing kpt #: 264 total cpu time spent up to now is 240.9 secs Computing kpt #: 265 total cpu time spent up to now is 241.5 secs Computing kpt #: 266 total cpu time spent up to now is 242.3 secs Computing kpt #: 267 total cpu time spent up to now is 242.9 secs Computing kpt #: 268 total cpu time spent up to now is 243.5 secs Computing kpt #: 269 total cpu time spent up to now is 244.0 secs Computing kpt #: 270 total cpu time spent up to now is 244.6 secs Computing kpt #: 271 total cpu time spent up to now is 245.1 secs Computing kpt #: 272 total cpu time spent up to now is 245.7 secs Computing kpt #: 273 total cpu time spent up to now is 246.3 secs Computing kpt #: 274 total cpu time spent up to now is 246.8 secs Computing kpt #: 275 total cpu time spent up to now is 247.8 secs Computing kpt #: 276 total cpu time spent up to now is 248.7 secs Computing kpt #: 277 total cpu time spent up to now is 249.4 secs Computing kpt #: 278 total cpu time spent up to now is 250.2 secs Computing kpt #: 279 total cpu time spent up to now is 250.9 secs Computing kpt #: 280 total cpu time spent up to now is 251.6 secs Computing kpt #: 281 total cpu time spent up to now is 252.3 secs Computing kpt #: 282 total cpu time spent up to now is 253.0 secs Computing kpt #: 283 total cpu time spent up to now is 253.7 secs Computing kpt #: 284 total cpu time spent up to now is 254.4 secs Computing kpt #: 285 total cpu time spent up to now is 255.2 secs Computing kpt #: 286 total cpu time spent up to now is 255.9 secs Computing kpt #: 287 total cpu time spent up to now is 256.8 secs Computing kpt #: 288 total cpu time spent up to now is 257.6 secs Computing kpt #: 289 total cpu time spent up to now is 258.4 secs Computing kpt #: 290 total cpu time spent up to now is 259.1 secs Computing kpt #: 291 total cpu time spent up to now is 259.9 secs Computing kpt #: 292 total cpu time spent up to now is 260.5 secs Computing kpt #: 293 total cpu time spent up to now is 261.2 secs Computing kpt #: 294 total cpu time spent up to now is 261.8 secs Computing kpt #: 295 total cpu time spent up to now is 262.4 secs Computing kpt #: 296 total cpu time spent up to now is 263.0 secs Computing kpt #: 297 total cpu time spent up to now is 263.6 secs Computing kpt #: 298 total cpu time spent up to now is 264.2 secs Computing kpt #: 299 total cpu time spent up to now is 264.8 secs Computing kpt #: 300 total cpu time spent up to now is 265.4 secs Computing kpt #: 301 total cpu time spent up to now is 265.9 secs Computing kpt #: 302 total cpu time spent up to now is 266.5 secs Computing kpt #: 303 total cpu time spent up to now is 267.2 secs Computing kpt #: 304 total cpu time spent up to now is 267.8 secs Computing kpt #: 305 total cpu time spent up to now is 268.3 secs Computing kpt #: 306 total cpu time spent up to now is 268.9 secs Computing kpt #: 307 total cpu time spent up to now is 269.6 secs Computing kpt #: 308 total cpu time spent up to now is 270.5 secs Computing kpt #: 309 total cpu time spent up to now is 271.6 secs Computing kpt #: 310 total cpu time spent up to now is 272.6 secs Computing kpt #: 311 total cpu time spent up to now is 273.7 secs Computing kpt #: 312 total cpu time spent up to now is 274.8 secs Computing kpt #: 313 total cpu time spent up to now is 275.8 secs Computing kpt #: 314 total cpu time spent up to now is 276.6 secs Computing kpt #: 315 total cpu time spent up to now is 277.4 secs Computing kpt #: 316 total cpu time spent up to now is 278.1 secs Computing kpt #: 317 total cpu time spent up to now is 278.8 secs Computing kpt #: 318 total cpu time spent up to now is 279.6 secs Computing kpt #: 319 total cpu time spent up to now is 280.2 secs Computing kpt #: 320 total cpu time spent up to now is 280.7 secs Computing kpt #: 321 total cpu time spent up to now is 281.3 secs Computing kpt #: 322 total cpu time spent up to now is 282.0 secs Computing kpt #: 323 total cpu time spent up to now is 282.6 secs Computing kpt #: 324 total cpu time spent up to now is 283.3 secs Computing kpt #: 325 total cpu time spent up to now is 283.9 secs Computing kpt #: 326 total cpu time spent up to now is 284.6 secs Computing kpt #: 327 total cpu time spent up to now is 285.2 secs Computing kpt #: 328 total cpu time spent up to now is 285.9 secs Computing kpt #: 329 total cpu time spent up to now is 286.5 secs Computing kpt #: 330 total cpu time spent up to now is 287.1 secs Computing kpt #: 331 total cpu time spent up to now is 287.8 secs Computing kpt #: 332 total cpu time spent up to now is 288.4 secs Computing kpt #: 333 total cpu time spent up to now is 289.2 secs Computing kpt #: 334 total cpu time spent up to now is 290.0 secs Computing kpt #: 335 total cpu time spent up to now is 290.6 secs Computing kpt #: 336 total cpu time spent up to now is 291.2 secs Computing kpt #: 337 total cpu time spent up to now is 291.9 secs Computing kpt #: 338 total cpu time spent up to now is 292.4 secs ethr = 3.85E-11, avg # of iterations = 27.8 total cpu time spent up to now is 292.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2775 PWs) bands (ev): -24.9402 -24.9402 -8.5979 -8.5979 -8.3419 -8.3419 -8.3207 -8.3207 -5.3658 -5.3658 -1.6728 -1.6728 -1.4763 -1.4763 -1.3790 -1.3790 -1.1684 -1.1684 -1.1177 -1.1177 3.9945 3.9945 5.3620 5.3620 5.5245 5.5245 5.8508 5.8508 7.7502 7.7502 10.3933 10.3933 10.4653 10.4653 k = 0.0116 0.0067-0.0000 ( 2775 PWs) bands (ev): -24.9402 -24.9402 -8.5979 -8.5979 -8.3420 -8.3420 -8.3208 -8.3208 -5.3649 -5.3649 -1.6727 -1.6727 -1.4764 -1.4764 -1.3788 -1.3788 -1.1684 -1.1684 -1.1177 -1.1177 3.9953 3.9953 5.3370 5.3370 5.4973 5.4973 5.8970 5.8970 7.7550 7.7550 10.3908 10.3908 10.4634 10.4634 k = 0.0233 0.0134-0.0000 ( 2765 PWs) bands (ev): -24.9402 -24.9402 -8.5981 -8.5981 -8.3421 -8.3421 -8.3213 -8.3213 -5.3619 -5.3619 -1.6724 -1.6724 -1.4766 -1.4766 -1.3783 -1.3783 -1.1685 -1.1685 -1.1175 -1.1175 3.9976 3.9976 5.2565 5.2565 5.4598 5.4598 5.9970 5.9970 7.7694 7.7694 10.3775 10.3775 10.4643 10.4643 k = 0.0349 0.0201-0.0000 ( 2761 PWs) bands (ev): -24.9401 -24.9401 -8.5985 -8.5985 -8.3422 -8.3422 -8.3221 -8.3221 -5.3570 -5.3570 -1.6719 -1.6719 -1.4770 -1.4770 -1.3773 -1.3773 -1.1688 -1.1688 -1.1173 -1.1173 4.0014 4.0014 5.1363 5.1363 5.4342 5.4342 6.1126 6.1126 7.7933 7.7933 10.3467 10.3467 10.4773 10.4773 k = 0.0465 0.0269-0.0000 ( 2757 PWs) bands (ev): -24.9400 -24.9400 -8.5991 -8.5991 -8.3425 -8.3425 -8.3232 -8.3232 -5.3502 -5.3502 -1.6712 -1.6712 -1.4775 -1.4775 -1.3760 -1.3760 -1.1691 -1.1691 -1.1170 -1.1170 4.0066 4.0066 4.9987 4.9987 5.4118 5.4118 6.2306 6.2306 7.8265 7.8265 10.3012 10.3012 10.5027 10.5027 k = 0.0581 0.0336-0.0000 ( 2749 PWs) bands (ev): -24.9398 -24.9398 -8.5997 -8.5997 -8.3429 -8.3429 -8.3245 -8.3245 -5.3415 -5.3415 -1.6703 -1.6703 -1.4781 -1.4781 -1.3744 -1.3744 -1.1695 -1.1695 -1.1166 -1.1166 4.0133 4.0133 4.8531 4.8531 5.3878 5.3878 6.3459 6.3459 7.8686 7.8686 10.2473 10.2473 10.5381 10.5381 k = 0.0698 0.0403-0.0000 ( 2749 PWs) bands (ev): -24.9396 -24.9396 -8.6006 -8.6006 -8.3434 -8.3434 -8.3261 -8.3261 -5.3309 -5.3309 -1.6692 -1.6692 -1.4789 -1.4789 -1.3725 -1.3725 -1.1701 -1.1701 -1.1161 -1.1161 4.0213 4.0213 4.7036 4.7036 5.3610 5.3610 6.4563 6.4563 7.9189 7.9189 10.1896 10.1896 10.5821 10.5821 k = 0.0814 0.0470-0.0000 ( 2747 PWs) bands (ev): -24.9394 -24.9394 -8.6016 -8.6016 -8.3441 -8.3441 -8.3278 -8.3278 -5.3185 -5.3185 -1.6679 -1.6679 -1.4797 -1.4797 -1.3702 -1.3702 -1.1707 -1.1707 -1.1156 -1.1156 4.0305 4.0305 4.5522 4.5522 5.3309 5.3309 6.5607 6.5607 7.9762 7.9762 10.1323 10.1323 10.6338 10.6338 k = 0.0930 0.0537-0.0000 ( 2743 PWs) bands (ev): -24.9392 -24.9392 -8.6028 -8.6028 -8.3451 -8.3451 -8.3295 -8.3295 -5.3042 -5.3042 -1.6665 -1.6665 -1.4806 -1.4806 -1.3676 -1.3676 -1.1714 -1.1714 -1.1149 -1.1149 4.0402 4.0402 4.4003 4.4003 5.2976 5.2976 6.6585 6.6585 8.0390 8.0390 10.0789 10.0789 10.6927 10.6927 k = 0.1047 0.0604-0.0000 ( 2747 PWs) bands (ev): -24.9390 -24.9390 -8.6041 -8.6041 -8.3464 -8.3464 -8.3312 -8.3312 -5.2883 -5.2883 -1.6648 -1.6648 -1.4816 -1.4816 -1.3647 -1.3647 -1.1722 -1.1722 -1.1142 -1.1142 4.0484 4.0484 4.2510 4.2510 5.2613 5.2613 6.7499 6.7499 8.1048 8.1048 10.0328 10.0328 10.7581 10.7581 k = 0.1163 0.0671-0.0000 ( 2747 PWs) bands (ev): -24.9387 -24.9387 -8.6057 -8.6057 -8.3481 -8.3481 -8.3327 -8.3327 -5.2706 -5.2706 -1.6630 -1.6630 -1.4826 -1.4826 -1.3615 -1.3615 -1.1730 -1.1730 -1.1134 -1.1134 4.0339 4.0339 4.1258 4.1258 5.2224 5.2224 6.8349 6.8349 8.1708 8.1708 9.9974 9.9974 10.8294 10.8294 k = 0.1279 0.0738-0.0000 ( 2743 PWs) bands (ev): -24.9384 -24.9384 -8.6073 -8.6073 -8.3503 -8.3503 -8.3340 -8.3340 -5.2513 -5.2513 -1.6610 -1.6610 -1.4836 -1.4836 -1.3581 -1.3581 -1.1739 -1.1739 -1.1124 -1.1124 3.9196 3.9196 4.1020 4.1020 5.1811 5.1811 6.9142 6.9142 8.2337 8.2337 9.9758 9.9758 10.9062 10.9062 k = 0.1395 0.0806-0.0000 ( 2739 PWs) bands (ev): -24.9381 -24.9381 -8.6092 -8.6092 -8.3529 -8.3529 -8.3350 -8.3350 -5.2305 -5.2305 -1.6587 -1.6587 -1.4846 -1.4846 -1.3543 -1.3543 -1.1749 -1.1749 -1.1113 -1.1113 3.7722 3.7722 4.1134 4.1134 5.1379 5.1379 6.9883 6.9883 8.2903 8.2903 9.9712 9.9712 10.9877 10.9877 k = 0.1512 0.0873-0.0000 ( 2735 PWs) bands (ev): -24.9377 -24.9377 -8.6112 -8.6112 -8.3558 -8.3558 -8.3358 -8.3358 -5.2082 -5.2082 -1.6563 -1.6563 -1.4856 -1.4856 -1.3503 -1.3503 -1.1758 -1.1758 -1.1102 -1.1102 3.6217 3.6217 4.1302 4.1302 5.0929 5.0929 7.0577 7.0577 8.3377 8.3377 9.9860 9.9860 11.0702 11.0702 k = 0.1628 0.0940-0.0000 ( 2741 PWs) bands (ev): -24.9374 -24.9374 -8.6134 -8.6134 -8.3591 -8.3591 -8.3365 -8.3365 -5.1844 -5.1844 -1.6538 -1.6538 -1.4865 -1.4865 -1.3462 -1.3462 -1.1768 -1.1768 -1.1089 -1.1089 3.4713 3.4713 4.1492 4.1492 5.0467 5.0467 7.1227 7.1227 8.3742 8.3742 10.0213 10.0213 10.9685 10.9685 k = 0.1744 0.1007-0.0000 ( 2739 PWs) bands (ev): -24.9370 -24.9370 -8.6157 -8.6157 -8.3626 -8.3626 -8.3369 -8.3369 -5.1594 -5.1594 -1.6510 -1.6510 -1.4874 -1.4874 -1.3417 -1.3417 -1.1779 -1.1779 -1.1075 -1.1075 3.3218 3.3218 4.1700 4.1700 4.9994 4.9994 7.1837 7.1837 8.3993 8.3993 10.0771 10.0771 10.8357 10.8357 k = 0.1860 0.1074-0.0000 ( 2729 PWs) bands (ev): -24.9366 -24.9366 -8.6182 -8.6182 -8.3662 -8.3662 -8.3373 -8.3373 -5.1332 -5.1332 -1.6480 -1.6480 -1.4882 -1.4882 -1.3370 -1.3370 -1.1788 -1.1788 -1.1059 -1.1059 3.1737 3.1737 4.1922 4.1922 4.9515 4.9515 7.2405 7.2405 8.4143 8.4143 10.1514 10.1514 10.7030 10.7030 k = 0.1977 0.1141-0.0000 ( 2735 PWs) bands (ev): -24.9362 -24.9362 -8.6209 -8.6209 -8.3700 -8.3700 -8.3375 -8.3375 -5.1059 -5.1059 -1.6449 -1.6449 -1.4889 -1.4889 -1.3322 -1.3322 -1.1799 -1.1799 -1.1042 -1.1042 3.0271 3.0271 4.2157 4.2157 4.9033 4.9033 7.2929 7.2929 8.4215 8.4215 10.2405 10.2405 10.5720 10.5720 k = 0.2093 0.1208-0.0000 ( 2739 PWs) bands (ev): -24.9358 -24.9358 -8.6237 -8.6237 -8.3738 -8.3738 -8.3377 -8.3377 -5.0776 -5.0776 -1.6416 -1.6416 -1.4895 -1.4895 -1.3272 -1.3272 -1.1809 -1.1809 -1.1023 -1.1023 2.8825 2.8825 4.2403 4.2403 4.8550 4.8550 7.3405 7.3405 8.4239 8.4239 10.3324 10.3324 10.4511 10.4511 k = 0.2209 0.1276-0.0000 ( 2739 PWs) bands (ev): -24.9354 -24.9354 -8.6267 -8.6267 -8.3777 -8.3777 -8.3378 -8.3378 -5.0484 -5.0484 -1.6380 -1.6380 -1.4900 -1.4900 -1.3219 -1.3219 -1.1818 -1.1818 -1.1002 -1.1002 2.7399 2.7399 4.2659 4.2659 4.8071 4.8071 7.3824 7.3824 8.4249 8.4249 10.2936 10.2936 10.4700 10.4700 k = 0.2326 0.1343-0.0000 ( 2739 PWs) bands (ev): -24.9349 -24.9349 -8.6298 -8.6298 -8.3815 -8.3815 -8.3379 -8.3379 -5.0185 -5.0185 -1.6343 -1.6343 -1.4904 -1.4904 -1.3166 -1.3166 -1.1827 -1.1827 -1.0979 -1.0979 2.5996 2.5996 4.2922 4.2922 4.7597 4.7597 7.4179 7.4179 8.4275 8.4275 10.1706 10.1706 10.5772 10.5772 k = 0.2442 0.1410-0.0000 ( 2747 PWs) bands (ev): -24.9345 -24.9345 -8.6330 -8.6330 -8.3853 -8.3853 -8.3379 -8.3379 -4.9880 -4.9880 -1.6305 -1.6305 -1.4906 -1.4906 -1.3111 -1.3111 -1.1836 -1.1836 -1.0954 -1.0954 2.4618 2.4618 4.3191 4.3191 4.7133 4.7133 7.4460 7.4460 8.4345 8.4345 10.0452 10.0452 10.6844 10.6844 k = 0.2558 0.1477-0.0000 ( 2743 PWs) bands (ev): -24.9341 -24.9341 -8.6362 -8.6362 -8.3890 -8.3890 -8.3379 -8.3379 -4.9570 -4.9570 -1.6264 -1.6264 -1.4906 -1.4906 -1.3055 -1.3055 -1.1843 -1.1843 -1.0926 -1.0926 2.3266 2.3266 4.3463 4.3463 4.6684 4.6684 7.4662 7.4662 8.4480 8.4480 9.9215 9.9215 10.7799 10.7799 k = 0.2674 0.1544-0.0000 ( 2739 PWs) bands (ev): -24.9337 -24.9337 -8.6395 -8.6395 -8.3926 -8.3926 -8.3379 -8.3379 -4.9257 -4.9257 -1.6222 -1.6222 -1.4905 -1.4905 -1.2999 -1.2999 -1.1850 -1.1850 -1.0894 -1.0894 2.1943 2.1943 4.3729 4.3729 4.6258 4.6258 7.4783 7.4783 8.4693 8.4693 9.8002 9.8002 10.8544 10.8544 k = 0.2791 0.1611-0.0000 ( 2733 PWs) bands (ev): -24.9332 -24.9332 -8.6429 -8.6429 -8.3961 -8.3961 -8.3378 -8.3378 -4.8942 -4.8942 -1.6179 -1.6179 -1.4901 -1.4901 -1.2942 -1.2942 -1.1855 -1.1855 -1.0859 -1.0859 2.0651 2.0651 4.3975 4.3975 4.5869 4.5869 7.4825 7.4825 8.4989 8.4989 9.6819 9.6819 10.9022 10.9022 k = 0.2907 0.1678-0.0000 ( 2733 PWs) bands (ev): -24.9328 -24.9328 -8.6463 -8.6463 -8.3995 -8.3995 -8.3377 -8.3377 -4.8628 -4.8628 -1.6135 -1.6135 -1.4896 -1.4896 -1.2886 -1.2886 -1.1859 -1.1859 -1.0821 -1.0821 1.9391 1.9391 4.4166 4.4166 4.5554 4.5554 7.4796 7.4796 8.5368 8.5368 9.5668 9.5668 10.9237 10.9237 k = 0.3023 0.1745-0.0000 ( 2729 PWs) bands (ev): -24.9324 -24.9324 -8.6497 -8.6497 -8.4028 -8.4028 -8.3375 -8.3375 -4.8316 -4.8316 -1.6090 -1.6090 -1.4888 -1.4888 -1.2830 -1.2830 -1.1862 -1.1862 -1.0778 -1.0778 1.8167 1.8167 4.4219 4.4219 4.5395 4.5395 7.4708 7.4708 8.5821 8.5821 9.4554 9.4554 10.9247 10.9247 k = 0.3140 0.1813-0.0000 ( 2729 PWs) bands (ev): -24.9320 -24.9320 -8.6531 -8.6531 -8.4058 -8.4058 -8.3374 -8.3374 -4.8007 -4.8007 -1.6046 -1.6046 -1.4877 -1.4877 -1.2775 -1.2775 -1.1863 -1.1863 -1.0730 -1.0730 1.6980 1.6980 4.4074 4.4074 4.5452 4.5452 7.4572 7.4572 8.6339 8.6339 9.3478 9.3478 10.9116 10.9116 k = 0.3256 0.1880-0.0000 ( 2729 PWs) bands (ev): -24.9316 -24.9316 -8.6565 -8.6565 -8.4088 -8.4088 -8.3372 -8.3372 -4.7704 -4.7704 -1.6002 -1.6002 -1.4864 -1.4864 -1.2722 -1.2722 -1.1863 -1.1863 -1.0677 -1.0677 1.5833 1.5833 4.3807 4.3807 4.5649 4.5649 7.4401 7.4401 8.6910 8.6910 9.2444 9.2444 10.8895 10.8895 k = 0.3372 0.1947-0.0000 ( 2739 PWs) bands (ev): -24.9312 -24.9312 -8.6598 -8.6598 -8.4115 -8.4115 -8.3371 -8.3371 -4.7408 -4.7408 -1.5959 -1.5959 -1.4848 -1.4848 -1.2671 -1.2671 -1.1862 -1.1862 -1.0618 -1.0618 1.4730 1.4730 4.3499 4.3499 4.5905 4.5905 7.4207 7.4207 8.7522 8.7522 9.1455 9.1455 10.8619 10.8619 k = 0.3488 0.2014-0.0000 ( 2735 PWs) bands (ev): -24.9309 -24.9309 -8.6630 -8.6630 -8.4141 -8.4141 -8.3369 -8.3369 -4.7122 -4.7122 -1.5917 -1.5917 -1.4829 -1.4829 -1.2623 -1.2623 -1.1858 -1.1858 -1.0553 -1.0553 1.3672 1.3672 4.3186 4.3186 4.6181 4.6181 7.4000 7.4000 8.8164 8.8164 9.0514 9.0514 10.8310 10.8310 k = 0.3605 0.2081-0.0000 ( 2733 PWs) bands (ev): -24.9305 -24.9305 -8.6660 -8.6660 -8.4165 -8.4165 -8.3367 -8.3367 -4.6847 -4.6847 -1.5878 -1.5878 -1.4808 -1.4808 -1.2578 -1.2578 -1.1853 -1.1853 -1.0482 -1.0482 1.2664 1.2664 4.2882 4.2882 4.6462 4.6462 7.3786 7.3786 8.8824 8.8824 8.9627 8.9627 10.7981 10.7981 k = 0.3721 0.2148-0.0000 ( 2729 PWs) bands (ev): -24.9302 -24.9302 -8.6689 -8.6689 -8.4187 -8.4187 -8.3365 -8.3365 -4.6584 -4.6584 -1.5842 -1.5842 -1.4784 -1.4784 -1.2536 -1.2536 -1.1847 -1.1847 -1.0405 -1.0405 1.1708 1.1708 4.2594 4.2594 4.6742 4.6742 7.3573 7.3573 8.8783 8.8783 8.9503 8.9503 10.7644 10.7644 k = 0.3837 0.2215-0.0000 ( 2723 PWs) bands (ev): -24.9299 -24.9299 -8.6717 -8.6717 -8.4207 -8.4207 -8.3363 -8.3363 -4.6337 -4.6337 -1.5808 -1.5808 -1.4759 -1.4759 -1.2499 -1.2499 -1.1839 -1.1839 -1.0322 -1.0322 1.0810 1.0810 4.2325 4.2325 4.7013 4.7013 7.3367 7.3367 8.8007 8.8007 9.0171 9.0171 10.7303 10.7303 k = 0.3953 0.2283-0.0000 ( 2730 PWs) bands (ev): -24.9296 -24.9296 -8.6742 -8.6742 -8.4226 -8.4226 -8.3361 -8.3361 -4.6107 -4.6107 -1.5778 -1.5778 -1.4732 -1.4732 -1.2465 -1.2465 -1.1831 -1.1831 -1.0235 -1.0235 0.9974 0.9974 4.2077 4.2077 4.7272 4.7272 7.3171 7.3171 8.7289 8.7289 9.0831 9.0831 10.6966 10.6966 k = 0.4070 0.2350-0.0000 ( 2726 PWs) bands (ev): -24.9294 -24.9294 -8.6766 -8.6766 -8.4242 -8.4242 -8.3359 -8.3359 -4.5896 -4.5896 -1.5752 -1.5752 -1.4705 -1.4705 -1.2436 -1.2436 -1.1822 -1.1822 -1.0144 -1.0144 0.9203 0.9203 4.1853 4.1853 4.7516 4.7516 7.2989 7.2989 8.6635 8.6635 9.1472 9.1472 10.6636 10.6636 k = 0.4186 0.2417-0.0000 ( 2724 PWs) bands (ev): -24.9292 -24.9292 -8.6787 -8.6787 -8.4256 -8.4256 -8.3358 -8.3358 -4.5705 -4.5705 -1.5729 -1.5729 -1.4678 -1.4678 -1.2410 -1.2410 -1.1813 -1.1813 -1.0053 -1.0053 0.8504 0.8504 4.1652 4.1652 4.7740 4.7740 7.2823 7.2823 8.6049 8.6049 9.2082 9.2082 10.6319 10.6319 k = 0.4302 0.2484-0.0000 ( 2724 PWs) bands (ev): -24.9290 -24.9290 -8.6806 -8.6806 -8.4269 -8.4269 -8.3356 -8.3356 -4.5536 -4.5536 -1.5709 -1.5709 -1.4653 -1.4653 -1.2389 -1.2389 -1.1805 -1.1805 -0.9964 -0.9964 0.7882 0.7882 4.1477 4.1477 4.7942 4.7942 7.2676 7.2676 8.5533 8.5533 9.2650 9.2650 10.6020 10.6020 k = 0.4419 0.2551-0.0000 ( 2724 PWs) bands (ev): -24.9288 -24.9288 -8.6822 -8.6822 -8.4280 -8.4280 -8.3355 -8.3355 -4.5390 -4.5390 -1.5693 -1.5693 -1.4630 -1.4630 -1.2371 -1.2371 -1.1797 -1.1797 -0.9879 -0.9879 0.7342 0.7342 4.1328 4.1328 4.8119 4.8119 7.2549 7.2549 8.5090 8.5090 9.3164 9.3164 10.5745 10.5745 k = 0.4535 0.2618-0.0000 ( 2716 PWs) bands (ev): -24.9286 -24.9286 -8.6835 -8.6835 -8.4288 -8.4288 -8.3354 -8.3354 -4.5269 -4.5269 -1.5680 -1.5680 -1.4609 -1.4609 -1.2357 -1.2357 -1.1790 -1.1790 -0.9803 -0.9803 0.6891 0.6891 4.1205 4.1205 4.8267 4.8267 7.2443 7.2443 8.4723 8.4723 9.3611 9.3611 10.5503 10.5503 k = 0.4651 0.2685-0.0000 ( 2710 PWs) bands (ev): -24.9285 -24.9285 -8.6846 -8.6846 -8.4295 -8.4295 -8.3353 -8.3353 -4.5174 -4.5174 -1.5670 -1.5670 -1.4592 -1.4592 -1.2346 -1.2346 -1.1784 -1.1784 -0.9739 -0.9739 0.6533 0.6533 4.1109 4.1109 4.8386 4.8386 7.2361 7.2361 8.4435 8.4435 9.3977 9.3977 10.5301 10.5301 k = 0.4767 0.2752-0.0000 ( 2704 PWs) bands (ev): -24.9284 -24.9284 -8.6853 -8.6853 -8.4300 -8.4300 -8.3352 -8.3352 -4.5105 -4.5105 -1.5663 -1.5663 -1.4580 -1.4580 -1.2338 -1.2338 -1.1780 -1.1780 -0.9690 -0.9690 0.6274 0.6274 4.1040 4.1040 4.8472 4.8472 7.2301 7.2301 8.4228 8.4228 9.4251 9.4251 10.5148 10.5148 k = 0.4884 0.2820-0.0000 ( 2702 PWs) bands (ev): -24.9284 -24.9284 -8.6858 -8.6858 -8.4302 -8.4302 -8.3352 -8.3352 -4.5064 -4.5064 -1.5659 -1.5659 -1.4572 -1.4572 -1.2333 -1.2333 -1.1778 -1.1778 -0.9660 -0.9660 0.6116 0.6116 4.0999 4.0999 4.8524 4.8524 7.2265 7.2265 8.4103 8.4103 9.4420 9.4420 10.5053 10.5053 k = 0.5000 0.2887-0.0000 ( 2702 PWs) bands (ev): -24.9284 -24.9284 -8.6859 -8.6859 -8.4303 -8.4303 -8.3351 -8.3351 -4.5050 -4.5050 -1.5657 -1.5657 -1.4569 -1.4569 -1.2332 -1.2332 -1.1777 -1.1777 -0.9649 -0.9649 0.6064 0.6064 4.0985 4.0985 4.8541 4.8541 7.2253 7.2253 8.4062 8.4062 9.4477 9.4477 10.5020 10.5020 k = 0.5000 0.2887-0.0000 ( 2702 PWs) bands (ev): -24.9284 -24.9284 -8.6859 -8.6859 -8.4303 -8.4303 -8.3351 -8.3351 -4.5050 -4.5050 -1.5657 -1.5657 -1.4569 -1.4569 -1.2332 -1.2332 -1.1777 -1.1777 -0.9649 -0.9649 0.6064 0.6064 4.0985 4.0985 4.8541 4.8541 7.2253 7.2253 8.4062 8.4062 9.4477 9.4477 10.5020 10.5020 k = 0.4933 0.3002-0.0000 ( 2702 PWs) bands (ev): -24.9284 -24.9284 -8.6862 -8.6856 -8.4308 -8.4300 -8.3352 -8.3352 -4.5051 -4.5042 -1.5671 -1.5645 -1.4648 -1.4488 -1.2346 -1.2318 -1.1791 -1.1764 -0.9708 -0.9583 0.6063 0.6080 4.0865 4.0909 4.8543 4.8555 7.2359 7.2396 8.4030 8.4032 9.4491 9.4496 10.5017 10.5034 k = 0.4867 0.3118-0.0000 ( 2716 PWs) bands (ev): -24.9284 -24.9284 -8.6864 -8.6852 -8.4314 -8.4298 -8.3355 -8.3353 -4.5045 -4.5028 -1.5685 -1.5633 -1.4726 -1.4405 -1.2361 -1.2304 -1.1806 -1.1754 -0.9760 -0.9511 0.6079 0.6112 4.0554 4.0640 4.8561 4.8585 7.2709 7.2784 8.3939 8.3941 9.4538 9.4549 10.5025 10.5061 k = 0.4800 0.3233-0.0000 ( 2714 PWs) bands (ev): -24.9283 -24.9283 -8.6865 -8.6847 -8.4321 -8.4297 -8.3358 -8.3356 -4.5031 -4.5006 -1.5699 -1.5622 -1.4799 -1.4320 -1.2376 -1.2290 -1.1822 -1.1745 -0.9804 -0.9432 0.6109 0.6159 4.0066 4.0192 4.8595 4.8630 7.3289 7.3399 8.3788 8.3792 9.4617 9.4634 10.5046 10.5101 k = 0.4733 0.3349-0.0000 ( 2710 PWs) bands (ev): -24.9283 -24.9283 -8.6866 -8.6841 -8.4329 -8.4297 -8.3363 -8.3359 -4.5011 -4.4977 -1.5713 -1.5611 -1.4868 -1.4235 -1.2390 -1.2277 -1.1839 -1.1737 -0.9840 -0.9347 0.6155 0.6223 3.9425 3.9587 4.8648 4.8691 7.4074 7.4219 8.3583 8.3588 9.4727 9.4750 10.5082 10.5157 k = 0.4667 0.3464-0.0000 ( 2706 PWs) bands (ev): -24.9282 -24.9282 -8.6865 -8.6835 -8.4338 -8.4298 -8.3369 -8.3363 -4.4984 -4.4942 -1.5727 -1.5603 -1.4934 -1.4148 -1.2404 -1.2265 -1.1857 -1.1732 -0.9868 -0.9257 0.6216 0.6301 3.8655 3.8850 4.8717 4.8767 7.5037 7.5216 8.3327 8.3332 9.4865 9.4896 10.5137 10.5233 k = 0.4600 0.3580-0.0000 ( 2710 PWs) bands (ev): -24.9282 -24.9282 -8.6865 -8.6829 -8.4349 -8.4300 -8.3375 -8.3369 -4.4951 -4.4900 -1.5741 -1.5596 -1.4995 -1.4062 -1.2418 -1.2254 -1.1875 -1.1729 -0.9888 -0.9161 0.6290 0.6394 3.7782 3.8007 4.8802 4.8858 7.6150 7.6361 8.3025 8.3031 9.5030 9.5068 10.5216 10.5335 k = 0.4533 0.3695-0.0000 ( 2714 PWs) bands (ev): -24.9281 -24.9281 -8.6864 -8.6821 -8.4361 -8.4304 -8.3382 -8.3375 -4.4912 -4.4853 -1.5755 -1.5590 -1.5051 -1.3975 -1.2431 -1.2243 -1.1894 -1.1729 -0.9901 -0.9062 0.6377 0.6501 3.6830 3.7084 4.8904 4.8964 7.7382 7.7627 8.2684 8.2691 9.5218 9.5265 10.5323 10.5469 k = 0.4467 0.3811-0.0000 ( 2714 PWs) bands (ev): -24.9281 -24.9281 -8.6862 -8.6814 -8.4373 -8.4308 -8.3390 -8.3381 -4.4868 -4.4801 -1.5768 -1.5587 -1.5103 -1.3890 -1.2443 -1.2233 -1.1912 -1.1729 -0.9907 -0.8959 0.6476 0.6621 3.5822 3.6104 4.9020 4.9083 7.8705 7.8984 8.2311 8.2318 9.5425 9.5481 10.5468 10.5643 k = 0.4400 0.3926-0.0000 ( 2714 PWs) bands (ev): -24.9280 -24.9280 -8.6860 -8.6806 -8.4387 -8.4314 -8.3399 -8.3388 -4.4818 -4.4743 -1.5781 -1.5586 -1.5148 -1.3805 -1.2455 -1.2224 -1.1930 -1.1732 -0.9905 -0.8854 0.6586 0.6754 3.4777 3.5086 4.9149 4.9216 8.0087 8.0399 8.1919 8.1928 9.5647 9.5713 10.5660 10.5866 k = 0.4333 0.4041-0.0000 ( 2714 PWs) bands (ev): -24.9279 -24.9279 -8.6857 -8.6798 -8.4401 -8.4320 -8.3407 -8.3395 -4.4765 -4.4682 -1.5794 -1.5586 -1.5188 -1.3722 -1.2466 -1.2216 -1.1948 -1.1736 -0.9898 -0.8746 0.6705 0.6897 3.3714 3.4051 4.9290 4.9360 8.1286 8.1390 8.1731 8.1986 9.5877 9.5954 10.5909 10.6150 k = 0.4267 0.4157-0.0000 ( 2710 PWs) bands (ev): -24.9278 -24.9278 -8.6855 -8.6790 -8.4416 -8.4327 -8.3415 -8.3402 -4.4707 -4.4618 -1.5805 -1.5589 -1.5223 -1.3640 -1.2477 -1.2209 -1.1965 -1.1742 -0.9884 -0.8636 0.6832 0.7049 3.2647 3.3012 4.9442 4.9514 8.1000 8.1014 8.3033 8.3417 9.6111 9.6199 10.6230 10.6508 k = 0.4200 0.4272-0.0000 ( 2714 PWs) bands (ev): -24.9277 -24.9277 -8.6852 -8.6782 -8.4432 -8.4335 -8.3424 -8.3409 -4.4647 -4.4550 -1.5816 -1.5594 -1.5252 -1.3561 -1.2486 -1.2203 -1.1981 -1.1749 -0.9865 -0.8527 0.6964 0.7208 3.1590 3.1984 4.9601 4.9676 8.0562 8.0572 8.4475 8.4904 9.6342 9.6442 10.6635 10.6954 k = 0.4133 0.4388-0.0000 ( 2714 PWs) bands (ev): -24.9277 -24.9277 -8.6849 -8.6774 -8.4448 -8.4344 -8.3432 -8.3415 -4.4585 -4.4481 -1.5826 -1.5600 -1.5275 -1.3484 -1.2495 -1.2198 -1.1996 -1.1757 -0.9841 -0.8417 0.7100 0.7372 3.0555 3.0981 4.9767 4.9844 8.0114 8.0122 8.5896 8.6370 9.6564 9.6675 10.7141 10.7501 k = 0.4067 0.4503-0.0000 ( 2708 PWs) bands (ev): -24.9276 -24.9276 -8.6847 -8.6766 -8.4464 -8.4353 -8.3439 -8.3421 -4.4522 -4.4412 -1.5835 -1.5607 -1.5295 -1.3409 -1.2504 -1.2194 -1.2010 -1.1765 -0.9813 -0.8308 0.7235 0.7538 2.9555 3.0013 4.9937 5.0016 7.9668 7.9675 8.7269 8.7788 9.6774 9.6895 10.7763 10.8164 k = 0.4000 0.4619-0.0000 ( 2708 PWs) bands (ev): -24.9275 -24.9275 -8.6844 -8.6759 -8.4480 -8.4362 -8.3447 -8.3427 -4.4458 -4.4342 -1.5844 -1.5615 -1.5311 -1.3338 -1.2512 -1.2191 -1.2023 -1.1773 -0.9782 -0.8202 0.7368 0.7703 2.8599 2.9090 5.0108 5.0190 7.9232 7.9238 8.8570 8.9133 9.6967 9.7096 10.8512 10.8953 k = 0.3933 0.4734-0.0000 ( 2708 PWs) bands (ev): -24.9274 -24.9274 -8.6842 -8.6752 -8.4496 -8.4372 -8.3453 -8.3432 -4.4395 -4.4273 -1.5851 -1.5622 -1.5323 -1.3270 -1.2520 -1.2189 -1.2034 -1.1782 -0.9748 -0.8099 0.7496 0.7863 2.7698 2.8225 5.0278 5.0362 7.8811 7.8816 8.9777 9.0384 9.7141 9.7276 10.9398 10.9875 k = 0.3867 0.4850-0.0000 ( 2716 PWs) bands (ev): -24.9273 -24.9273 -8.6840 -8.6746 -8.4511 -8.4381 -8.3459 -8.3437 -4.4334 -4.4207 -1.5858 -1.5628 -1.5334 -1.3207 -1.2528 -1.2188 -1.2045 -1.1790 -0.9714 -0.8000 0.7614 0.8014 2.6863 2.7424 5.0443 5.0529 7.8412 7.8416 9.0871 9.1520 9.7298 9.7435 11.0422 11.0931 k = 0.3800 0.4965-0.0000 ( 2712 PWs) bands (ev): -24.9272 -24.9272 -8.6838 -8.6741 -8.4525 -8.4390 -8.3464 -8.3440 -4.4276 -4.4144 -1.5864 -1.5632 -1.5343 -1.3148 -1.2535 -1.2187 -1.2053 -1.1798 -0.9679 -0.7907 0.7720 0.8152 2.6102 2.6699 5.0602 5.0689 7.8040 7.8044 9.1836 9.2523 9.7439 9.7575 11.1577 11.2112 k = 0.3733 0.5081-0.0000 ( 2708 PWs) bands (ev): -24.9271 -24.9271 -8.6837 -8.6736 -8.4538 -8.4399 -8.3468 -8.3444 -4.4222 -4.4085 -1.5868 -1.5635 -1.5351 -1.3094 -1.2542 -1.2187 -1.2060 -1.1806 -0.9644 -0.7821 0.7811 0.8274 2.5426 2.6056 5.0749 5.0839 7.7702 7.7705 9.2662 9.3383 9.7566 9.7699 11.2845 11.3401 k = 0.3667 0.5196-0.0000 ( 2708 PWs) bands (ev): -24.9271 -24.9271 -8.6836 -8.6733 -8.4550 -8.4406 -8.3471 -8.3446 -4.4172 -4.4033 -1.5872 -1.5637 -1.5358 -1.3046 -1.2548 -1.2187 -1.2066 -1.1812 -0.9611 -0.7743 0.7884 0.8376 2.4842 2.5504 5.0883 5.0974 7.7403 7.7405 9.3343 9.4092 9.7683 9.7811 11.4193 11.4766 k = 0.3600 0.5312-0.0000 ( 2710 PWs) bands (ev): -24.9270 -24.9270 -8.6836 -8.6730 -8.4560 -8.4413 -8.3474 -8.3448 -4.4130 -4.3987 -1.5875 -1.5637 -1.5364 -1.3005 -1.2554 -1.2188 -1.2071 -1.1818 -0.9582 -0.7676 0.7938 0.8456 2.4358 2.5047 5.0999 5.1091 7.7149 7.7149 9.3878 9.4649 9.7790 9.7913 11.5565 11.6155 k = 0.3533 0.5427-0.0000 ( 2710 PWs) bands (ev): -24.9270 -24.9270 -8.6835 -8.6728 -8.4568 -8.4418 -8.3476 -8.3450 -4.4094 -4.3949 -1.5877 -1.5636 -1.5369 -1.2972 -1.2558 -1.2188 -1.2075 -1.1822 -0.9557 -0.7620 0.7974 0.8512 2.3980 2.4691 5.1094 5.1187 7.6943 7.6943 9.4273 9.5059 9.7884 9.8005 11.6873 11.7479 k = 0.3467 0.5543-0.0000 ( 2716 PWs) bands (ev): -24.9269 -24.9269 -8.6835 -8.6726 -8.4573 -8.4423 -8.3478 -8.3451 -4.4068 -4.3921 -1.5879 -1.5635 -1.5374 -1.2947 -1.2562 -1.2189 -1.2077 -1.1826 -0.9537 -0.7578 0.7994 0.8546 2.3710 2.4438 5.1165 5.1259 7.6791 7.6792 9.4537 9.5332 9.7961 9.8081 11.7976 11.8596 k = 0.3400 0.5658-0.0000 ( 2708 PWs) bands (ev): -24.9269 -24.9269 -8.6835 -8.6725 -8.4577 -8.4425 -8.3478 -8.3452 -4.4051 -4.3903 -1.5880 -1.5633 -1.5376 -1.2932 -1.2564 -1.2189 -1.2079 -1.1827 -0.9525 -0.7552 0.8001 0.8563 2.3549 2.4288 5.1210 5.1304 7.6697 7.6698 9.4686 9.5484 9.8011 9.8132 11.8698 11.9322 k = 0.3333 0.5774-0.0000 ( 2712 PWs) bands (ev): -24.9269 -24.9269 -8.6835 -8.6725 -8.4578 -8.4426 -8.3479 -8.3452 -4.4045 -4.3896 -1.5880 -1.5633 -1.5377 -1.2927 -1.2564 -1.2189 -1.2079 -1.1828 -0.9520 -0.7542 0.8002 0.8566 2.3497 2.4239 5.1225 5.1319 7.6665 7.6666 9.4733 9.5531 9.8029 9.8150 11.8934 11.9556 k = 0.3333 0.5774-0.0000 ( 2712 PWs) bands (ev): -24.9269 -24.9269 -8.6835 -8.6725 -8.4578 -8.4426 -8.3479 -8.3452 -4.4045 -4.3896 -1.5880 -1.5633 -1.5377 -1.2927 -1.2564 -1.2189 -1.2079 -1.1828 -0.9520 -0.7542 0.8002 0.8566 2.3497 2.4239 5.1225 5.1319 7.6665 7.6666 9.4733 9.5531 9.8029 9.8150 11.8934 11.9556 k = 0.3267 0.5658-0.0000 ( 2708 PWs) bands (ev): -24.9269 -24.9269 -8.6835 -8.6725 -8.4577 -8.4425 -8.3478 -8.3452 -4.4051 -4.3903 -1.5880 -1.5633 -1.5376 -1.2932 -1.2564 -1.2189 -1.2079 -1.1827 -0.9525 -0.7552 0.8004 0.8565 2.3548 2.4286 5.1209 5.1304 7.6698 7.6699 9.4689 9.5487 9.8011 9.8131 11.8736 11.9364 k = 0.3200 0.5543-0.0000 ( 2702 PWs) bands (ev): -24.9269 -24.9269 -8.6835 -8.6726 -8.4573 -8.4422 -8.3478 -8.3451 -4.4070 -4.3923 -1.5879 -1.5637 -1.5372 -1.2947 -1.2563 -1.2189 -1.2077 -1.1825 -0.9540 -0.7582 0.8014 0.8569 2.3696 2.4426 5.1161 5.1255 7.6798 7.6798 9.4565 9.5361 9.7956 9.8076 11.8222 11.8868 k = 0.3133 0.5427-0.0000 ( 2710 PWs) bands (ev): -24.9270 -24.9270 -8.6834 -8.6726 -8.4567 -8.4418 -8.3477 -8.3450 -4.4104 -4.3959 -1.5878 -1.5643 -1.5366 -1.2971 -1.2563 -1.2189 -1.2075 -1.1824 -0.9565 -0.7633 0.8043 0.8588 2.3935 2.4652 5.1080 5.1173 7.6966 7.6966 9.4366 9.5157 9.7870 9.7991 11.7498 11.8164 k = 0.3067 0.5312-0.0000 ( 2706 PWs) bands (ev): -24.9270 -24.9270 -8.6832 -8.6726 -8.4559 -8.4411 -8.3475 -8.3449 -4.4152 -4.4009 -1.5877 -1.5652 -1.5357 -1.3004 -1.2565 -1.2189 -1.2071 -1.1821 -0.9602 -0.7706 0.8098 0.8631 2.4257 2.4957 5.0966 5.1058 7.7202 7.7203 9.4096 9.4877 9.7759 9.7883 11.6634 11.7318 k = 0.3000 0.5196-0.0000 ( 2708 PWs) bands (ev): -24.9271 -24.9271 -8.6830 -8.6726 -8.4548 -8.4403 -8.3473 -8.3448 -4.4216 -4.4077 -1.5875 -1.5665 -1.5345 -1.3045 -1.2568 -1.2189 -1.2067 -1.1819 -0.9649 -0.7800 0.8187 0.8706 2.4653 2.5334 5.0820 5.0911 7.7507 7.7508 9.3757 9.4525 9.7629 9.7761 11.5679 11.6376 k = 0.2933 0.5081-0.0000 ( 2708 PWs) bands (ev): -24.9272 -24.9272 -8.6827 -8.6725 -8.4535 -8.4394 -8.3472 -8.3447 -4.4297 -4.4161 -1.5874 -1.5680 -1.5332 -1.3095 -1.2573 -1.2190 -1.2062 -1.1816 -0.9705 -0.7914 0.8317 0.8823 2.5117 2.5778 5.0643 5.0732 7.7879 7.7882 9.3354 9.4102 9.7487 9.7631 11.4665 11.5372 k = 0.2867 0.4965-0.0000 ( 2708 PWs) bands (ev): -24.9273 -24.9273 -8.6822 -8.6723 -8.4520 -8.4382 -8.3469 -8.3445 -4.4394 -4.4263 -1.5873 -1.5699 -1.5316 -1.3153 -1.2582 -1.2191 -1.2056 -1.1815 -0.9771 -0.8047 0.8494 0.8987 2.5642 2.6281 5.0437 5.0525 7.8318 7.8322 9.2890 9.3615 9.7338 9.7499 11.3617 11.4329 k = 0.2800 0.4850-0.0000 ( 2716 PWs) bands (ev): -24.9275 -24.9275 -8.6817 -8.6720 -8.4503 -8.4369 -8.3467 -8.3444 -4.4509 -4.4382 -1.5872 -1.5720 -1.5300 -1.3219 -1.2593 -1.2194 -1.2050 -1.1814 -0.9843 -0.8197 0.8722 0.9202 2.6221 2.6838 5.0204 5.0290 7.8820 7.8826 9.2371 9.3070 9.7184 9.7365 11.2548 11.3264 k = 0.2733 0.4734-0.0000 ( 2720 PWs) bands (ev): -24.9277 -24.9277 -8.6809 -8.6716 -8.4484 -8.4354 -8.3465 -8.3442 -4.4641 -4.4519 -1.5872 -1.5744 -1.5283 -1.3292 -1.2606 -1.2197 -1.2044 -1.1814 -0.9920 -0.8362 0.9005 0.9472 2.6848 2.7443 4.9947 5.0032 7.9385 7.9392 9.1803 9.2473 9.7027 9.7230 11.1472 11.2189 k = 0.2667 0.4619-0.0000 ( 2718 PWs) bands (ev): -24.9278 -24.9278 -8.6800 -8.6710 -8.4463 -8.4338 -8.3462 -8.3440 -4.4790 -4.4674 -1.5872 -1.5769 -1.5265 -1.3373 -1.2621 -1.2202 -1.2037 -1.1814 -1.0001 -0.8537 0.9345 0.9798 2.7518 2.8093 4.9669 4.9751 8.0010 8.0018 9.1191 9.1832 9.6867 9.7093 11.0396 11.1112 k = 0.2600 0.4503-0.0000 ( 2715 PWs) bands (ev): -24.9280 -24.9280 -8.6789 -8.6703 -8.4440 -8.4320 -8.3460 -8.3439 -4.4957 -4.4847 -1.5873 -1.5797 -1.5247 -1.3460 -1.2639 -1.2208 -1.2030 -1.1816 -1.0082 -0.8721 0.9741 1.0183 2.8228 2.8782 4.9371 4.9452 8.0691 8.0701 9.0543 9.1154 9.6703 9.6952 10.9327 11.0041 k = 0.2533 0.4388-0.0000 ( 2717 PWs) bands (ev): -24.9283 -24.9283 -8.6777 -8.6694 -8.4417 -8.4301 -8.3457 -8.3437 -4.5141 -4.5037 -1.5875 -1.5826 -1.5229 -1.3553 -1.2660 -1.2216 -1.2023 -1.1819 -1.0163 -0.8909 1.0196 1.0625 2.8972 2.9507 4.9058 4.9137 8.1427 8.1438 8.9863 9.0444 9.6533 9.6807 10.8270 10.8981 k = 0.2467 0.4272-0.0000 ( 2717 PWs) bands (ev): -24.9285 -24.9285 -8.6762 -8.6683 -8.4391 -8.4281 -8.3454 -8.3435 -4.5342 -4.5244 -1.5878 -1.5857 -1.5212 -1.3651 -1.2682 -1.2227 -1.2016 -1.1822 -1.0242 -0.9098 1.0709 1.1125 2.9748 3.0264 4.8730 4.8809 8.2214 8.2227 8.9157 8.9709 9.6356 9.6654 10.7229 10.7935 k = 0.2400 0.4157-0.0000 ( 2713 PWs) bands (ev): -24.9288 -24.9288 -8.6745 -8.6670 -8.4364 -8.4260 -8.3451 -8.3433 -4.5558 -4.5467 -1.5889 -1.5883 -1.5194 -1.3752 -1.2706 -1.2240 -1.2008 -1.1825 -1.0317 -0.9286 1.1278 1.1681 3.0551 3.1050 4.8392 4.8469 8.3049 8.3065 8.8430 8.8953 9.6171 9.6493 10.6206 10.6908 k = 0.2333 0.4041-0.0000 ( 2717 PWs) bands (ev): -24.9291 -24.9291 -8.6727 -8.6656 -8.4337 -8.4237 -8.3448 -8.3431 -4.5789 -4.5704 -1.5922 -1.5890 -1.5177 -1.3856 -1.2733 -1.2258 -1.2001 -1.1829 -1.0389 -0.9470 1.1903 1.2293 3.1379 3.1862 4.8046 4.8122 8.3930 8.3949 8.7687 8.8181 9.5977 9.6322 10.5206 10.5901 k = 0.2267 0.3926-0.0000 ( 2723 PWs) bands (ev): -24.9294 -24.9294 -8.6707 -8.6639 -8.4308 -8.4214 -8.3445 -8.3430 -4.6035 -4.5956 -1.5955 -1.5899 -1.5161 -1.3960 -1.2761 -1.2280 -1.1994 -1.1834 -1.0456 -0.9647 1.2581 1.2958 3.2228 3.2696 4.7693 4.7768 8.4849 8.4877 8.6936 8.7396 9.5772 9.6138 10.4232 10.4919 k = 0.2200 0.3811-0.0000 ( 2735 PWs) bands (ev): -24.9297 -24.9297 -8.6685 -8.6621 -8.4278 -8.4189 -8.3443 -8.3428 -4.6294 -4.6221 -1.5990 -1.5910 -1.5145 -1.4062 -1.2791 -1.2307 -1.1987 -1.1838 -1.0518 -0.9815 1.3313 1.3675 3.3096 3.3550 4.7336 4.7411 8.5737 8.5841 8.6247 8.6606 9.5555 9.5941 10.3285 10.3964 k = 0.2133 0.3695-0.0000 ( 2731 PWs) bands (ev): -24.9301 -24.9301 -8.6661 -8.6601 -8.4247 -8.4164 -8.3440 -8.3426 -4.6564 -4.6498 -1.6024 -1.5924 -1.5130 -1.4161 -1.2823 -1.2339 -1.1979 -1.1841 -1.0575 -0.9972 1.4095 1.4443 3.3980 3.4422 4.6977 4.7053 8.5340 8.5791 8.6864 8.6875 9.5325 9.5728 10.2371 10.3038 k = 0.2067 0.3580-0.0000 ( 2731 PWs) bands (ev): -24.9304 -24.9304 -8.6635 -8.6579 -8.4214 -8.4137 -8.3437 -8.3424 -4.6845 -4.6785 -1.6059 -1.5941 -1.5114 -1.4256 -1.2856 -1.2377 -1.1970 -1.1844 -1.0628 -1.0118 1.4926 1.5260 3.4877 3.5307 4.6617 4.6694 8.4571 8.4988 8.7906 8.7907 9.5080 9.5496 10.1493 10.2146 k = 0.2000 0.3464-0.0000 ( 2735 PWs) bands (ev): -24.9308 -24.9308 -8.6608 -8.6556 -8.4182 -8.4109 -8.3434 -8.3422 -4.7136 -4.7081 -1.6094 -1.5962 -1.5100 -1.4345 -1.2890 -1.2421 -1.1961 -1.1847 -1.0676 -1.0251 1.5805 1.6125 3.5784 3.6204 4.6258 4.6338 8.3789 8.4179 8.8983 8.8988 9.4819 9.5243 10.0657 10.1291 k = 0.1933 0.3349-0.0000 ( 2731 PWs) bands (ev): -24.9312 -24.9312 -8.6579 -8.6531 -8.4147 -8.4081 -8.3430 -8.3420 -4.7434 -4.7384 -1.6128 -1.5986 -1.5086 -1.4427 -1.2925 -1.2470 -1.1951 -1.1848 -1.0720 -1.0371 1.6730 1.7035 3.6698 3.7110 4.5903 4.5986 8.3003 8.3370 9.0094 9.0101 9.4539 9.4963 9.9872 10.0480 k = 0.1867 0.3233-0.0000 ( 2727 PWs) bands (ev): -24.9316 -24.9316 -8.6550 -8.6505 -8.4113 -8.4051 -8.3427 -8.3418 -4.7739 -4.7694 -1.6163 -1.6013 -1.5071 -1.4501 -1.2962 -1.2525 -1.1941 -1.1848 -1.0760 -1.0477 1.7700 1.7990 3.7615 3.8022 4.5551 4.5640 8.2217 8.2562 9.1232 9.1242 9.4238 9.4649 9.9147 9.9720 k = 0.1800 0.3118-0.0000 ( 2737 PWs) bands (ev): -24.9320 -24.9320 -8.6519 -8.6478 -8.4077 -8.4021 -8.3424 -8.3416 -4.8049 -4.8009 -1.6197 -1.6043 -1.5058 -1.4568 -1.3000 -1.2586 -1.1931 -1.1848 -1.0798 -1.0572 1.8712 1.8987 3.8531 3.8936 4.5205 4.5302 8.1432 8.1757 9.2378 9.2400 9.3926 9.4301 9.8497 9.9020 k = 0.1733 0.3002-0.0000 ( 2737 PWs) bands (ev): -24.9324 -24.9324 -8.6488 -8.6450 -8.4041 -8.3990 -8.3421 -8.3414 -4.8362 -4.8326 -1.6230 -1.6077 -1.5044 -1.4626 -1.3038 -1.2650 -1.1919 -1.1847 -1.0832 -1.0654 1.9765 2.0027 3.9442 3.9850 4.4867 4.4977 8.0651 8.0956 9.3236 9.3452 9.3889 9.4027 9.7935 9.8392 k = 0.1667 0.2887-0.0000 ( 2741 PWs) bands (ev): -24.9328 -24.9328 -8.6456 -8.6421 -8.4004 -8.3958 -8.3418 -8.3412 -4.8677 -4.8645 -1.6263 -1.6113 -1.5031 -1.4675 -1.3077 -1.2717 -1.1908 -1.1844 -1.0863 -1.0726 2.0859 2.1106 4.0339 4.0758 4.4538 4.4669 7.9874 8.0160 9.2985 9.3304 9.4903 9.4936 9.7479 9.7847 k = 0.1600 0.2771-0.0000 ( 2745 PWs) bands (ev): -24.9333 -24.9333 -8.6424 -8.6393 -8.3966 -8.3925 -8.3414 -8.3410 -4.8992 -4.8964 -1.6295 -1.6151 -1.5018 -1.4717 -1.3117 -1.2787 -1.1896 -1.1841 -1.0892 -1.0788 2.1990 2.2224 4.1208 4.1656 4.4222 4.4392 7.9102 7.9370 9.2517 9.2775 9.6062 9.6160 9.7180 9.7401 k = 0.1533 0.2656-0.0000 ( 2753 PWs) bands (ev): -24.9337 -24.9337 -8.6392 -8.6364 -8.3928 -8.3892 -8.3411 -8.3407 -4.9307 -4.9282 -1.6326 -1.6190 -1.5005 -1.4752 -1.3157 -1.2857 -1.1883 -1.1836 -1.0919 -1.0842 2.3158 2.3379 4.2010 4.2525 4.3935 4.4181 7.8336 7.8587 9.1975 9.2169 9.6622 9.6968 9.7504 9.7614 k = 0.1467 0.2540-0.0000 ( 2753 PWs) bands (ev): -24.9342 -24.9342 -8.6360 -8.6335 -8.3889 -8.3857 -8.3407 -8.3405 -4.9618 -4.9597 -1.6356 -1.6230 -1.4992 -1.4780 -1.3197 -1.2928 -1.1871 -1.1831 -1.0944 -1.0888 2.4362 2.4570 4.2626 4.3216 4.3824 4.4154 7.7577 7.7811 9.1371 9.1507 9.6523 9.6738 9.8765 9.8820 k = 0.1400 0.2425-0.0000 ( 2755 PWs) bands (ev): -24.9346 -24.9346 -8.6328 -8.6306 -8.3850 -8.3823 -8.3404 -8.3402 -4.9927 -4.9908 -1.6385 -1.6271 -1.4979 -1.4802 -1.3237 -1.2998 -1.1858 -1.1825 -1.0967 -1.0927 2.5599 2.5795 4.2839 4.3183 4.4431 4.4526 7.6823 7.7041 9.0714 9.0801 9.6432 9.6565 10.0080 10.0119 k = 0.1333 0.2309-0.0000 ( 2749 PWs) bands (ev): -24.9350 -24.9350 -8.6297 -8.6278 -8.3811 -8.3787 -8.3400 -8.3399 -5.0229 -5.0214 -1.6413 -1.6310 -1.4965 -1.4819 -1.3277 -1.3067 -1.1845 -1.1818 -1.0988 -1.0961 2.6869 2.7053 4.2741 4.2933 4.5200 4.5248 7.6076 7.6278 9.0013 9.0061 9.6401 9.6474 10.1415 10.1447 k = 0.1267 0.2194-0.0000 ( 2753 PWs) bands (ev): -24.9354 -24.9354 -8.6267 -8.6250 -8.3772 -8.3752 -8.3396 -8.3396 -5.0526 -5.0512 -1.6441 -1.6350 -1.4952 -1.4831 -1.3317 -1.3134 -1.1832 -1.1810 -1.1008 -1.0991 2.8170 2.8343 4.2542 4.2669 4.5964 4.6068 7.5334 7.5521 8.9274 8.9294 9.6435 9.6462 10.2765 10.2793 k = 0.1200 0.2078-0.0000 ( 2749 PWs) bands (ev): -24.9359 -24.9359 -8.6238 -8.6223 -8.3732 -8.3716 -8.3392 -8.3391 -5.0815 -5.0803 -1.6467 -1.6387 -1.4938 -1.4839 -1.3355 -1.3198 -1.1819 -1.1802 -1.1027 -1.1017 2.9499 2.9662 4.2317 4.2412 4.6742 4.6869 7.4595 7.4768 8.8504 8.8505 9.6523 9.6531 10.4126 10.4152 k = 0.1133 0.1963-0.0000 ( 2747 PWs) bands (ev): -24.9363 -24.9363 -8.6210 -8.6198 -8.3694 -8.3681 -8.3388 -8.3387 -5.1095 -5.1085 -1.6492 -1.6424 -1.4925 -1.4844 -1.3394 -1.3260 -1.1807 -1.1793 -1.1044 -1.1039 3.0856 3.1010 4.2088 4.2164 4.7508 4.7644 7.3858 7.4017 8.7696 8.7709 9.6656 9.6690 10.5495 10.5519 k = 0.1067 0.1848-0.0000 ( 2745 PWs) bands (ev): -24.9366 -24.9366 -8.6183 -8.6173 -8.3656 -8.3646 -8.3384 -8.3381 -5.1364 -5.1356 -1.6517 -1.6458 -1.4911 -1.4845 -1.3431 -1.3319 -1.1794 -1.1784 -1.1060 -1.1059 3.2238 3.2383 4.1863 4.1929 4.8250 4.8389 7.3120 7.3266 8.6872 8.6893 9.6856 9.6910 10.6867 10.6890 k = 0.1000 0.1732-0.0000 ( 2743 PWs) bands (ev): -24.9370 -24.9370 -8.6158 -8.6149 -8.3619 -8.3612 -8.3379 -8.3376 -5.1623 -5.1617 -1.6540 -1.6491 -1.4898 -1.4845 -1.3468 -1.3375 -1.1782 -1.1775 -1.1076 -1.1074 3.3643 3.3781 4.1648 4.1707 4.8963 4.9100 7.2378 7.2511 8.6036 8.6062 9.7122 9.7191 10.8238 10.8260 k = 0.0933 0.1617-0.0000 ( 2739 PWs) bands (ev): -24.9374 -24.9374 -8.6134 -8.6127 -8.3585 -8.3580 -8.3372 -8.3369 -5.1870 -5.1865 -1.6562 -1.6522 -1.4884 -1.4842 -1.3504 -1.3427 -1.1771 -1.1765 -1.1091 -1.1088 3.5068 3.5200 4.1445 4.1502 4.9641 4.9775 7.1626 7.1746 8.5192 8.5220 9.7452 9.7530 10.9599 10.9623 k = 0.0867 0.1501-0.0000 ( 2745 PWs) bands (ev): -24.9378 -24.9378 -8.6113 -8.6107 -8.3553 -8.3550 -8.3365 -8.3361 -5.2104 -5.2100 -1.6583 -1.6551 -1.4871 -1.4838 -1.3538 -1.3476 -1.1760 -1.1756 -1.1105 -1.1101 3.6507 3.6637 4.1257 4.1315 5.0282 5.0410 7.0860 7.0968 8.4347 8.4374 9.7842 9.7927 11.0901 11.0940 k = 0.0800 0.1386-0.0000 ( 2747 PWs) bands (ev): -24.9381 -24.9381 -8.6092 -8.6088 -8.3524 -8.3522 -8.3355 -8.3351 -5.2324 -5.2321 -1.6603 -1.6577 -1.4858 -1.4832 -1.3571 -1.3522 -1.1749 -1.1747 -1.1116 -1.1112 3.7949 3.8083 4.1091 4.1157 5.0883 5.1003 7.0072 7.0169 8.3507 8.3532 9.8290 9.8379 11.0314 11.0483 k = 0.0733 0.1270-0.0000 ( 2747 PWs) bands (ev): -24.9384 -24.9384 -8.6074 -8.6070 -8.3499 -8.3499 -8.3344 -8.3340 -5.2530 -5.2527 -1.6622 -1.6602 -1.4845 -1.4825 -1.3602 -1.3565 -1.1739 -1.1738 -1.1127 -1.1123 3.9348 3.9506 4.0976 4.1072 5.1441 5.1553 6.9257 6.9342 8.2683 8.2705 9.8792 9.8882 10.9383 10.9546 k = 0.0667 0.1155-0.0000 ( 2741 PWs) bands (ev): -24.9387 -24.9387 -8.6057 -8.6054 -8.3479 -8.3478 -8.3329 -8.3326 -5.2720 -5.2718 -1.6639 -1.6624 -1.4832 -1.4818 -1.3631 -1.3603 -1.1730 -1.1729 -1.1136 -1.1132 4.0341 4.0486 4.1332 4.1419 5.1955 5.2058 6.8406 6.8480 8.1883 8.1902 9.9341 9.9430 10.8510 10.8660 k = 0.0600 0.1039-0.0000 ( 2747 PWs) bands (ev): -24.9390 -24.9390 -8.6041 -8.6039 -8.3463 -8.3462 -8.3313 -8.3310 -5.2894 -5.2893 -1.6655 -1.6644 -1.4821 -1.4810 -1.3659 -1.3638 -1.1721 -1.1721 -1.1144 -1.1141 4.0462 4.0506 4.2662 4.2670 5.2424 5.2518 6.7513 6.7575 8.1121 8.1136 9.9930 10.0017 10.7709 10.7845 k = 0.0533 0.0924-0.0000 ( 2747 PWs) bands (ev): -24.9392 -24.9392 -8.6028 -8.6026 -8.3450 -8.3450 -8.3296 -8.3293 -5.3051 -5.3050 -1.6669 -1.6662 -1.4810 -1.4802 -1.3685 -1.3670 -1.1714 -1.1714 -1.1151 -1.1149 4.0389 4.0407 4.4118 4.4147 5.2847 5.2930 6.6569 6.6622 8.0408 8.0419 10.0549 10.0632 10.6989 10.7109 k = 0.0467 0.0808-0.0000 ( 2751 PWs) bands (ev): -24.9395 -24.9395 -8.6016 -8.6015 -8.3441 -8.3441 -8.3278 -8.3276 -5.3192 -5.3191 -1.6683 -1.6678 -1.4799 -1.4795 -1.3708 -1.3698 -1.1707 -1.1707 -1.1157 -1.1155 4.0296 4.0305 4.5608 4.5641 5.3223 5.3297 6.5572 6.5615 7.9755 7.9764 10.1185 10.1262 10.6355 10.6460 k = 0.0400 0.0693-0.0000 ( 2751 PWs) bands (ev): -24.9396 -24.9396 -8.6006 -8.6005 -8.3434 -8.3434 -8.3261 -8.3260 -5.3314 -5.3314 -1.6694 -1.6691 -1.4790 -1.4787 -1.3729 -1.3722 -1.1701 -1.1700 -1.1162 -1.1161 4.0207 4.0212 4.7100 4.7132 5.3555 5.3618 6.4520 6.4554 7.9174 7.9179 10.1820 10.1890 10.5809 10.5899 k = 0.0333 0.0577-0.0000 ( 2755 PWs) bands (ev): -24.9398 -24.9398 -8.5997 -8.5997 -8.3429 -8.3429 -8.3245 -8.3244 -5.3419 -5.3418 -1.6704 -1.6702 -1.4782 -1.4780 -1.3747 -1.3743 -1.1695 -1.1695 -1.1167 -1.1166 4.0129 4.0131 4.8577 4.8606 5.3844 5.3896 6.3415 6.3441 7.8671 7.8674 10.2432 10.2493 10.5356 10.5430 k = 0.0267 0.0462-0.0000 ( 2759 PWs) bands (ev): -24.9400 -24.9400 -8.5990 -8.5990 -8.3425 -8.3425 -8.3232 -8.3231 -5.3504 -5.3504 -1.6713 -1.6712 -1.4775 -1.4774 -1.3762 -1.3760 -1.1691 -1.1691 -1.1170 -1.1170 4.0064 4.0065 5.0018 5.0043 5.4096 5.4138 6.2267 6.2285 7.8254 7.8256 10.2990 10.3040 10.5000 10.5057 k = 0.0200 0.0346-0.0000 ( 2763 PWs) bands (ev): -24.9401 -24.9401 -8.5985 -8.5985 -8.3422 -8.3422 -8.3221 -8.3221 -5.3572 -5.3572 -1.6720 -1.6719 -1.4770 -1.4770 -1.3774 -1.3773 -1.1688 -1.1688 -1.1173 -1.1173 4.0012 4.0013 5.1383 5.1402 5.4330 5.4359 6.1097 6.1108 7.7927 7.7927 10.3454 10.3489 10.4752 10.4791 k = 0.0133 0.0231-0.0000 ( 2763 PWs) bands (ev): -24.9402 -24.9402 -8.5981 -8.5981 -8.3421 -8.3421 -8.3213 -8.3213 -5.3620 -5.3620 -1.6724 -1.6724 -1.4766 -1.4766 -1.3783 -1.3783 -1.1685 -1.1685 -1.1175 -1.1175 3.9975 3.9975 5.2574 5.2585 5.4593 5.4610 5.9952 5.9957 7.7691 7.7692 10.3770 10.3786 10.4633 10.4651 k = 0.0067 0.0115-0.0000 ( 2775 PWs) bands (ev): -24.9402 -24.9402 -8.5979 -8.5979 -8.3420 -8.3420 -8.3208 -8.3208 -5.3649 -5.3649 -1.6727 -1.6727 -1.4764 -1.4764 -1.3788 -1.3788 -1.1684 -1.1684 -1.1177 -1.1177 3.9953 3.9953 5.3372 5.3375 5.4974 5.4978 5.8964 5.8965 7.7550 7.7550 10.3907 10.3909 10.4633 10.4636 k = 0.0000 0.0000 0.0000 ( 2775 PWs) bands (ev): -24.9402 -24.9402 -8.5979 -8.5979 -8.3419 -8.3419 -8.3207 -8.3207 -5.3658 -5.3658 -1.6728 -1.6728 -1.4763 -1.4763 -1.3790 -1.3790 -1.1684 -1.1684 -1.1177 -1.1177 3.9945 3.9945 5.3620 5.3620 5.5245 5.5245 5.8508 5.8508 7.7502 7.7502 10.3933 10.3933 10.4653 10.4653 k = 0.0000 0.0000 0.0000 ( 2775 PWs) bands (ev): -24.9402 -24.9402 -8.5979 -8.5979 -8.3419 -8.3419 -8.3207 -8.3207 -5.3658 -5.3658 -1.6728 -1.6728 -1.4763 -1.4763 -1.3790 -1.3790 -1.1684 -1.1684 -1.1177 -1.1177 3.9945 3.9945 5.3620 5.3620 5.5245 5.5245 5.8508 5.8508 7.7502 7.7502 10.3933 10.3933 10.4653 10.4653 k = 0.0000 0.0000 0.0133 ( 2763 PWs) bands (ev): -24.9402 -24.9402 -8.5979 -8.5979 -8.3421 -8.3421 -8.3206 -8.3206 -5.3652 -5.3652 -1.6729 -1.6727 -1.4762 -1.4762 -1.3790 -1.3790 -1.1685 -1.1682 -1.1176 -1.1176 3.9885 3.9885 5.3622 5.3622 5.5248 5.5249 5.8552 5.8552 7.7547 7.7547 10.3908 10.3908 10.4625 10.4626 k = 0.0000 0.0000 0.0267 ( 2757 PWs) bands (ev): -24.9402 -24.9402 -8.5982 -8.5982 -8.3426 -8.3426 -8.3206 -8.3206 -5.3634 -5.3634 -1.6731 -1.6726 -1.4761 -1.4761 -1.3790 -1.3790 -1.1686 -1.1680 -1.1174 -1.1174 3.9707 3.9707 5.3628 5.3628 5.5256 5.5258 5.8682 5.8682 7.7682 7.7682 10.3831 10.3831 10.4543 10.4546 k = 0.0000 0.0000 0.0400 ( 2751 PWs) bands (ev): -24.9402 -24.9402 -8.5986 -8.5986 -8.3434 -8.3434 -8.3206 -8.3206 -5.3603 -5.3603 -1.6732 -1.6725 -1.4759 -1.4759 -1.3791 -1.3791 -1.1687 -1.1679 -1.1169 -1.1169 3.9418 3.9418 5.3638 5.3638 5.5269 5.5273 5.8890 5.8890 7.7906 7.7906 10.3706 10.3706 10.4410 10.4414 k = 0.0000 0.0000 0.0533 ( 2757 PWs) bands (ev): -24.9402 -24.9402 -8.5993 -8.5993 -8.3446 -8.3446 -8.3206 -8.3206 -5.3560 -5.3560 -1.6734 -1.6724 -1.4757 -1.4757 -1.3791 -1.3791 -1.1689 -1.1678 -1.1165 -1.1165 3.9030 3.9030 5.3652 5.3652 5.5289 5.5293 5.9163 5.9163 7.8218 7.8218 10.3538 10.3538 10.4232 10.4237 k = 0.0000 0.0000 0.0667 ( 2757 PWs) bands (ev): -24.9402 -24.9402 -8.6001 -8.6001 -8.3461 -8.3461 -8.3205 -8.3205 -5.3507 -5.3507 -1.6736 -1.6724 -1.4753 -1.4753 -1.3792 -1.3792 -1.1690 -1.1677 -1.1158 -1.1158 3.8557 3.8557 5.3671 5.3671 5.5313 5.5319 5.9489 5.9489 7.8617 7.8617 10.3331 10.3331 10.4013 10.4019 k = 0.0000 0.0000 0.0800 ( 2757 PWs) bands (ev): -24.9401 -24.9401 -8.6011 -8.6011 -8.3479 -8.3479 -8.3204 -8.3204 -5.3442 -5.3442 -1.6737 -1.6724 -1.4749 -1.4749 -1.3792 -1.3792 -1.1692 -1.1676 -1.1150 -1.1150 3.8014 3.8014 5.3695 5.3695 5.5343 5.5349 5.9854 5.9854 7.9101 7.9101 10.3092 10.3092 10.3761 10.3768 k = 0.0000 0.0000 0.0933 ( 2745 PWs) bands (ev): -24.9401 -24.9401 -8.6023 -8.6023 -8.3499 -8.3499 -8.3204 -8.3204 -5.3367 -5.3367 -1.6739 -1.6724 -1.4744 -1.4744 -1.3793 -1.3793 -1.1692 -1.1674 -1.1140 -1.1140 3.7414 3.7414 5.3724 5.3724 5.5377 5.5385 6.0243 6.0243 7.9667 7.9667 10.2826 10.2826 10.3483 10.3489 k = 0.0000 0.0000 0.1066 ( 2739 PWs) bands (ev): -24.9401 -24.9401 -8.6036 -8.6036 -8.3521 -8.3521 -8.3203 -8.3203 -5.3283 -5.3283 -1.6741 -1.6724 -1.4739 -1.4739 -1.3794 -1.3794 -1.1694 -1.1673 -1.1128 -1.1128 3.6770 3.6770 5.3758 5.3758 5.5416 5.5425 6.0647 6.0647 8.0310 8.0310 10.2541 10.2541 10.3184 10.3191 k = 0.0000 0.0000 0.1200 ( 2751 PWs) bands (ev): -24.9401 -24.9401 -8.6052 -8.6052 -8.3545 -8.3545 -8.3202 -8.3202 -5.3190 -5.3190 -1.6743 -1.6724 -1.4733 -1.4733 -1.3796 -1.3796 -1.1695 -1.1673 -1.1116 -1.1116 3.6096 3.6096 5.3795 5.3795 5.5459 5.5469 6.1054 6.1054 8.1026 8.1026 10.2241 10.2241 10.2871 10.2878 k = 0.0000 0.0000 0.1333 ( 2751 PWs) bands (ev): -24.9400 -24.9400 -8.6068 -8.6068 -8.3571 -8.3571 -8.3201 -8.3201 -5.3089 -5.3089 -1.6745 -1.6725 -1.4727 -1.4727 -1.3797 -1.3797 -1.1697 -1.1673 -1.1103 -1.1103 3.5401 3.5401 5.3837 5.3837 5.5506 5.5516 6.1459 6.1459 8.1808 8.1808 10.1933 10.1933 10.2550 10.2557 k = 0.0000 0.0000 0.1466 ( 2751 PWs) bands (ev): -24.9400 -24.9400 -8.6086 -8.6086 -8.3598 -8.3598 -8.3200 -8.3200 -5.2982 -5.2982 -1.6747 -1.6725 -1.4720 -1.4720 -1.3798 -1.3798 -1.1698 -1.1673 -1.1089 -1.1089 3.4696 3.4696 5.3882 5.3882 5.5557 5.5567 6.1856 6.1856 8.2649 8.2649 10.1620 10.1620 10.2226 10.2232 k = 0.0000 0.0000 0.1600 ( 2751 PWs) bands (ev): -24.9400 -24.9400 -8.6106 -8.6106 -8.3625 -8.3625 -8.3199 -8.3199 -5.2870 -5.2870 -1.6749 -1.6726 -1.4713 -1.4713 -1.3800 -1.3800 -1.1699 -1.1672 -1.1073 -1.1073 3.3987 3.3987 5.3929 5.3929 5.5610 5.5621 6.2240 6.2240 8.3541 8.3541 10.1309 10.1309 10.1903 10.1909 k = 0.0000 0.0000 0.1733 ( 2739 PWs) bands (ev): -24.9399 -24.9399 -8.6126 -8.6126 -8.3653 -8.3653 -8.3198 -8.3198 -5.2753 -5.2753 -1.6750 -1.6727 -1.4705 -1.4705 -1.3801 -1.3801 -1.1699 -1.1672 -1.1057 -1.1057 3.3282 3.3282 5.3980 5.3980 5.5665 5.5676 6.2609 6.2609 8.4474 8.4474 10.1002 10.1002 10.1586 10.1591 k = 0.0000 0.0000 0.1866 ( 2751 PWs) bands (ev): -24.9399 -24.9399 -8.6148 -8.6148 -8.3681 -8.3681 -8.3197 -8.3197 -5.2633 -5.2633 -1.6752 -1.6728 -1.4698 -1.4698 -1.3803 -1.3803 -1.1700 -1.1673 -1.1040 -1.1040 3.2587 3.2587 5.4032 5.4032 5.5722 5.5734 6.2963 6.2963 8.5439 8.5439 10.0702 10.0702 10.1276 10.1282 k = 0.0000 0.0000 0.2000 ( 2757 PWs) bands (ev): -24.9399 -24.9399 -8.6170 -8.6170 -8.3709 -8.3709 -8.3196 -8.3196 -5.2512 -5.2512 -1.6754 -1.6730 -1.4690 -1.4690 -1.3805 -1.3805 -1.1701 -1.1673 -1.1022 -1.1022 3.1908 3.1908 5.4085 5.4085 5.5780 5.5792 6.3298 6.3298 8.6425 8.6425 10.0413 10.0413 10.0979 10.0984 k = 0.0000 0.0000 0.2133 ( 2745 PWs) bands (ev): -24.9398 -24.9398 -8.6192 -8.6192 -8.3736 -8.3736 -8.3195 -8.3195 -5.2389 -5.2389 -1.6755 -1.6731 -1.4682 -1.4682 -1.3806 -1.3806 -1.1702 -1.1674 -1.1004 -1.1004 3.1250 3.1250 5.4139 5.4139 5.5839 5.5851 6.3616 6.3616 8.7420 8.7420 10.0136 10.0136 10.0694 10.0699 k = 0.0000 0.0000 0.2266 ( 2745 PWs) bands (ev): -24.9398 -24.9398 -8.6215 -8.6215 -8.3762 -8.3762 -8.3194 -8.3194 -5.2267 -5.2267 -1.6756 -1.6732 -1.4674 -1.4674 -1.3807 -1.3807 -1.1702 -1.1674 -1.0985 -1.0985 3.0616 3.0616 5.4192 5.4192 5.5898 5.5910 6.3916 6.3916 8.8413 8.8413 9.9873 9.9873 10.0425 10.0429 k = 0.0000 0.0000 0.2399 ( 2745 PWs) bands (ev): -24.9397 -24.9397 -8.6239 -8.6239 -8.3788 -8.3788 -8.3193 -8.3193 -5.2147 -5.2147 -1.6757 -1.6734 -1.4666 -1.4666 -1.3809 -1.3809 -1.1702 -1.1675 -1.0967 -1.0967 3.0011 3.0011 5.4246 5.4246 5.5957 5.5968 6.4198 6.4198 8.9392 8.9392 9.9627 9.9627 10.0173 10.0177 k = 0.0000 0.0000 0.2533 ( 2727 PWs) bands (ev): -24.9397 -24.9397 -8.6261 -8.6261 -8.3811 -8.3811 -8.3191 -8.3191 -5.2030 -5.2030 -1.6757 -1.6735 -1.4658 -1.4658 -1.3810 -1.3810 -1.1702 -1.1676 -1.0948 -1.0948 2.9438 2.9438 5.4298 5.4298 5.6014 5.6025 6.4461 6.4461 9.0344 9.0344 9.9397 9.9397 9.9939 9.9942 k = 0.0000 0.0000 0.2666 ( 2733 PWs) bands (ev): -24.9396 -24.9396 -8.6284 -8.6284 -8.3834 -8.3834 -8.3190 -8.3190 -5.1917 -5.1917 -1.6758 -1.6737 -1.4651 -1.4651 -1.3811 -1.3811 -1.1702 -1.1677 -1.0930 -1.0930 2.8900 2.8900 5.4349 5.4349 5.6069 5.6080 6.4706 6.4706 9.1256 9.1256 9.9185 9.9185 9.9723 9.9726 k = 0.0000 0.0000 0.2799 ( 2720 PWs) bands (ev): -24.9396 -24.9396 -8.6305 -8.6305 -8.3855 -8.3855 -8.3189 -8.3189 -5.1810 -5.1810 -1.6759 -1.6739 -1.4644 -1.4644 -1.3812 -1.3812 -1.1701 -1.1677 -1.0912 -1.0912 2.8399 2.8399 5.4397 5.4397 5.6122 5.6132 6.4932 6.4932 9.2117 9.2117 9.8992 9.8992 9.9527 9.9529 k = 0.0000 0.0000 0.2933 ( 2714 PWs) bands (ev): -24.9395 -24.9395 -8.6325 -8.6325 -8.3874 -8.3874 -8.3188 -8.3188 -5.1709 -5.1709 -1.6759 -1.6740 -1.4637 -1.4637 -1.3814 -1.3814 -1.1700 -1.1678 -1.0895 -1.0895 2.7939 2.7939 5.4443 5.4443 5.6171 5.6181 6.5138 6.5138 9.2915 9.2915 9.8818 9.8818 9.9350 9.9351 k = 0.0000 0.0000 0.3066 ( 2726 PWs) bands (ev): -24.9395 -24.9395 -8.6345 -8.6345 -8.3891 -8.3891 -8.3187 -8.3187 -5.1616 -5.1616 -1.6759 -1.6742 -1.4631 -1.4631 -1.3815 -1.3815 -1.1700 -1.1680 -1.0881 -1.0881 2.7521 2.7521 5.4485 5.4485 5.6218 5.6226 6.5325 6.5325 9.3640 9.3640 9.8663 9.8663 9.9192 9.9194 k = 0.0000 0.0000 0.3199 ( 2726 PWs) bands (ev): -24.9395 -24.9395 -8.6363 -8.6363 -8.3907 -8.3907 -8.3187 -8.3186 -5.1531 -5.1531 -1.6760 -1.6744 -1.4625 -1.4625 -1.3816 -1.3816 -1.1699 -1.1681 -1.0866 -1.0866 2.7148 2.7148 5.4523 5.4523 5.6260 5.6268 6.5492 6.5492 9.4284 9.4284 9.8527 9.8527 9.9055 9.9056 k = 0.0000 0.0000 0.3333 ( 2732 PWs) bands (ev): -24.9395 -24.9395 -8.6379 -8.6379 -8.3920 -8.3920 -8.3186 -8.3186 -5.1456 -5.1456 -1.6760 -1.6746 -1.4620 -1.4620 -1.3817 -1.3817 -1.1699 -1.1683 -1.0853 -1.0853 2.6820 2.6820 5.4558 5.4558 5.6297 5.6304 6.5638 6.5638 9.4841 9.4841 9.8409 9.8409 9.8936 9.8937 k = 0.0000 0.0000 0.3466 ( 2738 PWs) bands (ev): -24.9395 -24.9395 -8.6393 -8.6393 -8.3932 -8.3932 -8.3186 -8.3185 -5.1390 -5.1390 -1.6760 -1.6748 -1.4616 -1.4616 -1.3818 -1.3818 -1.1698 -1.1684 -1.0842 -1.0842 2.6541 2.6541 5.4588 5.4588 5.6330 5.6336 6.5763 6.5763 9.5310 9.5310 9.8311 9.8311 9.8836 9.8837 k = 0.0000 0.0000 0.3599 ( 2732 PWs) bands (ev): -24.9395 -24.9395 -8.6404 -8.6404 -8.3941 -8.3941 -8.3185 -8.3185 -5.1336 -5.1336 -1.6759 -1.6750 -1.4612 -1.4612 -1.3819 -1.3819 -1.1697 -1.1686 -1.0832 -1.0832 2.6311 2.6311 5.4612 5.4612 5.6358 5.6363 6.5866 6.5866 9.5689 9.5689 9.8231 9.8231 9.8756 9.8756 k = 0.0000 0.0000 0.3732 ( 2732 PWs) bands (ev): -24.9395 -24.9395 -8.6413 -8.6413 -8.3949 -8.3949 -8.3185 -8.3185 -5.1293 -5.1293 -1.6758 -1.6751 -1.4609 -1.4609 -1.3820 -1.3820 -1.1696 -1.1687 -1.0824 -1.0824 2.6130 2.6130 5.4632 5.4632 5.6379 5.6383 6.5946 6.5946 9.5980 9.5980 9.8170 9.8170 9.8693 9.8694 k = 0.0000 0.0000 0.3866 ( 2732 PWs) bands (ev): -24.9395 -24.9395 -8.6420 -8.6420 -8.3954 -8.3954 -8.3184 -8.3184 -5.1262 -5.1262 -1.6758 -1.6753 -1.4607 -1.4607 -1.3820 -1.3820 -1.1694 -1.1689 -1.0818 -1.0818 2.6001 2.6001 5.4646 5.4646 5.6395 5.6398 6.6004 6.6004 9.6185 9.6185 9.8127 9.8127 9.8649 9.8649 k = 0.0000 0.0000 0.3999 ( 2744 PWs) bands (ev): -24.9395 -24.9395 -8.6424 -8.6424 -8.3957 -8.3957 -8.3184 -8.3184 -5.1244 -5.1244 -1.6757 -1.6755 -1.4606 -1.4606 -1.3821 -1.3821 -1.1693 -1.1691 -1.0815 -1.0815 2.5923 2.5923 5.4655 5.4655 5.6405 5.6407 6.6039 6.6039 9.6306 9.6306 9.8101 9.8101 9.8622 9.8623 k = 0.0000 0.0000 0.4132 ( 2744 PWs) bands (ev): -24.9395 -24.9395 -8.6425 -8.6425 -8.3958 -8.3958 -8.3184 -8.3184 -5.1237 -5.1237 -1.6756 -1.6756 -1.4606 -1.4606 -1.3821 -1.3821 -1.1692 -1.1692 -1.0814 -1.0814 2.5897 2.5897 5.4658 5.4658 5.6409 5.6409 6.6051 6.6051 9.6347 9.6347 9.8092 9.8092 9.8614 9.8614 k = 0.0000 0.0000 0.4132 ( 2744 PWs) bands (ev): -24.9395 -24.9395 -8.6425 -8.6425 -8.3958 -8.3958 -8.3184 -8.3184 -5.1237 -5.1237 -1.6756 -1.6756 -1.4606 -1.4606 -1.3821 -1.3821 -1.1692 -1.1692 -1.0814 -1.0814 2.5897 2.5897 5.4658 5.4658 5.6409 5.6409 6.6051 6.6051 9.6347 9.6347 9.8092 9.8092 9.8614 9.8614 k = 0.0116 0.0067 0.4132 ( 2736 PWs) bands (ev): -24.9394 -24.9394 -8.6425 -8.6425 -8.3958 -8.3958 -8.3186 -8.3186 -5.1231 -5.1231 -1.6754 -1.6754 -1.4607 -1.4607 -1.3818 -1.3818 -1.1692 -1.1692 -1.0814 -1.0814 2.5914 2.5914 5.4512 5.4512 5.6253 5.6253 6.6303 6.6303 9.6310 9.6310 9.8121 9.8121 9.8644 9.8644 k = 0.0233 0.0134 0.4132 ( 2736 PWs) bands (ev): -24.9394 -24.9394 -8.6424 -8.6424 -8.3959 -8.3959 -8.3190 -8.3190 -5.1212 -5.1212 -1.6751 -1.6751 -1.4612 -1.4612 -1.3811 -1.3811 -1.1694 -1.1694 -1.0813 -1.0813 2.5966 2.5966 5.4026 5.4026 5.5904 5.5904 6.6990 6.6990 9.6198 9.6198 9.8199 9.8199 9.8747 9.8747 k = 0.0349 0.0201 0.4132 ( 2728 PWs) bands (ev): -24.9393 -24.9393 -8.6423 -8.6423 -8.3960 -8.3960 -8.3197 -8.3197 -5.1180 -5.1180 -1.6745 -1.6745 -1.4619 -1.4619 -1.3798 -1.3798 -1.1697 -1.1697 -1.0811 -1.0811 2.6051 2.6051 5.3159 5.3159 5.5544 5.5544 6.7969 6.7969 9.6007 9.6007 9.8297 9.8297 9.8951 9.8951 k = 0.0465 0.0269 0.4132 ( 2732 PWs) bands (ev): -24.9392 -24.9392 -8.6421 -8.6421 -8.3961 -8.3961 -8.3206 -8.3206 -5.1136 -5.1136 -1.6737 -1.6737 -1.4629 -1.4629 -1.3781 -1.3781 -1.1702 -1.1702 -1.0809 -1.0809 2.6171 2.6171 5.1996 5.1996 5.5213 5.5213 6.9115 6.9115 9.5732 9.5732 9.8404 9.8404 9.9275 9.9275 k = 0.0581 0.0336 0.4132 ( 2738 PWs) bands (ev): -24.9391 -24.9391 -8.6419 -8.6419 -8.3963 -8.3963 -8.3219 -8.3219 -5.1079 -5.1079 -1.6727 -1.6727 -1.4641 -1.4641 -1.3761 -1.3761 -1.1708 -1.1708 -1.0806 -1.0806 2.6324 2.6324 5.0652 5.0652 5.4880 5.4880 7.0340 7.0340 9.5368 9.5368 9.8526 9.8526 9.9714 9.9714 k = 0.0698 0.0403 0.4132 ( 2746 PWs) bands (ev): -24.9389 -24.9389 -8.6417 -8.6417 -8.3965 -8.3965 -8.3234 -8.3234 -5.1009 -5.1009 -1.6714 -1.6714 -1.4655 -1.4655 -1.3736 -1.3736 -1.1715 -1.1715 -1.0803 -1.0803 2.6511 2.6511 4.9203 4.9203 5.4522 5.4522 7.1589 7.1589 9.4911 9.4911 9.8683 9.8683 10.0258 10.0258 k = 0.0814 0.0470 0.4132 ( 2744 PWs) bands (ev): -24.9387 -24.9387 -8.6415 -8.6415 -8.3967 -8.3967 -8.3251 -8.3251 -5.0928 -5.0928 -1.6699 -1.6699 -1.4670 -1.4670 -1.3708 -1.3708 -1.1722 -1.1722 -1.0799 -1.0799 2.6730 2.6730 4.7691 4.7691 5.4132 5.4132 7.2821 7.2821 9.4361 9.4361 9.8890 9.8890 10.0897 10.0897 k = 0.0930 0.0537 0.4132 ( 2744 PWs) bands (ev): -24.9385 -24.9385 -8.6413 -8.6413 -8.3970 -8.3970 -8.3270 -8.3270 -5.0834 -5.0834 -1.6682 -1.6682 -1.4686 -1.4686 -1.3676 -1.3676 -1.1731 -1.1731 -1.0793 -1.0793 2.6982 2.6982 4.6143 4.6143 5.3708 5.3708 7.4009 7.4009 9.3721 9.3721 9.9164 9.9164 10.1623 10.1623 k = 0.1047 0.0604 0.4132 ( 2740 PWs) bands (ev): -24.9383 -24.9383 -8.6411 -8.6411 -8.3972 -8.3972 -8.3290 -8.3290 -5.0729 -5.0729 -1.6662 -1.6662 -1.4702 -1.4702 -1.3641 -1.3641 -1.1741 -1.1741 -1.0787 -1.0787 2.7265 2.7265 4.4573 4.4573 5.3252 5.3252 7.5129 7.5129 9.3000 9.3000 9.9522 9.9522 10.2429 10.2429 k = 0.1163 0.0671 0.4132 ( 2742 PWs) bands (ev): -24.9380 -24.9380 -8.6409 -8.6409 -8.3975 -8.3975 -8.3313 -8.3313 -5.0612 -5.0612 -1.6641 -1.6641 -1.4719 -1.4719 -1.3604 -1.3604 -1.1751 -1.1751 -1.0781 -1.0781 2.7579 2.7579 4.2994 4.2994 5.2768 5.2768 7.6161 7.6161 9.2206 9.2206 9.9979 9.9979 10.3308 10.3308 k = 0.1279 0.0738 0.4132 ( 2742 PWs) bands (ev): -24.9377 -24.9377 -8.6408 -8.6408 -8.3979 -8.3979 -8.3336 -8.3336 -5.0484 -5.0484 -1.6617 -1.6617 -1.4736 -1.4736 -1.3564 -1.3564 -1.1762 -1.1762 -1.0773 -1.0773 2.7924 2.7924 4.1413 4.1413 5.2260 5.2260 7.7090 7.7090 9.1351 9.1351 10.0549 10.0549 10.4254 10.4254 k = 0.1395 0.0806 0.4132 ( 2746 PWs) bands (ev): -24.9374 -24.9374 -8.6407 -8.6407 -8.3982 -8.3982 -8.3361 -8.3361 -5.0345 -5.0345 -1.6591 -1.6591 -1.4753 -1.4753 -1.3522 -1.3522 -1.1774 -1.1774 -1.0764 -1.0764 2.8298 2.8298 3.9836 3.9836 5.1731 5.1731 7.7905 7.7905 9.0445 9.0445 10.1240 10.1240 10.5259 10.5259 k = 0.1512 0.0873 0.4132 ( 2738 PWs) bands (ev): -24.9370 -24.9370 -8.6407 -8.6407 -8.3986 -8.3986 -8.3385 -8.3385 -5.0196 -5.0196 -1.6563 -1.6563 -1.4769 -1.4769 -1.3477 -1.3477 -1.1786 -1.1786 -1.0754 -1.0754 2.8700 2.8700 3.8267 3.8267 5.1187 5.1187 7.8601 7.8601 8.9500 8.9500 10.2058 10.2058 10.6315 10.6315 k = 0.1628 0.0940 0.4132 ( 2738 PWs) bands (ev): -24.9367 -24.9367 -8.6409 -8.6409 -8.3990 -8.3990 -8.3411 -8.3411 -5.0037 -5.0037 -1.6534 -1.6534 -1.4784 -1.4784 -1.3431 -1.3431 -1.1798 -1.1798 -1.0742 -1.0742 2.9129 2.9129 3.6711 3.6711 5.0630 5.0630 7.9176 7.9176 8.8524 8.8524 10.3004 10.3004 10.7395 10.7395 k = 0.1744 0.1007 0.4132 ( 2736 PWs) bands (ev): -24.9363 -24.9363 -8.6411 -8.6411 -8.3995 -8.3995 -8.3436 -8.3436 -4.9869 -4.9869 -1.6502 -1.6502 -1.4798 -1.4798 -1.3383 -1.3383 -1.1810 -1.1810 -1.0729 -1.0729 2.9582 2.9582 3.5173 3.5173 5.0066 5.0066 7.9637 7.9637 8.7525 8.7525 10.4073 10.4073 10.8155 10.8155 k = 0.1860 0.1074 0.4132 ( 2732 PWs) bands (ev): -24.9359 -24.9359 -8.6415 -8.6415 -8.4000 -8.4000 -8.3460 -8.3460 -4.9692 -4.9692 -1.6468 -1.6468 -1.4811 -1.4811 -1.3333 -1.3333 -1.1822 -1.1822 -1.0715 -1.0715 3.0054 3.0054 3.3658 3.3658 4.9496 4.9496 7.9990 7.9990 8.6511 8.6511 10.5255 10.5255 10.8541 10.8541 k = 0.1977 0.1141 0.4132 ( 2726 PWs) bands (ev): -24.9355 -24.9355 -8.6420 -8.6420 -8.4005 -8.4005 -8.3483 -8.3483 -4.9507 -4.9507 -1.6432 -1.6432 -1.4823 -1.4823 -1.3282 -1.3282 -1.1833 -1.1833 -1.0699 -1.0699 3.0521 3.0521 3.2194 3.2194 4.8926 4.8926 8.0246 8.0246 8.5487 8.5487 10.6538 10.6538 10.8942 10.8942 k = 0.2093 0.1208 0.4132 ( 2726 PWs) bands (ev): -24.9351 -24.9351 -8.6426 -8.6426 -8.4012 -8.4012 -8.3505 -8.3505 -4.9314 -4.9314 -1.6395 -1.6395 -1.4834 -1.4834 -1.3229 -1.3229 -1.1844 -1.1844 -1.0681 -1.0681 3.0455 3.0455 3.1309 3.1309 4.8357 4.8357 8.0419 8.0419 8.4458 8.4458 10.7904 10.7904 10.9384 10.9384 k = 0.2209 0.1276 0.4132 ( 2722 PWs) bands (ev): -24.9347 -24.9347 -8.6434 -8.6434 -8.4019 -8.4019 -8.3526 -8.3526 -4.9115 -4.9115 -1.6356 -1.6356 -1.4842 -1.4842 -1.3176 -1.3176 -1.1854 -1.1854 -1.0661 -1.0661 2.9128 2.9128 3.1731 3.1731 4.7793 4.7793 8.0519 8.0519 8.3429 8.3429 10.9308 10.9308 10.9895 10.9895 k = 0.2326 0.1343 0.4132 ( 2730 PWs) bands (ev): -24.9343 -24.9343 -8.6444 -8.6444 -8.4027 -8.4027 -8.3544 -8.3544 -4.8910 -4.8910 -1.6316 -1.6316 -1.4850 -1.4850 -1.3122 -1.3122 -1.1864 -1.1864 -1.0639 -1.0639 2.7717 2.7717 3.2286 3.2286 4.7236 4.7236 8.0555 8.0555 8.2406 8.2406 11.0263 11.0263 11.0942 11.0942 k = 0.2442 0.1410 0.4132 ( 2726 PWs) bands (ev): -24.9339 -24.9339 -8.6456 -8.6456 -8.4037 -8.4037 -8.3560 -8.3560 -4.8700 -4.8700 -1.6274 -1.6274 -1.4854 -1.4854 -1.3067 -1.3067 -1.1873 -1.1873 -1.0614 -1.0614 2.6321 2.6321 3.2871 3.2871 4.6689 4.6689 8.0523 8.0523 8.1409 8.1409 11.0819 11.0819 11.2453 11.2453 k = 0.2558 0.1477 0.4132 ( 2724 PWs) bands (ev): -24.9334 -24.9334 -8.6468 -8.6468 -8.4047 -8.4047 -8.3573 -8.3573 -4.8486 -4.8486 -1.6232 -1.6232 -1.4857 -1.4857 -1.3012 -1.3012 -1.1880 -1.1880 -1.0587 -1.0587 2.4953 2.4953 3.3478 3.3478 4.6153 4.6153 8.0197 8.0197 8.0673 8.0673 11.1369 11.1369 11.4012 11.4012 k = 0.2674 0.1544 0.4132 ( 2722 PWs) bands (ev): -24.9330 -24.9330 -8.6483 -8.6483 -8.4059 -8.4059 -8.3584 -8.3584 -4.8270 -4.8270 -1.6188 -1.6188 -1.4858 -1.4858 -1.2957 -1.2957 -1.1886 -1.1886 -1.0557 -1.0557 2.3617 2.3617 3.4102 3.4102 4.5631 4.5631 7.9280 7.9280 8.0506 8.0506 11.1927 11.1927 11.5575 11.5575 k = 0.2791 0.1611 0.4132 ( 2718 PWs) bands (ev): -24.9326 -24.9326 -8.6498 -8.6498 -8.4071 -8.4071 -8.3592 -8.3592 -4.8051 -4.8051 -1.6144 -1.6144 -1.4856 -1.4856 -1.2903 -1.2903 -1.1890 -1.1890 -1.0523 -1.0523 2.2314 2.2314 3.4740 3.4740 4.5126 4.5126 7.8295 7.8295 8.0397 8.0397 11.2490 11.2490 11.7111 11.7111 k = 0.2907 0.1678 0.4132 ( 2726 PWs) bands (ev): -24.9322 -24.9322 -8.6515 -8.6515 -8.4085 -8.4085 -8.3598 -8.3598 -4.7832 -4.7832 -1.6100 -1.6100 -1.4852 -1.4852 -1.2849 -1.2849 -1.1893 -1.1893 -1.0486 -1.0486 2.1049 2.1049 3.5390 3.5390 4.4637 4.4637 7.7312 7.7312 8.0281 8.0281 11.3051 11.3051 11.8581 11.8581 k = 0.3023 0.1745 0.4132 ( 2726 PWs) bands (ev): -24.9318 -24.9318 -8.6532 -8.6532 -8.4099 -8.4099 -8.3601 -8.3601 -4.7613 -4.7613 -1.6057 -1.6057 -1.4844 -1.4844 -1.2797 -1.2797 -1.1894 -1.1894 -1.0445 -1.0445 1.9823 1.9823 3.6048 3.6048 4.4169 4.4169 7.6341 7.6341 8.0157 8.0157 11.3600 11.3600 11.9925 11.9925 k = 0.3140 0.1813 0.4132 ( 2728 PWs) bands (ev): -24.9314 -24.9314 -8.6551 -8.6551 -8.4114 -8.4114 -8.3602 -8.3602 -4.7397 -4.7397 -1.6014 -1.6014 -1.4834 -1.4834 -1.2747 -1.2747 -1.1893 -1.1893 -1.0399 -1.0399 1.8638 1.8638 3.6712 3.6712 4.3721 4.3721 7.5385 7.5385 8.0026 8.0026 11.4124 11.4124 12.0780 12.0780 k = 0.3256 0.1880 0.4132 ( 2728 PWs) bands (ev): -24.9310 -24.9310 -8.6570 -8.6570 -8.4129 -8.4129 -8.3601 -8.3601 -4.7184 -4.7184 -1.5972 -1.5972 -1.4821 -1.4821 -1.2699 -1.2699 -1.1890 -1.1890 -1.0349 -1.0349 1.7498 1.7498 3.7379 3.7379 4.3297 4.3297 7.4447 7.4447 7.9893 7.9893 11.4608 11.4608 12.1450 12.1450 k = 0.3372 0.1947 0.4132 ( 2716 PWs) bands (ev): -24.9306 -24.9306 -8.6589 -8.6589 -8.4144 -8.4144 -8.3598 -8.3598 -4.6975 -4.6975 -1.5932 -1.5932 -1.4805 -1.4805 -1.2653 -1.2653 -1.1884 -1.1884 -1.0294 -1.0294 1.6405 1.6405 3.8043 3.8043 4.2899 4.2899 7.3530 7.3530 7.9759 7.9759 11.5035 11.5035 12.2129 12.2129 k = 0.3488 0.2014 0.4132 ( 2716 PWs) bands (ev): -24.9303 -24.9303 -8.6608 -8.6608 -8.4159 -8.4159 -8.3595 -8.3595 -4.6772 -4.6772 -1.5894 -1.5894 -1.4787 -1.4787 -1.2611 -1.2611 -1.1877 -1.1877 -1.0234 -1.0234 1.5362 1.5362 3.8699 3.8699 4.2529 4.2529 7.2637 7.2637 7.9627 7.9627 11.5386 11.5386 12.2813 12.2813 k = 0.3605 0.2081 0.4132 ( 2718 PWs) bands (ev): -24.9299 -24.9299 -8.6627 -8.6627 -8.4174 -8.4174 -8.3590 -8.3590 -4.6577 -4.6577 -1.5859 -1.5859 -1.4765 -1.4765 -1.2573 -1.2573 -1.1869 -1.1869 -1.0170 -1.0170 1.4372 1.4372 3.9337 3.9337 4.2195 4.2195 7.1771 7.1771 7.9499 7.9499 11.5648 11.5648 12.3236 12.3236 k = 0.3721 0.2148 0.4132 ( 2714 PWs) bands (ev): -24.9296 -24.9296 -8.6646 -8.6646 -8.4187 -8.4187 -8.3585 -8.3585 -4.6391 -4.6391 -1.5826 -1.5826 -1.4742 -1.4742 -1.2537 -1.2537 -1.1858 -1.1858 -1.0102 -1.0102 1.3439 1.3439 3.9939 3.9939 4.1912 4.1912 7.0936 7.0936 7.9376 7.9376 11.5813 11.5813 12.3313 12.3313 k = 0.3837 0.2215 0.4132 ( 2728 PWs) bands (ev): -24.9294 -24.9294 -8.6664 -8.6664 -8.4201 -8.4201 -8.3579 -8.3579 -4.6215 -4.6215 -1.5797 -1.5797 -1.4717 -1.4717 -1.2506 -1.2506 -1.1847 -1.1847 -1.0030 -1.0030 1.2566 1.2566 4.0450 4.0450 4.1728 4.1728 7.0137 7.0137 7.9261 7.9261 11.5884 11.5884 12.3313 12.3313 k = 0.3953 0.2283 0.4132 ( 2724 PWs) bands (ev): -24.9291 -24.9291 -8.6681 -8.6681 -8.4213 -8.4213 -8.3573 -8.3573 -4.6051 -4.6051 -1.5771 -1.5771 -1.4691 -1.4691 -1.2478 -1.2478 -1.1835 -1.1835 -0.9955 -0.9955 1.1756 1.1756 4.0720 4.0720 4.1791 4.1791 6.9379 6.9379 7.9153 7.9153 11.5876 11.5876 12.3263 12.3263 k = 0.4070 0.2350 0.4132 ( 2724 PWs) bands (ev): -24.9288 -24.9288 -8.6697 -8.6697 -8.4224 -8.4224 -8.3567 -8.3567 -4.5901 -4.5901 -1.5749 -1.5749 -1.4665 -1.4665 -1.2454 -1.2454 -1.1823 -1.1823 -0.9879 -0.9879 1.1015 1.1015 4.0688 4.0688 4.2154 4.2154 6.8667 6.8667 7.9055 7.9055 11.5809 11.5809 12.3185 12.3185 k = 0.4186 0.2417 0.4132 ( 2724 PWs) bands (ev): -24.9286 -24.9286 -8.6712 -8.6712 -8.4234 -8.4234 -8.3562 -8.3562 -4.5764 -4.5764 -1.5729 -1.5729 -1.4640 -1.4640 -1.2433 -1.2433 -1.1811 -1.1811 -0.9804 -0.9804 1.0346 1.0346 4.0543 4.0543 4.2621 4.2621 6.8010 6.8010 7.8967 7.8967 11.5704 11.5704 12.3095 12.3095 k = 0.4302 0.2484 0.4132 ( 2724 PWs) bands (ev): -24.9284 -24.9284 -8.6725 -8.6725 -8.4243 -8.4243 -8.3557 -8.3557 -4.5643 -4.5643 -1.5712 -1.5712 -1.4616 -1.4616 -1.2416 -1.2416 -1.1799 -1.1799 -0.9731 -0.9731 0.9754 0.9754 4.0383 4.0383 4.3086 4.3086 6.7414 6.7414 7.8889 7.8889 11.5580 11.5580 12.3004 12.3004 k = 0.4419 0.2551 0.4132 ( 2720 PWs) bands (ev): -24.9283 -24.9283 -8.6736 -8.6736 -8.4250 -8.4250 -8.3552 -8.3552 -4.5539 -4.5539 -1.5699 -1.5699 -1.4593 -1.4593 -1.2401 -1.2401 -1.1789 -1.1789 -0.9663 -0.9663 0.9243 0.9243 4.0235 4.0235 4.3514 4.3514 6.6888 6.6888 7.8822 7.8822 11.5452 11.5452 12.2919 12.2919 k = 0.4535 0.2618 0.4132 ( 2724 PWs) bands (ev): -24.9281 -24.9281 -8.6745 -8.6745 -8.4257 -8.4257 -8.3548 -8.3548 -4.5452 -4.5452 -1.5688 -1.5688 -1.4575 -1.4575 -1.2389 -1.2389 -1.1780 -1.1780 -0.9603 -0.9603 0.8818 0.8818 4.0110 4.0110 4.3886 4.3886 6.6440 6.6440 7.8767 7.8767 11.5334 11.5334 12.2845 12.2845 k = 0.4651 0.2685 0.4132 ( 2728 PWs) bands (ev): -24.9280 -24.9280 -8.6753 -8.6753 -8.4262 -8.4262 -8.3545 -8.3545 -4.5384 -4.5384 -1.5679 -1.5679 -1.4559 -1.4559 -1.2381 -1.2381 -1.1773 -1.1773 -0.9553 -0.9553 0.8482 0.8482 4.0010 4.0010 4.4189 4.4189 6.6081 6.6081 7.8724 7.8724 11.5234 11.5234 12.2785 12.2785 k = 0.4767 0.2752 0.4132 ( 2720 PWs) bands (ev): -24.9279 -24.9279 -8.6758 -8.6758 -8.4265 -8.4265 -8.3543 -8.3543 -4.5335 -4.5335 -1.5673 -1.5673 -1.4548 -1.4548 -1.2374 -1.2374 -1.1767 -1.1767 -0.9515 -0.9515 0.8240 0.8240 3.9938 3.9938 4.4413 4.4413 6.5817 6.5817 7.8693 7.8693 11.5158 11.5158 12.2741 12.2741 k = 0.4884 0.2820 0.4132 ( 2720 PWs) bands (ev): -24.9279 -24.9279 -8.6762 -8.6762 -8.4267 -8.4267 -8.3542 -8.3542 -4.5305 -4.5305 -1.5670 -1.5670 -1.4541 -1.4541 -1.2370 -1.2370 -1.1764 -1.1764 -0.9492 -0.9492 0.8093 0.8093 3.9894 3.9894 4.4551 4.4551 6.5656 6.5656 7.8675 7.8675 11.5111 11.5111 12.2713 12.2713 k = 0.5000 0.2887 0.4132 ( 2724 PWs) bands (ev): -24.9279 -24.9279 -8.6763 -8.6763 -8.4268 -8.4268 -8.3541 -8.3541 -4.5295 -4.5295 -1.5669 -1.5669 -1.4538 -1.4538 -1.2369 -1.2369 -1.1763 -1.1763 -0.9484 -0.9484 0.8044 0.8044 3.9880 3.9880 4.4597 4.4597 6.5602 6.5602 7.8668 7.8668 11.5095 11.5095 12.2704 12.2704 k = 0.5000 0.2887 0.4132 ( 2724 PWs) bands (ev): -24.9279 -24.9279 -8.6763 -8.6763 -8.4268 -8.4268 -8.3541 -8.3541 -4.5295 -4.5295 -1.5669 -1.5669 -1.4538 -1.4538 -1.2369 -1.2369 -1.1763 -1.1763 -0.9484 -0.9484 0.8044 0.8044 3.9880 3.9880 4.4597 4.4597 6.5602 6.5602 7.8668 7.8668 11.5095 11.5095 12.2704 12.2704 k = 0.4933 0.3002 0.4132 ( 2720 PWs) bands (ev): -24.9279 -24.9279 -8.6763 -8.6762 -8.4269 -8.4267 -8.3542 -8.3542 -4.5295 -4.5289 -1.5679 -1.5659 -1.4614 -1.4461 -1.2381 -1.2358 -1.1773 -1.1754 -0.9542 -0.9420 0.8034 0.8060 3.9783 3.9839 4.4598 4.4607 6.5608 6.5615 7.8760 7.8795 11.5045 11.5050 12.2705 12.2714 k = 0.4867 0.3118 0.4132 ( 2716 PWs) bands (ev): -24.9278 -24.9278 -8.6763 -8.6760 -8.4270 -8.4266 -8.3544 -8.3544 -4.5288 -4.5276 -1.5689 -1.5650 -1.4687 -1.4381 -1.2393 -1.2346 -1.1785 -1.1746 -0.9595 -0.9350 0.8028 0.8080 3.9553 3.9664 4.4610 4.4627 6.5633 6.5646 7.9066 7.9136 11.4897 11.4907 12.2716 12.2734 k = 0.4800 0.3233 0.4132 ( 2720 PWs) bands (ev): -24.9278 -24.9278 -8.6763 -8.6758 -8.4271 -8.4266 -8.3547 -8.3547 -4.5275 -4.5256 -1.5699 -1.5641 -1.4758 -1.4301 -1.2404 -1.2335 -1.1797 -1.1740 -0.9642 -0.9277 0.8026 0.8105 3.9197 3.9359 4.4634 4.4658 6.5676 6.5696 7.9580 7.9684 11.4643 11.4657 12.2737 12.2764 k = 0.4733 0.3349 0.4132 ( 2720 PWs) bands (ev): -24.9278 -24.9278 -8.6762 -8.6756 -8.4273 -8.4266 -8.3552 -8.3552 -4.5255 -4.5231 -1.5709 -1.5633 -1.4826 -1.4221 -1.2416 -1.2324 -1.1810 -1.1735 -0.9683 -0.9198 0.8028 0.8134 3.8727 3.8938 4.4672 4.4700 6.5737 6.5763 8.0289 8.0425 11.4275 11.4292 12.2766 12.2803 k = 0.4667 0.3464 0.4132 ( 2712 PWs) bands (ev): -24.9277 -24.9277 -8.6761 -8.6753 -8.4275 -8.4266 -8.3558 -8.3557 -4.5229 -4.5199 -1.5719 -1.5626 -1.4890 -1.4139 -1.2427 -1.2313 -1.1824 -1.1731 -0.9717 -0.9115 0.8034 0.8167 3.8158 3.8414 4.4723 4.4753 6.5814 6.5847 8.1178 8.1344 11.3784 11.3803 12.2801 12.2849 k = 0.4600 0.3580 0.4132 ( 2716 PWs) bands (ev): -24.9277 -24.9277 -8.6759 -8.6750 -8.4277 -8.4266 -8.3565 -8.3564 -4.5198 -4.5161 -1.5729 -1.5620 -1.4951 -1.4058 -1.2437 -1.2303 -1.1838 -1.1729 -0.9746 -0.9030 0.8043 0.8204 3.7506 3.7806 4.4786 4.4818 6.5907 6.5946 8.2229 8.2425 11.3172 11.3193 12.2837 12.2898 k = 0.4533 0.3695 0.4132 ( 2716 PWs) bands (ev): -24.9276 -24.9276 -8.6757 -8.6747 -8.4280 -8.4267 -8.3573 -8.3572 -4.5161 -4.5119 -1.5738 -1.5615 -1.5007 -1.3977 -1.2448 -1.2294 -1.1853 -1.1729 -0.9769 -0.8940 0.8053 0.8244 3.6789 3.7129 4.4863 4.4895 6.6013 6.6060 8.3425 8.3650 11.2448 11.2470 12.2869 12.2948 k = 0.4467 0.3811 0.4132 ( 2716 PWs) bands (ev): -24.9276 -24.9276 -8.6755 -8.6743 -8.4283 -8.4268 -8.3581 -8.3579 -4.5119 -4.5071 -1.5748 -1.5612 -1.5059 -1.3897 -1.2457 -1.2286 -1.1868 -1.1729 -0.9786 -0.8848 0.8065 0.8285 3.6024 3.6402 4.4952 4.4983 6.6132 6.6186 8.4748 8.5003 11.1631 11.1655 12.2883 12.2989 k = 0.4400 0.3926 0.4132 ( 2712 PWs) bands (ev): -24.9275 -24.9275 -8.6753 -8.6739 -8.4287 -8.4270 -8.3590 -8.3588 -4.5073 -4.5020 -1.5756 -1.5610 -1.5106 -1.3818 -1.2466 -1.2278 -1.1882 -1.1731 -0.9797 -0.8754 0.8078 0.8328 3.5226 3.5642 4.5051 4.5082 6.6261 6.6321 8.6182 8.6465 11.0745 11.0770 12.2880 12.2951 k = 0.4333 0.4041 0.4132 ( 2712 PWs) bands (ev): -24.9274 -24.9274 -8.6750 -8.6736 -8.4291 -8.4272 -8.3599 -8.3596 -4.5024 -4.4964 -1.5764 -1.5610 -1.5148 -1.3741 -1.2474 -1.2271 -1.1897 -1.1734 -0.9803 -0.8658 0.8089 0.8370 3.4411 3.4863 4.5161 4.5190 6.6398 6.6465 8.7712 8.8024 10.9815 10.9842 12.2889 12.2925 k = 0.4267 0.4157 0.4132 ( 2712 PWs) bands (ev): -24.9273 -24.9273 -8.6748 -8.6732 -8.4296 -8.4275 -8.3608 -8.3604 -4.4971 -4.4906 -1.5772 -1.5612 -1.5184 -1.3665 -1.2481 -1.2265 -1.1911 -1.1739 -0.9803 -0.8561 0.8098 0.8411 3.3591 3.4079 4.5280 4.5307 6.6539 6.6614 8.9322 8.9665 10.8862 10.8892 12.2907 12.2916 k = 0.4200 0.4272 0.4132 ( 2722 PWs) bands (ev): -24.9272 -24.9272 -8.6746 -8.6728 -8.4301 -8.4279 -8.3616 -8.3612 -4.4915 -4.4845 -1.5779 -1.5616 -1.5216 -1.3593 -1.2488 -1.2260 -1.1925 -1.1744 -0.9799 -0.8464 0.8104 0.8449 3.2781 3.3304 4.5407 4.5432 6.6684 6.6765 9.0998 9.1374 10.7908 10.7940 12.2833 12.2875 k = 0.4133 0.4388 0.4132 ( 2726 PWs) bands (ev): -24.9272 -24.9272 -8.6743 -8.6724 -8.4307 -8.4283 -8.3625 -8.3620 -4.4858 -4.4784 -1.5785 -1.5621 -1.5242 -1.3522 -1.2493 -1.2255 -1.1938 -1.1750 -0.9791 -0.8368 0.8106 0.8483 3.1990 3.2549 4.5540 4.5563 6.6827 6.6915 9.2727 9.3139 10.6970 10.7005 12.2646 12.2750 k = 0.4067 0.4503 0.4132 ( 2730 PWs) bands (ev): -24.9271 -24.9271 -8.6741 -8.6721 -8.4314 -8.4287 -8.3632 -8.3627 -4.4801 -4.4721 -1.5791 -1.5627 -1.5264 -1.3455 -1.2498 -1.2252 -1.1950 -1.1756 -0.9779 -0.8273 0.8102 0.8512 3.1230 3.1823 4.5678 4.5699 6.6967 6.7062 9.4497 9.4947 10.6062 10.6101 12.2340 12.2518 k = 0.4000 0.4619 0.4132 ( 2730 PWs) bands (ev): -24.9270 -24.9270 -8.6739 -8.6718 -8.4321 -8.4292 -8.3639 -8.3633 -4.4743 -4.4659 -1.5796 -1.5634 -1.5281 -1.3391 -1.2502 -1.2250 -1.1960 -1.1762 -0.9764 -0.8179 0.8092 0.8533 3.0509 3.1136 4.5818 4.5838 6.7100 6.7201 9.6292 9.6785 10.5197 10.5239 12.1901 12.2162 k = 0.3933 0.4734 0.4132 ( 2730 PWs) bands (ev): -24.9269 -24.9269 -8.6737 -8.6715 -8.4328 -8.4298 -8.3645 -8.3638 -4.4686 -4.4598 -1.5800 -1.5641 -1.5294 -1.3331 -1.2504 -1.2248 -1.1970 -1.1768 -0.9746 -0.8089 0.8075 0.8546 2.9836 3.0496 4.5960 4.5978 6.7224 6.7331 9.8099 9.8640 10.4385 10.4432 12.1332 12.1674 k = 0.3867 0.4850 0.4132 ( 2728 PWs) bands (ev): -24.9268 -24.9268 -8.6735 -8.6712 -8.4335 -8.4303 -8.3650 -8.3643 -4.4631 -4.4539 -1.5803 -1.5647 -1.5305 -1.3276 -1.2506 -1.2248 -1.1978 -1.1774 -0.9726 -0.8003 0.8050 0.8551 2.9219 2.9911 4.6101 4.6117 6.7335 6.7448 9.9901 10.0498 10.3638 10.3688 12.0646 12.1056 k = 0.3800 0.4965 0.4132 ( 2728 PWs) bands (ev): -24.9267 -24.9267 -8.6734 -8.6710 -8.4342 -8.4309 -8.3654 -8.3646 -4.4579 -4.4483 -1.5806 -1.5653 -1.5313 -1.3226 -1.2507 -1.2248 -1.1986 -1.1779 -0.9706 -0.7921 0.8018 0.8546 2.8664 2.9384 4.6237 4.6253 6.7432 6.7550 10.1680 10.2341 10.2961 10.3017 11.9866 12.0323 k = 0.3733 0.5081 0.4132 ( 2728 PWs) bands (ev): -24.9267 -24.9267 -8.6733 -8.6708 -8.4349 -8.4314 -8.3657 -8.3649 -4.4531 -4.4432 -1.5809 -1.5658 -1.5320 -1.3181 -1.2507 -1.2248 -1.1992 -1.1784 -0.9684 -0.7847 0.7981 0.8533 2.8176 2.8923 4.6368 4.6381 6.7512 6.7635 10.2363 10.2415 10.3426 10.4152 11.9017 11.9496 k = 0.3667 0.5196 0.4132 ( 2716 PWs) bands (ev): -24.9266 -24.9266 -8.6731 -8.6706 -8.4355 -8.4319 -8.3660 -8.3651 -4.4487 -4.4386 -1.5810 -1.5662 -1.5324 -1.3142 -1.2506 -1.2249 -1.1996 -1.1788 -0.9663 -0.7779 0.7939 0.8511 2.7760 2.8530 4.6488 4.6501 6.7574 6.7702 10.1850 10.1907 10.5095 10.5908 11.8123 11.8598 k = 0.3600 0.5312 0.4132 ( 2720 PWs) bands (ev): -24.9265 -24.9265 -8.6731 -8.6705 -8.4360 -8.4324 -8.3662 -8.3653 -4.4449 -4.4346 -1.5812 -1.5664 -1.5328 -1.3111 -1.2505 -1.2250 -1.2000 -1.1791 -0.9645 -0.7720 0.7895 0.8485 2.7419 2.8208 4.6596 4.6607 6.7620 6.7751 10.1425 10.1486 10.6666 10.7583 11.7212 11.7652 k = 0.3533 0.5427 0.4132 ( 2720 PWs) bands (ev): -24.9265 -24.9265 -8.6731 -8.6704 -8.4365 -8.4328 -8.3663 -8.3654 -4.4418 -4.4313 -1.5813 -1.5666 -1.5331 -1.3086 -1.2503 -1.2251 -1.2003 -1.1794 -0.9628 -0.7673 0.7852 0.8455 2.7154 2.7958 4.6687 4.6697 6.7649 6.7784 10.1094 10.1156 10.8094 10.9143 11.6319 11.6682 k = 0.3467 0.5543 0.4132 ( 2728 PWs) bands (ev): -24.9265 -24.9265 -8.6731 -8.6704 -8.4368 -8.4331 -8.3664 -8.3654 -4.4395 -4.4289 -1.5814 -1.5666 -1.5333 -1.3068 -1.2501 -1.2253 -1.2005 -1.1795 -0.9615 -0.7637 0.7816 0.8428 2.6966 2.7781 4.6757 4.6767 6.7665 6.7801 10.0856 10.0920 10.9307 11.0540 11.5502 11.5724 k = 0.3400 0.5658 0.4132 ( 2724 PWs) bands (ev): -24.9264 -24.9264 -8.6731 -8.6704 -8.4370 -8.4333 -8.3664 -8.3655 -4.4381 -4.4274 -1.5814 -1.5666 -1.5334 -1.3057 -1.2500 -1.2253 -1.2006 -1.1796 -0.9607 -0.7614 0.7790 0.8407 2.6855 2.7675 4.6802 4.6812 6.7670 6.7808 10.0715 10.0780 11.0177 11.1665 11.4872 11.4878 k = 0.3333 0.5774 0.4132 ( 2724 PWs) bands (ev): -24.9264 -24.9264 -8.6731 -8.6704 -8.4371 -8.4333 -8.3664 -8.3655 -4.4376 -4.4268 -1.5814 -1.5666 -1.5335 -1.3054 -1.2499 -1.2254 -1.2006 -1.1796 -0.9604 -0.7606 0.7780 0.8399 2.6818 2.7641 4.6818 4.6828 6.7671 6.7809 10.0668 10.0733 11.0500 11.2173 11.4457 11.4638 k = 0.3333 0.5774 0.4132 ( 2724 PWs) bands (ev): -24.9264 -24.9264 -8.6731 -8.6704 -8.4371 -8.4333 -8.3664 -8.3655 -4.4376 -4.4268 -1.5814 -1.5666 -1.5335 -1.3054 -1.2499 -1.2254 -1.2006 -1.1796 -0.9604 -0.7606 0.7780 0.8399 2.6818 2.7641 4.6818 4.6828 6.7671 6.7809 10.0668 10.0733 11.0500 11.2173 11.4457 11.4638 k = 0.3267 0.5658 0.4132 ( 2726 PWs) bands (ev): -24.9265 -24.9265 -8.6731 -8.6704 -8.4370 -8.4332 -8.3664 -8.3655 -4.4381 -4.4274 -1.5814 -1.5667 -1.5334 -1.3057 -1.2500 -1.2253 -1.2006 -1.1796 -0.9607 -0.7614 0.7792 0.8409 2.6854 2.7675 4.6801 4.6810 6.7672 6.7810 10.0714 10.0779 11.0213 11.1725 11.4810 11.4840 k = 0.3200 0.5543 0.4132 ( 2726 PWs) bands (ev): -24.9265 -24.9265 -8.6730 -8.6704 -8.4368 -8.4330 -8.3664 -8.3655 -4.4397 -4.4291 -1.5814 -1.5668 -1.5333 -1.3068 -1.2502 -1.2253 -1.2005 -1.1796 -0.9617 -0.7640 0.7831 0.8445 2.6959 2.7774 4.6746 4.6756 6.7681 6.7818 10.0850 10.0914 10.9533 11.0840 11.5263 11.5408 k = 0.3133 0.5427 0.4132 ( 2728 PWs) bands (ev): -24.9265 -24.9265 -8.6730 -8.6704 -8.4364 -8.4327 -8.3664 -8.3655 -4.4425 -4.4320 -1.5814 -1.5670 -1.5330 -1.3085 -1.2507 -1.2251 -1.2004 -1.1796 -0.9634 -0.7682 0.7903 0.8511 2.7129 2.7936 4.6649 4.6660 6.7705 6.7839 10.1073 10.1135 10.8672 10.9841 11.5698 11.5932 k = 0.3067 0.5312 0.4132 ( 2728 PWs) bands (ev): -24.9266 -24.9266 -8.6729 -8.6703 -8.4359 -8.4322 -8.3664 -8.3655 -4.4465 -4.4362 -1.5814 -1.5675 -1.5326 -1.3109 -1.2514 -1.2250 -1.2002 -1.1797 -0.9659 -0.7743 0.8014 0.8614 2.7361 2.8157 4.6507 4.6519 6.7750 6.7882 10.1377 10.1438 10.7731 10.8810 11.6049 11.6310 k = 0.3000 0.5196 0.4132 ( 2724 PWs) bands (ev): -24.9266 -24.9266 -8.6727 -8.6702 -8.4351 -8.4315 -8.3664 -8.3656 -4.4518 -4.4417 -1.5814 -1.5681 -1.5321 -1.3139 -1.2523 -1.2248 -1.2000 -1.1799 -0.9691 -0.7821 0.8168 0.8758 2.7652 2.8435 4.6318 4.6331 6.7823 6.7951 10.1758 10.1816 10.6756 10.7769 11.6282 11.6529 k = 0.2933 0.5081 0.4132 ( 2724 PWs) bands (ev): -24.9267 -24.9267 -8.6725 -8.6700 -8.4342 -8.4307 -8.3665 -8.3657 -4.4584 -4.4485 -1.5815 -1.5690 -1.5314 -1.3176 -1.2534 -1.2246 -1.1997 -1.1802 -0.9729 -0.7915 0.8369 0.8949 2.7996 2.8765 4.6079 4.6095 6.7931 6.8055 10.2210 10.2266 10.5767 10.6731 11.6384 11.6593 k = 0.2867 0.4965 0.4132 ( 2720 PWs) bands (ev): -24.9269 -24.9269 -8.6722 -8.6697 -8.4332 -8.4298 -8.3666 -8.3658 -4.4662 -4.4567 -1.5816 -1.5702 -1.5306 -1.3220 -1.2548 -1.2244 -1.1995 -1.1807 -0.9773 -0.8025 0.8620 0.9190 2.8390 2.9144 4.5791 4.5808 6.8078 6.8198 10.2727 10.2779 10.4777 10.5699 11.6356 11.6511 k = 0.2800 0.4850 0.4132 ( 2728 PWs) bands (ev): -24.9270 -24.9270 -8.6718 -8.6694 -8.4321 -8.4288 -8.3668 -8.3660 -4.4754 -4.4662 -1.5817 -1.5717 -1.5297 -1.3271 -1.2564 -1.2243 -1.1992 -1.1813 -0.9822 -0.8150 0.8924 0.9483 2.8831 2.9569 4.5453 4.5473 6.8268 6.8383 10.3303 10.3340 10.3803 10.4679 11.6203 11.6294 k = 0.2733 0.4734 0.4132 ( 2724 PWs) bands (ev): -24.9272 -24.9272 -8.6712 -8.6690 -8.4307 -8.4276 -8.3669 -8.3662 -4.4859 -4.4771 -1.5819 -1.5734 -1.5286 -1.3329 -1.2582 -1.2243 -1.1989 -1.1820 -0.9875 -0.8286 0.9282 0.9830 2.9315 3.0036 4.5068 4.5090 6.8505 6.8615 10.2802 10.3669 10.3935 10.3990 11.5934 11.5957 k = 0.2667 0.4619 0.4132 ( 2720 PWs) bands (ev): -24.9273 -24.9273 -8.6706 -8.6684 -8.4293 -8.4263 -8.3671 -8.3665 -4.4977 -4.4893 -1.5822 -1.5754 -1.5275 -1.3393 -1.2602 -1.2244 -1.1985 -1.1829 -0.9929 -0.8431 0.9696 1.0232 2.9840 3.0544 4.4637 4.4662 6.8790 6.8895 10.1838 10.2676 10.4611 10.4661 11.5516 11.5559 k = 0.2600 0.4503 0.4132 ( 2730 PWs) bands (ev): -24.9276 -24.9276 -8.6699 -8.6678 -8.4278 -8.4249 -8.3674 -8.3668 -4.5108 -4.5027 -1.5826 -1.5776 -1.5263 -1.3464 -1.2624 -1.2246 -1.1982 -1.1840 -0.9985 -0.8584 1.0166 1.0689 3.0401 3.1090 4.4163 4.4191 6.9124 6.9224 10.0884 10.1698 10.5329 10.5375 11.4987 11.5092 k = 0.2533 0.4388 0.4132 ( 2730 PWs) bands (ev): -24.9278 -24.9278 -8.6690 -8.6670 -8.4262 -8.4234 -8.3677 -8.3671 -4.5250 -4.5174 -1.5831 -1.5800 -1.5251 -1.3540 -1.2647 -1.2251 -1.1979 -1.1851 -1.0041 -0.8742 1.0692 1.1202 3.0997 3.1670 4.3650 4.3682 6.9506 6.9601 9.9944 10.0736 10.6083 10.6125 11.4388 11.4549 k = 0.2467 0.4272 0.4132 ( 2730 PWs) bands (ev): -24.9280 -24.9280 -8.6681 -8.6662 -8.4244 -8.4219 -8.3679 -8.3674 -4.5404 -4.5333 -1.5837 -1.5827 -1.5238 -1.3621 -1.2671 -1.2258 -1.1975 -1.1862 -1.0095 -0.8902 1.1273 1.1770 3.1624 3.2282 4.3103 4.3139 6.9936 7.0026 9.9019 9.9790 10.6864 10.6904 11.3734 11.3943 k = 0.2400 0.4157 0.4132 ( 2738 PWs) bands (ev): -24.9283 -24.9283 -8.6670 -8.6652 -8.4227 -8.4203 -8.3682 -8.3678 -4.5570 -4.5503 -1.5855 -1.5844 -1.5224 -1.3706 -1.2697 -1.2268 -1.1971 -1.1874 -1.0148 -0.9062 1.1909 1.2392 3.2280 3.2924 4.2526 4.2566 7.0413 7.0498 9.8110 9.8861 10.7668 10.7704 11.3039 11.3289 k = 0.2333 0.4041 0.4132 ( 2730 PWs) bands (ev): -24.9286 -24.9286 -8.6658 -8.6641 -8.4209 -8.4186 -8.3684 -8.3681 -4.5745 -4.5683 -1.5885 -1.5853 -1.5210 -1.3793 -1.2724 -1.2282 -1.1967 -1.1885 -1.0198 -0.9219 1.2599 1.3067 3.2961 3.3594 4.1922 4.1968 7.0935 7.1016 9.7217 9.7948 10.8486 10.8519 11.2317 11.2600 k = 0.2267 0.3926 0.4132 ( 2730 PWs) bands (ev): -24.9289 -24.9289 -8.6645 -8.6629 -8.4190 -8.4170 -8.3687 -8.3684 -4.5930 -4.5872 -1.5916 -1.5864 -1.5196 -1.3883 -1.2753 -1.2300 -1.1962 -1.1895 -1.0246 -0.9373 1.3341 1.3794 3.3666 3.4289 4.1297 4.1351 7.1500 7.1576 9.6341 9.7053 10.9311 10.9340 11.1577 11.1888 k = 0.2200 0.3811 0.4132 ( 2732 PWs) bands (ev): -24.9292 -24.9292 -8.6631 -8.6616 -8.4172 -8.4153 -8.3688 -8.3686 -4.6123 -4.6070 -1.5949 -1.5877 -1.5181 -1.3972 -1.2783 -1.2322 -1.1957 -1.1905 -1.0291 -0.9520 1.4133 1.4572 3.4390 3.5007 4.0655 4.0719 7.2105 7.2177 9.5480 9.6174 11.0132 11.0156 11.0828 11.1164 k = 0.2133 0.3695 0.4132 ( 2740 PWs) bands (ev): -24.9295 -24.9295 -8.6616 -8.6602 -8.4153 -8.4137 -8.3689 -8.3688 -4.6324 -4.6275 -1.5983 -1.5893 -1.5166 -1.4061 -1.2814 -1.2349 -1.1952 -1.1913 -1.0333 -0.9660 1.4976 1.5399 3.5128 3.5745 4.0000 4.0081 7.2750 7.2818 9.4635 9.5311 11.0077 11.0415 11.0941 11.0977 k = 0.2067 0.3580 0.4132 ( 2736 PWs) bands (ev): -24.9299 -24.9299 -8.6601 -8.6588 -8.4135 -8.4121 -8.3689 -8.3689 -4.6531 -4.6486 -1.6017 -1.5910 -1.5151 -1.4147 -1.2846 -1.2382 -1.1946 -1.1920 -1.0371 -0.9791 1.5866 1.6275 3.5869 3.6500 3.9338 3.9449 7.3431 7.3496 9.3806 9.4463 10.9331 10.9688 11.1723 11.1748 k = 0.2000 0.3464 0.4132 ( 2740 PWs) bands (ev): -24.9303 -24.9303 -8.6585 -8.6573 -8.4118 -8.4106 -8.3688 -8.3687 -4.6744 -4.6703 -1.6051 -1.5931 -1.5135 -1.4229 -1.2880 -1.2420 -1.1940 -1.1925 -1.0408 -0.9913 1.6804 1.7196 3.6583 3.7263 3.8679 3.8854 7.4148 7.4209 9.2991 9.3630 10.8594 10.8962 11.2457 11.2477 k = 0.1933 0.3349 0.4132 ( 2732 PWs) bands (ev): -24.9306 -24.9306 -8.6568 -8.6557 -8.4101 -8.4091 -8.3686 -8.3684 -4.6961 -4.6924 -1.6086 -1.5954 -1.5118 -1.4306 -1.2914 -1.2462 -1.1933 -1.1928 -1.0441 -1.0025 1.7786 1.8164 3.7117 3.7829 3.8231 3.8452 7.4897 7.4955 9.2191 9.2811 10.7870 10.8244 11.3109 11.3123 k = 0.1867 0.3233 0.4132 ( 2728 PWs) bands (ev): -24.9310 -24.9310 -8.6552 -8.6542 -8.4085 -8.4077 -8.3682 -8.3679 -4.7181 -4.7148 -1.6121 -1.5981 -1.5102 -1.4378 -1.2949 -1.2510 -1.1930 -1.1925 -1.0472 -1.0126 1.8812 1.9175 3.7015 3.7278 3.8697 3.8911 7.5677 7.5732 9.1403 9.2004 10.7162 10.7540 11.3567 11.3573 k = 0.1800 0.3118 0.4132 ( 2732 PWs) bands (ev): -24.9314 -24.9314 -8.6536 -8.6527 -8.4071 -8.4065 -8.3676 -8.3672 -4.7404 -4.7374 -1.6157 -1.6011 -1.5085 -1.4443 -1.2986 -1.2564 -1.1930 -1.1918 -1.0501 -1.0217 1.9880 2.0228 3.6487 3.6617 3.9383 3.9716 7.6485 7.6538 9.0627 9.1209 10.6474 10.6854 11.3529 11.3535 k = 0.1733 0.3002 0.4132 ( 2724 PWs) bands (ev): -24.9318 -24.9318 -8.6520 -8.6512 -8.4058 -8.4054 -8.3667 -8.3662 -4.7627 -4.7601 -1.6192 -1.6043 -1.5067 -1.4502 -1.3023 -1.2620 -1.1928 -1.1909 -1.0528 -1.0298 2.0989 2.1323 3.5871 3.5955 4.0171 4.0537 7.7321 7.7372 8.9861 9.0423 10.5808 10.6186 11.3093 11.3105 k = 0.1667 0.2887 0.4132 ( 2732 PWs) bands (ev): -24.9322 -24.9322 -8.6505 -8.6497 -8.4047 -8.4044 -8.3656 -8.3651 -4.7851 -4.7828 -1.6227 -1.6078 -1.5049 -1.4554 -1.3061 -1.2681 -1.1925 -1.1901 -1.0553 -1.0370 2.2138 2.2458 3.5237 3.5300 4.0990 4.1366 7.8182 7.8231 8.9104 8.9645 10.5165 10.5541 11.2564 11.2580 k = 0.1600 0.2771 0.4132 ( 2726 PWs) bands (ev): -24.9326 -24.9326 -8.6490 -8.6483 -8.4037 -8.4035 -8.3643 -8.3637 -4.8074 -4.8053 -1.6261 -1.6115 -1.5031 -1.4598 -1.3099 -1.2744 -1.1920 -1.1892 -1.0577 -1.0433 2.3324 2.3631 3.4604 3.4654 4.1824 4.2199 7.9066 7.9113 8.8354 8.8872 10.4547 10.4919 11.2022 11.2041 k = 0.1533 0.2656 0.4132 ( 2726 PWs) bands (ev): -24.9331 -24.9331 -8.6476 -8.6470 -8.4028 -8.4028 -8.3627 -8.3621 -4.8295 -4.8277 -1.6295 -1.6155 -1.5012 -1.4636 -1.3138 -1.2810 -1.1913 -1.1882 -1.0598 -1.0488 2.4546 2.4841 3.3977 3.4021 4.2664 4.3035 7.9969 8.0016 8.7608 8.8103 10.3956 10.4323 11.1488 11.1508 k = 0.1467 0.2540 0.4132 ( 2722 PWs) bands (ev): -24.9335 -24.9335 -8.6463 -8.6458 -8.4021 -8.4021 -8.3608 -8.3602 -4.8513 -4.8497 -1.6328 -1.6195 -1.4992 -1.4667 -1.3177 -1.2876 -1.1905 -1.1872 -1.0619 -1.0536 2.5802 2.6086 3.3363 3.3404 4.3505 4.3869 8.0890 8.0938 8.6866 8.7334 10.3393 10.3753 11.0969 11.0990 k = 0.1400 0.2425 0.4132 ( 2722 PWs) bands (ev): -24.9339 -24.9339 -8.6452 -8.6447 -8.4016 -8.4015 -8.3588 -8.3582 -4.8727 -4.8714 -1.6360 -1.6237 -1.4972 -1.4692 -1.3216 -1.2943 -1.1895 -1.1862 -1.0638 -1.0577 2.7089 2.7365 3.2764 3.2806 4.4345 4.4700 8.1823 8.1876 8.6125 8.6563 10.2859 10.3211 11.0469 11.0491 k = 0.1333 0.2309 0.4132 ( 2728 PWs) bands (ev): -24.9343 -24.9343 -8.6442 -8.6438 -8.4011 -8.4010 -8.3566 -8.3560 -4.8937 -4.8925 -1.6392 -1.6279 -1.4952 -1.4712 -1.3256 -1.3011 -1.1885 -1.1851 -1.0656 -1.0613 2.8400 2.8674 3.2185 3.2234 4.5178 4.5524 8.2756 8.2823 8.5392 8.5789 10.2356 10.2698 10.9992 11.0015 k = 0.1267 0.2194 0.4132 ( 2736 PWs) bands (ev): -24.9348 -24.9348 -8.6433 -8.6429 -8.4007 -8.4005 -8.3543 -8.3537 -4.9141 -4.9131 -1.6423 -1.6321 -1.4931 -1.4726 -1.3295 -1.3077 -1.1874 -1.1841 -1.0673 -1.0644 2.9712 3.0001 3.1638 3.1711 4.6003 4.6338 8.3618 8.3759 8.4732 8.5028 10.1882 10.2215 10.9541 10.9565 k = 0.1200 0.2078 0.4132 ( 2728 PWs) bands (ev): -24.9352 -24.9352 -8.6425 -8.6422 -8.4002 -8.4001 -8.3518 -8.3513 -4.9339 -4.9330 -1.6453 -1.6362 -1.4910 -1.4736 -1.3334 -1.3142 -1.1862 -1.1830 -1.0689 -1.0670 3.0702 3.0933 3.1535 3.1561 4.6816 4.7140 8.3635 8.4070 8.4882 8.4910 10.1441 10.1762 10.9119 10.9144 k = 0.1133 0.1963 0.4132 ( 2728 PWs) bands (ev): -24.9356 -24.9356 -8.6419 -8.6417 -8.3999 -8.3997 -8.3492 -8.3488 -4.9530 -4.9523 -1.6482 -1.6402 -1.4888 -1.4741 -1.3373 -1.3206 -1.1849 -1.1819 -1.0703 -1.0693 3.0458 3.0504 3.2695 3.2843 4.7614 4.7925 8.2917 8.3304 8.5797 8.5807 10.1031 10.1340 10.8730 10.8757 k = 0.1067 0.1848 0.4132 ( 2732 PWs) bands (ev): -24.9360 -24.9360 -8.6414 -8.6412 -8.3995 -8.3993 -8.3466 -8.3462 -4.9713 -4.9707 -1.6510 -1.6441 -1.4867 -1.4743 -1.3412 -1.3268 -1.1836 -1.1808 -1.0717 -1.0713 2.9993 3.0013 3.4099 3.4263 4.8393 4.8691 8.2109 8.2457 8.6766 8.6767 10.0653 10.0950 10.8377 10.8406 k = 0.1000 0.1732 0.4132 ( 2732 PWs) bands (ev): -24.9364 -24.9364 -8.6411 -8.6409 -8.3992 -8.3990 -8.3439 -8.3436 -4.9888 -4.9883 -1.6537 -1.6478 -1.4845 -1.4741 -1.3450 -1.3327 -1.1822 -1.1797 -1.0730 -1.0729 2.9529 2.9540 3.5551 3.5715 4.9150 4.9435 8.1257 8.1571 8.7735 8.7738 10.0307 10.0590 10.8063 10.8097 k = 0.0933 0.1617 0.4132 ( 2736 PWs) bands (ev): -24.9367 -24.9367 -8.6409 -8.6407 -8.3988 -8.3987 -8.3412 -8.3410 -5.0054 -5.0050 -1.6562 -1.6514 -1.4822 -1.4737 -1.3488 -1.3385 -1.1808 -1.1786 -1.0744 -1.0741 2.9083 2.9090 3.7033 3.7191 4.9881 5.0152 8.0364 8.0645 8.8696 8.8700 9.9993 10.0262 10.7786 10.7833 k = 0.0867 0.1501 0.4132 ( 2736 PWs) bands (ev): -24.9371 -24.9371 -8.6407 -8.6406 -8.3985 -8.3984 -8.3386 -8.3384 -5.0211 -5.0208 -1.6587 -1.6547 -1.4800 -1.4730 -1.3524 -1.3439 -1.1795 -1.1775 -1.0756 -1.0752 2.8660 2.8665 3.8536 3.8687 5.0584 5.0840 7.9426 7.9675 8.9641 8.9645 9.9710 9.9964 10.7451 10.7539 k = 0.0800 0.1386 0.4132 ( 2736 PWs) bands (ev): -24.9374 -24.9374 -8.6407 -8.6406 -8.3981 -8.3980 -8.3360 -8.3359 -5.0358 -5.0356 -1.6610 -1.6578 -1.4778 -1.4722 -1.3560 -1.3491 -1.1781 -1.1765 -1.0767 -1.0762 2.8264 2.8267 4.0058 4.0201 5.1254 5.1495 7.8440 7.8658 9.0560 9.0564 9.9458 9.9696 10.6235 10.6341 k = 0.0733 0.1270 0.4132 ( 2736 PWs) bands (ev): -24.9377 -24.9377 -8.6408 -8.6407 -8.3978 -8.3977 -8.3335 -8.3334 -5.0495 -5.0493 -1.6632 -1.6607 -1.4756 -1.4712 -1.3594 -1.3539 -1.1768 -1.1755 -1.0776 -1.0771 2.7896 2.7898 4.1593 4.1727 5.1889 5.2114 7.7404 7.7591 9.1443 9.1447 9.9236 9.9458 10.4961 10.5090 k = 0.0667 0.1155 0.4132 ( 2734 PWs) bands (ev): -24.9380 -24.9380 -8.6409 -8.6408 -8.3975 -8.3974 -8.3312 -8.3311 -5.0621 -5.0620 -1.6652 -1.6633 -1.4734 -1.4700 -1.3628 -1.3585 -1.1756 -1.1745 -1.0783 -1.0779 2.7556 2.7557 4.3136 4.3262 5.2485 5.2693 7.6316 7.6474 9.2279 9.2282 9.9041 9.9247 10.3791 10.3926 k = 0.0600 0.1039 0.4132 ( 2734 PWs) bands (ev): -24.9383 -24.9383 -8.6411 -8.6410 -8.3972 -8.3972 -8.3289 -8.3289 -5.0736 -5.0735 -1.6671 -1.6657 -1.4714 -1.4688 -1.3659 -1.3627 -1.1744 -1.1736 -1.0789 -1.0786 2.7246 2.7247 4.4682 4.4799 5.3040 5.3230 7.5178 7.5308 9.3056 9.3059 9.8874 9.9062 10.2732 10.2868 k = 0.0533 0.0924 0.4132 ( 2742 PWs) bands (ev): -24.9385 -24.9385 -8.6413 -8.6413 -8.3970 -8.3969 -8.3269 -8.3268 -5.0840 -5.0839 -1.6688 -1.6678 -1.4694 -1.4675 -1.3689 -1.3666 -1.1734 -1.1728 -1.0795 -1.0792 2.6967 2.6967 4.6223 4.6331 5.3552 5.3722 7.3994 7.4099 9.3763 9.3766 9.8731 9.8902 10.1790 10.1923 k = 0.0467 0.0808 0.4132 ( 2746 PWs) bands (ev): -24.9388 -24.9388 -8.6415 -8.6415 -8.3967 -8.3967 -8.3250 -8.3250 -5.0932 -5.0932 -1.6703 -1.6697 -1.4675 -1.4662 -1.3717 -1.3701 -1.1724 -1.1720 -1.0800 -1.0798 2.6718 2.6719 4.7748 4.7846 5.4018 5.4169 7.2774 7.2855 9.4391 9.4394 9.8610 9.8762 10.0967 10.1093 k = 0.0400 0.0693 0.4132 ( 2742 PWs) bands (ev): -24.9389 -24.9389 -8.6417 -8.6417 -8.3965 -8.3965 -8.3233 -8.3233 -5.1013 -5.1012 -1.6717 -1.6713 -1.4658 -1.4650 -1.3742 -1.3732 -1.1716 -1.1713 -1.0804 -1.0802 2.6502 2.6502 4.9239 4.9327 5.4441 5.4570 7.1530 7.1591 9.4931 9.4934 9.8508 9.8640 10.0266 10.0381 k = 0.0333 0.0577 0.4132 ( 2738 PWs) bands (ev): -24.9391 -24.9391 -8.6419 -8.6419 -8.3963 -8.3963 -8.3218 -8.3218 -5.1081 -5.1081 -1.6728 -1.6726 -1.4643 -1.4638 -1.3765 -1.3758 -1.1708 -1.1707 -1.0807 -1.0806 2.6318 2.6318 5.0673 5.0749 5.4823 5.4929 7.0285 7.0327 9.5381 9.5384 9.8421 9.8531 9.9690 9.9788 k = 0.0267 0.0462 0.4132 ( 2734 PWs) bands (ev): -24.9392 -24.9392 -8.6421 -8.6421 -8.3961 -8.3961 -8.3206 -8.3206 -5.1137 -5.1137 -1.6738 -1.6736 -1.4630 -1.4627 -1.3784 -1.3780 -1.1702 -1.1701 -1.0809 -1.0809 2.6167 2.6167 5.2005 5.2066 5.5175 5.5256 6.9071 6.9097 9.5740 9.5742 9.8344 9.8425 9.9242 9.9317 k = 0.0200 0.0346 0.4132 ( 2730 PWs) bands (ev): -24.9393 -24.9393 -8.6423 -8.6423 -8.3960 -8.3960 -8.3197 -8.3197 -5.1181 -5.1181 -1.6745 -1.6745 -1.4619 -1.4618 -1.3799 -1.3798 -1.1697 -1.1697 -1.0811 -1.0811 2.6049 2.6049 5.3162 5.3203 5.5523 5.5575 6.7941 6.7954 9.6012 9.6013 9.8267 9.8316 9.8927 9.8972 k = 0.0133 0.0231 0.4132 ( 2736 PWs) bands (ev): -24.9394 -24.9394 -8.6424 -8.6424 -8.3959 -8.3959 -8.3190 -8.3190 -5.1212 -5.1212 -1.6751 -1.6751 -1.4612 -1.4611 -1.3811 -1.3810 -1.1694 -1.1694 -1.0813 -1.0813 2.5965 2.5965 5.4027 5.4045 5.5897 5.5920 6.6976 6.6981 9.6200 9.6201 9.8188 9.8206 9.8737 9.8754 k = 0.0067 0.0115 0.4132 ( 2740 PWs) bands (ev): -24.9395 -24.9395 -8.6425 -8.6425 -8.3958 -8.3958 -8.3186 -8.3186 -5.1231 -5.1231 -1.6755 -1.6755 -1.4607 -1.4607 -1.3818 -1.3818 -1.1693 -1.1693 -1.0814 -1.0814 2.5914 2.5914 5.4513 5.4515 5.6254 5.6257 6.6299 6.6300 9.6310 9.6311 9.8120 9.8122 9.8642 9.8645 k = 0.0000 0.0000 0.4132 ( 2744 PWs) bands (ev): -24.9395 -24.9395 -8.6425 -8.6425 -8.3958 -8.3958 -8.3184 -8.3184 -5.1237 -5.1237 -1.6756 -1.6756 -1.4606 -1.4606 -1.3821 -1.3821 -1.1692 -1.1692 -1.0814 -1.0814 2.5897 2.5897 5.4658 5.4658 5.6409 5.6409 6.6051 6.6051 9.6347 9.6347 9.8092 9.8092 9.8614 9.8614 k = 0.5000 0.2887 0.4132 ( 2724 PWs) bands (ev): -24.9279 -24.9279 -8.6763 -8.6763 -8.4268 -8.4268 -8.3541 -8.3541 -4.5295 -4.5295 -1.5669 -1.5669 -1.4538 -1.4538 -1.2369 -1.2369 -1.1763 -1.1763 -0.9484 -0.9484 0.8044 0.8044 3.9880 3.9880 4.4597 4.4597 6.5602 6.5602 7.8668 7.8668 11.5095 11.5095 12.2704 12.2704 k = 0.5000 0.2887 0.3999 ( 2720 PWs) bands (ev): -24.9279 -24.9279 -8.6764 -8.6761 -8.4270 -8.4266 -8.3541 -8.3541 -4.5295 -4.5294 -1.5670 -1.5668 -1.4539 -1.4537 -1.2372 -1.2367 -1.1763 -1.1763 -0.9486 -0.9483 0.8037 0.8040 3.9883 3.9883 4.4604 4.4609 6.5628 6.5630 7.8646 7.8652 11.5119 11.5121 12.2504 12.2576 k = 0.5000 0.2887 0.3866 ( 2720 PWs) bands (ev): -24.9279 -24.9279 -8.6767 -8.6760 -8.4272 -8.4265 -8.3539 -8.3539 -4.5294 -4.5291 -1.5671 -1.5667 -1.4540 -1.4537 -1.2374 -1.2364 -1.1763 -1.1763 -0.9489 -0.9482 0.8019 0.8025 3.9891 3.9891 4.4630 4.4639 6.5707 6.5711 7.8585 7.8597 11.5187 11.5193 12.2039 12.2155 k = 0.5000 0.2887 0.3732 ( 2728 PWs) bands (ev): -24.9279 -24.9279 -8.6769 -8.6760 -8.4274 -8.4264 -8.3538 -8.3537 -4.5292 -4.5287 -1.5672 -1.5666 -1.4542 -1.4537 -1.2376 -1.2361 -1.1764 -1.1764 -0.9492 -0.9482 0.7990 0.7999 3.9905 3.9905 4.4674 4.4687 6.5839 6.5845 7.8487 7.8505 11.5282 11.5296 12.1414 12.1541 k = 0.5000 0.2887 0.3599 ( 2724 PWs) bands (ev): -24.9279 -24.9279 -8.6772 -8.6760 -8.4276 -8.4262 -8.3535 -8.3534 -4.5288 -4.5281 -1.5673 -1.5664 -1.4543 -1.4536 -1.2378 -1.2358 -1.1764 -1.1764 -0.9497 -0.9483 0.7950 0.7963 3.9924 3.9924 4.4737 4.4754 6.6023 6.6032 7.8354 7.8378 11.5370 11.5401 12.0728 12.0843 k = 0.5000 0.2887 0.3466 ( 2728 PWs) bands (ev): -24.9279 -24.9279 -8.6775 -8.6761 -8.4278 -8.4262 -8.3531 -8.3530 -4.5283 -4.5275 -1.5674 -1.5663 -1.4545 -1.4536 -1.2380 -1.2355 -1.1765 -1.1765 -0.9502 -0.9485 0.7900 0.7916 3.9948 3.9949 4.4817 4.4837 6.6260 6.6270 7.8190 7.8218 11.5390 11.5449 12.0081 12.0164 k = 0.5000 0.2887 0.3333 ( 2728 PWs) bands (ev): -24.9279 -24.9279 -8.6779 -8.6762 -8.4281 -8.4261 -8.3527 -8.3526 -4.5277 -4.5267 -1.5675 -1.5662 -1.4546 -1.4536 -1.2381 -1.2352 -1.1765 -1.1765 -0.9507 -0.9487 0.7841 0.7860 3.9977 3.9978 4.4913 4.4938 6.6548 6.6560 7.7997 7.8030 11.5246 11.5348 11.9589 11.9623 k = 0.5000 0.2887 0.3199 ( 2720 PWs) bands (ev): -24.9279 -24.9279 -8.6783 -8.6763 -8.4283 -8.4261 -8.3521 -8.3520 -4.5270 -4.5259 -1.5675 -1.5661 -1.4548 -1.4536 -1.2382 -1.2349 -1.1766 -1.1765 -0.9513 -0.9490 0.7774 0.7795 4.0011 4.0012 4.5026 4.5054 6.6886 6.6900 7.7779 7.7818 11.4849 11.4993 11.9332 11.9348 k = 0.5000 0.2887 0.3066 ( 2720 PWs) bands (ev): -24.9280 -24.9280 -8.6787 -8.6765 -8.4285 -8.4261 -8.3516 -8.3514 -4.5262 -4.5249 -1.5675 -1.5659 -1.4550 -1.4537 -1.2383 -1.2346 -1.1766 -1.1766 -0.9520 -0.9494 0.7699 0.7722 4.0049 4.0050 4.5154 4.5184 6.7272 6.7288 7.7542 7.7585 11.4189 11.4360 11.9312 11.9362 k = 0.5000 0.2887 0.2933 ( 2726 PWs) bands (ev): -24.9280 -24.9280 -8.6791 -8.6767 -8.4287 -8.4261 -8.3509 -8.3507 -4.5253 -4.5239 -1.5676 -1.5658 -1.4552 -1.4537 -1.2383 -1.2343 -1.1767 -1.1767 -0.9527 -0.9499 0.7617 0.7642 4.0091 4.0092 4.5295 4.5328 6.7706 6.7723 7.7289 7.7336 11.3335 11.3517 11.9476 11.9544 k = 0.5000 0.2887 0.2799 ( 2726 PWs) bands (ev): -24.9280 -24.9280 -8.6796 -8.6770 -8.4289 -8.4262 -8.3502 -8.3500 -4.5243 -4.5228 -1.5676 -1.5657 -1.4554 -1.4538 -1.2384 -1.2340 -1.1768 -1.1768 -0.9535 -0.9504 0.7529 0.7556 4.0137 4.0137 4.5449 4.5485 6.8184 6.8203 7.7027 7.7078 11.2365 11.2547 11.9704 11.9780 k = 0.5000 0.2887 0.2666 ( 2724 PWs) bands (ev): -24.9280 -24.9280 -8.6800 -8.6773 -8.4292 -8.4263 -8.3494 -8.3492 -4.5232 -4.5217 -1.5677 -1.5656 -1.4555 -1.4539 -1.2383 -1.2337 -1.1769 -1.1768 -0.9543 -0.9510 0.7437 0.7465 4.0185 4.0186 4.5615 4.5652 6.8705 6.8724 7.6760 7.6815 11.1329 11.1507 11.9873 11.9961 k = 0.5000 0.2887 0.2533 ( 2724 PWs) bands (ev): -24.9280 -24.9280 -8.6805 -8.6777 -8.4294 -8.4264 -8.3486 -8.3483 -4.5221 -4.5205 -1.5677 -1.5655 -1.4557 -1.4540 -1.2383 -1.2334 -1.1770 -1.1769 -0.9551 -0.9517 0.7341 0.7370 4.0236 4.0236 4.5790 4.5829 6.9263 6.9283 7.6495 7.6554 11.0261 11.0433 11.9863 11.9980 k = 0.5000 0.2887 0.2399 ( 2718 PWs) bands (ev): -24.9281 -24.9281 -8.6810 -8.6781 -8.4295 -8.4265 -8.3478 -8.3474 -4.5209 -4.5192 -1.5676 -1.5654 -1.4559 -1.4541 -1.2382 -1.2332 -1.1770 -1.1770 -0.9559 -0.9523 0.7242 0.7272 4.0289 4.0289 4.5973 4.6013 6.9853 6.9872 7.6239 7.6303 10.9179 10.9345 11.9583 11.9746 k = 0.5000 0.2887 0.2266 ( 2716 PWs) bands (ev): -24.9281 -24.9281 -8.6815 -8.6786 -8.4297 -8.4267 -8.3469 -8.3465 -4.5197 -4.5180 -1.5676 -1.5653 -1.4561 -1.4542 -1.2381 -1.2329 -1.1771 -1.1771 -0.9568 -0.9531 0.7142 0.7173 4.0344 4.0344 4.6163 4.6204 7.0467 7.0485 7.6003 7.6073 10.8096 10.8255 11.9011 11.9231 k = 0.5000 0.2887 0.2133 ( 2716 PWs) bands (ev): -24.9281 -24.9281 -8.6820 -8.6790 -8.4299 -8.4269 -8.3459 -8.3455 -4.5185 -4.5167 -1.5676 -1.5652 -1.4563 -1.4544 -1.2379 -1.2327 -1.1772 -1.1771 -0.9577 -0.9539 0.7042 0.7072 4.0399 4.0400 4.6358 4.6399 7.1091 7.1104 7.5802 7.5879 10.7022 10.7174 11.8201 11.8468 k = 0.5000 0.2887 0.2000 ( 2726 PWs) bands (ev): -24.9282 -24.9282 -8.6825 -8.6795 -8.4301 -8.4271 -8.3450 -8.3445 -4.5172 -4.5155 -1.5676 -1.5652 -1.4565 -1.4545 -1.2378 -1.2325 -1.1773 -1.1772 -0.9585 -0.9547 0.6942 0.6972 4.0455 4.0456 4.6556 4.6597 7.1700 7.1707 7.5660 7.5746 10.5962 10.6107 11.7223 11.7523 k = 0.5000 0.2887 0.1866 ( 2726 PWs) bands (ev): -24.9282 -24.9282 -8.6830 -8.6801 -8.4302 -8.4273 -8.3440 -8.3435 -4.5160 -4.5143 -1.5675 -1.5651 -1.4567 -1.4547 -1.2376 -1.2324 -1.1773 -1.1773 -0.9594 -0.9555 0.6843 0.6873 4.0511 4.0511 4.6755 4.6795 7.2250 7.2252 7.5620 7.5717 10.4922 10.5061 11.6139 11.6458 k = 0.5000 0.2887 0.1733 ( 2726 PWs) bands (ev): -24.9282 -24.9282 -8.6834 -8.6806 -8.4304 -8.4275 -8.3431 -8.3426 -4.5148 -4.5131 -1.5674 -1.5651 -1.4568 -1.4549 -1.2374 -1.2322 -1.1774 -1.1774 -0.9602 -0.9564 0.6748 0.6777 4.0566 4.0566 4.6953 4.6992 7.2674 7.2684 7.5743 7.5851 10.3906 10.4037 11.4995 11.5321 k = 0.5000 0.2887 0.1600 ( 2730 PWs) bands (ev): -24.9282 -24.9282 -8.6839 -8.6811 -8.4305 -8.4278 -8.3421 -8.3416 -4.5136 -4.5120 -1.5673 -1.5651 -1.4569 -1.4551 -1.2371 -1.2321 -1.1775 -1.1775 -0.9610 -0.9573 0.6655 0.6684 4.0620 4.0620 4.7148 4.7186 7.2929 7.2942 7.6084 7.6196 10.2914 10.3037 11.3824 11.4150 k = 0.5000 0.2887 0.1466 ( 2724 PWs) bands (ev): -24.9283 -24.9283 -8.6843 -8.6817 -8.4306 -8.4280 -8.3412 -8.3407 -4.5124 -4.5109 -1.5672 -1.5650 -1.4571 -1.4552 -1.2368 -1.2320 -1.1775 -1.1775 -0.9617 -0.9581 0.6567 0.6594 4.0671 4.0672 4.7338 4.7374 7.3022 7.3032 7.6633 7.6743 10.1949 10.2064 11.2654 11.2972 k = 0.5000 0.2887 0.1333 ( 2712 PWs) bands (ev): -24.9283 -24.9283 -8.6846 -8.6822 -8.4306 -8.4283 -8.3403 -8.3398 -4.5113 -4.5098 -1.5671 -1.5650 -1.4571 -1.4554 -1.2365 -1.2319 -1.1775 -1.1775 -0.9624 -0.9590 0.6485 0.6510 4.0721 4.0721 4.7521 4.7555 7.3003 7.3009 7.7331 7.7436 10.1012 10.1117 11.1507 11.1812 k = 0.5000 0.2887 0.1200 ( 2720 PWs) bands (ev): -24.9283 -24.9283 -8.6850 -8.6827 -8.4307 -8.4285 -8.3395 -8.3390 -4.5103 -4.5089 -1.5670 -1.5651 -1.4572 -1.4556 -1.2362 -1.2319 -1.1776 -1.1776 -0.9630 -0.9598 0.6408 0.6431 4.0767 4.0768 4.7694 4.7726 7.2926 7.2927 7.8120 7.8220 10.0102 10.0197 11.0403 11.0691 k = 0.5000 0.2887 0.1066 ( 2716 PWs) bands (ev): -24.9283 -24.9283 -8.6853 -8.6832 -8.4308 -8.4288 -8.3386 -8.3382 -4.5093 -4.5081 -1.5669 -1.5651 -1.4573 -1.4558 -1.2358 -1.2319 -1.1776 -1.1776 -0.9636 -0.9606 0.6337 0.6359 4.0810 4.0811 4.7857 4.7886 7.2820 7.2821 7.8960 7.9055 9.9220 9.9303 10.9360 10.9626 k = 0.5000 0.2887 0.0933 ( 2704 PWs) bands (ev): -24.9283 -24.9283 -8.6855 -8.6837 -8.4308 -8.4290 -8.3379 -8.3374 -4.5084 -4.5073 -1.5667 -1.5651 -1.4573 -1.4559 -1.2355 -1.2319 -1.1776 -1.1776 -0.9641 -0.9614 0.6274 0.6293 4.0849 4.0850 4.8006 4.8032 7.2706 7.2708 7.9823 7.9913 9.8367 9.8438 10.8396 10.8638 k = 0.5000 0.2887 0.0800 ( 2694 PWs) bands (ev): -24.9283 -24.9283 -8.6857 -8.6841 -8.4308 -8.4292 -8.3372 -8.3368 -4.5076 -4.5066 -1.5665 -1.5651 -1.4573 -1.4561 -1.2351 -1.2320 -1.1776 -1.1776 -0.9645 -0.9621 0.6218 0.6235 4.0884 4.0885 4.8140 4.8163 7.2596 7.2599 8.0685 8.0769 9.7548 9.7606 10.7528 10.7741 k = 0.5000 0.2887 0.0667 ( 2690 PWs) bands (ev): -24.9283 -24.9283 -8.6859 -8.6845 -8.4307 -8.4294 -8.3366 -8.3363 -4.5069 -4.5061 -1.5664 -1.5652 -1.4572 -1.4562 -1.2348 -1.2321 -1.1776 -1.1776 -0.9648 -0.9627 0.6170 0.6185 4.0914 4.0915 4.8257 4.8277 7.2496 7.2500 8.1522 8.1599 9.6772 9.6816 10.6771 10.6953 k = 0.5000 0.2887 0.0533 ( 2694 PWs) bands (ev): -24.9283 -24.9283 -8.6860 -8.6849 -8.4307 -8.4296 -8.3361 -8.3358 -4.5063 -4.5056 -1.5663 -1.5653 -1.4572 -1.4564 -1.2344 -1.2323 -1.1776 -1.1776 -0.9650 -0.9633 0.6131 0.6143 4.0939 4.0940 4.8356 4.8372 7.2410 7.2414 8.2306 8.2373 9.6056 9.6086 10.6138 10.6286 k = 0.5000 0.2887 0.0400 ( 2694 PWs) bands (ev): -24.9283 -24.9283 -8.6861 -8.6852 -8.4306 -8.4298 -8.3357 -8.3355 -4.5058 -4.5053 -1.5661 -1.5654 -1.4572 -1.4565 -1.2341 -1.2324 -1.1776 -1.1776 -0.9651 -0.9639 0.6101 0.6109 4.0959 4.0960 4.8435 4.8447 7.2342 7.2345 8.2999 8.3054 9.5426 9.5445 10.5640 10.5752 k = 0.5000 0.2887 0.0267 ( 2698 PWs) bands (ev): -24.9283 -24.9283 -8.6861 -8.6855 -8.4306 -8.4300 -8.3354 -8.3353 -4.5054 -4.5051 -1.5660 -1.5655 -1.4571 -1.4567 -1.2338 -1.2327 -1.1777 -1.1777 -0.9652 -0.9643 0.6079 0.6085 4.0974 4.0974 4.8492 4.8500 7.2292 7.2294 8.3556 8.3596 9.4923 9.4933 10.5285 10.5360 k = 0.5000 0.2887 0.0133 ( 2698 PWs) bands (ev): -24.9283 -24.9283 -8.6860 -8.6857 -8.4305 -8.4302 -8.3352 -8.3351 -4.5052 -4.5050 -1.5659 -1.5656 -1.4570 -1.4568 -1.2335 -1.2329 -1.1777 -1.1777 -0.9651 -0.9647 0.6067 0.6070 4.0982 4.0982 4.8528 4.8532 7.2262 7.2263 8.3925 8.3946 9.4592 9.4596 10.5077 10.5115 k = 0.5000 0.2887-0.0000 ( 2702 PWs) bands (ev): -24.9284 -24.9284 -8.6859 -8.6859 -8.4303 -8.4303 -8.3351 -8.3351 -4.5050 -4.5050 -1.5657 -1.5657 -1.4569 -1.4569 -1.2332 -1.2332 -1.1777 -1.1777 -0.9649 -0.9649 0.6064 0.6064 4.0985 4.0985 4.8541 4.8541 7.2253 7.2253 8.4062 8.4062 9.4477 9.4477 10.5020 10.5020 k = 0.3333 0.5774-0.0000 ( 2712 PWs) bands (ev): -24.9269 -24.9269 -8.6835 -8.6725 -8.4578 -8.4426 -8.3479 -8.3452 -4.4045 -4.3896 -1.5880 -1.5633 -1.5377 -1.2927 -1.2564 -1.2189 -1.2079 -1.1828 -0.9520 -0.7542 0.8002 0.8566 2.3497 2.4239 5.1225 5.1319 7.6665 7.6666 9.4733 9.5531 9.8029 9.8150 11.8934 11.9556 k = 0.3333 0.5774 0.0133 ( 2712 PWs) bands (ev): -24.9269 -24.9269 -8.6835 -8.6725 -8.4578 -8.4426 -8.3479 -8.3452 -4.4046 -4.3897 -1.5880 -1.5633 -1.5377 -1.2927 -1.2564 -1.2189 -1.2079 -1.1828 -0.9520 -0.7543 0.8001 0.8566 2.3505 2.4247 5.1211 5.1305 7.6625 7.6625 9.4793 9.5593 9.8072 9.8193 11.8923 11.9546 k = 0.3333 0.5774 0.0267 ( 2712 PWs) bands (ev): -24.9269 -24.9269 -8.6834 -8.6725 -8.4576 -8.4425 -8.3481 -8.3454 -4.4048 -4.3900 -1.5879 -1.5633 -1.5377 -1.2928 -1.2564 -1.2190 -1.2079 -1.1828 -0.9521 -0.7543 0.8000 0.8565 2.3529 2.4271 5.1170 5.1264 7.6504 7.6505 9.4972 9.5776 9.8201 9.8322 11.8880 11.9507 k = 0.3333 0.5774 0.0400 ( 2712 PWs) bands (ev): -24.9269 -24.9269 -8.6833 -8.6725 -8.4573 -8.4424 -8.3483 -8.3457 -4.4052 -4.3905 -1.5878 -1.5633 -1.5376 -1.2930 -1.2563 -1.2191 -1.2078 -1.1827 -0.9522 -0.7544 0.7997 0.8562 2.3568 2.4311 5.1103 5.1195 7.6309 7.6310 9.5264 9.6075 9.8415 9.8535 11.8786 11.9414 k = 0.3333 0.5774 0.0533 ( 2715 PWs) bands (ev): -24.9269 -24.9269 -8.6831 -8.6724 -8.4570 -8.4422 -8.3487 -8.3460 -4.4058 -4.3911 -1.5877 -1.5634 -1.5376 -1.2932 -1.2562 -1.2192 -1.2076 -1.1826 -0.9524 -0.7545 0.7993 0.8559 2.3623 2.4367 5.1010 5.1100 7.6047 7.6050 9.5660 9.6481 9.8711 9.8831 11.8597 11.9212 k = 0.3333 0.5774 0.0667 ( 2715 PWs) bands (ev): -24.9269 -24.9269 -8.6828 -8.6724 -8.4565 -8.4420 -8.3491 -8.3465 -4.4066 -4.3920 -1.5876 -1.5635 -1.5375 -1.2935 -1.2560 -1.2194 -1.2075 -1.1826 -0.9526 -0.7546 0.7988 0.8556 2.3693 2.4439 5.0893 5.0981 7.5728 7.5733 9.6150 9.6983 9.9089 9.9208 11.8251 11.8818 k = 0.3333 0.5774 0.0800 ( 2709 PWs) bands (ev): -24.9269 -24.9269 -8.6825 -8.6723 -8.4560 -8.4417 -8.3496 -8.3471 -4.4074 -4.3929 -1.5874 -1.5636 -1.5373 -1.2939 -1.2559 -1.2196 -1.2072 -1.1824 -0.9528 -0.7548 0.7982 0.8551 2.3777 2.4525 5.0755 5.0839 7.5363 7.5370 9.6721 9.7571 9.9544 9.9662 11.7693 11.8176 k = 0.3333 0.5774 0.0933 ( 2703 PWs) bands (ev): -24.9268 -24.9268 -8.6822 -8.6722 -8.4553 -8.4415 -8.3502 -8.3477 -4.4085 -4.3941 -1.5872 -1.5636 -1.5372 -1.2943 -1.2556 -1.2198 -1.2070 -1.1823 -0.9530 -0.7550 0.7975 0.8546 2.3875 2.4624 5.0597 5.0678 7.4960 7.4972 9.7362 9.8232 10.0073 10.0191 11.6931 11.7320 k = 0.3333 0.5774 0.1066 ( 2721 PWs) bands (ev): -24.9269 -24.9269 -8.6818 -8.6721 -8.4546 -8.4412 -8.3509 -8.3484 -4.4096 -4.3954 -1.5870 -1.5638 -1.5371 -1.2948 -1.2554 -1.2201 -1.2068 -1.1822 -0.9534 -0.7552 0.7968 0.8540 2.3985 2.4737 5.0422 5.0499 7.4531 7.4547 9.8061 9.8956 10.0673 10.0791 11.6022 11.6332 k = 0.3333 0.5774 0.1200 ( 2727 PWs) bands (ev): -24.9268 -24.9268 -8.6814 -8.6721 -8.4538 -8.4408 -8.3517 -8.3493 -4.4109 -4.3968 -1.5868 -1.5639 -1.5369 -1.2953 -1.2552 -1.2204 -1.2065 -1.1821 -0.9537 -0.7555 0.7959 0.8534 2.4107 2.4862 5.0232 5.0305 7.4083 7.4104 9.8807 9.9730 10.1338 10.1456 11.5030 11.5280 k = 0.3333 0.5774 0.1333 ( 2727 PWs) bands (ev): -24.9268 -24.9268 -8.6810 -8.6720 -8.4530 -8.4404 -8.3525 -8.3501 -4.4123 -4.3984 -1.5865 -1.5641 -1.5368 -1.2959 -1.2549 -1.2206 -1.2062 -1.1820 -0.9540 -0.7557 0.7950 0.8527 2.4240 2.4997 5.0030 5.0099 7.3624 7.3651 9.9589 10.0545 10.2063 10.2182 11.3999 11.4203 k = 0.3333 0.5774 0.1466 ( 2727 PWs) bands (ev): -24.9268 -24.9268 -8.6805 -8.6718 -8.4521 -8.4400 -8.3533 -8.3510 -4.4137 -4.4000 -1.5862 -1.5642 -1.5366 -1.2964 -1.2546 -1.2209 -1.2059 -1.1818 -0.9544 -0.7560 0.7940 0.8519 2.4382 2.5143 4.9818 4.9883 7.3160 7.3194 10.0399 10.1391 10.2843 10.2963 11.2957 11.3124 k = 0.3333 0.5774 0.1600 ( 2724 PWs) bands (ev): -24.9268 -24.9268 -8.6800 -8.6717 -8.4511 -8.4396 -8.3542 -8.3520 -4.4153 -4.4017 -1.5859 -1.5644 -1.5364 -1.2970 -1.2543 -1.2213 -1.2055 -1.1816 -0.9548 -0.7563 0.7930 0.8512 2.4532 2.5296 4.9600 4.9661 7.2698 7.2739 10.1226 10.2259 10.3671 10.3792 11.1921 11.2058 k = 0.3333 0.5774 0.1733 ( 2721 PWs) bands (ev): -24.9267 -24.9267 -8.6794 -8.6716 -8.4501 -8.4391 -8.3551 -8.3530 -4.4168 -4.4035 -1.5855 -1.5645 -1.5361 -1.2976 -1.2540 -1.2216 -1.2052 -1.1815 -0.9552 -0.7566 0.7919 0.8504 2.4689 2.5457 4.9378 4.9434 7.2241 7.2289 10.2061 10.3139 10.4540 10.4663 11.0903 11.1014 k = 0.3333 0.5774 0.1866 ( 2721 PWs) bands (ev): -24.9267 -24.9267 -8.6789 -8.6715 -8.4491 -8.4387 -8.3560 -8.3540 -4.4185 -4.4054 -1.5852 -1.5647 -1.5359 -1.2983 -1.2537 -1.2219 -1.2048 -1.1813 -0.9556 -0.7569 0.7908 0.8495 2.4851 2.5623 4.9154 4.9206 7.1795 7.1850 10.2896 10.4022 10.5442 10.5567 10.9912 11.0000 k = 0.3333 0.5774 0.2000 ( 2721 PWs) bands (ev): -24.9267 -24.9267 -8.6784 -8.6714 -8.4480 -8.4382 -8.3569 -8.3550 -4.4202 -4.4072 -1.5849 -1.5649 -1.5357 -1.2989 -1.2533 -1.2222 -1.2044 -1.1812 -0.9560 -0.7573 0.7897 0.8487 2.5017 2.5793 4.8930 4.8978 7.1361 7.1424 10.3721 10.4899 10.6365 10.6495 10.8956 10.9020 k = 0.3333 0.5774 0.2133 ( 2721 PWs) bands (ev): -24.9267 -24.9267 -8.6778 -8.6713 -8.4470 -8.4377 -8.3579 -8.3560 -4.4218 -4.4091 -1.5845 -1.5650 -1.5355 -1.2996 -1.2530 -1.2225 -1.2040 -1.1810 -0.9564 -0.7576 0.7886 0.8478 2.5185 2.5965 4.8710 4.8754 7.0944 7.1014 10.4528 10.5759 10.7284 10.7435 10.8056 10.8080 k = 0.3333 0.5774 0.2266 ( 2721 PWs) bands (ev): -24.9266 -24.9266 -8.6773 -8.6712 -8.4459 -8.4373 -8.3588 -8.3570 -4.4235 -4.4110 -1.5842 -1.5652 -1.5353 -1.3002 -1.2527 -1.2228 -1.2037 -1.1808 -0.9569 -0.7579 0.7874 0.8470 2.5353 2.6137 4.8495 4.8534 7.0545 7.0623 10.5306 10.6592 10.7124 10.7185 10.8277 10.8374 k = 0.3333 0.5774 0.2399 ( 2718 PWs) bands (ev): -24.9266 -24.9266 -8.6768 -8.6711 -8.4449 -8.4368 -8.3597 -8.3580 -4.4251 -4.4128 -1.5839 -1.5654 -1.5351 -1.3008 -1.2523 -1.2231 -1.2033 -1.1807 -0.9573 -0.7582 0.7863 0.8462 2.5520 2.6308 4.8287 4.8322 7.0167 7.0252 10.6047 10.6301 10.6332 10.7393 10.9193 10.9297 k = 0.3333 0.5774 0.2533 ( 2715 PWs) bands (ev): -24.9266 -24.9266 -8.6763 -8.6710 -8.4439 -8.4364 -8.3606 -8.3590 -4.4267 -4.4146 -1.5835 -1.5655 -1.5349 -1.3014 -1.2520 -1.2234 -1.2029 -1.1806 -0.9577 -0.7585 0.7853 0.8454 2.5683 2.6475 4.8087 4.8119 6.9811 6.9904 10.5517 10.5532 10.6744 10.8144 11.0088 11.0185 k = 0.3333 0.5774 0.2666 ( 2721 PWs) bands (ev): -24.9266 -24.9266 -8.6758 -8.6709 -8.4430 -8.4359 -8.3614 -8.3599 -4.4283 -4.4164 -1.5832 -1.5657 -1.5347 -1.3020 -1.2517 -1.2237 -1.2026 -1.1804 -0.9581 -0.7588 0.7842 0.8446 2.5842 2.6638 4.7898 4.7926 6.9480 6.9579 10.4783 10.4785 10.7387 10.8841 11.0934 11.1017 k = 0.3333 0.5774 0.2799 ( 2721 PWs) bands (ev): -24.9265 -24.9265 -8.6754 -8.6708 -8.4420 -8.4355 -8.3622 -8.3608 -4.4298 -4.4180 -1.5829 -1.5658 -1.5345 -1.3025 -1.2514 -1.2240 -1.2023 -1.1803 -0.9584 -0.7591 0.7832 0.8439 2.5994 2.6794 4.7721 4.7746 6.9173 6.9279 10.4093 10.4103 10.7971 10.9474 11.1711 11.1774 k = 0.3333 0.5774 0.2933 ( 2721 PWs) bands (ev): -24.9265 -24.9265 -8.6750 -8.6707 -8.4412 -8.4351 -8.3630 -8.3616 -4.4311 -4.4196 -1.5827 -1.5660 -1.5343 -1.3030 -1.2511 -1.2242 -1.2020 -1.1802 -0.9588 -0.7594 0.7823 0.8432 2.6137 2.6941 4.7557 4.7579 6.8893 6.9005 10.3459 10.3479 10.8492 11.0038 11.2399 11.2434 k = 0.3333 0.5774 0.3066 ( 2730 PWs) bands (ev): -24.9265 -24.9265 -8.6746 -8.6707 -8.4404 -8.4348 -8.3637 -8.3624 -4.4324 -4.4210 -1.5824 -1.5661 -1.5342 -1.3035 -1.2509 -1.2245 -1.2017 -1.1801 -0.9591 -0.7596 0.7815 0.8425 2.6270 2.7078 4.7407 4.7427 6.8640 6.8757 10.2885 10.2915 10.8948 11.0530 11.2986 11.2988 k = 0.3333 0.5774 0.3199 ( 2730 PWs) bands (ev): -24.9265 -24.9265 -8.6743 -8.6706 -8.4396 -8.4345 -8.3643 -8.3631 -4.4336 -4.4223 -1.5822 -1.5662 -1.5340 -1.3039 -1.2507 -1.2247 -1.2015 -1.1800 -0.9594 -0.7599 0.7807 0.8419 2.6392 2.7203 4.7272 4.7290 6.8416 6.8537 10.2374 10.2412 10.9339 11.0950 11.3431 11.3466 k = 0.3333 0.5774 0.3333 ( 2724 PWs) bands (ev): -24.9265 -24.9265 -8.6739 -8.6705 -8.4390 -8.4342 -8.3648 -8.3637 -4.4346 -4.4235 -1.5820 -1.5663 -1.5339 -1.3043 -1.2505 -1.2248 -1.2012 -1.1799 -0.9597 -0.7601 0.7800 0.8414 2.6501 2.7315 4.7154 4.7169 6.8220 6.8346 10.1926 10.1972 10.9666 11.1299 11.3771 11.3842 k = 0.3333 0.5774 0.3466 ( 2730 PWs) bands (ev): -24.9265 -24.9265 -8.6737 -8.6705 -8.4385 -8.4339 -8.3653 -8.3642 -4.4355 -4.4245 -1.5818 -1.5664 -1.5338 -1.3046 -1.2503 -1.2250 -1.2011 -1.1798 -0.9599 -0.7602 0.7794 0.8410 2.6595 2.7412 4.7053 4.7066 6.8053 6.8183 10.1545 10.1596 10.9933 11.1582 11.4021 11.4126 k = 0.3333 0.5774 0.3599 ( 2724 PWs) bands (ev): -24.9265 -24.9265 -8.6735 -8.6705 -8.4380 -8.4337 -8.3657 -8.3647 -4.4362 -4.4253 -1.5817 -1.5665 -1.5337 -1.3049 -1.2501 -1.2251 -1.2009 -1.1798 -0.9601 -0.7604 0.7789 0.8406 2.6674 2.7493 4.6969 4.6981 6.7916 6.8049 10.1231 10.1287 11.0144 11.1804 11.4200 11.4332 k = 0.3333 0.5774 0.3732 ( 2727 PWs) bands (ev): -24.9265 -24.9265 -8.6733 -8.6704 -8.4376 -8.4335 -8.3660 -8.3650 -4.4368 -4.4260 -1.5816 -1.5665 -1.5336 -1.3051 -1.2500 -1.2252 -1.2008 -1.1797 -0.9602 -0.7605 0.7785 0.8403 2.6737 2.7557 4.6903 4.6914 6.7809 6.7944 10.0985 10.1045 11.0303 11.1969 11.4322 11.4476 k = 0.3333 0.5774 0.3866 ( 2727 PWs) bands (ev): -24.9264 -24.9264 -8.6732 -8.6704 -8.4373 -8.4334 -8.3662 -8.3653 -4.4373 -4.4264 -1.5815 -1.5666 -1.5336 -1.3053 -1.2500 -1.2253 -1.2007 -1.1797 -0.9603 -0.7606 0.7782 0.8401 2.6782 2.7603 4.6856 4.6866 6.7732 6.7869 10.0809 10.0872 11.0414 11.2084 11.4400 11.4569 k = 0.3333 0.5774 0.3999 ( 2721 PWs) bands (ev): -24.9264 -24.9264 -8.6731 -8.6704 -8.4372 -8.4333 -8.3663 -8.3654 -4.4375 -4.4267 -1.5814 -1.5666 -1.5335 -1.3053 -1.2499 -1.2253 -1.2006 -1.1796 -0.9604 -0.7606 0.7781 0.8400 2.6809 2.7631 4.6828 4.6837 6.7686 6.7824 10.0703 10.0768 11.0479 11.2151 11.4443 11.4622 k = 0.3333 0.5774 0.4132 ( 2724 PWs) bands (ev): -24.9264 -24.9264 -8.6731 -8.6704 -8.4371 -8.4333 -8.3664 -8.3655 -4.4376 -4.4268 -1.5814 -1.5666 -1.5335 -1.3054 -1.2499 -1.2254 -1.2006 -1.1796 -0.9604 -0.7606 0.7780 0.8399 2.6818 2.7641 4.6818 4.6828 6.7671 6.7809 10.0668 10.0733 11.0500 11.2173 11.4457 11.4638 Writing output data file KZnAs.save init_run : 3.56s CPU 13.81s WALL ( 1 calls) electrons : 246.66s CPU 252.76s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.49s CPU 1.56s WALL ( 1 calls) Called by electrons: c_bands : 246.57s CPU 252.28s WALL ( 1 calls) v_of_rho : 0.18s CPU 0.93s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.17s CPU 0.60s WALL ( 1 calls) newd : 0.32s CPU 0.46s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.16s WALL ( 338 calls) cegterg : 217.12s CPU 218.92s WALL ( 638 calls) Called by sum_band: Called by *egterg: h_psi : 98.86s CPU 104.07s WALL ( 10382 calls) s_psi : 9.40s CPU 9.94s WALL ( 10382 calls) g_psi : 0.21s CPU 0.28s WALL ( 9406 calls) cdiaghg : 79.99s CPU 78.23s WALL ( 9744 calls) cegterg:over : 18.81s CPU 16.37s WALL ( 9406 calls) cegterg:upda : 1.67s CPU 3.79s WALL ( 9406 calls) cegterg:last : 1.99s CPU 2.62s WALL ( 1720 calls) Called by h_psi: h_psi:vloc : 80.68s CPU 85.35s WALL ( 10382 calls) h_psi:vnl : 18.12s CPU 18.46s WALL ( 10382 calls) add_vuspsi : 4.08s CPU 7.00s WALL ( 10382 calls) General routines calbec : 14.02s CPU 11.37s WALL ( 10382 calls) fft : 0.41s CPU 1.04s WALL ( 19 calls) ffts : 0.00s CPU 0.06s WALL ( 4 calls) fftw : 76.16s CPU 79.89s WALL ( 734880 calls) interpolate : 0.04s CPU 0.15s WALL ( 4 calls) davcio : 0.03s CPU 2.15s WALL ( 676 calls) Parallel routines fft_scatter : 53.33s CPU 55.88s WALL ( 734903 calls) PWSCF : 4m45.18s CPU 5m53.42s WALL This run was terminated on: 16:13:55 7Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=