Program PWSCF v.5.1.1 starts on 26Jun2015 at 11:45:47 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: ./PbS.save/ file Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 5D 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 19 17 5 945 785 123 Max 20 18 6 958 804 130 Sum 931 835 241 45535 38055 6037 bravais-lattice index = 14 lattice parameter (alat) = 7.9935 a.u. unit-cell volume = 873.1610 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 212.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.993541 celldm(2)= 1.000000 celldm(3)= 1.973995 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 1.973995 ) 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 0.506587 ) PseudoPot. # 1 for S read from file: /home/autes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Pb read from file: /home/autes/Pseudo/Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 75f9fe62f948a5acf869e43db2c29526 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1281 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) Pb 14.00 207.20000 Pb( 1.00) 6 Sym. Ops. (no inversion) found (note: 6 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) 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 = 2 120 deg rotation - cryst. axis [0,0,1] cryst. s( 2) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 3) = ( -1 -1 0 ) ( 1 0 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 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 1 1 0 ) ( 0 -1 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 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 0 -1 0 ) ( -1 0 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 ) double point group C_3v (3m) there are 6 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3s_v -3s_v G_4 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6 1.00 -1.00 -1.00 1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3s_v -3s_v G_4 0.00 0.00 0.00 0.00 0.00 0.00 G_5 0.00 0.00 0.00 0.00 1.00 -1.00 G_6 0.00 0.00 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 2C3 2 3 3s_v 4 5 -6 3s_v 6 -4 -5 -E -1 -2C3 -2 -3 Cartesian axes number of k points= 302 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033113 k( 2) = ( 0.0116279 0.0067134 -0.0000000), wk = 0.0033113 k( 3) = ( 0.0232558 0.0134267 -0.0000000), wk = 0.0033113 k( 4) = ( 0.0348837 0.0201401 -0.0000000), wk = 0.0033113 k( 5) = ( 0.0465116 0.0268535 -0.0000000), wk = 0.0033113 k( 6) = ( 0.0581395 0.0335669 -0.0000000), wk = 0.0033113 k( 7) = ( 0.0697674 0.0402803 -0.0000000), wk = 0.0033113 k( 8) = ( 0.0813954 0.0469936 -0.0000000), wk = 0.0033113 k( 9) = ( 0.0930233 0.0537070 -0.0000000), wk = 0.0033113 k( 10) = ( 0.1046512 0.0604204 -0.0000000), wk = 0.0033113 k( 11) = ( 0.1162791 0.0671338 -0.0000000), wk = 0.0033113 k( 12) = ( 0.1279070 0.0738471 -0.0000000), wk = 0.0033113 k( 13) = ( 0.1395349 0.0805605 -0.0000000), wk = 0.0033113 k( 14) = ( 0.1511628 0.0872739 -0.0000000), wk = 0.0033113 k( 15) = ( 0.1627907 0.0939873 -0.0000000), wk = 0.0033113 k( 16) = ( 0.1744186 0.1007006 -0.0000000), wk = 0.0033113 k( 17) = ( 0.1860465 0.1074140 -0.0000000), wk = 0.0033113 k( 18) = ( 0.1976744 0.1141274 -0.0000000), wk = 0.0033113 k( 19) = ( 0.2093023 0.1208408 -0.0000000), wk = 0.0033113 k( 20) = ( 0.2209302 0.1275541 -0.0000000), wk = 0.0033113 k( 21) = ( 0.2325581 0.1342675 -0.0000000), wk = 0.0033113 k( 22) = ( 0.2441860 0.1409809 -0.0000000), wk = 0.0033113 k( 23) = ( 0.2558140 0.1476943 -0.0000000), wk = 0.0033113 k( 24) = ( 0.2674419 0.1544076 -0.0000000), wk = 0.0033113 k( 25) = ( 0.2790698 0.1611210 -0.0000000), wk = 0.0033113 k( 26) = ( 0.2906977 0.1678344 -0.0000000), wk = 0.0033113 k( 27) = ( 0.3023256 0.1745478 -0.0000000), wk = 0.0033113 k( 28) = ( 0.3139535 0.1812611 -0.0000000), wk = 0.0033113 k( 29) = ( 0.3255814 0.1879745 -0.0000000), wk = 0.0033113 k( 30) = ( 0.3372093 0.1946879 -0.0000000), wk = 0.0033113 k( 31) = ( 0.3488372 0.2014013 -0.0000000), wk = 0.0033113 k( 32) = ( 0.3604651 0.2081146 -0.0000000), wk = 0.0033113 k( 33) = ( 0.3720930 0.2148280 -0.0000000), wk = 0.0033113 k( 34) = ( 0.3837209 0.2215414 -0.0000000), wk = 0.0033113 k( 35) = ( 0.3953488 0.2282548 -0.0000000), wk = 0.0033113 k( 36) = ( 0.4069767 0.2349681 -0.0000000), wk = 0.0033113 k( 37) = ( 0.4186047 0.2416815 -0.0000000), wk = 0.0033113 k( 38) = ( 0.4302326 0.2483949 -0.0000000), wk = 0.0033113 k( 39) = ( 0.4418605 0.2551083 -0.0000000), wk = 0.0033113 k( 40) = ( 0.4534884 0.2618216 -0.0000000), wk = 0.0033113 k( 41) = ( 0.4651163 0.2685350 -0.0000000), wk = 0.0033113 k( 42) = ( 0.4767442 0.2752484 -0.0000000), wk = 0.0033113 k( 43) = ( 0.4883721 0.2819618 -0.0000000), wk = 0.0033113 k( 44) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033113 k( 45) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033113 k( 46) = ( 0.4933333 0.3002221 -0.0000000), wk = 0.0033113 k( 47) = ( 0.4866667 0.3117692 -0.0000000), wk = 0.0033113 k( 48) = ( 0.4800000 0.3233162 -0.0000000), wk = 0.0033113 k( 49) = ( 0.4733333 0.3348632 -0.0000000), wk = 0.0033113 k( 50) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0033113 k( 51) = ( 0.4600000 0.3579572 -0.0000000), wk = 0.0033113 k( 52) = ( 0.4533333 0.3695042 -0.0000000), wk = 0.0033113 k( 53) = ( 0.4466667 0.3810512 -0.0000000), wk = 0.0033113 k( 54) = ( 0.4400000 0.3925982 -0.0000000), wk = 0.0033113 k( 55) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0033113 k( 56) = ( 0.4266667 0.4156922 -0.0000000), wk = 0.0033113 k( 57) = ( 0.4200000 0.4272392 -0.0000000), wk = 0.0033113 k( 58) = ( 0.4133333 0.4387862 -0.0000000), wk = 0.0033113 k( 59) = ( 0.4066667 0.4503332 -0.0000000), wk = 0.0033113 k( 60) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0033113 k( 61) = ( 0.3933333 0.4734272 -0.0000000), wk = 0.0033113 k( 62) = ( 0.3866667 0.4849742 -0.0000000), wk = 0.0033113 k( 63) = ( 0.3800000 0.4965212 -0.0000000), wk = 0.0033113 k( 64) = ( 0.3733333 0.5080682 -0.0000000), wk = 0.0033113 k( 65) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0033113 k( 66) = ( 0.3600000 0.5311622 -0.0000000), wk = 0.0033113 k( 67) = ( 0.3533333 0.5427092 -0.0000000), wk = 0.0033113 k( 68) = ( 0.3466667 0.5542563 -0.0000000), wk = 0.0033113 k( 69) = ( 0.3400000 0.5658033 -0.0000000), wk = 0.0033113 k( 70) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033113 k( 71) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033113 k( 72) = ( 0.3266667 0.5658033 -0.0000000), wk = 0.0033113 k( 73) = ( 0.3200000 0.5542563 -0.0000000), wk = 0.0033113 k( 74) = ( 0.3133333 0.5427092 -0.0000000), wk = 0.0033113 k( 75) = ( 0.3066667 0.5311623 -0.0000000), wk = 0.0033113 k( 76) = ( 0.3000000 0.5196152 -0.0000000), wk = 0.0033113 k( 77) = ( 0.2933333 0.5080682 -0.0000000), wk = 0.0033113 k( 78) = ( 0.2866667 0.4965212 -0.0000000), wk = 0.0033113 k( 79) = ( 0.2800000 0.4849742 -0.0000000), wk = 0.0033113 k( 80) = ( 0.2733333 0.4734272 -0.0000000), wk = 0.0033113 k( 81) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0033113 k( 82) = ( 0.2600000 0.4503332 -0.0000000), wk = 0.0033113 k( 83) = ( 0.2533333 0.4387862 -0.0000000), wk = 0.0033113 k( 84) = ( 0.2466667 0.4272392 -0.0000000), wk = 0.0033113 k( 85) = ( 0.2400000 0.4156922 -0.0000000), wk = 0.0033113 k( 86) = ( 0.2333333 0.4041452 -0.0000000), wk = 0.0033113 k( 87) = ( 0.2266667 0.3925982 -0.0000000), wk = 0.0033113 k( 88) = ( 0.2200000 0.3810512 -0.0000000), wk = 0.0033113 k( 89) = ( 0.2133333 0.3695042 -0.0000000), wk = 0.0033113 k( 90) = ( 0.2066667 0.3579572 -0.0000000), wk = 0.0033113 k( 91) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0033113 k( 92) = ( 0.1933333 0.3348632 -0.0000000), wk = 0.0033113 k( 93) = ( 0.1866667 0.3233162 -0.0000000), wk = 0.0033113 k( 94) = ( 0.1800000 0.3117691 -0.0000000), wk = 0.0033113 k( 95) = ( 0.1733333 0.3002221 -0.0000000), wk = 0.0033113 k( 96) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0033113 k( 97) = ( 0.1600000 0.2771281 -0.0000000), wk = 0.0033113 k( 98) = ( 0.1533333 0.2655811 -0.0000000), wk = 0.0033113 k( 99) = ( 0.1466667 0.2540341 -0.0000000), wk = 0.0033113 k( 100) = ( 0.1400000 0.2424871 -0.0000000), wk = 0.0033113 k( 101) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0033113 k( 102) = ( 0.1266667 0.2193931 -0.0000000), wk = 0.0033113 k( 103) = ( 0.1200000 0.2078461 -0.0000000), wk = 0.0033113 k( 104) = ( 0.1133333 0.1962991 -0.0000000), wk = 0.0033113 k( 105) = ( 0.1066667 0.1847521 -0.0000000), wk = 0.0033113 k( 106) = ( 0.1000000 0.1732051 -0.0000000), wk = 0.0033113 k( 107) = ( 0.0933333 0.1616581 -0.0000000), wk = 0.0033113 k( 108) = ( 0.0866667 0.1501111 -0.0000000), wk = 0.0033113 k( 109) = ( 0.0800000 0.1385641 -0.0000000), wk = 0.0033113 k( 110) = ( 0.0733333 0.1270171 -0.0000000), wk = 0.0033113 k( 111) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0033113 k( 112) = ( 0.0600000 0.1039230 -0.0000000), wk = 0.0033113 k( 113) = ( 0.0533333 0.0923760 -0.0000000), wk = 0.0033113 k( 114) = ( 0.0466667 0.0808290 -0.0000000), wk = 0.0033113 k( 115) = ( 0.0400000 0.0692820 -0.0000000), wk = 0.0033113 k( 116) = ( 0.0333333 0.0577350 -0.0000000), wk = 0.0033113 k( 117) = ( 0.0266667 0.0461880 -0.0000000), wk = 0.0033113 k( 118) = ( 0.0200000 0.0346410 -0.0000000), wk = 0.0033113 k( 119) = ( 0.0133333 0.0230940 -0.0000000), wk = 0.0033113 k( 120) = ( 0.0066667 0.0115470 -0.0000000), wk = 0.0033113 k( 121) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033113 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033113 k( 123) = ( 0.0000000 0.0000000 0.0133312), wk = 0.0033113 k( 124) = ( 0.0000000 0.0000000 0.0266625), wk = 0.0033113 k( 125) = ( 0.0000000 0.0000000 0.0399937), wk = 0.0033113 k( 126) = ( 0.0000000 0.0000000 0.0533249), wk = 0.0033113 k( 127) = ( 0.0000000 0.0000000 0.0666562), wk = 0.0033113 k( 128) = ( 0.0000000 0.0000000 0.0799874), wk = 0.0033113 k( 129) = ( 0.0000000 0.0000000 0.0933186), wk = 0.0033113 k( 130) = ( 0.0000000 0.0000000 0.1066499), wk = 0.0033113 k( 131) = ( 0.0000000 0.0000000 0.1199811), wk = 0.0033113 k( 132) = ( 0.0000000 0.0000000 0.1333123), wk = 0.0033113 k( 133) = ( 0.0000000 0.0000000 0.1466436), wk = 0.0033113 k( 134) = ( 0.0000000 0.0000000 0.1599748), wk = 0.0033113 k( 135) = ( 0.0000000 0.0000000 0.1733060), wk = 0.0033113 k( 136) = ( 0.0000000 0.0000000 0.1866373), wk = 0.0033113 k( 137) = ( 0.0000000 0.0000000 0.1999685), wk = 0.0033113 k( 138) = ( 0.0000000 0.0000000 0.2132997), wk = 0.0033113 k( 139) = ( 0.0000000 0.0000000 0.2266309), wk = 0.0033113 k( 140) = ( 0.0000000 0.0000000 0.2399622), wk = 0.0033113 k( 141) = ( 0.0000000 0.0000000 0.2532934), wk = 0.0033113 k( 142) = ( 0.0000000 0.0000000 0.2532934), wk = 0.0033113 k( 143) = ( 0.0116279 0.0067134 0.2532934), wk = 0.0033113 k( 144) = ( 0.0232558 0.0134267 0.2532934), wk = 0.0033113 k( 145) = ( 0.0348837 0.0201401 0.2532934), wk = 0.0033113 k( 146) = ( 0.0465116 0.0268535 0.2532934), wk = 0.0033113 k( 147) = ( 0.0581395 0.0335669 0.2532934), wk = 0.0033113 k( 148) = ( 0.0697674 0.0402803 0.2532934), wk = 0.0033113 k( 149) = ( 0.0813954 0.0469936 0.2532934), wk = 0.0033113 k( 150) = ( 0.0930233 0.0537070 0.2532934), wk = 0.0033113 k( 151) = ( 0.1046512 0.0604204 0.2532934), wk = 0.0033113 k( 152) = ( 0.1162791 0.0671338 0.2532934), wk = 0.0033113 k( 153) = ( 0.1279070 0.0738471 0.2532934), wk = 0.0033113 k( 154) = ( 0.1395349 0.0805605 0.2532934), wk = 0.0033113 k( 155) = ( 0.1511628 0.0872739 0.2532934), wk = 0.0033113 k( 156) = ( 0.1627907 0.0939873 0.2532934), wk = 0.0033113 k( 157) = ( 0.1744186 0.1007006 0.2532934), wk = 0.0033113 k( 158) = ( 0.1860465 0.1074140 0.2532934), wk = 0.0033113 k( 159) = ( 0.1976744 0.1141274 0.2532934), wk = 0.0033113 k( 160) = ( 0.2093023 0.1208408 0.2532934), wk = 0.0033113 k( 161) = ( 0.2209302 0.1275541 0.2532934), wk = 0.0033113 k( 162) = ( 0.2325581 0.1342675 0.2532934), wk = 0.0033113 k( 163) = ( 0.2441860 0.1409809 0.2532934), wk = 0.0033113 k( 164) = ( 0.2558140 0.1476943 0.2532934), wk = 0.0033113 k( 165) = ( 0.2674419 0.1544076 0.2532934), wk = 0.0033113 k( 166) = ( 0.2790698 0.1611210 0.2532934), wk = 0.0033113 k( 167) = ( 0.2906977 0.1678344 0.2532934), wk = 0.0033113 k( 168) = ( 0.3023256 0.1745478 0.2532934), wk = 0.0033113 k( 169) = ( 0.3139535 0.1812611 0.2532934), wk = 0.0033113 k( 170) = ( 0.3255814 0.1879745 0.2532934), wk = 0.0033113 k( 171) = ( 0.3372093 0.1946879 0.2532934), wk = 0.0033113 k( 172) = ( 0.3488372 0.2014013 0.2532934), wk = 0.0033113 k( 173) = ( 0.3604651 0.2081146 0.2532934), wk = 0.0033113 k( 174) = ( 0.3720930 0.2148280 0.2532934), wk = 0.0033113 k( 175) = ( 0.3837209 0.2215414 0.2532934), wk = 0.0033113 k( 176) = ( 0.3953488 0.2282548 0.2532934), wk = 0.0033113 k( 177) = ( 0.4069767 0.2349681 0.2532934), wk = 0.0033113 k( 178) = ( 0.4186047 0.2416815 0.2532934), wk = 0.0033113 k( 179) = ( 0.4302326 0.2483949 0.2532934), wk = 0.0033113 k( 180) = ( 0.4418605 0.2551083 0.2532934), wk = 0.0033113 k( 181) = ( 0.4534884 0.2618216 0.2532934), wk = 0.0033113 k( 182) = ( 0.4651163 0.2685350 0.2532934), wk = 0.0033113 k( 183) = ( 0.4767442 0.2752484 0.2532934), wk = 0.0033113 k( 184) = ( 0.4883721 0.2819618 0.2532934), wk = 0.0033113 k( 185) = ( 0.5000000 0.2886751 0.2532934), wk = 0.0033113 k( 186) = ( 0.5000000 0.2886751 0.2532934), wk = 0.0033113 k( 187) = ( 0.4933333 0.3002221 0.2532934), wk = 0.0033113 k( 188) = ( 0.4866667 0.3117692 0.2532934), wk = 0.0033113 k( 189) = ( 0.4800000 0.3233162 0.2532934), wk = 0.0033113 k( 190) = ( 0.4733333 0.3348632 0.2532934), wk = 0.0033113 k( 191) = ( 0.4666667 0.3464102 0.2532934), wk = 0.0033113 k( 192) = ( 0.4600000 0.3579572 0.2532934), wk = 0.0033113 k( 193) = ( 0.4533333 0.3695042 0.2532934), wk = 0.0033113 k( 194) = ( 0.4466667 0.3810512 0.2532934), wk = 0.0033113 k( 195) = ( 0.4400000 0.3925982 0.2532934), wk = 0.0033113 k( 196) = ( 0.4333333 0.4041452 0.2532934), wk = 0.0033113 k( 197) = ( 0.4266667 0.4156922 0.2532934), wk = 0.0033113 k( 198) = ( 0.4200000 0.4272392 0.2532934), wk = 0.0033113 k( 199) = ( 0.4133333 0.4387862 0.2532934), wk = 0.0033113 k( 200) = ( 0.4066667 0.4503332 0.2532934), wk = 0.0033113 k( 201) = ( 0.4000000 0.4618802 0.2532934), wk = 0.0033113 k( 202) = ( 0.3933333 0.4734272 0.2532934), wk = 0.0033113 k( 203) = ( 0.3866667 0.4849742 0.2532934), wk = 0.0033113 k( 204) = ( 0.3800000 0.4965212 0.2532934), wk = 0.0033113 k( 205) = ( 0.3733333 0.5080682 0.2532934), wk = 0.0033113 k( 206) = ( 0.3666667 0.5196152 0.2532934), wk = 0.0033113 k( 207) = ( 0.3600000 0.5311622 0.2532934), wk = 0.0033113 k( 208) = ( 0.3533333 0.5427092 0.2532934), wk = 0.0033113 k( 209) = ( 0.3466667 0.5542563 0.2532934), wk = 0.0033113 k( 210) = ( 0.3400000 0.5658033 0.2532934), wk = 0.0033113 k( 211) = ( 0.3333333 0.5773503 0.2532934), wk = 0.0033113 k( 212) = ( 0.3333333 0.5773503 0.2532934), wk = 0.0033113 k( 213) = ( 0.3266667 0.5658033 0.2532934), wk = 0.0033113 k( 214) = ( 0.3200000 0.5542563 0.2532934), wk = 0.0033113 k( 215) = ( 0.3133333 0.5427092 0.2532934), wk = 0.0033113 k( 216) = ( 0.3066667 0.5311623 0.2532934), wk = 0.0033113 k( 217) = ( 0.3000000 0.5196152 0.2532934), wk = 0.0033113 k( 218) = ( 0.2933333 0.5080682 0.2532934), wk = 0.0033113 k( 219) = ( 0.2866667 0.4965212 0.2532934), wk = 0.0033113 k( 220) = ( 0.2800000 0.4849742 0.2532934), wk = 0.0033113 k( 221) = ( 0.2733333 0.4734272 0.2532934), wk = 0.0033113 k( 222) = ( 0.2666667 0.4618802 0.2532934), wk = 0.0033113 k( 223) = ( 0.2600000 0.4503332 0.2532934), wk = 0.0033113 k( 224) = ( 0.2533333 0.4387862 0.2532934), wk = 0.0033113 k( 225) = ( 0.2466667 0.4272392 0.2532934), wk = 0.0033113 k( 226) = ( 0.2400000 0.4156922 0.2532934), wk = 0.0033113 k( 227) = ( 0.2333333 0.4041452 0.2532934), wk = 0.0033113 k( 228) = ( 0.2266667 0.3925982 0.2532934), wk = 0.0033113 k( 229) = ( 0.2200000 0.3810512 0.2532934), wk = 0.0033113 k( 230) = ( 0.2133333 0.3695042 0.2532934), wk = 0.0033113 k( 231) = ( 0.2066667 0.3579572 0.2532934), wk = 0.0033113 k( 232) = ( 0.2000000 0.3464102 0.2532934), wk = 0.0033113 k( 233) = ( 0.1933333 0.3348632 0.2532934), wk = 0.0033113 k( 234) = ( 0.1866667 0.3233162 0.2532934), wk = 0.0033113 k( 235) = ( 0.1800000 0.3117691 0.2532934), wk = 0.0033113 k( 236) = ( 0.1733333 0.3002221 0.2532934), wk = 0.0033113 k( 237) = ( 0.1666667 0.2886751 0.2532934), wk = 0.0033113 k( 238) = ( 0.1600000 0.2771281 0.2532934), wk = 0.0033113 k( 239) = ( 0.1533333 0.2655811 0.2532934), wk = 0.0033113 k( 240) = ( 0.1466667 0.2540341 0.2532934), wk = 0.0033113 k( 241) = ( 0.1400000 0.2424871 0.2532934), wk = 0.0033113 k( 242) = ( 0.1333333 0.2309401 0.2532934), wk = 0.0033113 k( 243) = ( 0.1266667 0.2193931 0.2532934), wk = 0.0033113 k( 244) = ( 0.1200000 0.2078461 0.2532934), wk = 0.0033113 k( 245) = ( 0.1133333 0.1962991 0.2532934), wk = 0.0033113 k( 246) = ( 0.1066667 0.1847521 0.2532934), wk = 0.0033113 k( 247) = ( 0.1000000 0.1732051 0.2532934), wk = 0.0033113 k( 248) = ( 0.0933333 0.1616581 0.2532934), wk = 0.0033113 k( 249) = ( 0.0866667 0.1501111 0.2532934), wk = 0.0033113 k( 250) = ( 0.0800000 0.1385641 0.2532934), wk = 0.0033113 k( 251) = ( 0.0733333 0.1270171 0.2532934), wk = 0.0033113 k( 252) = ( 0.0666667 0.1154701 0.2532934), wk = 0.0033113 k( 253) = ( 0.0600000 0.1039230 0.2532934), wk = 0.0033113 k( 254) = ( 0.0533333 0.0923760 0.2532934), wk = 0.0033113 k( 255) = ( 0.0466667 0.0808290 0.2532934), wk = 0.0033113 k( 256) = ( 0.0400000 0.0692820 0.2532934), wk = 0.0033113 k( 257) = ( 0.0333333 0.0577350 0.2532934), wk = 0.0033113 k( 258) = ( 0.0266667 0.0461880 0.2532934), wk = 0.0033113 k( 259) = ( 0.0200000 0.0346410 0.2532934), wk = 0.0033113 k( 260) = ( 0.0133333 0.0230940 0.2532934), wk = 0.0033113 k( 261) = ( 0.0066667 0.0115470 0.2532934), wk = 0.0033113 k( 262) = ( 0.0000000 0.0000000 0.2532934), wk = 0.0033113 k( 263) = ( 0.5000000 0.2886751 0.2532934), wk = 0.0033113 k( 264) = ( 0.5000000 0.2886751 0.2399622), wk = 0.0033113 k( 265) = ( 0.5000000 0.2886751 0.2266309), wk = 0.0033113 k( 266) = ( 0.5000000 0.2886751 0.2132997), wk = 0.0033113 k( 267) = ( 0.5000000 0.2886751 0.1999685), wk = 0.0033113 k( 268) = ( 0.5000000 0.2886751 0.1866373), wk = 0.0033113 k( 269) = ( 0.5000000 0.2886751 0.1733060), wk = 0.0033113 k( 270) = ( 0.5000000 0.2886751 0.1599748), wk = 0.0033113 k( 271) = ( 0.5000000 0.2886751 0.1466436), wk = 0.0033113 k( 272) = ( 0.5000000 0.2886751 0.1333123), wk = 0.0033113 k( 273) = ( 0.5000000 0.2886751 0.1199811), wk = 0.0033113 k( 274) = ( 0.5000000 0.2886751 0.1066499), wk = 0.0033113 k( 275) = ( 0.5000000 0.2886751 0.0933186), wk = 0.0033113 k( 276) = ( 0.5000000 0.2886751 0.0799874), wk = 0.0033113 k( 277) = ( 0.5000000 0.2886751 0.0666562), wk = 0.0033113 k( 278) = ( 0.5000000 0.2886751 0.0533249), wk = 0.0033113 k( 279) = ( 0.5000000 0.2886751 0.0399937), wk = 0.0033113 k( 280) = ( 0.5000000 0.2886751 0.0266625), wk = 0.0033113 k( 281) = ( 0.5000000 0.2886751 0.0133312), wk = 0.0033113 k( 282) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033113 k( 283) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033113 k( 284) = ( 0.3333333 0.5773503 0.0133312), wk = 0.0033113 k( 285) = ( 0.3333333 0.5773503 0.0266625), wk = 0.0033113 k( 286) = ( 0.3333333 0.5773503 0.0399937), wk = 0.0033113 k( 287) = ( 0.3333333 0.5773503 0.0533249), wk = 0.0033113 k( 288) = ( 0.3333333 0.5773503 0.0666562), wk = 0.0033113 k( 289) = ( 0.3333333 0.5773503 0.0799874), wk = 0.0033113 k( 290) = ( 0.3333333 0.5773503 0.0933186), wk = 0.0033113 k( 291) = ( 0.3333333 0.5773503 0.1066499), wk = 0.0033113 k( 292) = ( 0.3333333 0.5773503 0.1199811), wk = 0.0033113 k( 293) = ( 0.3333333 0.5773503 0.1333123), wk = 0.0033113 k( 294) = ( 0.3333333 0.5773503 0.1466436), wk = 0.0033113 k( 295) = ( 0.3333333 0.5773503 0.1599748), wk = 0.0033113 k( 296) = ( 0.3333333 0.5773503 0.1733060), wk = 0.0033113 k( 297) = ( 0.3333333 0.5773503 0.1866373), wk = 0.0033113 k( 298) = ( 0.3333333 0.5773503 0.1999685), wk = 0.0033113 k( 299) = ( 0.3333333 0.5773503 0.2132997), wk = 0.0033113 k( 300) = ( 0.3333333 0.5773503 0.2266309), wk = 0.0033113 k( 301) = ( 0.3333333 0.5773503 0.2399622), wk = 0.0033113 k( 302) = ( 0.3333333 0.5773503 0.2532934), wk = 0.0033113 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033113 k( 2) = ( 0.0116279 0.0000000 0.0000000), wk = 0.0033113 k( 3) = ( 0.0232558 0.0000000 0.0000000), wk = 0.0033113 k( 4) = ( 0.0348837 0.0000000 -0.0000000), wk = 0.0033113 k( 5) = ( 0.0465116 0.0000000 0.0000000), wk = 0.0033113 k( 6) = ( 0.0581395 -0.0000000 -0.0000000), wk = 0.0033113 k( 7) = ( 0.0697674 0.0000000 -0.0000000), wk = 0.0033113 k( 8) = ( 0.0813954 -0.0000000 0.0000000), wk = 0.0033113 k( 9) = ( 0.0930233 0.0000000 0.0000000), wk = 0.0033113 k( 10) = ( 0.1046512 -0.0000000 0.0000000), wk = 0.0033113 k( 11) = ( 0.1162791 -0.0000000 -0.0000000), wk = 0.0033113 k( 12) = ( 0.1279070 0.0000000 -0.0000000), wk = 0.0033113 k( 13) = ( 0.1395349 0.0000000 -0.0000000), wk = 0.0033113 k( 14) = ( 0.1511628 -0.0000000 -0.0000000), wk = 0.0033113 k( 15) = ( 0.1627907 -0.0000000 0.0000000), wk = 0.0033113 k( 16) = ( 0.1744186 -0.0000000 0.0000000), wk = 0.0033113 k( 17) = ( 0.1860465 0.0000000 0.0000000), wk = 0.0033113 k( 18) = ( 0.1976744 -0.0000000 -0.0000000), wk = 0.0033113 k( 19) = ( 0.2093023 -0.0000000 0.0000000), wk = 0.0033113 k( 20) = ( 0.2209302 0.0000000 0.0000000), wk = 0.0033113 k( 21) = ( 0.2325581 -0.0000000 -0.0000000), wk = 0.0033113 k( 22) = ( 0.2441860 -0.0000000 0.0000000), wk = 0.0033113 k( 23) = ( 0.2558140 0.0000000 0.0000000), wk = 0.0033113 k( 24) = ( 0.2674419 0.0000000 -0.0000000), wk = 0.0033113 k( 25) = ( 0.2790698 0.0000000 0.0000000), wk = 0.0033113 k( 26) = ( 0.2906977 0.0000000 0.0000000), wk = 0.0033113 k( 27) = ( 0.3023256 -0.0000000 -0.0000000), wk = 0.0033113 k( 28) = ( 0.3139535 0.0000000 0.0000000), wk = 0.0033113 k( 29) = ( 0.3255814 -0.0000000 0.0000000), wk = 0.0033113 k( 30) = ( 0.3372093 0.0000000 0.0000000), wk = 0.0033113 k( 31) = ( 0.3488372 -0.0000000 0.0000000), wk = 0.0033113 k( 32) = ( 0.3604651 0.0000000 -0.0000000), wk = 0.0033113 k( 33) = ( 0.3720930 0.0000000 0.0000000), wk = 0.0033113 k( 34) = ( 0.3837209 0.0000000 -0.0000000), wk = 0.0033113 k( 35) = ( 0.3953488 -0.0000000 -0.0000000), wk = 0.0033113 k( 36) = ( 0.4069767 -0.0000000 0.0000000), wk = 0.0033113 k( 37) = ( 0.4186047 -0.0000000 0.0000000), wk = 0.0033113 k( 38) = ( 0.4302326 -0.0000000 0.0000000), wk = 0.0033113 k( 39) = ( 0.4418605 -0.0000000 0.0000000), wk = 0.0033113 k( 40) = ( 0.4534884 -0.0000000 0.0000000), wk = 0.0033113 k( 41) = ( 0.4651163 -0.0000000 -0.0000000), wk = 0.0033113 k( 42) = ( 0.4767442 0.0000000 0.0000000), wk = 0.0033113 k( 43) = ( 0.4883721 0.0000000 -0.0000000), wk = 0.0033113 k( 44) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0033113 k( 45) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0033113 k( 46) = ( 0.4933333 0.0133333 0.0000000), wk = 0.0033113 k( 47) = ( 0.4866667 0.0266667 -0.0000000), wk = 0.0033113 k( 48) = ( 0.4800000 0.0400000 0.0000000), wk = 0.0033113 k( 49) = ( 0.4733333 0.0533333 0.0000000), wk = 0.0033113 k( 50) = ( 0.4666667 0.0666667 0.0000000), wk = 0.0033113 k( 51) = ( 0.4600000 0.0800000 0.0000000), wk = 0.0033113 k( 52) = ( 0.4533333 0.0933333 0.0000000), wk = 0.0033113 k( 53) = ( 0.4466667 0.1066667 -0.0000000), wk = 0.0033113 k( 54) = ( 0.4400000 0.1200000 0.0000000), wk = 0.0033113 k( 55) = ( 0.4333333 0.1333333 -0.0000000), wk = 0.0033113 k( 56) = ( 0.4266667 0.1466667 0.0000000), wk = 0.0033113 k( 57) = ( 0.4200000 0.1600000 0.0000000), wk = 0.0033113 k( 58) = ( 0.4133333 0.1733333 0.0000000), wk = 0.0033113 k( 59) = ( 0.4066667 0.1866667 -0.0000000), wk = 0.0033113 k( 60) = ( 0.4000000 0.2000000 0.0000000), wk = 0.0033113 k( 61) = ( 0.3933333 0.2133333 0.0000000), wk = 0.0033113 k( 62) = ( 0.3866667 0.2266667 0.0000000), wk = 0.0033113 k( 63) = ( 0.3800000 0.2400000 0.0000000), wk = 0.0033113 k( 64) = ( 0.3733333 0.2533333 0.0000000), wk = 0.0033113 k( 65) = ( 0.3666667 0.2666667 -0.0000000), wk = 0.0033113 k( 66) = ( 0.3600000 0.2800000 0.0000000), wk = 0.0033113 k( 67) = ( 0.3533333 0.2933333 0.0000000), wk = 0.0033113 k( 68) = ( 0.3466667 0.3066667 0.0000000), wk = 0.0033113 k( 69) = ( 0.3400000 0.3200000 -0.0000000), wk = 0.0033113 k( 70) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0033113 k( 71) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0033113 k( 72) = ( 0.3266667 0.3266667 0.0000000), wk = 0.0033113 k( 73) = ( 0.3200000 0.3200000 0.0000000), wk = 0.0033113 k( 74) = ( 0.3133333 0.3133333 -0.0000000), wk = 0.0033113 k( 75) = ( 0.3066667 0.3066667 0.0000000), wk = 0.0033113 k( 76) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0033113 k( 77) = ( 0.2933333 0.2933333 0.0000000), wk = 0.0033113 k( 78) = ( 0.2866667 0.2866667 0.0000000), wk = 0.0033113 k( 79) = ( 0.2800000 0.2800000 -0.0000000), wk = 0.0033113 k( 80) = ( 0.2733333 0.2733333 0.0000000), wk = 0.0033113 k( 81) = ( 0.2666667 0.2666667 -0.0000000), wk = 0.0033113 k( 82) = ( 0.2600000 0.2600000 -0.0000000), wk = 0.0033113 k( 83) = ( 0.2533333 0.2533333 0.0000000), wk = 0.0033113 k( 84) = ( 0.2466667 0.2466667 0.0000000), wk = 0.0033113 k( 85) = ( 0.2400000 0.2400000 0.0000000), wk = 0.0033113 k( 86) = ( 0.2333333 0.2333333 -0.0000000), wk = 0.0033113 k( 87) = ( 0.2266667 0.2266667 0.0000000), wk = 0.0033113 k( 88) = ( 0.2200000 0.2200000 0.0000000), wk = 0.0033113 k( 89) = ( 0.2133333 0.2133333 0.0000000), wk = 0.0033113 k( 90) = ( 0.2066667 0.2066667 0.0000000), wk = 0.0033113 k( 91) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0033113 k( 92) = ( 0.1933333 0.1933333 0.0000000), wk = 0.0033113 k( 93) = ( 0.1866667 0.1866667 0.0000000), wk = 0.0033113 k( 94) = ( 0.1800000 0.1800000 0.0000000), wk = 0.0033113 k( 95) = ( 0.1733333 0.1733333 0.0000000), wk = 0.0033113 k( 96) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0033113 k( 97) = ( 0.1600000 0.1600000 0.0000000), wk = 0.0033113 k( 98) = ( 0.1533333 0.1533333 -0.0000000), wk = 0.0033113 k( 99) = ( 0.1466667 0.1466667 0.0000000), wk = 0.0033113 k( 100) = ( 0.1400000 0.1400000 -0.0000000), wk = 0.0033113 k( 101) = ( 0.1333333 0.1333333 -0.0000000), wk = 0.0033113 k( 102) = ( 0.1266667 0.1266667 -0.0000000), wk = 0.0033113 k( 103) = ( 0.1200000 0.1200000 0.0000000), wk = 0.0033113 k( 104) = ( 0.1133333 0.1133333 -0.0000000), wk = 0.0033113 k( 105) = ( 0.1066667 0.1066667 0.0000000), wk = 0.0033113 k( 106) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0033113 k( 107) = ( 0.0933333 0.0933333 -0.0000000), wk = 0.0033113 k( 108) = ( 0.0866667 0.0866667 0.0000000), wk = 0.0033113 k( 109) = ( 0.0800000 0.0800000 0.0000000), wk = 0.0033113 k( 110) = ( 0.0733333 0.0733333 -0.0000000), wk = 0.0033113 k( 111) = ( 0.0666667 0.0666667 -0.0000000), wk = 0.0033113 k( 112) = ( 0.0600000 0.0600000 0.0000000), wk = 0.0033113 k( 113) = ( 0.0533333 0.0533333 0.0000000), wk = 0.0033113 k( 114) = ( 0.0466667 0.0466667 0.0000000), wk = 0.0033113 k( 115) = ( 0.0400000 0.0400000 0.0000000), wk = 0.0033113 k( 116) = ( 0.0333333 0.0333333 0.0000000), wk = 0.0033113 k( 117) = ( 0.0266667 0.0266667 -0.0000000), wk = 0.0033113 k( 118) = ( 0.0200000 0.0200000 0.0000000), wk = 0.0033113 k( 119) = ( 0.0133333 0.0133333 -0.0000000), wk = 0.0033113 k( 120) = ( 0.0066667 0.0066667 -0.0000000), wk = 0.0033113 k( 121) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033113 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033113 k( 123) = ( 0.0000000 0.0000000 0.0263158), wk = 0.0033113 k( 124) = ( 0.0000000 0.0000000 0.0526316), wk = 0.0033113 k( 125) = ( 0.0000000 0.0000000 0.0789474), wk = 0.0033113 k( 126) = ( 0.0000000 0.0000000 0.1052632), wk = 0.0033113 k( 127) = ( 0.0000000 0.0000000 0.1315790), wk = 0.0033113 k( 128) = ( 0.0000000 0.0000000 0.1578947), wk = 0.0033113 k( 129) = ( 0.0000000 0.0000000 0.1842105), wk = 0.0033113 k( 130) = ( 0.0000000 0.0000000 0.2105263), wk = 0.0033113 k( 131) = ( 0.0000000 0.0000000 0.2368421), wk = 0.0033113 k( 132) = ( 0.0000000 0.0000000 0.2631579), wk = 0.0033113 k( 133) = ( 0.0000000 0.0000000 0.2894737), wk = 0.0033113 k( 134) = ( 0.0000000 0.0000000 0.3157895), wk = 0.0033113 k( 135) = ( 0.0000000 0.0000000 0.3421053), wk = 0.0033113 k( 136) = ( 0.0000000 0.0000000 0.3684211), wk = 0.0033113 k( 137) = ( 0.0000000 0.0000000 0.3947368), wk = 0.0033113 k( 138) = ( 0.0000000 0.0000000 0.4210526), wk = 0.0033113 k( 139) = ( 0.0000000 0.0000000 0.4473684), wk = 0.0033113 k( 140) = ( 0.0000000 0.0000000 0.4736842), wk = 0.0033113 k( 141) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033113 k( 142) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033113 k( 143) = ( 0.0116279 0.0000000 0.5000000), wk = 0.0033113 k( 144) = ( 0.0232558 0.0000000 0.5000000), wk = 0.0033113 k( 145) = ( 0.0348837 0.0000000 0.5000000), wk = 0.0033113 k( 146) = ( 0.0465116 0.0000000 0.5000000), wk = 0.0033113 k( 147) = ( 0.0581395 -0.0000000 0.5000000), wk = 0.0033113 k( 148) = ( 0.0697674 0.0000000 0.5000000), wk = 0.0033113 k( 149) = ( 0.0813954 -0.0000000 0.5000000), wk = 0.0033113 k( 150) = ( 0.0930233 0.0000000 0.5000000), wk = 0.0033113 k( 151) = ( 0.1046512 -0.0000000 0.5000000), wk = 0.0033113 k( 152) = ( 0.1162791 -0.0000000 0.5000000), wk = 0.0033113 k( 153) = ( 0.1279070 0.0000000 0.5000000), wk = 0.0033113 k( 154) = ( 0.1395349 0.0000000 0.5000000), wk = 0.0033113 k( 155) = ( 0.1511628 -0.0000000 0.5000000), wk = 0.0033113 k( 156) = ( 0.1627907 -0.0000000 0.5000000), wk = 0.0033113 k( 157) = ( 0.1744186 -0.0000000 0.5000000), wk = 0.0033113 k( 158) = ( 0.1860465 0.0000000 0.5000000), wk = 0.0033113 k( 159) = ( 0.1976744 -0.0000000 0.5000000), wk = 0.0033113 k( 160) = ( 0.2093023 -0.0000000 0.5000000), wk = 0.0033113 k( 161) = ( 0.2209302 0.0000000 0.5000000), wk = 0.0033113 k( 162) = ( 0.2325581 -0.0000000 0.5000000), wk = 0.0033113 k( 163) = ( 0.2441860 -0.0000000 0.5000000), wk = 0.0033113 k( 164) = ( 0.2558140 0.0000000 0.5000000), wk = 0.0033113 k( 165) = ( 0.2674419 0.0000000 0.5000000), wk = 0.0033113 k( 166) = ( 0.2790698 0.0000000 0.5000000), wk = 0.0033113 k( 167) = ( 0.2906977 0.0000000 0.5000000), wk = 0.0033113 k( 168) = ( 0.3023256 -0.0000000 0.5000000), wk = 0.0033113 k( 169) = ( 0.3139535 0.0000000 0.5000000), wk = 0.0033113 k( 170) = ( 0.3255814 -0.0000000 0.5000000), wk = 0.0033113 k( 171) = ( 0.3372093 0.0000000 0.5000000), wk = 0.0033113 k( 172) = ( 0.3488372 -0.0000000 0.5000000), wk = 0.0033113 k( 173) = ( 0.3604651 0.0000000 0.5000000), wk = 0.0033113 k( 174) = ( 0.3720930 0.0000000 0.5000000), wk = 0.0033113 k( 175) = ( 0.3837209 0.0000000 0.5000000), wk = 0.0033113 k( 176) = ( 0.3953488 -0.0000000 0.5000000), wk = 0.0033113 k( 177) = ( 0.4069767 -0.0000000 0.5000000), wk = 0.0033113 k( 178) = ( 0.4186047 -0.0000000 0.5000000), wk = 0.0033113 k( 179) = ( 0.4302326 -0.0000000 0.5000000), wk = 0.0033113 k( 180) = ( 0.4418605 -0.0000000 0.5000000), wk = 0.0033113 k( 181) = ( 0.4534884 -0.0000000 0.5000000), wk = 0.0033113 k( 182) = ( 0.4651163 -0.0000000 0.5000000), wk = 0.0033113 k( 183) = ( 0.4767442 0.0000000 0.5000000), wk = 0.0033113 k( 184) = ( 0.4883721 0.0000000 0.5000000), wk = 0.0033113 k( 185) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0033113 k( 186) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0033113 k( 187) = ( 0.4933333 0.0133333 0.5000000), wk = 0.0033113 k( 188) = ( 0.4866667 0.0266667 0.5000000), wk = 0.0033113 k( 189) = ( 0.4800000 0.0400000 0.5000000), wk = 0.0033113 k( 190) = ( 0.4733333 0.0533333 0.5000000), wk = 0.0033113 k( 191) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0033113 k( 192) = ( 0.4600000 0.0800000 0.5000000), wk = 0.0033113 k( 193) = ( 0.4533333 0.0933333 0.5000000), wk = 0.0033113 k( 194) = ( 0.4466667 0.1066667 0.5000000), wk = 0.0033113 k( 195) = ( 0.4400000 0.1200000 0.5000000), wk = 0.0033113 k( 196) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0033113 k( 197) = ( 0.4266667 0.1466667 0.5000000), wk = 0.0033113 k( 198) = ( 0.4200000 0.1600000 0.5000000), wk = 0.0033113 k( 199) = ( 0.4133333 0.1733333 0.5000000), wk = 0.0033113 k( 200) = ( 0.4066667 0.1866667 0.5000000), wk = 0.0033113 k( 201) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0033113 k( 202) = ( 0.3933333 0.2133333 0.5000000), wk = 0.0033113 k( 203) = ( 0.3866667 0.2266667 0.5000000), wk = 0.0033113 k( 204) = ( 0.3800000 0.2400000 0.5000000), wk = 0.0033113 k( 205) = ( 0.3733333 0.2533333 0.5000000), wk = 0.0033113 k( 206) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0033113 k( 207) = ( 0.3600000 0.2800000 0.5000000), wk = 0.0033113 k( 208) = ( 0.3533333 0.2933333 0.5000000), wk = 0.0033113 k( 209) = ( 0.3466667 0.3066667 0.5000000), wk = 0.0033113 k( 210) = ( 0.3400000 0.3200000 0.5000000), wk = 0.0033113 k( 211) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033113 k( 212) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033113 k( 213) = ( 0.3266667 0.3266667 0.5000000), wk = 0.0033113 k( 214) = ( 0.3200000 0.3200000 0.5000000), wk = 0.0033113 k( 215) = ( 0.3133333 0.3133333 0.5000000), wk = 0.0033113 k( 216) = ( 0.3066667 0.3066667 0.5000000), wk = 0.0033113 k( 217) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0033113 k( 218) = ( 0.2933333 0.2933333 0.5000000), wk = 0.0033113 k( 219) = ( 0.2866667 0.2866667 0.5000000), wk = 0.0033113 k( 220) = ( 0.2800000 0.2800000 0.5000000), wk = 0.0033113 k( 221) = ( 0.2733333 0.2733333 0.5000000), wk = 0.0033113 k( 222) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0033113 k( 223) = ( 0.2600000 0.2600000 0.5000000), wk = 0.0033113 k( 224) = ( 0.2533333 0.2533333 0.5000000), wk = 0.0033113 k( 225) = ( 0.2466667 0.2466667 0.5000000), wk = 0.0033113 k( 226) = ( 0.2400000 0.2400000 0.5000000), wk = 0.0033113 k( 227) = ( 0.2333333 0.2333333 0.5000000), wk = 0.0033113 k( 228) = ( 0.2266667 0.2266667 0.5000000), wk = 0.0033113 k( 229) = ( 0.2200000 0.2200000 0.5000000), wk = 0.0033113 k( 230) = ( 0.2133333 0.2133333 0.5000000), wk = 0.0033113 k( 231) = ( 0.2066667 0.2066667 0.5000000), wk = 0.0033113 k( 232) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0033113 k( 233) = ( 0.1933333 0.1933333 0.5000000), wk = 0.0033113 k( 234) = ( 0.1866667 0.1866667 0.5000000), wk = 0.0033113 k( 235) = ( 0.1800000 0.1800000 0.5000000), wk = 0.0033113 k( 236) = ( 0.1733333 0.1733333 0.5000000), wk = 0.0033113 k( 237) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0033113 k( 238) = ( 0.1600000 0.1600000 0.5000000), wk = 0.0033113 k( 239) = ( 0.1533333 0.1533333 0.5000000), wk = 0.0033113 k( 240) = ( 0.1466667 0.1466667 0.5000000), wk = 0.0033113 k( 241) = ( 0.1400000 0.1400000 0.5000000), wk = 0.0033113 k( 242) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0033113 k( 243) = ( 0.1266667 0.1266667 0.5000000), wk = 0.0033113 k( 244) = ( 0.1200000 0.1200000 0.5000000), wk = 0.0033113 k( 245) = ( 0.1133333 0.1133333 0.5000000), wk = 0.0033113 k( 246) = ( 0.1066667 0.1066667 0.5000000), wk = 0.0033113 k( 247) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0033113 k( 248) = ( 0.0933333 0.0933333 0.5000000), wk = 0.0033113 k( 249) = ( 0.0866667 0.0866667 0.5000000), wk = 0.0033113 k( 250) = ( 0.0800000 0.0800000 0.5000000), wk = 0.0033113 k( 251) = ( 0.0733333 0.0733333 0.5000000), wk = 0.0033113 k( 252) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0033113 k( 253) = ( 0.0600000 0.0600000 0.5000000), wk = 0.0033113 k( 254) = ( 0.0533333 0.0533333 0.5000000), wk = 0.0033113 k( 255) = ( 0.0466667 0.0466667 0.5000000), wk = 0.0033113 k( 256) = ( 0.0400000 0.0400000 0.5000000), wk = 0.0033113 k( 257) = ( 0.0333333 0.0333333 0.5000000), wk = 0.0033113 k( 258) = ( 0.0266667 0.0266667 0.5000000), wk = 0.0033113 k( 259) = ( 0.0200000 0.0200000 0.5000000), wk = 0.0033113 k( 260) = ( 0.0133333 0.0133333 0.5000000), wk = 0.0033113 k( 261) = ( 0.0066667 0.0066667 0.5000000), wk = 0.0033113 k( 262) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033113 k( 263) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0033113 k( 264) = ( 0.5000000 -0.0000000 0.4736842), wk = 0.0033113 k( 265) = ( 0.5000000 -0.0000000 0.4473684), wk = 0.0033113 k( 266) = ( 0.5000000 -0.0000000 0.4210526), wk = 0.0033113 k( 267) = ( 0.5000000 -0.0000000 0.3947368), wk = 0.0033113 k( 268) = ( 0.5000000 -0.0000000 0.3684211), wk = 0.0033113 k( 269) = ( 0.5000000 -0.0000000 0.3421053), wk = 0.0033113 k( 270) = ( 0.5000000 -0.0000000 0.3157895), wk = 0.0033113 k( 271) = ( 0.5000000 -0.0000000 0.2894737), wk = 0.0033113 k( 272) = ( 0.5000000 -0.0000000 0.2631579), wk = 0.0033113 k( 273) = ( 0.5000000 -0.0000000 0.2368421), wk = 0.0033113 k( 274) = ( 0.5000000 -0.0000000 0.2105263), wk = 0.0033113 k( 275) = ( 0.5000000 -0.0000000 0.1842105), wk = 0.0033113 k( 276) = ( 0.5000000 -0.0000000 0.1578947), wk = 0.0033113 k( 277) = ( 0.5000000 -0.0000000 0.1315790), wk = 0.0033113 k( 278) = ( 0.5000000 -0.0000000 0.1052632), wk = 0.0033113 k( 279) = ( 0.5000000 -0.0000000 0.0789474), wk = 0.0033113 k( 280) = ( 0.5000000 -0.0000000 0.0526316), wk = 0.0033113 k( 281) = ( 0.5000000 -0.0000000 0.0263158), wk = 0.0033113 k( 282) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0033113 k( 283) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0033113 k( 284) = ( 0.3333333 0.3333333 0.0263158), wk = 0.0033113 k( 285) = ( 0.3333333 0.3333333 0.0526316), wk = 0.0033113 k( 286) = ( 0.3333333 0.3333333 0.0789474), wk = 0.0033113 k( 287) = ( 0.3333333 0.3333333 0.1052632), wk = 0.0033113 k( 288) = ( 0.3333333 0.3333333 0.1315790), wk = 0.0033113 k( 289) = ( 0.3333333 0.3333333 0.1578947), wk = 0.0033113 k( 290) = ( 0.3333333 0.3333333 0.1842105), wk = 0.0033113 k( 291) = ( 0.3333333 0.3333333 0.2105263), wk = 0.0033113 k( 292) = ( 0.3333333 0.3333333 0.2368421), wk = 0.0033113 k( 293) = ( 0.3333333 0.3333333 0.2631579), wk = 0.0033113 k( 294) = ( 0.3333333 0.3333333 0.2894737), wk = 0.0033113 k( 295) = ( 0.3333333 0.3333333 0.3157895), wk = 0.0033113 k( 296) = ( 0.3333333 0.3333333 0.3421053), wk = 0.0033113 k( 297) = ( 0.3333333 0.3333333 0.3684211), wk = 0.0033113 k( 298) = ( 0.3333333 0.3333333 0.3947368), wk = 0.0033113 k( 299) = ( 0.3333333 0.3333333 0.4210526), wk = 0.0033113 k( 300) = ( 0.3333333 0.3333333 0.4473684), wk = 0.0033113 k( 301) = ( 0.3333333 0.3333333 0.4736842), wk = 0.0033113 k( 302) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033113 Dense grid: 45535 G-vectors FFT dimensions: ( 40, 40, 75) Smooth grid: 38055 G-vectors FFT dimensions: ( 36, 36, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.15 Mb ( 204, 48) NL pseudopotentials 0.21 Mb ( 102, 136) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 956) G-vector shells 0.00 Mb ( 470) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.60 Mb ( 204, 192) Each subspace H/S matrix 0.56 Mb ( 192, 192) Each matrix 0.20 Mb ( 136, 2, 48) The potential is recalculated from file : ./PbS.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 43.5 secs Computing kpt #: 2 total cpu time spent up to now is 45.5 secs Computing kpt #: 3 total cpu time spent up to now is 46.9 secs Computing kpt #: 4 total cpu time spent up to now is 48.5 secs Computing kpt #: 5 total cpu time spent up to now is 50.0 secs Computing kpt #: 6 total cpu time spent up to now is 51.9 secs Computing kpt #: 7 total cpu time spent up to now is 53.7 secs Computing kpt #: 8 total cpu time spent up to now is 55.4 secs Computing kpt #: 9 total cpu time spent up to now is 57.0 secs Computing kpt #: 10 total cpu time spent up to now is 58.5 secs Computing kpt #: 11 total cpu time spent up to now is 60.1 secs Computing kpt #: 12 total cpu time spent up to now is 61.5 secs Computing kpt #: 13 total cpu time spent up to now is 63.0 secs Computing kpt #: 14 total cpu time spent up to now is 64.7 secs Computing kpt #: 15 total cpu time spent up to now is 67.8 secs Computing kpt #: 16 total cpu time spent up to now is 69.8 secs Computing kpt #: 17 total cpu time spent up to now is 72.1 secs Computing kpt #: 18 total cpu time spent up to now is 75.3 secs Computing kpt #: 19 total cpu time spent up to now is 77.1 secs Computing kpt #: 20 total cpu time spent up to now is 79.5 secs Computing kpt #: 21 total cpu time spent up to now is 82.1 secs Computing kpt #: 22 total cpu time spent up to now is 84.6 secs Computing kpt #: 23 total cpu time spent up to now is 86.3 secs Computing kpt #: 24 total cpu time spent up to now is 88.6 secs Computing kpt #: 25 total cpu time spent up to now is 90.8 secs Computing kpt #: 26 total cpu time spent up to now is 94.5 secs Computing kpt #: 27 total cpu time spent up to now is 97.7 secs Computing kpt #: 28 total cpu time spent up to now is 100.2 secs Computing kpt #: 29 total cpu time spent up to now is 103.4 secs Computing kpt #: 30 total cpu time spent up to now is 105.8 secs Computing kpt #: 31 total cpu time spent up to now is 109.1 secs Computing kpt #: 32 total cpu time spent up to now is 111.0 secs Computing kpt #: 33 total cpu time spent up to now is 112.4 secs Computing kpt #: 34 total cpu time spent up to now is 113.9 secs Computing kpt #: 35 total cpu time spent up to now is 115.3 secs Computing kpt #: 36 total cpu time spent up to now is 116.8 secs Computing kpt #: 37 total cpu time spent up to now is 118.3 secs Computing kpt #: 38 total cpu time spent up to now is 119.8 secs Computing kpt #: 39 total cpu time spent up to now is 122.1 secs Computing kpt #: 40 total cpu time spent up to now is 123.5 secs Computing kpt #: 41 total cpu time spent up to now is 125.0 secs Computing kpt #: 42 total cpu time spent up to now is 126.6 secs Computing kpt #: 43 total cpu time spent up to now is 128.4 secs Computing kpt #: 44 total cpu time spent up to now is 129.9 secs Computing kpt #: 45 total cpu time spent up to now is 131.3 secs Computing kpt #: 46 total cpu time spent up to now is 132.7 secs Computing kpt #: 47 total cpu time spent up to now is 134.1 secs Computing kpt #: 48 total cpu time spent up to now is 135.7 secs Computing kpt #: 49 total cpu time spent up to now is 137.6 secs Computing kpt #: 50 total cpu time spent up to now is 139.0 secs Computing kpt #: 51 total cpu time spent up to now is 140.4 secs Computing kpt #: 52 total cpu time spent up to now is 141.8 secs Computing kpt #: 53 total cpu time spent up to now is 143.2 secs Computing kpt #: 54 total cpu time spent up to now is 146.7 secs Computing kpt #: 55 total cpu time spent up to now is 148.2 secs Computing kpt #: 56 total cpu time spent up to now is 149.6 secs Computing kpt #: 57 total cpu time spent up to now is 151.0 secs Computing kpt #: 58 total cpu time spent up to now is 152.5 secs Computing kpt #: 59 total cpu time spent up to now is 154.4 secs Computing kpt #: 60 total cpu time spent up to now is 155.8 secs Computing kpt #: 61 total cpu time spent up to now is 158.4 secs Computing kpt #: 62 total cpu time spent up to now is 160.2 secs Computing kpt #: 63 total cpu time spent up to now is 162.2 secs Computing kpt #: 64 total cpu time spent up to now is 163.6 secs Computing kpt #: 65 total cpu time spent up to now is 165.0 secs Computing kpt #: 66 total cpu time spent up to now is 166.5 secs Computing kpt #: 67 total cpu time spent up to now is 167.9 secs Computing kpt #: 68 total cpu time spent up to now is 169.4 secs Computing kpt #: 69 total cpu time spent up to now is 171.3 secs Computing kpt #: 70 total cpu time spent up to now is 172.7 secs Computing kpt #: 71 total cpu time spent up to now is 174.0 secs Computing kpt #: 72 total cpu time spent up to now is 176.7 secs Computing kpt #: 73 total cpu time spent up to now is 179.9 secs Computing kpt #: 74 total cpu time spent up to now is 181.7 secs Computing kpt #: 75 total cpu time spent up to now is 184.9 secs Computing kpt #: 76 total cpu time spent up to now is 186.6 secs Computing kpt #: 77 total cpu time spent up to now is 187.9 secs Computing kpt #: 78 total cpu time spent up to now is 189.3 secs Computing kpt #: 79 total cpu time spent up to now is 192.3 secs Computing kpt #: 80 total cpu time spent up to now is 194.8 secs Computing kpt #: 81 total cpu time spent up to now is 196.2 secs Computing kpt #: 82 total cpu time spent up to now is 197.6 secs Computing kpt #: 83 total cpu time spent up to now is 199.1 secs Computing kpt #: 84 total cpu time spent up to now is 201.5 secs Computing kpt #: 85 total cpu time spent up to now is 203.0 secs Computing kpt #: 86 total cpu time spent up to now is 204.3 secs Computing kpt #: 87 total cpu time spent up to now is 205.7 secs Computing kpt #: 88 total cpu time spent up to now is 207.3 secs Computing kpt #: 89 total cpu time spent up to now is 209.4 secs Computing kpt #: 90 total cpu time spent up to now is 211.5 secs Computing kpt #: 91 total cpu time spent up to now is 213.1 secs Computing kpt #: 92 total cpu time spent up to now is 214.9 secs Computing kpt #: 93 total cpu time spent up to now is 216.9 secs Computing kpt #: 94 total cpu time spent up to now is 219.6 secs Computing kpt #: 95 total cpu time spent up to now is 221.3 secs Computing kpt #: 96 total cpu time spent up to now is 222.7 secs Computing kpt #: 97 total cpu time spent up to now is 224.2 secs Computing kpt #: 98 total cpu time spent up to now is 225.7 secs Computing kpt #: 99 total cpu time spent up to now is 227.5 secs Computing kpt #: 100 total cpu time spent up to now is 229.2 secs Computing kpt #: 101 total cpu time spent up to now is 231.9 secs Computing kpt #: 102 total cpu time spent up to now is 233.8 secs Computing kpt #: 103 total cpu time spent up to now is 236.6 secs Computing kpt #: 104 total cpu time spent up to now is 240.6 secs Computing kpt #: 105 total cpu time spent up to now is 242.7 secs Computing kpt #: 106 total cpu time spent up to now is 245.3 secs Computing kpt #: 107 total cpu time spent up to now is 246.7 secs Computing kpt #: 108 total cpu time spent up to now is 248.1 secs Computing kpt #: 109 total cpu time spent up to now is 249.8 secs Computing kpt #: 110 total cpu time spent up to now is 251.8 secs Computing kpt #: 111 total cpu time spent up to now is 253.6 secs Computing kpt #: 112 total cpu time spent up to now is 255.2 secs Computing kpt #: 113 total cpu time spent up to now is 256.7 secs Computing kpt #: 114 total cpu time spent up to now is 258.1 secs Computing kpt #: 115 total cpu time spent up to now is 259.6 secs Computing kpt #: 116 total cpu time spent up to now is 261.1 secs Computing kpt #: 117 total cpu time spent up to now is 262.5 secs Computing kpt #: 118 total cpu time spent up to now is 264.8 secs Computing kpt #: 119 total cpu time spent up to now is 266.7 secs Computing kpt #: 120 total cpu time spent up to now is 268.8 secs Computing kpt #: 121 total cpu time spent up to now is 270.8 secs Computing kpt #: 122 total cpu time spent up to now is 272.4 secs Computing kpt #: 123 total cpu time spent up to now is 273.9 secs Computing kpt #: 124 total cpu time spent up to now is 275.5 secs Computing kpt #: 125 total cpu time spent up to now is 277.5 secs Computing kpt #: 126 total cpu time spent up to now is 279.0 secs Computing kpt #: 127 total cpu time spent up to now is 280.6 secs Computing kpt #: 128 total cpu time spent up to now is 282.2 secs Computing kpt #: 129 total cpu time spent up to now is 283.8 secs Computing kpt #: 130 total cpu time spent up to now is 285.1 secs Computing kpt #: 131 total cpu time spent up to now is 286.5 secs Computing kpt #: 132 total cpu time spent up to now is 287.8 secs Computing kpt #: 133 total cpu time spent up to now is 289.2 secs Computing kpt #: 134 total cpu time spent up to now is 291.1 secs Computing kpt #: 135 total cpu time spent up to now is 292.6 secs Computing kpt #: 136 total cpu time spent up to now is 293.9 secs Computing kpt #: 137 total cpu time spent up to now is 295.1 secs Computing kpt #: 138 total cpu time spent up to now is 296.4 secs Computing kpt #: 139 total cpu time spent up to now is 297.8 secs Computing kpt #: 140 total cpu time spent up to now is 301.5 secs Computing kpt #: 141 total cpu time spent up to now is 303.0 secs Computing kpt #: 142 total cpu time spent up to now is 305.0 secs Computing kpt #: 143 total cpu time spent up to now is 306.2 secs Computing kpt #: 144 total cpu time spent up to now is 307.4 secs Computing kpt #: 145 total cpu time spent up to now is 309.0 secs Computing kpt #: 146 total cpu time spent up to now is 310.3 secs Computing kpt #: 147 total cpu time spent up to now is 311.8 secs Computing kpt #: 148 total cpu time spent up to now is 313.4 secs Computing kpt #: 149 total cpu time spent up to now is 315.0 secs Computing kpt #: 150 total cpu time spent up to now is 316.7 secs Computing kpt #: 151 total cpu time spent up to now is 318.4 secs Computing kpt #: 152 total cpu time spent up to now is 320.2 secs Computing kpt #: 153 total cpu time spent up to now is 321.6 secs Computing kpt #: 154 total cpu time spent up to now is 323.0 secs Computing kpt #: 155 total cpu time spent up to now is 324.4 secs Computing kpt #: 156 total cpu time spent up to now is 325.8 secs Computing kpt #: 157 total cpu time spent up to now is 327.2 secs Computing kpt #: 158 total cpu time spent up to now is 329.0 secs Computing kpt #: 159 total cpu time spent up to now is 331.3 secs Computing kpt #: 160 total cpu time spent up to now is 334.4 secs Computing kpt #: 161 total cpu time spent up to now is 336.1 secs Computing kpt #: 162 total cpu time spent up to now is 337.6 secs Computing kpt #: 163 total cpu time spent up to now is 339.5 secs Computing kpt #: 164 total cpu time spent up to now is 341.7 secs Computing kpt #: 165 total cpu time spent up to now is 343.7 secs Computing kpt #: 166 total cpu time spent up to now is 345.1 secs Computing kpt #: 167 total cpu time spent up to now is 346.4 secs Computing kpt #: 168 total cpu time spent up to now is 348.5 secs Computing kpt #: 169 total cpu time spent up to now is 350.6 secs Computing kpt #: 170 total cpu time spent up to now is 352.5 secs Computing kpt #: 171 total cpu time spent up to now is 354.0 secs Computing kpt #: 172 total cpu time spent up to now is 355.4 secs Computing kpt #: 173 total cpu time spent up to now is 356.8 secs Computing kpt #: 174 total cpu time spent up to now is 359.2 secs Computing kpt #: 175 total cpu time spent up to now is 360.7 secs Computing kpt #: 176 total cpu time spent up to now is 362.4 secs Computing kpt #: 177 total cpu time spent up to now is 364.3 secs Computing kpt #: 178 total cpu time spent up to now is 365.9 secs Computing kpt #: 179 total cpu time spent up to now is 368.0 secs Computing kpt #: 180 total cpu time spent up to now is 369.6 secs Computing kpt #: 181 total cpu time spent up to now is 371.0 secs Computing kpt #: 182 total cpu time spent up to now is 372.4 secs Computing kpt #: 183 total cpu time spent up to now is 373.8 secs Computing kpt #: 184 total cpu time spent up to now is 375.6 secs Computing kpt #: 185 total cpu time spent up to now is 377.1 secs Computing kpt #: 186 total cpu time spent up to now is 378.8 secs Computing kpt #: 187 total cpu time spent up to now is 380.8 secs Computing kpt #: 188 total cpu time spent up to now is 383.5 secs Computing kpt #: 189 total cpu time spent up to now is 384.9 secs Computing kpt #: 190 total cpu time spent up to now is 386.3 secs Computing kpt #: 191 total cpu time spent up to now is 387.7 secs Computing kpt #: 192 total cpu time spent up to now is 389.2 secs Computing kpt #: 193 total cpu time spent up to now is 392.0 secs Computing kpt #: 194 total cpu time spent up to now is 394.0 secs Computing kpt #: 195 total cpu time spent up to now is 396.3 secs Computing kpt #: 196 total cpu time spent up to now is 398.5 secs Computing kpt #: 197 total cpu time spent up to now is 400.2 secs Computing kpt #: 198 total cpu time spent up to now is 401.6 secs Computing kpt #: 199 total cpu time spent up to now is 403.5 secs Computing kpt #: 200 total cpu time spent up to now is 405.3 secs Computing kpt #: 201 total cpu time spent up to now is 407.2 secs Computing kpt #: 202 total cpu time spent up to now is 409.1 secs Computing kpt #: 203 total cpu time spent up to now is 410.5 secs Computing kpt #: 204 total cpu time spent up to now is 411.8 secs Computing kpt #: 205 total cpu time spent up to now is 413.2 secs Computing kpt #: 206 total cpu time spent up to now is 414.6 secs Computing kpt #: 207 total cpu time spent up to now is 416.7 secs Computing kpt #: 208 total cpu time spent up to now is 420.2 secs Computing kpt #: 209 total cpu time spent up to now is 421.7 secs Computing kpt #: 210 total cpu time spent up to now is 423.0 secs Computing kpt #: 211 total cpu time spent up to now is 424.4 secs Computing kpt #: 212 total cpu time spent up to now is 425.8 secs Computing kpt #: 213 total cpu time spent up to now is 427.1 secs Computing kpt #: 214 total cpu time spent up to now is 429.0 secs Computing kpt #: 215 total cpu time spent up to now is 431.2 secs Computing kpt #: 216 total cpu time spent up to now is 432.6 secs Computing kpt #: 217 total cpu time spent up to now is 434.0 secs Computing kpt #: 218 total cpu time spent up to now is 435.4 secs Computing kpt #: 219 total cpu time spent up to now is 437.4 secs Computing kpt #: 220 total cpu time spent up to now is 439.6 secs Computing kpt #: 221 total cpu time spent up to now is 441.0 secs Computing kpt #: 222 total cpu time spent up to now is 442.4 secs Computing kpt #: 223 total cpu time spent up to now is 443.8 secs Computing kpt #: 224 total cpu time spent up to now is 446.4 secs Computing kpt #: 225 total cpu time spent up to now is 448.8 secs Computing kpt #: 226 total cpu time spent up to now is 450.7 secs Computing kpt #: 227 total cpu time spent up to now is 452.6 secs Computing kpt #: 228 total cpu time spent up to now is 454.1 secs Computing kpt #: 229 total cpu time spent up to now is 455.5 secs Computing kpt #: 230 total cpu time spent up to now is 456.9 secs Computing kpt #: 231 total cpu time spent up to now is 458.6 secs Computing kpt #: 232 total cpu time spent up to now is 460.3 secs Computing kpt #: 233 total cpu time spent up to now is 463.6 secs Computing kpt #: 234 total cpu time spent up to now is 466.2 secs Computing kpt #: 235 total cpu time spent up to now is 467.8 secs Computing kpt #: 236 total cpu time spent up to now is 469.2 secs Computing kpt #: 237 total cpu time spent up to now is 470.6 secs Computing kpt #: 238 total cpu time spent up to now is 472.0 secs Computing kpt #: 239 total cpu time spent up to now is 473.7 secs Computing kpt #: 240 total cpu time spent up to now is 475.4 secs Computing kpt #: 241 total cpu time spent up to now is 478.1 secs Computing kpt #: 242 total cpu time spent up to now is 479.6 secs Computing kpt #: 243 total cpu time spent up to now is 481.0 secs Computing kpt #: 244 total cpu time spent up to now is 482.5 secs Computing kpt #: 245 total cpu time spent up to now is 483.9 secs Computing kpt #: 246 total cpu time spent up to now is 485.3 secs Computing kpt #: 247 total cpu time spent up to now is 487.6 secs Computing kpt #: 248 total cpu time spent up to now is 489.9 secs Computing kpt #: 249 total cpu time spent up to now is 491.5 secs Computing kpt #: 250 total cpu time spent up to now is 493.3 secs Computing kpt #: 251 total cpu time spent up to now is 495.1 secs Computing kpt #: 252 total cpu time spent up to now is 497.2 secs Computing kpt #: 253 total cpu time spent up to now is 498.6 secs Computing kpt #: 254 total cpu time spent up to now is 500.0 secs Computing kpt #: 255 total cpu time spent up to now is 501.4 secs Computing kpt #: 256 total cpu time spent up to now is 503.4 secs Computing kpt #: 257 total cpu time spent up to now is 505.1 secs Computing kpt #: 258 total cpu time spent up to now is 506.7 secs Computing kpt #: 259 total cpu time spent up to now is 507.9 secs Computing kpt #: 260 total cpu time spent up to now is 509.3 secs Computing kpt #: 261 total cpu time spent up to now is 510.7 secs Computing kpt #: 262 total cpu time spent up to now is 512.6 secs Computing kpt #: 263 total cpu time spent up to now is 514.3 secs Computing kpt #: 264 total cpu time spent up to now is 515.7 secs Computing kpt #: 265 total cpu time spent up to now is 517.1 secs Computing kpt #: 266 total cpu time spent up to now is 518.6 secs Computing kpt #: 267 total cpu time spent up to now is 520.2 secs Computing kpt #: 268 total cpu time spent up to now is 522.5 secs Computing kpt #: 269 total cpu time spent up to now is 525.5 secs Computing kpt #: 270 total cpu time spent up to now is 527.8 secs Computing kpt #: 271 total cpu time spent up to now is 529.3 secs Computing kpt #: 272 total cpu time spent up to now is 531.0 secs Computing kpt #: 273 total cpu time spent up to now is 532.8 secs Computing kpt #: 274 total cpu time spent up to now is 534.6 secs Computing kpt #: 275 total cpu time spent up to now is 536.6 secs Computing kpt #: 276 total cpu time spent up to now is 538.0 secs Computing kpt #: 277 total cpu time spent up to now is 539.4 secs Computing kpt #: 278 total cpu time spent up to now is 541.5 secs Computing kpt #: 279 total cpu time spent up to now is 543.3 secs Computing kpt #: 280 total cpu time spent up to now is 545.9 secs Computing kpt #: 281 total cpu time spent up to now is 547.6 secs Computing kpt #: 282 total cpu time spent up to now is 549.0 secs Computing kpt #: 283 total cpu time spent up to now is 550.4 secs Computing kpt #: 284 total cpu time spent up to now is 551.8 secs Computing kpt #: 285 total cpu time spent up to now is 554.8 secs Computing kpt #: 286 total cpu time spent up to now is 556.8 secs Computing kpt #: 287 total cpu time spent up to now is 558.2 secs Computing kpt #: 288 total cpu time spent up to now is 559.7 secs Computing kpt #: 289 total cpu time spent up to now is 561.8 secs Computing kpt #: 290 total cpu time spent up to now is 563.9 secs Computing kpt #: 291 total cpu time spent up to now is 565.5 secs Computing kpt #: 292 total cpu time spent up to now is 567.2 secs Computing kpt #: 293 total cpu time spent up to now is 570.0 secs Computing kpt #: 294 total cpu time spent up to now is 572.0 secs Computing kpt #: 295 total cpu time spent up to now is 573.9 secs Computing kpt #: 296 total cpu time spent up to now is 575.3 secs Computing kpt #: 297 total cpu time spent up to now is 576.7 secs Computing kpt #: 298 total cpu time spent up to now is 578.1 secs Computing kpt #: 299 total cpu time spent up to now is 579.6 secs Computing kpt #: 300 total cpu time spent up to now is 581.0 secs Computing kpt #: 301 total cpu time spent up to now is 582.9 secs Computing kpt #: 302 total cpu time spent up to now is 585.5 secs ethr = 2.50E-11, avg # of iterations = 25.0 total cpu time spent up to now is 585.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4769 PWs) bands (ev): -12.2673 -12.2673 -12.2661 -12.2661 -12.2528 -12.2528 -12.2458 -12.2458 -9.7191 -9.7191 -9.7169 -9.7169 -9.6986 -9.6986 -9.6881 -9.6881 -9.6789 -9.6789 -9.6738 -9.6738 -6.8083 -6.8083 -6.3933 -6.3933 -1.9853 -1.9853 -0.7537 -0.7537 3.8216 3.8216 4.2202 4.2202 4.3680 4.3680 4.3728 4.3728 4.5075 4.5075 5.3076 5.3076 6.6985 6.6985 7.9985 7.9985 8.9096 8.9096 9.5655 9.5655 k = 0.0116 0.0067-0.0000 ( 4767 PWs) bands (ev): -12.2673 -12.2673 -12.2661 -12.2661 -12.2530 -12.2527 -12.2460 -12.2456 -9.7193 -9.7189 -9.7171 -9.7166 -9.6986 -9.6985 -9.6881 -9.6881 -9.6792 -9.6784 -9.6738 -9.6738 -6.8077 -6.8072 -6.3926 -6.3925 -1.9849 -1.9845 -0.7553 -0.7550 3.8135 3.8299 4.2045 4.2329 4.3416 4.3685 4.3733 4.3829 4.5010 4.5024 5.3154 5.3164 6.6605 6.7379 7.9802 8.0172 8.8824 8.9361 9.5260 9.6005 k = 0.0233 0.0134-0.0000 ( 4767 PWs) bands (ev): -12.2672 -12.2672 -12.2660 -12.2660 -12.2531 -12.2526 -12.2462 -12.2454 -9.7195 -9.7188 -9.7173 -9.7164 -9.6986 -9.6984 -9.6884 -9.6883 -9.6795 -9.6779 -9.6739 -9.6739 -6.8052 -6.8041 -6.3903 -6.3900 -1.9833 -1.9825 -0.7600 -0.7593 3.8056 3.8384 4.1861 4.2419 4.2992 4.3602 4.3718 4.3881 4.4819 4.4916 5.3367 5.3415 6.6247 6.7786 7.9620 8.0363 8.8549 8.9615 9.4813 9.6319 k = 0.0349 0.0201-0.0000 ( 4771 PWs) bands (ev): -12.2672 -12.2672 -12.2660 -12.2660 -12.2532 -12.2525 -12.2465 -12.2452 -9.7197 -9.7186 -9.7175 -9.7162 -9.6986 -9.6982 -9.6887 -9.6887 -9.6796 -9.6774 -9.6740 -9.6740 -6.8009 -6.7993 -6.3864 -6.3859 -1.9805 -1.9794 -0.7677 -0.7666 3.7978 3.8470 4.1641 4.2416 4.2462 4.3407 4.3681 4.3876 4.4581 4.4802 5.3661 5.3785 6.5922 6.8204 7.9438 8.0560 8.8276 8.9854 9.4313 9.6606 k = 0.0465 0.0269-0.0000 ( 4767 PWs) bands (ev): -12.2672 -12.2672 -12.2659 -12.2659 -12.2533 -12.2523 -12.2467 -12.2451 -9.7199 -9.7184 -9.7177 -9.7160 -9.6985 -9.6980 -9.6892 -9.6891 -9.6797 -9.6768 -9.6742 -9.6742 -6.7948 -6.7926 -6.3810 -6.3803 -1.9766 -1.9751 -0.7783 -0.7769 3.7900 3.8554 4.1327 4.1780 4.2445 4.3008 4.3626 4.3865 4.4398 4.4700 5.3985 5.4213 6.5646 6.8635 7.9252 8.0762 8.8009 9.0074 9.3763 9.6871 k = 0.0581 0.0336-0.0000 ( 4769 PWs) bands (ev): -12.2671 -12.2671 -12.2659 -12.2659 -12.2534 -12.2522 -12.2469 -12.2449 -9.7202 -9.7182 -9.7180 -9.7157 -9.6984 -9.6978 -9.6898 -9.6896 -9.6797 -9.6763 -9.6744 -9.6743 -6.7869 -6.7842 -6.3740 -6.3731 -1.9715 -1.9696 -0.7918 -0.7902 3.7821 3.8632 4.0690 4.1356 4.2248 4.2529 4.3555 4.3879 4.4284 4.4609 5.4294 5.4633 6.5443 6.9080 7.9060 8.0967 8.7752 9.0269 9.3177 9.7111 k = 0.0698 0.0403-0.0000 ( 4765 PWs) bands (ev): -12.2671 -12.2671 -12.2658 -12.2658 -12.2536 -12.2521 -12.2471 -12.2448 -9.7205 -9.7183 -9.7180 -9.7155 -9.6982 -9.6975 -9.6905 -9.6902 -9.6795 -9.6758 -9.6747 -9.6746 -6.7773 -6.7740 -6.3655 -6.3644 -1.9653 -1.9631 -0.8082 -0.8064 3.7739 3.8679 3.9854 4.1075 4.1577 4.2345 4.3473 4.3917 4.4200 4.4522 5.4556 5.4985 6.5336 6.9540 7.8862 8.1171 8.7510 9.0428 9.2577 9.7320 k = 0.0814 0.0470-0.0000 ( 4759 PWs) bands (ev): -12.2670 -12.2670 -12.2657 -12.2657 -12.2537 -12.2520 -12.2473 -12.2446 -9.7209 -9.7185 -9.7179 -9.7152 -9.6980 -9.6972 -9.6912 -9.6908 -9.6793 -9.6755 -9.6748 -9.6747 -6.7658 -6.7620 -6.3556 -6.3542 -1.9580 -1.9555 -0.8275 -0.8255 3.7648 3.8513 3.9155 4.0764 4.0811 4.2187 4.3384 4.3959 4.4136 4.4432 5.4748 5.5220 6.5350 7.0012 7.8660 8.1371 8.7285 9.0525 9.2005 9.7482 k = 0.0930 0.0537-0.0000 ( 4755 PWs) bands (ev): -12.2670 -12.2669 -12.2656 -12.2656 -12.2537 -12.2518 -12.2476 -12.2445 -9.7214 -9.7188 -9.7177 -9.7150 -9.6977 -9.6969 -9.6919 -9.6915 -9.6790 -9.6757 -9.6751 -9.6744 -6.7527 -6.7483 -6.3442 -6.3425 -1.9497 -1.9469 -0.8494 -0.8474 3.7541 3.7730 3.9031 3.9909 4.0545 4.2003 4.3294 4.3943 4.4135 4.4335 5.4854 5.5306 6.5497 7.0488 7.8457 8.1559 8.7083 9.0475 9.1563 9.7590 k = 0.1047 0.0604-0.0000 ( 4761 PWs) bands (ev): -12.2669 -12.2668 -12.2655 -12.2654 -12.2538 -12.2517 -12.2478 -12.2444 -9.7220 -9.7192 -9.7176 -9.7147 -9.6975 -9.6966 -9.6926 -9.6922 -9.6787 -9.6761 -9.6753 -9.6739 -6.7378 -6.7328 -6.3314 -6.3295 -1.9404 -1.9373 -0.8741 -0.8720 3.6761 3.7396 3.9056 3.9067 4.0272 4.1795 4.3207 4.3855 4.4205 4.4230 5.4867 5.5230 6.5774 7.0956 7.8262 8.1728 8.6905 9.0169 9.1380 9.7650 k = 0.1163 0.0671-0.0000 ( 4765 PWs) bands (ev): -12.2668 -12.2667 -12.2654 -12.2653 -12.2539 -12.2516 -12.2480 -12.2443 -9.7226 -9.7195 -9.7175 -9.7145 -9.6972 -9.6962 -9.6931 -9.6929 -9.6783 -9.6766 -9.6756 -9.6734 -6.7213 -6.7158 -6.3172 -6.3150 -1.9301 -1.9268 -0.9014 -0.8994 3.5759 3.7142 3.8290 3.9114 3.9992 4.1566 4.3131 4.3739 4.4116 4.4297 5.4784 5.5001 6.6163 7.1393 7.8092 8.1869 8.6755 8.9704 9.1381 9.7683 k = 0.1279 0.0738-0.0000 ( 4777 PWs) bands (ev): -12.2667 -12.2666 -12.2652 -12.2652 -12.2540 -12.2515 -12.2481 -12.2443 -9.7234 -9.7199 -9.7175 -9.7143 -9.6971 -9.6959 -9.6936 -9.6935 -9.6779 -9.6771 -9.6759 -9.6728 -6.7031 -6.6971 -6.3018 -6.2993 -1.9190 -1.9155 -0.9312 -0.9294 3.4752 3.6617 3.7780 3.9151 3.9707 4.1322 4.3070 4.3606 4.3991 4.4398 5.4608 5.4637 6.6631 7.1770 7.7968 8.1973 8.6635 8.9226 9.1440 9.7709 k = 0.1395 0.0806-0.0000 ( 4777 PWs) bands (ev): -12.2667 -12.2665 -12.2651 -12.2650 -12.2540 -12.2514 -12.2483 -12.2442 -9.7243 -9.7204 -9.7176 -9.7141 -9.6971 -9.6957 -9.6941 -9.6937 -9.6776 -9.6774 -9.6761 -9.6723 -6.6834 -6.6768 -6.2852 -6.2823 -1.9072 -1.9035 -0.9634 -0.9618 3.3750 3.5837 3.7518 3.9167 3.9417 4.1064 4.3030 4.3459 4.3857 4.4505 5.4166 5.4343 6.7144 7.2052 7.7916 8.2033 8.6548 8.8801 9.1512 9.7743 k = 0.1512 0.0873-0.0000 ( 4767 PWs) bands (ev): -12.2666 -12.2664 -12.2650 -12.2649 -12.2541 -12.2513 -12.2485 -12.2442 -9.7253 -9.7208 -9.7177 -9.7140 -9.6972 -9.6960 -9.6941 -9.6936 -9.6782 -9.6770 -9.6763 -9.6718 -6.6622 -6.6550 -6.2674 -6.2641 -1.8946 -1.8908 -0.9979 -0.9966 3.2759 3.4965 3.7345 3.9098 3.9181 4.0796 4.3016 4.3299 4.3713 4.4615 5.3612 5.3998 6.7665 7.2207 7.7960 8.2047 8.6496 8.8455 9.1584 9.7794 k = 0.1628 0.0940-0.0000 ( 4763 PWs) bands (ev): -12.2665 -12.2662 -12.2648 -12.2647 -12.2541 -12.2513 -12.2486 -12.2442 -9.7264 -9.7213 -9.7180 -9.7139 -9.6975 -9.6965 -9.6937 -9.6932 -9.6787 -9.6768 -9.6760 -9.6713 -6.6395 -6.6317 -6.2485 -6.2448 -1.8814 -1.8775 -1.0346 -1.0337 3.1784 3.4072 3.7191 3.8809 3.9134 4.0520 4.3031 4.3128 4.3561 4.4728 5.2998 5.3583 6.8162 7.2216 7.8109 8.2019 8.6480 8.8200 9.1655 9.7865 k = 0.1744 0.1007-0.0000 ( 4759 PWs) bands (ev): -12.2664 -12.2661 -12.2647 -12.2645 -12.2541 -12.2512 -12.2487 -12.2442 -9.7276 -9.7218 -9.7184 -9.7139 -9.6978 -9.6971 -9.6932 -9.6927 -9.6793 -9.6770 -9.6755 -9.6708 -6.6154 -6.6071 -6.2287 -6.2246 -1.8677 -1.8637 -1.0733 -1.0729 3.0831 3.3184 3.7036 3.8505 3.9067 4.0237 4.2948 4.3076 4.3403 4.4843 5.2345 5.3107 6.8606 7.2082 7.8353 8.1963 8.6501 8.8033 9.1724 9.7577 k = 0.1860 0.1074-0.0000 ( 4755 PWs) bands (ev): -12.2664 -12.2660 -12.2645 -12.2643 -12.2541 -12.2511 -12.2489 -12.2442 -9.7289 -9.7224 -9.7189 -9.7139 -9.6982 -9.6976 -9.6926 -9.6922 -9.6798 -9.6771 -9.6748 -9.6703 -6.5899 -6.5811 -6.2079 -6.2034 -1.8536 -1.8496 -1.1140 -1.1139 2.9903 3.2310 3.6871 3.8195 3.8969 3.9949 4.2759 4.3137 4.3253 4.4958 5.1669 5.2582 6.8975 7.1826 7.8664 8.1898 8.6560 8.7944 9.1793 9.7176 k = 0.1977 0.1141-0.0000 ( 4763 PWs) bands (ev): -12.2663 -12.2658 -12.2644 -12.2642 -12.2541 -12.2511 -12.2489 -12.2443 -9.7302 -9.7229 -9.7196 -9.7140 -9.6985 -9.6981 -9.6919 -9.6915 -9.6803 -9.6772 -9.6741 -9.6698 -6.5632 -6.5539 -6.1864 -6.1814 -1.8392 -1.8352 -1.1570 -1.1562 2.9002 3.1457 3.6691 3.7883 3.8840 3.9654 4.2564 4.3046 4.3279 4.5071 5.0986 5.2018 6.9249 7.1476 7.9008 8.1844 8.6655 8.7917 9.1864 9.6783 k = 0.2093 0.1208-0.0000 ( 4767 PWs) bands (ev): -12.2663 -12.2657 -12.2642 -12.2640 -12.2541 -12.2510 -12.2490 -12.2443 -9.7316 -9.7235 -9.7205 -9.7142 -9.6988 -9.6985 -9.6912 -9.6909 -9.6807 -9.6773 -9.6733 -9.6693 -6.5353 -6.5255 -6.1641 -6.1587 -1.8247 -1.8207 -1.2015 -1.2001 2.8134 3.0631 3.6491 3.7568 3.8682 3.9351 4.2365 4.2874 4.3407 4.5180 5.0310 5.1426 6.9418 7.1057 7.9357 8.1819 8.6781 8.7933 9.1942 9.6399 k = 0.2209 0.1276-0.0000 ( 4765 PWs) bands (ev): -12.2662 -12.2656 -12.2641 -12.2638 -12.2541 -12.2510 -12.2491 -12.2444 -9.7331 -9.7242 -9.7215 -9.7145 -9.6991 -9.6988 -9.6904 -9.6902 -9.6811 -9.6774 -9.6725 -9.6687 -6.5063 -6.4960 -6.1413 -6.1355 -1.8100 -1.8061 -1.2473 -1.2454 2.7301 2.9836 3.6270 3.7250 3.8496 3.9040 4.2164 4.2694 4.3561 4.5281 4.9657 5.0818 6.9479 7.0591 7.9690 8.1830 8.6932 8.7976 9.2028 9.6028 k = 0.2326 0.1343-0.0000 ( 4763 PWs) bands (ev): -12.2662 -12.2655 -12.2640 -12.2636 -12.2540 -12.2509 -12.2491 -12.2445 -9.7345 -9.7248 -9.7227 -9.7149 -9.6993 -9.6991 -9.6896 -9.6895 -9.6815 -9.6773 -9.6717 -9.6682 -6.4763 -6.4656 -6.1180 -6.1117 -1.7954 -1.7917 -1.2944 -1.2918 2.6505 2.9074 3.6024 3.6929 3.8283 3.8717 4.1963 4.2511 4.3735 4.5369 4.9042 5.0202 6.9436 7.0094 7.9993 8.1878 8.7098 8.8031 9.2127 9.5675 k = 0.2442 0.1410-0.0000 ( 4759 PWs) bands (ev): -12.2661 -12.2653 -12.2638 -12.2634 -12.2540 -12.2509 -12.2491 -12.2446 -9.7360 -9.7254 -9.7239 -9.7154 -9.6995 -9.6993 -9.6889 -9.6888 -9.6817 -9.6773 -9.6708 -9.6676 -6.4453 -6.4343 -6.0943 -6.0876 -1.7811 -1.7775 -1.3424 -1.3391 2.5750 2.8350 3.5751 3.6605 3.8044 3.8381 4.1765 4.2326 4.3924 4.5435 4.8481 4.9591 6.9302 6.9581 8.0262 8.1956 8.7268 8.8087 9.2239 9.5341 k = 0.2558 0.1477-0.0000 ( 4751 PWs) bands (ev): -12.2661 -12.2652 -12.2637 -12.2633 -12.2539 -12.2509 -12.2491 -12.2446 -9.7375 -9.7261 -9.7253 -9.7159 -9.6997 -9.6994 -9.6883 -9.6879 -9.6819 -9.6771 -9.6699 -9.6671 -6.4136 -6.4023 -6.0704 -6.0634 -1.7671 -1.7636 -1.3911 -1.3871 2.5039 2.7666 3.5447 3.6276 3.7782 3.8032 4.1573 4.2140 4.4122 4.5466 4.7995 4.8993 6.9059 6.9090 8.0494 8.2053 8.7429 8.8132 9.2367 9.5031 k = 0.2674 0.1544-0.0000 ( 4743 PWs) bands (ev): -12.2661 -12.2651 -12.2636 -12.2631 -12.2538 -12.2508 -12.2491 -12.2447 -9.7390 -9.7268 -9.7267 -9.7165 -9.6999 -9.6995 -9.6877 -9.6871 -9.6821 -9.6769 -9.6690 -9.6665 -6.3813 -6.3696 -6.0464 -6.0390 -1.7535 -1.7502 -1.4402 -1.4356 2.4373 2.7025 3.5109 3.5940 3.7498 3.7670 4.1389 4.1955 4.4328 4.5446 4.7606 4.8417 6.8539 6.8817 8.0692 8.2157 8.7570 8.8160 9.2509 9.4750 k = 0.2791 0.1611-0.0000 ( 4743 PWs) bands (ev): -12.2660 -12.2650 -12.2635 -12.2629 -12.2537 -12.2508 -12.2490 -12.2448 -9.7404 -9.7283 -9.7274 -9.7172 -9.7000 -9.6995 -9.6872 -9.6862 -9.6821 -9.6767 -9.6681 -9.6659 -6.3484 -6.3364 -6.0224 -6.0148 -1.7407 -1.7375 -1.4894 -1.4842 2.3756 2.6430 3.4732 3.5595 3.7195 3.7300 4.1214 4.1771 4.4536 4.5361 4.7330 4.7873 6.8025 6.8500 8.0860 8.2259 8.7680 8.8164 9.2661 9.4503 k = 0.2907 0.1678-0.0000 ( 4741 PWs) bands (ev): -12.2660 -12.2649 -12.2634 -12.2628 -12.2536 -12.2508 -12.2489 -12.2450 -9.7418 -9.7299 -9.7280 -9.7180 -9.7001 -9.6995 -9.6867 -9.6854 -9.6820 -9.6763 -9.6672 -9.6653 -6.3150 -6.3029 -5.9987 -5.9908 -1.7288 -1.7257 -1.5382 -1.5327 2.3191 2.5883 3.4311 3.5235 3.6876 3.6930 4.1049 4.1589 4.4743 4.5212 4.7167 4.7369 6.7525 6.8152 8.1003 8.2349 8.7753 8.8142 9.2811 9.4301 k = 0.3023 0.1745-0.0000 ( 4751 PWs) bands (ev): -12.2660 -12.2649 -12.2633 -12.2626 -12.2535 -12.2508 -12.2489 -12.2451 -9.7431 -9.7315 -9.7286 -9.7188 -9.7002 -9.6995 -9.6863 -9.6848 -9.6818 -9.6760 -9.6663 -9.6647 -6.2815 -6.2692 -5.9753 -5.9673 -1.7182 -1.7151 -1.5862 -1.5803 2.2678 2.5385 3.3842 3.4857 3.6549 3.6567 4.0895 4.1410 4.4943 4.5024 4.6912 4.7094 6.7042 6.7785 8.1126 8.2423 8.7785 8.8090 9.2940 9.4162 k = 0.3140 0.1813-0.0000 ( 4759 PWs) bands (ev): -12.2659 -12.2648 -12.2632 -12.2625 -12.2534 -12.2508 -12.2488 -12.2452 -9.7444 -9.7331 -9.7292 -9.7197 -9.7002 -9.6995 -9.6859 -9.6843 -9.6813 -9.6756 -9.6654 -9.6641 -6.2478 -6.2355 -5.9525 -5.9443 -1.7105 -1.7068 -1.6315 -1.6260 2.2221 2.4939 3.3324 3.4452 3.6219 3.6221 4.0750 4.1234 4.4824 4.5128 4.6513 4.7078 6.6581 6.7410 8.1232 8.2479 8.7776 8.8012 9.3018 9.3972 k = 0.3256 0.1880-0.0000 ( 4755 PWs) bands (ev): -12.2659 -12.2648 -12.2631 -12.2624 -12.2533 -12.2509 -12.2487 -12.2453 -9.7456 -9.7348 -9.7298 -9.7206 -9.7003 -9.6995 -9.6856 -9.6839 -9.6807 -9.6751 -9.6646 -9.6635 -6.2142 -6.2019 -5.9303 -5.9221 -1.7132 -1.7070 -1.6663 -1.6632 2.1820 2.4547 3.2759 3.4017 3.5892 3.5901 4.0614 4.1064 4.4635 4.5275 4.6193 4.7095 6.6144 6.7035 8.1326 8.2516 8.7728 8.7908 9.3028 9.3726 k = 0.3372 0.1947-0.0000 ( 4767 PWs) bands (ev): -12.2659 -12.2647 -12.2630 -12.2623 -12.2532 -12.2509 -12.2486 -12.2454 -9.7468 -9.7364 -9.7303 -9.7215 -9.7003 -9.6995 -9.6853 -9.6837 -9.6800 -9.6746 -9.6638 -9.6629 -6.1808 -6.1687 -5.9090 -5.9008 -1.7426 -1.7342 -1.6743 -1.6734 2.1477 2.4209 3.2153 3.3547 3.5589 3.5596 4.0487 4.0899 4.4467 4.5330 4.6004 4.7127 6.5736 6.6667 8.1411 8.2537 8.7645 8.7783 9.2982 9.3498 k = 0.3488 0.2014-0.0000 ( 4757 PWs) bands (ev): -12.2659 -12.2647 -12.2629 -12.2622 -12.2531 -12.2509 -12.2484 -12.2455 -9.7478 -9.7379 -9.7308 -9.7225 -9.7003 -9.6995 -9.6851 -9.6836 -9.6792 -9.6742 -9.6630 -9.6623 -6.1479 -6.1359 -5.8887 -5.8807 -1.7835 -1.7750 -1.6701 -1.6694 2.1194 2.3926 3.1514 3.3042 3.5310 3.5311 4.0368 4.0741 4.4327 4.5236 4.6000 4.7164 6.5357 6.6310 8.1490 8.2543 8.7534 8.7641 9.2909 9.3290 k = 0.3605 0.2081-0.0000 ( 4759 PWs) bands (ev): -12.2658 -12.2647 -12.2629 -12.2621 -12.2529 -12.2509 -12.2483 -12.2456 -9.7488 -9.7395 -9.7312 -9.7234 -9.7003 -9.6995 -9.6849 -9.6835 -9.6784 -9.6737 -9.6622 -9.6618 -6.1156 -6.1039 -5.8696 -5.8618 -1.8252 -1.8168 -1.6644 -1.6638 2.0971 2.3698 3.0851 3.2505 3.5049 3.5056 4.0256 4.0590 4.4215 4.5067 4.6102 4.7201 6.5011 6.5967 8.1563 8.2536 8.7400 8.7486 9.2829 9.3102 k = 0.3721 0.2148-0.0000 ( 4759 PWs) bands (ev): -12.2658 -12.2647 -12.2628 -12.2620 -12.2528 -12.2510 -12.2482 -12.2457 -9.7497 -9.7410 -9.7316 -9.7243 -9.7003 -9.6995 -9.6847 -9.6834 -9.6775 -9.6732 -9.6615 -9.6612 -6.0841 -6.0729 -5.8518 -5.8443 -1.8656 -1.8573 -1.6589 -1.6583 2.0808 2.3525 3.0175 3.1942 3.4812 3.4824 4.0151 4.0448 4.4129 4.4896 4.6233 4.7233 6.4698 6.5643 8.1633 8.2521 8.7250 8.7323 9.2751 9.2933 k = 0.3837 0.2215-0.0000 ( 4755 PWs) bands (ev): -12.2658 -12.2647 -12.2627 -12.2620 -12.2527 -12.2510 -12.2480 -12.2458 -9.7505 -9.7424 -9.7319 -9.7252 -9.7003 -9.6995 -9.6845 -9.6833 -9.6767 -9.6728 -9.6609 -9.6607 -6.0537 -6.0430 -5.8355 -5.8285 -1.9039 -1.8959 -1.6539 -1.6535 2.0705 2.3406 2.9494 3.1360 3.4598 3.4614 4.0054 4.0315 4.4067 4.4745 4.6366 4.7259 6.4420 6.5338 8.1700 8.2499 8.7091 8.7156 9.2680 9.2783 k = 0.3953 0.2283-0.0000 ( 4751 PWs) bands (ev): -12.2657 -12.2647 -12.2626 -12.2619 -12.2526 -12.2511 -12.2479 -12.2459 -9.7511 -9.7438 -9.7322 -9.7261 -9.7003 -9.6995 -9.6843 -9.6833 -9.6760 -9.6724 -9.6603 -9.6602 -6.0246 -6.0145 -5.8209 -5.8143 -1.9396 -1.9320 -1.6497 -1.6493 2.0663 2.3339 2.8818 3.0766 3.4406 3.4425 3.9965 4.0192 4.4027 4.4618 4.6490 4.7277 6.4178 6.5054 8.1766 8.2473 8.6928 8.6990 9.2615 9.2654 k = 0.4070 0.2350-0.0000 ( 4757 PWs) bands (ev): -12.2657 -12.2647 -12.2626 -12.2619 -12.2525 -12.2511 -12.2478 -12.2460 -9.7517 -9.7451 -9.7324 -9.7269 -9.7003 -9.6995 -9.6842 -9.6833 -9.6752 -9.6721 -9.6597 -9.6597 -5.9971 -5.9876 -5.8080 -5.8020 -1.9725 -1.9653 -1.6462 -1.6459 2.0679 2.3318 2.8156 3.0168 3.4237 3.4257 3.9884 4.0079 4.4004 4.4514 4.6605 4.7287 6.3971 6.4792 8.1829 8.2445 8.6767 8.6828 9.2543 9.2556 k = 0.4186 0.2417-0.0000 ( 4761 PWs) bands (ev): -12.2656 -12.2648 -12.2625 -12.2619 -12.2523 -12.2512 -12.2476 -12.2461 -9.7521 -9.7463 -9.7326 -9.7277 -9.7002 -9.6995 -9.6841 -9.6832 -9.6746 -9.6718 -9.6593 -9.6592 -5.9714 -5.9627 -5.7969 -5.7916 -2.0022 -1.9956 -1.6434 -1.6432 2.0752 2.3339 2.7522 2.9573 3.4090 3.4109 3.9812 3.9977 4.3996 4.4429 4.6707 4.7289 6.3800 6.4553 8.1890 8.2416 8.6613 8.6674 9.2451 9.2503 k = 0.4302 0.2484-0.0000 ( 4761 PWs) bands (ev): -12.2656 -12.2648 -12.2624 -12.2619 -12.2522 -12.2512 -12.2475 -12.2462 -9.7525 -9.7474 -9.7327 -9.7285 -9.7002 -9.6996 -9.6840 -9.6832 -9.6739 -9.6715 -9.6589 -9.6588 -5.9478 -5.9400 -5.7877 -5.7831 -2.0284 -2.0225 -1.6412 -1.6410 2.0881 2.3388 2.6929 2.8987 3.3962 3.3981 3.9749 3.9887 4.4000 4.4360 4.6797 4.7284 6.3664 6.4335 8.1948 8.2388 8.6472 8.6531 9.2377 9.2455 k = 0.4419 0.2551-0.0000 ( 4749 PWs) bands (ev): -12.2655 -12.2649 -12.2623 -12.2619 -12.2521 -12.2513 -12.2474 -12.2463 -9.7527 -9.7484 -9.7327 -9.7292 -9.7001 -9.6996 -9.6838 -9.6832 -9.6734 -9.6714 -9.6585 -9.6585 -5.9266 -5.9198 -5.7803 -5.7765 -2.0509 -2.0458 -1.6395 -1.6394 2.1063 2.3445 2.6403 2.8418 3.3856 3.3872 3.9697 3.9809 4.4012 4.4305 4.6876 4.7273 6.3563 6.4141 8.2004 8.2360 8.6347 8.6402 9.2321 9.2410 k = 0.4535 0.2618-0.0000 ( 4750 PWs) bands (ev): -12.2654 -12.2649 -12.2623 -12.2619 -12.2520 -12.2514 -12.2473 -12.2464 -9.7528 -9.7494 -9.7327 -9.7299 -9.7001 -9.6996 -9.6837 -9.6832 -9.6729 -9.6712 -9.6583 -9.6582 -5.9082 -5.9026 -5.7748 -5.7717 -2.0695 -2.0653 -1.6383 -1.6381 2.1295 2.3472 2.5983 2.7871 3.3769 3.3783 3.9655 3.9743 4.4030 4.4260 4.6945 4.7255 6.3494 6.3970 8.2056 8.2333 8.6241 8.6291 9.2280 9.2370 k = 0.4651 0.2685-0.0000 ( 4756 PWs) bands (ev): -12.2654 -12.2650 -12.2622 -12.2619 -12.2519 -12.2514 -12.2471 -12.2465 -9.7528 -9.7502 -9.7326 -9.7304 -9.7000 -9.6997 -9.6836 -9.6833 -9.6724 -9.6712 -9.6580 -9.6579 -5.8930 -5.8886 -5.7708 -5.7686 -2.0840 -2.0808 -1.6374 -1.6373 2.1571 2.3413 2.5726 2.7355 3.3702 3.3713 3.9624 3.9689 4.4053 4.4222 4.7004 4.7233 6.3457 6.3821 8.2103 8.2307 8.6158 8.6198 9.2255 9.2333 k = 0.4767 0.2752-0.0000 ( 4764 PWs) bands (ev): -12.2653 -12.2650 -12.2622 -12.2620 -12.2518 -12.2515 -12.2470 -12.2466 -9.7526 -9.7509 -9.7324 -9.7310 -9.6999 -9.6997 -9.6836 -9.6833 -9.6720 -9.6712 -9.6579 -9.6578 -5.8814 -5.8784 -5.7682 -5.7668 -2.0944 -2.0922 -1.6368 -1.6367 2.1886 2.3229 2.5675 2.6877 3.3655 3.3662 3.9604 3.9647 4.4078 4.4189 4.7055 4.7206 6.3450 6.3697 8.2147 8.2280 8.6100 8.6128 9.2244 9.2301 k = 0.4884 0.2820-0.0000 ( 4762 PWs) bands (ev): -12.2652 -12.2651 -12.2621 -12.2620 -12.2518 -12.2516 -12.2469 -12.2467 -9.7524 -9.7515 -9.7321 -9.7314 -9.6999 -9.6998 -9.6835 -9.6834 -9.6717 -9.6713 -9.6577 -9.6577 -5.8739 -5.8723 -5.7667 -5.7660 -2.1004 -2.0993 -1.6364 -1.6364 2.2231 2.2937 2.5812 2.6448 3.3628 3.3631 3.9597 3.9618 4.4104 4.4160 4.7101 4.7175 6.3472 6.3596 8.2185 8.2251 8.6067 8.6082 9.2244 9.2274 k = 0.5000 0.2887-0.0000 ( 4764 PWs) bands (ev): -12.2652 -12.2652 -12.2620 -12.2620 -12.2517 -12.2517 -12.2468 -12.2468 -9.7520 -9.7520 -9.7318 -9.7318 -9.6998 -9.6998 -9.6834 -9.6834 -9.6715 -9.6715 -9.6577 -9.6577 -5.8708 -5.8708 -5.7660 -5.7660 -2.1020 -2.1020 -1.6363 -1.6363 2.2590 2.2590 2.6084 2.6084 3.3620 3.3620 3.9601 3.9601 4.4131 4.4131 4.7140 4.7140 6.3521 6.3521 8.2220 8.2220 8.6062 8.6062 9.2255 9.2255 k = 0.5000 0.2887-0.0000 ( 4764 PWs) bands (ev): -12.2652 -12.2652 -12.2620 -12.2620 -12.2517 -12.2517 -12.2468 -12.2468 -9.7520 -9.7520 -9.7318 -9.7318 -9.6998 -9.6998 -9.6834 -9.6834 -9.6715 -9.6715 -9.6577 -9.6577 -5.8708 -5.8708 -5.7660 -5.7660 -2.1020 -2.1020 -1.6363 -1.6363 2.2590 2.2590 2.6084 2.6084 3.3620 3.3620 3.9601 3.9601 4.4131 4.4131 4.7140 4.7140 6.3521 6.3521 8.2220 8.2220 8.6062 8.6062 9.2255 9.2255 k = 0.4933 0.3002-0.0000 ( 4756 PWs) bands (ev): -12.2655 -12.2650 -12.2622 -12.2618 -12.2518 -12.2515 -12.2469 -12.2467 -9.7524 -9.7516 -9.7330 -9.7306 -9.7001 -9.6996 -9.6834 -9.6834 -9.6718 -9.6713 -9.6578 -9.6576 -5.8704 -5.8703 -5.7660 -5.7654 -2.1024 -2.1023 -1.6362 -1.6360 2.2574 2.2623 2.6074 2.6103 3.3549 3.3625 3.9452 3.9620 4.4090 4.4124 4.7102 4.7252 6.3529 6.3664 8.2117 8.2307 8.6068 8.6088 9.2197 9.2293 k = 0.4867 0.3118-0.0000 ( 4762 PWs) bands (ev): -12.2658 -12.2650 -12.2621 -12.2614 -12.2519 -12.2514 -12.2470 -12.2466 -9.7527 -9.7512 -9.7341 -9.7294 -9.7003 -9.6993 -9.6834 -9.6834 -9.6722 -9.6711 -9.6580 -9.6575 -5.8690 -5.8689 -5.7653 -5.7641 -2.1036 -2.1034 -1.6355 -1.6351 2.2575 2.2675 2.6072 2.6131 3.3417 3.3564 3.9176 3.9510 4.3998 4.4073 4.7139 4.7433 6.3689 6.3949 8.1999 8.2378 8.6109 8.6146 9.2119 9.2312 k = 0.4800 0.3233-0.0000 ( 4762 PWs) bands (ev): -12.2662 -12.2651 -12.2619 -12.2610 -12.2521 -12.2514 -12.2471 -12.2465 -9.7529 -9.7507 -9.7352 -9.7282 -9.7005 -9.6990 -9.6834 -9.6833 -9.6726 -9.6711 -9.6583 -9.6575 -5.8668 -5.8666 -5.7640 -5.7622 -2.1055 -2.1053 -1.6342 -1.6336 2.2592 2.2744 2.6077 2.6170 3.3232 3.3441 3.8785 3.9281 4.3851 4.3978 4.7246 4.7675 6.3996 6.4363 8.1867 8.2434 8.6183 8.6233 9.2022 9.2313 k = 0.4733 0.3349-0.0000 ( 4770 PWs) bands (ev): -12.2666 -12.2653 -12.2616 -12.2606 -12.2522 -12.2513 -12.2472 -12.2465 -9.7531 -9.7503 -9.7363 -9.7271 -9.7007 -9.6987 -9.6833 -9.6832 -9.6731 -9.6711 -9.6585 -9.6576 -5.8637 -5.8634 -5.7620 -5.7597 -2.1081 -2.1078 -1.6325 -1.6317 2.2625 2.2833 2.6086 2.6218 3.3003 3.3263 3.8295 3.8945 4.3650 4.3841 4.7417 4.7967 6.4442 6.4890 8.1724 8.2476 8.6289 8.6344 9.1904 9.2300 k = 0.4667 0.3464-0.0000 ( 4770 PWs) bands (ev): -12.2670 -12.2655 -12.2612 -12.2601 -12.2524 -12.2513 -12.2473 -12.2464 -9.7532 -9.7498 -9.7373 -9.7259 -9.7009 -9.6984 -9.6832 -9.6831 -9.6736 -9.6712 -9.6589 -9.6577 -5.8597 -5.8593 -5.7594 -5.7566 -2.1115 -2.1111 -1.6303 -1.6293 2.2671 2.2939 2.6098 2.6275 3.2743 3.3039 3.7724 3.8519 4.3395 4.3661 4.7642 4.8299 6.5012 6.5514 8.1571 8.2508 8.6426 8.6474 9.1765 9.2277 k = 0.4600 0.3580-0.0000 ( 4760 PWs) bands (ev): -12.2674 -12.2657 -12.2608 -12.2596 -12.2525 -12.2513 -12.2473 -12.2463 -9.7533 -9.7493 -9.7383 -9.7248 -9.7011 -9.6981 -9.6831 -9.6830 -9.6742 -9.6713 -9.6592 -9.6578 -5.8548 -5.8545 -5.7563 -5.7529 -2.1156 -2.1151 -1.6276 -1.6264 2.2730 2.3064 2.6110 2.6341 3.2465 3.2782 3.7089 3.8020 4.3087 4.3437 4.7912 4.8661 6.5688 6.6214 8.1413 8.2532 8.6592 8.6616 9.1603 9.2250 k = 0.4533 0.3695-0.0000 ( 4760 PWs) bands (ev): -12.2677 -12.2660 -12.2604 -12.2591 -12.2527 -12.2513 -12.2474 -12.2463 -9.7532 -9.7489 -9.7392 -9.7239 -9.7013 -9.6977 -9.6830 -9.6829 -9.6749 -9.6715 -9.6596 -9.6580 -5.8492 -5.8488 -5.7526 -5.7488 -2.1204 -2.1198 -1.6245 -1.6232 2.2800 2.3207 2.6118 2.6415 3.2181 3.2504 3.6409 3.7463 4.2729 4.3169 4.8218 4.9042 6.6454 6.6975 8.1252 8.2551 8.6763 8.6785 9.1417 9.2226 k = 0.4467 0.3811-0.0000 ( 4770 PWs) bands (ev): -12.2681 -12.2662 -12.2599 -12.2587 -12.2528 -12.2514 -12.2474 -12.2463 -9.7531 -9.7484 -9.7400 -9.7230 -9.7014 -9.6973 -9.6828 -9.6828 -9.6755 -9.6718 -9.6600 -9.6582 -5.8429 -5.8424 -5.7485 -5.7442 -2.1258 -2.1251 -1.6210 -1.6196 2.2879 2.3366 2.6119 2.6496 3.1904 3.2217 3.5698 3.6865 4.2324 4.2857 4.8550 4.9434 6.7292 6.7779 8.1091 8.2568 8.6909 8.7003 9.1203 9.2211 k = 0.4400 0.3926-0.0000 ( 4766 PWs) bands (ev): -12.2684 -12.2664 -12.2595 -12.2582 -12.2529 -12.2514 -12.2475 -12.2463 -9.7530 -9.7480 -9.7408 -9.7222 -9.7014 -9.6969 -9.6827 -9.6827 -9.6762 -9.6721 -9.6604 -9.6585 -5.8359 -5.8354 -5.7439 -5.7393 -2.1319 -2.1311 -1.6173 -1.6157 2.2964 2.3541 2.6108 2.6582 3.1647 3.1934 3.4972 3.6240 4.1874 4.2501 4.8901 4.9829 6.8185 6.8612 8.0934 8.2585 8.7046 8.7247 9.0961 9.2210 k = 0.4333 0.4041-0.0000 ( 4766 PWs) bands (ev): -12.2687 -12.2666 -12.2591 -12.2578 -12.2529 -12.2515 -12.2475 -12.2463 -9.7527 -9.7476 -9.7415 -9.7217 -9.7013 -9.6964 -9.6826 -9.6825 -9.6769 -9.6725 -9.6608 -9.6588 -5.8282 -5.8277 -5.7391 -5.7341 -2.1385 -2.1376 -1.6132 -1.6116 2.3052 2.3730 2.6083 2.6672 3.1419 3.1664 3.4243 3.5602 4.1385 4.2102 4.9262 5.0220 6.9118 6.9458 8.0782 8.2607 8.7167 8.7513 9.0688 9.2227 k = 0.4267 0.4157-0.0000 ( 4770 PWs) bands (ev): -12.2690 -12.2668 -12.2587 -12.2575 -12.2529 -12.2516 -12.2475 -12.2463 -9.7524 -9.7473 -9.7422 -9.7213 -9.7012 -9.6959 -9.6825 -9.6823 -9.6775 -9.6729 -9.6612 -9.6591 -5.8200 -5.8195 -5.7340 -5.7286 -2.1457 -2.1447 -1.6090 -1.6073 2.3140 2.3930 2.6042 2.6764 3.1231 3.1419 3.3523 3.4963 4.0858 4.1663 4.9629 5.0602 7.0076 7.0305 8.0640 8.2637 8.7266 8.7803 9.0384 9.2263 k = 0.4200 0.4272-0.0000 ( 4766 PWs) bands (ev): -12.2693 -12.2669 -12.2583 -12.2572 -12.2528 -12.2517 -12.2475 -12.2464 -9.7520 -9.7469 -9.7428 -9.7211 -9.7009 -9.6953 -9.6824 -9.6822 -9.6781 -9.6734 -9.6616 -9.6594 -5.8114 -5.8108 -5.7287 -5.7231 -2.1533 -2.1522 -1.6046 -1.6028 2.3226 2.4134 2.5988 2.6856 3.1085 3.1206 3.2824 3.4335 4.0299 4.1185 4.9995 5.0969 7.1045 7.1141 8.0510 8.2675 8.7340 8.8115 9.0052 9.2317 k = 0.4133 0.4388-0.0000 ( 4762 PWs) bands (ev): -12.2695 -12.2670 -12.2580 -12.2570 -12.2527 -12.2518 -12.2475 -12.2464 -9.7516 -9.7467 -9.7433 -9.7211 -9.7005 -9.6947 -9.6825 -9.6820 -9.6787 -9.6739 -9.6620 -9.6598 -5.8023 -5.8018 -5.7234 -5.7176 -2.1613 -2.1600 -1.6002 -1.5984 2.3304 2.4333 2.5931 2.6946 3.0978 3.1033 3.2164 3.3729 3.9711 4.0671 5.0356 5.1317 7.1954 7.2013 8.0395 8.2725 8.7383 8.8448 8.9694 9.2384 k = 0.4067 0.4503-0.0000 ( 4754 PWs) bands (ev): -12.2698 -12.2671 -12.2577 -12.2568 -12.2524 -12.2519 -12.2475 -12.2465 -9.7510 -9.7464 -9.7438 -9.7214 -9.7001 -9.6941 -9.6825 -9.6818 -9.6792 -9.6744 -9.6623 -9.6601 -5.7929 -5.7925 -5.7181 -5.7121 -2.1695 -2.1682 -1.5958 -1.5940 2.3374 2.4506 2.5891 2.7032 3.0873 3.0903 3.1588 3.3158 3.9100 4.0124 5.0707 5.1643 7.2733 7.2965 8.0296 8.2785 8.7394 8.8799 8.9320 9.2459 k = 0.4000 0.4619-0.0000 ( 4754 PWs) bands (ev): -12.2700 -12.2672 -12.2575 -12.2567 -12.2522 -12.2519 -12.2475 -12.2466 -9.7505 -9.7462 -9.7442 -9.7218 -9.6996 -9.6935 -9.6827 -9.6816 -9.6795 -9.6749 -9.6626 -9.6605 -5.7834 -5.7830 -5.7130 -5.7069 -2.1779 -2.1765 -1.5914 -1.5897 2.3431 2.4623 2.5902 2.7111 3.0612 3.0817 3.1259 3.2633 3.8471 3.9547 5.1045 5.1944 7.3470 7.3888 8.0220 8.2856 8.7370 8.8888 8.9213 9.2532 k = 0.3933 0.4734-0.0000 ( 4742 PWs) bands (ev): -12.2701 -12.2673 -12.2573 -12.2567 -12.2520 -12.2518 -12.2475 -12.2467 -9.7499 -9.7461 -9.7446 -9.7223 -9.6990 -9.6928 -9.6830 -9.6814 -9.6798 -9.6754 -9.6629 -9.6609 -5.7737 -5.7734 -5.7082 -5.7021 -2.1863 -2.1848 -1.5873 -1.5855 2.3476 2.4655 2.5998 2.7180 3.0150 3.0770 3.1226 3.2170 3.7831 3.8943 5.1367 5.2217 7.4157 7.4764 8.0171 8.2931 8.7313 8.8499 8.9600 9.2592 k = 0.3867 0.4850-0.0000 ( 4740 PWs) bands (ev): -12.2703 -12.2673 -12.2572 -12.2567 -12.2520 -12.2515 -12.2475 -12.2468 -9.7492 -9.7460 -9.7449 -9.7230 -9.6984 -9.6921 -9.6834 -9.6813 -9.6799 -9.6759 -9.6631 -9.6612 -5.7640 -5.7639 -5.7037 -5.6977 -2.1946 -2.1931 -1.5833 -1.5817 2.3509 2.4602 2.6180 2.7233 2.9667 3.0752 3.1310 3.1787 3.7187 3.8318 5.1671 5.2459 7.4787 7.5573 8.0161 8.3006 8.7223 8.8098 9.0020 9.2631 k = 0.3800 0.4965-0.0000 ( 4726 PWs) bands (ev): -12.2704 -12.2673 -12.2571 -12.2567 -12.2520 -12.2511 -12.2475 -12.2469 -9.7486 -9.7459 -9.7452 -9.7237 -9.6979 -9.6914 -9.6839 -9.6811 -9.6800 -9.6764 -9.6633 -9.6615 -5.7545 -5.7544 -5.6998 -5.6939 -2.2026 -2.2011 -1.5796 -1.5781 2.3530 2.4494 2.6422 2.7266 2.9230 3.0736 3.1449 3.1515 3.6548 3.7675 5.1952 5.2669 7.5356 7.6289 8.0204 8.3069 8.7107 8.7707 9.0460 9.2643 k = 0.3733 0.5081-0.0000 ( 4714 PWs) bands (ev): -12.2705 -12.2674 -12.2570 -12.2567 -12.2520 -12.2508 -12.2475 -12.2470 -9.7480 -9.7459 -9.7454 -9.7245 -9.6973 -9.6908 -9.6844 -9.6810 -9.6799 -9.6769 -9.6634 -9.6619 -5.7453 -5.7452 -5.6966 -5.6908 -2.2101 -2.2087 -1.5763 -1.5749 2.3543 2.4356 2.6691 2.7273 2.8862 3.0684 3.1390 3.1626 3.5927 3.7019 5.2210 5.2846 7.5862 7.6880 8.0325 8.3108 8.6971 8.7336 9.0913 9.2634 k = 0.3667 0.5196-0.0000 ( 4718 PWs) bands (ev): -12.2706 -12.2674 -12.2570 -12.2567 -12.2520 -12.2504 -12.2475 -12.2472 -9.7474 -9.7458 -9.7455 -9.7253 -9.6969 -9.6901 -9.6849 -9.6809 -9.6799 -9.6773 -9.6634 -9.6621 -5.7366 -5.7363 -5.6942 -5.6886 -2.2170 -2.2157 -1.5734 -1.5722 2.3552 2.4209 2.6952 2.7254 2.8591 3.0588 3.1409 3.1831 3.5340 3.6355 5.2441 5.2988 7.6304 7.7314 8.0541 8.3111 8.6828 8.6996 9.1373 9.2614 k = 0.3600 0.5312-0.0000 ( 4715 PWs) bands (ev): -12.2707 -12.2674 -12.2570 -12.2568 -12.2519 -12.2501 -12.2475 -12.2473 -9.7468 -9.7458 -9.7457 -9.7260 -9.6965 -9.6895 -9.6854 -9.6808 -9.6797 -9.6778 -9.6634 -9.6624 -5.7284 -5.7279 -5.6926 -5.6873 -2.2231 -2.2219 -1.5709 -1.5699 2.3560 2.4065 2.7152 2.7211 2.8465 3.0472 3.1525 3.2056 3.4809 3.5691 5.2645 5.3093 7.6682 7.7585 8.0853 8.3064 8.6690 8.6697 9.1825 9.2599 k = 0.3533 0.5427-0.0000 ( 4731 PWs) bands (ev): -12.2708 -12.2674 -12.2570 -12.2568 -12.2519 -12.2499 -12.2476 -12.2474 -9.7464 -9.7458 -9.7458 -9.7266 -9.6961 -9.6889 -9.6859 -9.6807 -9.6796 -9.6781 -9.6634 -9.6626 -5.7209 -5.7203 -5.6921 -5.6871 -2.2281 -2.2271 -1.5689 -1.5681 2.3572 2.3932 2.7155 2.7238 2.8535 3.0332 3.1702 3.2291 3.4364 3.5037 5.2819 5.3163 7.6998 7.7713 8.1230 8.2959 8.6449 8.6571 9.2248 9.2597 k = 0.3467 0.5543-0.0000 ( 4733 PWs) bands (ev): -12.2708 -12.2674 -12.2570 -12.2568 -12.2519 -12.2496 -12.2476 -12.2474 -9.7461 -9.7458 -9.7458 -9.7271 -9.6959 -9.6883 -9.6864 -9.6807 -9.6794 -9.6785 -9.6633 -9.6628 -5.7143 -5.7137 -5.6925 -5.6878 -2.2319 -2.2312 -1.5674 -1.5669 2.3591 2.3817 2.7101 2.7228 2.8777 3.0139 3.1927 3.2512 3.4034 3.4418 5.2962 5.3195 7.7254 7.7735 8.1626 8.2794 8.6262 8.6481 9.2604 9.2609 k = 0.3400 0.5658-0.0000 ( 4737 PWs) bands (ev): -12.2708 -12.2674 -12.2570 -12.2568 -12.2519 -12.2495 -12.2477 -12.2475 -9.7459 -9.7459 -9.7457 -9.7274 -9.6958 -9.6878 -9.6869 -9.6806 -9.6792 -9.6787 -9.6632 -9.6630 -5.7092 -5.7087 -5.6938 -5.6890 -2.2342 -2.2338 -1.5664 -1.5662 2.3620 2.3725 2.7060 2.7193 2.9116 2.9864 3.2197 3.2648 3.3840 3.3908 5.3072 5.3190 7.7452 7.7686 8.1998 8.2575 8.6145 8.6426 9.2627 9.2847 k = 0.3333 0.5774-0.0000 ( 4725 PWs) bands (ev): -12.2708 -12.2674 -12.2570 -12.2568 -12.2519 -12.2494 -12.2477 -12.2475 -9.7459 -9.7459 -9.7457 -9.7275 -9.6957 -9.6874 -9.6873 -9.6806 -9.6790 -9.6789 -9.6631 -9.6631 -5.7070 -5.7067 -5.6946 -5.6898 -2.2349 -2.2349 -1.5660 -1.5660 2.3661 2.3662 2.7045 2.7176 2.9503 2.9503 3.2506 3.2507 3.3704 3.3780 5.3149 5.3149 7.7591 7.7591 8.2313 8.2313 8.6105 8.6407 9.2637 9.2932 k = 0.3333 0.5774-0.0000 ( 4725 PWs) bands (ev): -12.2708 -12.2674 -12.2570 -12.2568 -12.2519 -12.2494 -12.2477 -12.2475 -9.7459 -9.7459 -9.7457 -9.7275 -9.6957 -9.6874 -9.6873 -9.6806 -9.6790 -9.6789 -9.6631 -9.6631 -5.7070 -5.7067 -5.6946 -5.6898 -2.2349 -2.2349 -1.5660 -1.5660 2.3661 2.3662 2.7045 2.7176 2.9503 2.9503 3.2506 3.2507 3.3704 3.3780 5.3149 5.3149 7.7591 7.7591 8.2313 8.2313 8.6105 8.6407 9.2637 9.2932 k = 0.3267 0.5658-0.0000 ( 4731 PWs) bands (ev): -12.2708 -12.2674 -12.2570 -12.2568 -12.2519 -12.2495 -12.2477 -12.2475 -9.7460 -9.7459 -9.7457 -9.7274 -9.6958 -9.6877 -9.6869 -9.6806 -9.6792 -9.6788 -9.6632 -9.6630 -5.7094 -5.7090 -5.6936 -5.6889 -2.2342 -2.2337 -1.5664 -1.5662 2.3629 2.3717 2.7062 2.7197 2.9074 2.9906 3.2069 3.2852 3.3832 3.3836 5.3071 5.3191 7.7469 7.7675 8.2021 8.2551 8.6145 8.6426 9.2621 9.2854 k = 0.3200 0.5543-0.0000 ( 4741 PWs) bands (ev): -12.2708 -12.2674 -12.2570 -12.2568 -12.2519 -12.2496 -12.2477 -12.2474 -9.7462 -9.7458 -9.7456 -9.7271 -9.6959 -9.6881 -9.6866 -9.6806 -9.6794 -9.6785 -9.6633 -9.6629 -5.7155 -5.7150 -5.6918 -5.6871 -2.2315 -2.2305 -1.5674 -1.5669 2.3632 2.3788 2.7115 2.7260 2.8607 3.0279 3.1578 3.3222 3.3974 3.4098 5.2959 5.3199 7.7331 7.7702 8.1714 8.2702 8.6259 8.6482 9.2562 9.2649 k = 0.3133 0.5427-0.0000 ( 4737 PWs) bands (ev): -12.2708 -12.2674 -12.2570 -12.2568 -12.2519 -12.2498 -12.2477 -12.2473 -9.7466 -9.7458 -9.7455 -9.7266 -9.6961 -9.6884 -9.6864 -9.6806 -9.6795 -9.6783 -9.6634 -9.6628 -5.7245 -5.7234 -5.6905 -5.6857 -2.2266 -2.2252 -1.5688 -1.5681 2.3671 2.3873 2.7198 2.7368 2.8138 3.0421 3.1316 3.3600 3.4195 3.4406 5.2813 5.3172 7.7190 7.7675 8.1404 8.2768 8.6436 8.6574 9.2371 9.2450 k = 0.3067 0.5312-0.0000 ( 4735 PWs) bands (ev): -12.2707 -12.2674 -12.2569 -12.2568 -12.2520 -12.2500 -12.2478 -12.2471 -9.7471 -9.7457 -9.7453 -9.7260 -9.6963 -9.6887 -9.6863 -9.6806 -9.6797 -9.6781 -9.6634 -9.6627 -5.7357 -5.7339 -5.6902 -5.6852 -2.2195 -2.2175 -1.5708 -1.5698 2.3748 2.3968 2.7257 2.7521 2.7746 3.0087 3.1551 3.3957 3.4500 3.4737 5.2636 5.3110 7.7052 7.7594 8.1104 8.2757 8.6656 8.6702 9.2063 9.2283 k = 0.3000 0.5196-0.0000 ( 4725 PWs) bands (ev): -12.2707 -12.2674 -12.2569 -12.2567 -12.2520 -12.2502 -12.2479 -12.2470 -9.7476 -9.7456 -9.7450 -9.7253 -9.6965 -9.6890 -9.6862 -9.6805 -9.6798 -9.6780 -9.6635 -9.6626 -5.7490 -5.7464 -5.6913 -5.6859 -2.2100 -2.2074 -1.5732 -1.5720 2.3862 2.4064 2.7059 2.7691 2.7717 2.9599 3.1971 3.4272 3.4895 3.5081 5.2428 5.3016 7.6925 7.7460 8.0825 8.2679 8.6864 8.6900 9.1755 9.2066 k = 0.2933 0.5081-0.0000 ( 4715 PWs) bands (ev): -12.2706 -12.2674 -12.2569 -12.2567 -12.2521 -12.2505 -12.2479 -12.2469 -9.7481 -9.7454 -9.7447 -9.7245 -9.6968 -9.6892 -9.6862 -9.6806 -9.6798 -9.6778 -9.6635 -9.6626 -5.7644 -5.7609 -5.6938 -5.6879 -2.1979 -2.1947 -1.5760 -1.5747 2.4011 2.4144 2.6724 2.7879 2.7955 2.9106 3.2431 3.4554 3.5359 3.5436 5.2194 5.2890 7.6814 7.7275 8.0574 8.2545 8.7056 8.7154 9.1469 9.1811 k = 0.2867 0.4965-0.0000 ( 4723 PWs) bands (ev): -12.2705 -12.2674 -12.2569 -12.2566 -12.2521 -12.2508 -12.2480 -12.2467 -9.7486 -9.7452 -9.7444 -9.7236 -9.6971 -9.6894 -9.6863 -9.6806 -9.6797 -9.6777 -9.6635 -9.6626 -5.7817 -5.7774 -5.6977 -5.6914 -2.1832 -2.1794 -1.5793 -1.5779 2.4176 2.4192 2.6458 2.8142 2.8232 2.8643 3.2902 3.4817 3.5800 3.5866 5.1935 5.2734 7.6721 7.7046 8.0356 8.2364 8.7275 8.7405 9.1213 9.1529 k = 0.2800 0.4850-0.0000 ( 4721 PWs) bands (ev): -12.2704 -12.2675 -12.2568 -12.2566 -12.2522 -12.2511 -12.2481 -12.2466 -9.7490 -9.7449 -9.7440 -9.7227 -9.6973 -9.6896 -9.6864 -9.6808 -9.6796 -9.6776 -9.6636 -9.6626 -5.8010 -5.7958 -5.7032 -5.6965 -2.1659 -2.1614 -1.5829 -1.5815 2.4128 2.4397 2.6328 2.8225 2.8452 2.8548 3.3373 3.5071 3.6175 3.6403 5.1655 5.2549 7.6650 7.6777 8.0173 8.2142 8.7515 8.7643 9.0994 9.1231 k = 0.2733 0.4734-0.0000 ( 4727 PWs) bands (ev): -12.2704 -12.2675 -12.2569 -12.2565 -12.2522 -12.2514 -12.2482 -12.2465 -9.7494 -9.7446 -9.7435 -9.7218 -9.6976 -9.6897 -9.6866 -9.6810 -9.6795 -9.6776 -9.6636 -9.6627 -5.8222 -5.8161 -5.7103 -5.7031 -2.1458 -2.1407 -1.5870 -1.5855 2.3986 2.4616 2.6357 2.7873 2.8803 2.8898 3.3836 3.5315 3.6561 3.6962 5.1355 5.2340 7.6478 7.6600 8.0022 8.1890 8.7771 8.7862 9.0811 9.0930 k = 0.2667 0.4619-0.0000 ( 4725 PWs) bands (ev): -12.2702 -12.2675 -12.2569 -12.2565 -12.2522 -12.2517 -12.2483 -12.2464 -9.7498 -9.7443 -9.7429 -9.7209 -9.6978 -9.6899 -9.6868 -9.6812 -9.6793 -9.6776 -9.6637 -9.6628 -5.8451 -5.8382 -5.7189 -5.7113 -2.1230 -2.1174 -1.5915 -1.5900 2.3777 2.4827 2.6523 2.7607 2.9189 2.9281 3.4286 3.5550 3.6961 3.7539 5.1040 5.2107 7.6159 7.6573 7.9901 8.1615 8.8033 8.8055 9.0637 9.0659 k = 0.2600 0.4503-0.0000 ( 4733 PWs) bands (ev): -12.2701 -12.2675 -12.2570 -12.2565 -12.2522 -12.2519 -12.2484 -12.2463 -9.7500 -9.7439 -9.7423 -9.7200 -9.6979 -9.6900 -9.6871 -9.6814 -9.6792 -9.6777 -9.6638 -9.6630 -5.8698 -5.8620 -5.7291 -5.7211 -2.0976 -2.0915 -1.5963 -1.5949 2.3539 2.5003 2.6791 2.7457 2.9609 2.9695 3.4716 3.5775 3.7377 3.8131 5.0712 5.1855 7.5827 7.6568 7.9803 8.1327 8.8219 8.8287 9.0370 9.0535 k = 0.2533 0.4388-0.0000 ( 4729 PWs) bands (ev): -12.2700 -12.2675 -12.2571 -12.2564 -12.2523 -12.2521 -12.2485 -12.2463 -9.7501 -9.7434 -9.7416 -9.7192 -9.6981 -9.6902 -9.6874 -9.6817 -9.6791 -9.6778 -9.6639 -9.6632 -5.8961 -5.8875 -5.7408 -5.7324 -2.0695 -2.0629 -1.6016 -1.6003 2.3305 2.5113 2.7132 2.7456 3.0059 3.0137 3.5122 3.5988 3.7813 3.8735 5.0373 5.1585 7.5493 7.6583 7.9722 8.1032 8.8349 8.8510 9.0154 9.0431 k = 0.2467 0.4272-0.0000 ( 4729 PWs) bands (ev): -12.2699 -12.2675 -12.2573 -12.2565 -12.2525 -12.2521 -12.2486 -12.2462 -9.7502 -9.7429 -9.7408 -9.7184 -9.6982 -9.6903 -9.6878 -9.6820 -9.6790 -9.6779 -9.6640 -9.6635 -5.9238 -5.9145 -5.7540 -5.7453 -2.0389 -2.0319 -1.6074 -1.6062 2.3092 2.5147 2.7529 2.7614 3.0535 3.0605 3.5499 3.6189 3.8270 3.9351 5.0028 5.1302 7.5162 7.6616 7.9653 8.0741 8.8444 8.8657 9.0037 9.0340 k = 0.2400 0.4157-0.0000 ( 4739 PWs) bands (ev): -12.2698 -12.2675 -12.2575 -12.2565 -12.2528 -12.2521 -12.2487 -12.2461 -9.7501 -9.7423 -9.7400 -9.7176 -9.6982 -9.6904 -9.6881 -9.6823 -9.6789 -9.6781 -9.6642 -9.6639 -5.9528 -5.9430 -5.7686 -5.7597 -2.0059 -1.9985 -1.6136 -1.6126 2.2914 2.5126 2.7909 2.7970 3.1037 3.1097 3.5846 3.6376 3.8748 3.9975 4.9677 5.1006 7.4840 7.6665 7.9589 8.0458 8.8503 8.8684 9.0066 9.0256 k = 0.2333 0.4041-0.0000 ( 4731 PWs) bands (ev): -12.2696 -12.2675 -12.2577 -12.2566 -12.2530 -12.2520 -12.2488 -12.2460 -9.7499 -9.7417 -9.7391 -9.7169 -9.6982 -9.6905 -9.6885 -9.6826 -9.6789 -9.6783 -9.6643 -9.6642 -5.9831 -5.9726 -5.7847 -5.7755 -1.9705 -1.9629 -1.6203 -1.6195 2.2778 2.5087 2.8305 2.8448 3.1559 3.1610 3.6160 3.6550 3.9249 4.0608 4.9324 5.0701 7.4534 7.6726 7.9522 8.0192 8.8528 8.8603 9.0176 9.0232 k = 0.2267 0.3926-0.0000 ( 4739 PWs) bands (ev): -12.2695 -12.2674 -12.2580 -12.2567 -12.2532 -12.2519 -12.2489 -12.2459 -9.7495 -9.7410 -9.7381 -9.7162 -9.6981 -9.6906 -9.6890 -9.6829 -9.6789 -9.6786 -9.6647 -9.6645 -6.0144 -6.0035 -5.8020 -5.7926 -1.9330 -1.9252 -1.6276 -1.6270 2.2689 2.5056 2.8772 2.8956 3.2101 3.2141 3.6444 3.6711 3.9769 4.1249 4.8972 5.0390 7.4246 7.6796 7.9447 7.9946 8.8472 8.8521 9.0095 9.0480 k = 0.2200 0.3811-0.0000 ( 4737 PWs) bands (ev): -12.2693 -12.2674 -12.2583 -12.2569 -12.2534 -12.2518 -12.2490 -12.2459 -9.7491 -9.7403 -9.7370 -9.7156 -9.6981 -9.6907 -9.6895 -9.6833 -9.6789 -9.6789 -9.6651 -9.6647 -6.0466 -6.0352 -5.8206 -5.8111 -1.8934 -1.8856 -1.6355 -1.6352 2.2651 2.5053 2.9290 2.9490 3.2658 3.2687 3.6699 3.6857 4.0307 4.1895 4.8622 5.0074 7.3980 7.6872 7.9355 7.9724 8.8338 8.8485 9.0014 9.0770 k = 0.2133 0.3695-0.0000 ( 4741 PWs) bands (ev): -12.2692 -12.2673 -12.2586 -12.2572 -12.2535 -12.2517 -12.2491 -12.2458 -9.7485 -9.7396 -9.7359 -9.7150 -9.6980 -9.6908 -9.6900 -9.6837 -9.6792 -9.6789 -9.6656 -9.6649 -6.0796 -6.0679 -5.8403 -5.8307 -1.8520 -1.8441 -1.6440 -1.6439 2.2666 2.5088 2.9845 3.0045 3.3227 3.3246 3.6928 3.6991 4.0861 4.2548 4.8277 4.9756 7.3737 7.6951 7.9242 7.9531 8.8223 8.8423 8.9934 9.1079 k = 0.2067 0.3580-0.0000 ( 4741 PWs) bands (ev): -12.2690 -12.2672 -12.2590 -12.2574 -12.2536 -12.2516 -12.2492 -12.2457 -9.7479 -9.7388 -9.7347 -9.7145 -9.6978 -9.6908 -9.6905 -9.6841 -9.6796 -9.6789 -9.6662 -9.6651 -6.1132 -6.1011 -5.8609 -5.8514 -1.8089 -1.8012 -1.6534 -1.6531 2.2736 2.5170 3.0428 3.0617 3.3806 3.3814 3.7113 3.7133 4.1426 4.3205 4.7939 4.9437 7.3520 7.7028 7.9101 7.9366 8.8143 8.8339 8.9857 9.1398 k = 0.2000 0.3464-0.0000 ( 4755 PWs) bands (ev): -12.2689 -12.2672 -12.2594 -12.2578 -12.2537 -12.2515 -12.2492 -12.2456 -9.7471 -9.7379 -9.7335 -9.7140 -9.6977 -9.6911 -9.6909 -9.6846 -9.6799 -9.6789 -9.6668 -9.6653 -6.1471 -6.1349 -5.8825 -5.8730 -1.7644 -1.7568 -1.6635 -1.6629 2.2863 2.5301 3.1030 3.1201 3.4387 3.4392 3.7225 3.7318 4.2001 4.3866 4.7613 4.9119 7.3327 7.7100 7.8928 7.9233 8.8104 8.8235 8.9783 9.1722 k = 0.1933 0.3349-0.0000 ( 4751 PWs) bands (ev): -12.2687 -12.2671 -12.2597 -12.2581 -12.2538 -12.2514 -12.2493 -12.2455 -9.7462 -9.7370 -9.7322 -9.7136 -9.6975 -9.6917 -9.6910 -9.6851 -9.6803 -9.6790 -9.6674 -9.6656 -6.1814 -6.1691 -5.9048 -5.8954 -1.7186 -1.7112 -1.6743 -1.6733 2.3048 2.5485 3.1646 3.1793 3.4964 3.4980 3.7329 3.7486 4.2579 4.4531 4.7302 4.8804 7.3160 7.7164 7.8722 7.9132 8.8109 8.8115 8.9715 9.2049 k = 0.1867 0.3233-0.0000 ( 4747 PWs) bands (ev): -12.2685 -12.2670 -12.2601 -12.2585 -12.2539 -12.2513 -12.2493 -12.2453 -9.7452 -9.7361 -9.7309 -9.7133 -9.6973 -9.6923 -9.6910 -9.6857 -9.6806 -9.6790 -9.6680 -9.6659 -6.2158 -6.2034 -5.9278 -5.9186 -1.6858 -1.6847 -1.6715 -1.6647 2.3290 2.5722 3.2269 3.2388 3.5540 3.5567 3.7429 3.7641 4.3154 4.5198 4.7015 4.8492 7.3015 7.7213 7.8483 7.9064 8.7981 8.8159 8.9650 9.2379 k = 0.1800 0.3118-0.0000 ( 4743 PWs) bands (ev): -12.2684 -12.2669 -12.2605 -12.2589 -12.2539 -12.2512 -12.2494 -12.2452 -9.7441 -9.7351 -9.7295 -9.7130 -9.6971 -9.6929 -9.6911 -9.6862 -9.6809 -9.6790 -9.6686 -9.6661 -6.2502 -6.2379 -5.9514 -5.9424 -1.6979 -1.6963 -1.6240 -1.6174 2.3589 2.6014 3.2894 3.2980 3.6109 3.6147 3.7527 3.7787 4.3711 4.5868 4.6767 4.8186 7.2890 7.7241 7.8214 7.9033 8.7837 8.8251 8.9588 9.2712 k = 0.1733 0.3002-0.0000 ( 4751 PWs) bands (ev): -12.2682 -12.2668 -12.2609 -12.2593 -12.2540 -12.2511 -12.2494 -12.2451 -9.7429 -9.7341 -9.7281 -9.7128 -9.6970 -9.6935 -9.6912 -9.6869 -9.6811 -9.6790 -9.6693 -9.6665 -6.2845 -6.2722 -5.9753 -5.9666 -1.7106 -1.7086 -1.5757 -1.5696 2.3945 2.6360 3.3516 3.3564 3.6668 3.6715 3.7633 3.7928 4.4218 4.6539 4.6593 4.7885 7.2778 7.7240 7.7921 7.9043 8.7686 8.8381 8.9523 9.3049 k = 0.1667 0.2887-0.0000 ( 4757 PWs) bands (ev): -12.2681 -12.2667 -12.2613 -12.2597 -12.2540 -12.2511 -12.2494 -12.2450 -9.7416 -9.7331 -9.7268 -9.7126 -9.6968 -9.6941 -9.6914 -9.6875 -9.6814 -9.6789 -9.6700 -9.6668 -6.3185 -6.3063 -5.9995 -5.9911 -1.7238 -1.7215 -1.5270 -1.5215 2.4358 2.6760 3.4128 3.4132 3.7204 3.7248 3.7769 3.8076 4.4606 4.6561 4.7209 4.7592 7.2673 7.7201 7.7613 7.9098 8.7532 8.8544 8.9453 9.3391 k = 0.1600 0.2771-0.0000 ( 4753 PWs) bands (ev): -12.2679 -12.2666 -12.2617 -12.2602 -12.2540 -12.2510 -12.2494 -12.2449 -9.7403 -9.7321 -9.7254 -9.7125 -9.6967 -9.6947 -9.6915 -9.6881 -9.6815 -9.6789 -9.6706 -9.6671 -6.3520 -6.3401 -6.0239 -6.0158 -1.7376 -1.7349 -1.4782 -1.4732 2.4825 2.7212 3.4676 3.4726 3.7653 3.7689 3.8033 3.8256 4.4787 4.6761 4.7307 4.7879 7.2562 7.7116 7.7302 7.9203 8.7380 8.8732 8.9370 9.3741 k = 0.1533 0.2656-0.0000 ( 4749 PWs) bands (ev): -12.2678 -12.2665 -12.2621 -12.2606 -12.2541 -12.2510 -12.2494 -12.2448 -9.7389 -9.7311 -9.7241 -9.7124 -9.6965 -9.6952 -9.6917 -9.6888 -9.6815 -9.6788 -9.6713 -9.6675 -6.3851 -6.3734 -6.0483 -6.0406 -1.7517 -1.7488 -1.4294 -1.4251 2.5346 2.7716 3.5184 3.5305 3.7871 3.8048 3.8488 3.8546 4.4767 4.7031 4.7188 4.8545 7.2431 7.6981 7.7006 7.9356 8.7233 8.8940 8.9274 9.4100 k = 0.1467 0.2540-0.0000 ( 4751 PWs) bands (ev): -12.2677 -12.2664 -12.2625 -12.2610 -12.2541 -12.2510 -12.2494 -12.2447 -9.7375 -9.7301 -9.7228 -9.7124 -9.6965 -9.6957 -9.6919 -9.6895 -9.6815 -9.6787 -9.6720 -9.6678 -6.4175 -6.4061 -6.0726 -6.0653 -1.7662 -1.7631 -1.3810 -1.3772 2.5919 2.8270 3.5645 3.5860 3.8058 3.8257 3.8966 3.8989 4.4639 4.6766 4.7752 4.9206 7.2261 7.6744 7.6796 7.9555 8.7095 8.9160 8.9160 9.4469 k = 0.1400 0.2425-0.0000 ( 4743 PWs) bands (ev): -12.2675 -12.2663 -12.2629 -12.2614 -12.2541 -12.2510 -12.2493 -12.2446 -9.7360 -9.7290 -9.7216 -9.7124 -9.6964 -9.6961 -9.6922 -9.6902 -9.6814 -9.6786 -9.6726 -9.6682 -6.4491 -6.4381 -6.0967 -6.0898 -1.7810 -1.7776 -1.3330 -1.3299 2.6542 2.8871 3.6044 3.6387 3.8274 3.8408 3.9425 3.9482 4.4471 4.6511 4.8385 4.9857 7.2033 7.6536 7.6561 7.9794 8.6968 8.9033 8.9385 9.4849 k = 0.1333 0.2309-0.0000 ( 4745 PWs) bands (ev): -12.2674 -12.2663 -12.2633 -12.2618 -12.2541 -12.2510 -12.2493 -12.2445 -9.7345 -9.7280 -9.7205 -9.7124 -9.6965 -9.6963 -9.6925 -9.6908 -9.6812 -9.6784 -9.6733 -9.6686 -6.4799 -6.4693 -6.1204 -6.1141 -1.7959 -1.7922 -1.2858 -1.2834 2.7212 2.9518 3.6372 3.6881 3.8536 3.8541 3.9878 3.9957 4.4294 4.6269 4.9055 5.0497 7.1732 7.6278 7.6399 8.0065 8.6857 8.8895 8.9609 9.5240 k = 0.1267 0.2194-0.0000 ( 4747 PWs) bands (ev): -12.2673 -12.2662 -12.2636 -12.2622 -12.2542 -12.2510 -12.2492 -12.2444 -9.7330 -9.7271 -9.7195 -9.7125 -9.6967 -9.6962 -9.6928 -9.6915 -9.6809 -9.6783 -9.6739 -9.6691 -6.5097 -6.4996 -6.1438 -6.1378 -1.8108 -1.8070 -1.2396 -1.2378 2.7927 3.0207 3.6631 3.7341 3.8668 3.8844 4.0313 4.0409 4.4126 4.6039 4.9745 5.1119 7.1350 7.5948 7.6340 8.0360 8.6763 8.8758 8.9826 9.5640 k = 0.1200 0.2078-0.0000 ( 4755 PWs) bands (ev): -12.2672 -12.2662 -12.2639 -12.2626 -12.2542 -12.2511 -12.2491 -12.2443 -9.7316 -9.7261 -9.7187 -9.7127 -9.6968 -9.6961 -9.6931 -9.6922 -9.6805 -9.6781 -9.6745 -9.6695 -6.5385 -6.5288 -6.1666 -6.1611 -1.8256 -1.8218 -1.1945 -1.1934 2.8685 3.0937 3.6830 3.7764 3.8790 3.9188 4.0726 4.0835 4.3977 4.5824 5.0445 5.1720 7.0890 7.5575 7.6358 8.0668 8.6686 8.8634 9.0032 9.6048 k = 0.1133 0.1963-0.0000 ( 4751 PWs) bands (ev): -12.2672 -12.2661 -12.2643 -12.2630 -12.2542 -12.2511 -12.2490 -12.2443 -9.7302 -9.7252 -9.7180 -9.7128 -9.6968 -9.6960 -9.6935 -9.6928 -9.6801 -9.6778 -9.6750 -9.6699 -6.5662 -6.5570 -6.1887 -6.1837 -1.8404 -1.8364 -1.1508 -1.1502 2.9484 3.1704 3.6984 3.8151 3.8905 3.9552 4.1113 4.1233 4.3853 4.5623 5.1145 5.2292 7.0362 7.5161 7.6443 8.0974 8.6626 8.8540 9.0221 9.6457 k = 0.1067 0.1848-0.0000 ( 4759 PWs) bands (ev): -12.2671 -12.2661 -12.2645 -12.2634 -12.2542 -12.2512 -12.2489 -12.2442 -9.7288 -9.7243 -9.7175 -9.7130 -9.6966 -9.6958 -9.6939 -9.6934 -9.6797 -9.6776 -9.6756 -9.6704 -6.5926 -6.5839 -6.2101 -6.2056 -1.8548 -1.8508 -1.1086 -1.1086 3.0318 3.2503 3.7109 3.8505 3.9009 3.9921 4.1472 4.1602 4.3760 4.5437 5.1837 5.2828 6.9781 7.4712 7.6584 8.1263 8.6583 8.8499 9.0390 9.6860 k = 0.1000 0.1732-0.0000 ( 4755 PWs) bands (ev): -12.2671 -12.2661 -12.2648 -12.2637 -12.2541 -12.2512 -12.2488 -12.2442 -9.7275 -9.7234 -9.7171 -9.7132 -9.6964 -9.6956 -9.6943 -9.6939 -9.6792 -9.6773 -9.6761 -9.6709 -6.6178 -6.6096 -6.2307 -6.2266 -1.8689 -1.8650 -1.0687 -1.0682 3.1187 3.3332 3.7213 3.8828 3.9098 4.0283 4.1803 4.1942 4.3699 4.5267 5.2509 5.3321 6.9163 7.4230 7.6767 8.1516 8.6556 8.8531 9.0536 9.7239 k = 0.0933 0.1617-0.0000 ( 4755 PWs) bands (ev): -12.2670 -12.2662 -12.2650 -12.2640 -12.2541 -12.2513 -12.2486 -12.2442 -9.7263 -9.7227 -9.7169 -9.7135 -9.6962 -9.6953 -9.6946 -9.6943 -9.6788 -9.6770 -9.6765 -9.6714 -6.6417 -6.6340 -6.2503 -6.2467 -1.8826 -1.8787 -1.0306 -1.0296 3.2084 3.4185 3.7306 3.9110 3.9185 4.0630 4.2106 4.2250 4.3673 4.5115 5.3151 5.3762 6.8524 7.3723 7.6981 8.1717 8.6547 8.8656 9.0656 9.7552 k = 0.0867 0.1501-0.0000 ( 4761 PWs) bands (ev): -12.2670 -12.2662 -12.2652 -12.2643 -12.2541 -12.2514 -12.2485 -12.2442 -9.7252 -9.7219 -9.7168 -9.7137 -9.6961 -9.6953 -9.6947 -9.6943 -9.6784 -9.6768 -9.6767 -9.6718 -6.6641 -6.6570 -6.2690 -6.2657 -1.8957 -1.8919 -0.9945 -0.9931 3.3007 3.5057 3.7391 3.9195 3.9430 4.0958 4.2380 4.2528 4.3678 4.4979 5.3747 5.4143 6.7884 7.3197 7.7215 8.1850 8.6561 8.8882 9.0746 9.7736 k = 0.0800 0.1386-0.0000 ( 4765 PWs) bands (ev): -12.2670 -12.2663 -12.2653 -12.2646 -12.2540 -12.2514 -12.2483 -12.2442 -9.7242 -9.7213 -9.7168 -9.7140 -9.6963 -9.6956 -9.6944 -9.6940 -9.6782 -9.6768 -9.6764 -9.6723 -6.6851 -6.6785 -6.2866 -6.2837 -1.9081 -1.9045 -0.9605 -0.9588 3.3949 3.5938 3.7474 3.9217 3.9706 4.1262 4.2626 4.2773 4.3712 4.4862 5.4279 5.4455 6.7263 7.2657 7.7460 8.1910 8.6603 8.9211 9.0806 9.7794 k = 0.0733 0.1270-0.0000 ( 4765 PWs) bands (ev): -12.2670 -12.2664 -12.2655 -12.2648 -12.2540 -12.2515 -12.2481 -12.2443 -9.7233 -9.7206 -9.7169 -9.7142 -9.6967 -9.6959 -9.6939 -9.6934 -9.6784 -9.6766 -9.6761 -9.6729 -6.7046 -6.6985 -6.3030 -6.3005 -1.9199 -1.9164 -0.9287 -0.9269 3.4902 3.6817 3.7561 3.9223 3.9981 4.1539 4.2845 4.2987 4.3768 4.4765 5.4689 5.4727 6.6687 7.2112 7.7710 8.1898 8.6678 8.9635 9.0831 9.7793 k = 0.0667 0.1155-0.0000 ( 4761 PWs) bands (ev): -12.2670 -12.2666 -12.2656 -12.2651 -12.2539 -12.2516 -12.2479 -12.2443 -9.7225 -9.7201 -9.7170 -9.7145 -9.6970 -9.6963 -9.6933 -9.6927 -9.6786 -9.6762 -9.6758 -9.6734 -6.7225 -6.7170 -6.3182 -6.3160 -1.9308 -1.9276 -0.8994 -0.8973 3.5849 3.7662 3.7664 3.9235 4.0260 4.1788 4.3037 4.3169 4.3840 4.4688 5.4839 5.5066 6.6181 7.1570 7.7958 8.1823 8.6787 9.0138 9.0822 9.7768 k = 0.0600 0.1039-0.0000 ( 4765 PWs) bands (ev): -12.2670 -12.2667 -12.2656 -12.2653 -12.2538 -12.2517 -12.2478 -12.2444 -9.7219 -9.7196 -9.7172 -9.7147 -9.6974 -9.6966 -9.6926 -9.6921 -9.6789 -9.6758 -9.6756 -9.6739 -6.7388 -6.7338 -6.3322 -6.3303 -1.9410 -1.9379 -0.8725 -0.8704 3.6740 3.7827 3.8377 3.9339 4.0553 4.2006 4.3206 4.3318 4.3920 4.4634 5.4900 5.5273 6.5775 7.1035 7.8199 8.1700 8.6929 9.0702 9.0777 9.7720 k = 0.0533 0.0924-0.0000 ( 4757 PWs) bands (ev): -12.2671 -12.2668 -12.2657 -12.2654 -12.2537 -12.2518 -12.2475 -12.2445 -9.7213 -9.7192 -9.7174 -9.7150 -9.6977 -9.6969 -9.6919 -9.6914 -9.6792 -9.6754 -9.6754 -9.6743 -6.7534 -6.7491 -6.3448 -6.3432 -1.9501 -1.9474 -0.8481 -0.8461 3.7367 3.8252 3.8715 3.9753 4.0884 4.2189 4.3353 4.3435 4.4004 4.4604 5.4870 5.5327 6.5493 7.0515 7.8432 8.1541 8.7101 9.0697 9.1308 9.7638 k = 0.0467 0.0808-0.0000 ( 4761 PWs) bands (ev): -12.2671 -12.2669 -12.2658 -12.2656 -12.2536 -12.2520 -12.2473 -12.2446 -9.7209 -9.7188 -9.7176 -9.7152 -9.6980 -9.6973 -9.6912 -9.6907 -9.6794 -9.6754 -9.6750 -9.6746 -6.7664 -6.7626 -6.3561 -6.3547 -1.9584 -1.9559 -0.8265 -0.8245 3.7612 3.8752 3.9047 4.0337 4.1303 4.2337 4.3482 4.3525 4.4087 4.4599 5.4751 5.5225 6.5348 7.0012 7.8654 8.1358 8.7300 9.0584 9.1937 9.7508 k = 0.0400 0.0693-0.0000 ( 4765 PWs) bands (ev): -12.2671 -12.2670 -12.2658 -12.2657 -12.2535 -12.2521 -12.2471 -12.2448 -9.7205 -9.7185 -9.7178 -9.7155 -9.6982 -9.6975 -9.6905 -9.6901 -9.6796 -9.6758 -9.6747 -9.6745 -6.7777 -6.7744 -6.3659 -6.3648 -1.9656 -1.9634 -0.8075 -0.8056 3.7731 3.8706 3.9942 4.0808 4.1860 4.2445 4.3590 4.3594 4.4170 4.4618 5.4551 5.4979 6.5339 6.9530 7.8864 8.1162 8.7521 9.0440 9.2569 9.7328 k = 0.0333 0.0577-0.0000 ( 4773 PWs) bands (ev): -12.2672 -12.2671 -12.2659 -12.2658 -12.2534 -12.2522 -12.2469 -12.2449 -9.7202 -9.7183 -9.7179 -9.7157 -9.6984 -9.6978 -9.6898 -9.6895 -9.6797 -9.6763 -9.6744 -9.6743 -6.7872 -6.7845 -6.3743 -6.3734 -1.9717 -1.9698 -0.7913 -0.7897 3.7821 3.8634 4.0823 4.1149 4.2479 4.2511 4.3639 4.3694 4.4260 4.4660 5.4286 5.4622 6.5448 6.9067 7.9065 8.0960 8.7762 9.0267 9.3187 9.7110 k = 0.0267 0.0462-0.0000 ( 4761 PWs) bands (ev): -12.2672 -12.2672 -12.2660 -12.2659 -12.2533 -12.2523 -12.2467 -12.2451 -9.7199 -9.7184 -9.7177 -9.7160 -9.6985 -9.6980 -9.6892 -9.6890 -9.6797 -9.6769 -9.6742 -9.6741 -6.7950 -6.7929 -6.3812 -6.3805 -1.9767 -1.9752 -0.7780 -0.7766 3.7902 3.8553 4.1422 4.1642 4.2539 4.3030 4.3677 4.3783 4.4382 4.4724 5.3976 5.4202 6.5653 6.8623 7.9256 8.0757 8.8017 9.0069 9.3776 9.6866 k = 0.0200 0.0346-0.0000 ( 4765 PWs) bands (ev): -12.2672 -12.2672 -12.2660 -12.2660 -12.2532 -12.2525 -12.2464 -12.2452 -9.7197 -9.7186 -9.7175 -9.7162 -9.6986 -9.6982 -9.6887 -9.6886 -9.6796 -9.6774 -9.6740 -9.6740 -6.8010 -6.7994 -6.3865 -6.3860 -1.9806 -1.9795 -0.7675 -0.7664 3.7979 3.8469 4.1657 4.2314 4.2574 4.3406 4.3706 4.3854 4.4576 4.4812 5.3655 5.3777 6.5928 6.8195 7.9442 8.0556 8.8282 8.9849 9.4323 9.6601 k = 0.0133 0.0231-0.0000 ( 4769 PWs) bands (ev): -12.2672 -12.2672 -12.2660 -12.2660 -12.2531 -12.2526 -12.2462 -12.2454 -9.7195 -9.7188 -9.7173 -9.7164 -9.6986 -9.6984 -9.6884 -9.6883 -9.6795 -9.6779 -9.6739 -9.6739 -6.8053 -6.8042 -6.3904 -6.3900 -1.9833 -1.9826 -0.7599 -0.7592 3.8057 3.8383 4.1864 4.2414 4.3003 4.3598 4.3726 4.3877 4.4820 4.4920 5.3363 5.3410 6.6252 6.7780 7.9623 8.0361 8.8553 8.9611 9.4819 9.6315 k = 0.0067 0.0115-0.0000 ( 4773 PWs) bands (ev): -12.2673 -12.2673 -12.2661 -12.2661 -12.2530 -12.2527 -12.2460 -12.2456 -9.7193 -9.7189 -9.7171 -9.7167 -9.6986 -9.6985 -9.6881 -9.6881 -9.6792 -9.6784 -9.6738 -9.6738 -6.8077 -6.8072 -6.3926 -6.3925 -1.9849 -1.9845 -0.7553 -0.7549 3.8136 3.8299 4.2047 4.2328 4.3419 4.3684 4.3734 4.3828 4.5010 4.5025 5.3153 5.3163 6.6607 6.7376 7.9803 8.0171 8.8826 8.9359 9.5263 9.6002 k = 0.0000 0.0000 0.0000 ( 4769 PWs) bands (ev): -12.2673 -12.2673 -12.2661 -12.2661 -12.2528 -12.2528 -12.2458 -12.2458 -9.7191 -9.7191 -9.7169 -9.7169 -9.6986 -9.6986 -9.6881 -9.6881 -9.6789 -9.6789 -9.6738 -9.6738 -6.8083 -6.8083 -6.3933 -6.3933 -1.9853 -1.9853 -0.7537 -0.7537 3.8216 3.8216 4.2202 4.2202 4.3680 4.3680 4.3728 4.3728 4.5075 4.5075 5.3076 5.3076 6.6985 6.6985 7.9985 7.9985 8.9096 8.9096 9.5655 9.5655 k = 0.0000 0.0000 0.0000 ( 4769 PWs) bands (ev): -12.2673 -12.2673 -12.2661 -12.2661 -12.2528 -12.2528 -12.2458 -12.2458 -9.7191 -9.7191 -9.7169 -9.7169 -9.6986 -9.6986 -9.6881 -9.6881 -9.6789 -9.6789 -9.6738 -9.6738 -6.8083 -6.8083 -6.3933 -6.3933 -1.9853 -1.9853 -0.7537 -0.7537 3.8216 3.8216 4.2202 4.2202 4.3680 4.3680 4.3728 4.3728 4.5075 4.5075 5.3076 5.3076 6.6985 6.6985 7.9985 7.9985 8.9096 8.9096 9.5655 9.5655 k = 0.0000 0.0000 0.0133 ( 4769 PWs) bands (ev): -12.2673 -12.2673 -12.2661 -12.2661 -12.2528 -12.2528 -12.2458 -12.2458 -9.7191 -9.7191 -9.7169 -9.7169 -9.6985 -9.6985 -9.6880 -9.6880 -9.6789 -9.6789 -9.6738 -9.6738 -6.8077 -6.8077 -6.3942 -6.3942 -1.9833 -1.9833 -0.7560 -0.7560 3.8235 3.8235 4.2209 4.2209 4.3675 4.3675 4.3730 4.3730 4.5073 4.5073 5.3039 5.3039 6.7025 6.7025 7.9973 7.9973 8.9100 8.9100 9.5633 9.5633 k = 0.0000 0.0000 0.0267 ( 4769 PWs) bands (ev): -12.2672 -12.2672 -12.2661 -12.2661 -12.2528 -12.2528 -12.2459 -12.2459 -9.7191 -9.7191 -9.7169 -9.7169 -9.6984 -9.6984 -9.6880 -9.6880 -9.6790 -9.6790 -9.6739 -9.6739 -6.8059 -6.8059 -6.3967 -6.3967 -1.9773 -1.9773 -0.7630 -0.7630 3.8293 3.8293 4.2227 4.2227 4.3662 4.3662 4.3737 4.3737 4.5066 4.5066 5.2928 5.2928 6.7146 6.7146 7.9934 7.9934 8.9111 8.9111 9.5571 9.5571 k = 0.0000 0.0000 0.0400 ( 4751 PWs) bands (ev): -12.2672 -12.2672 -12.2661 -12.2661 -12.2527 -12.2527 -12.2459 -12.2459 -9.7191 -9.7191 -9.7169 -9.7169 -9.6983 -9.6983 -9.6878 -9.6878 -9.6792 -9.6792 -9.6740 -9.6740 -6.8029 -6.8029 -6.4008 -6.4008 -1.9674 -1.9674 -0.7745 -0.7745 3.8387 3.8387 4.2259 4.2259 4.3639 4.3639 4.3749 4.3749 4.5055 4.5055 5.2749 5.2749 6.7342 6.7342 7.9871 7.9871 8.9130 8.9130 9.5467 9.5467 k = 0.0000 0.0000 0.0533 ( 4757 PWs) bands (ev): -12.2672 -12.2672 -12.2661 -12.2661 -12.2526 -12.2526 -12.2460 -12.2460 -9.7190 -9.7190 -9.7169 -9.7169 -9.6981 -9.6981 -9.6877 -9.6877 -9.6794 -9.6794 -9.6742 -9.6742 -6.7987 -6.7987 -6.4066 -6.4066 -1.9536 -1.9536 -0.7905 -0.7905 3.8517 3.8517 4.2304 4.2304 4.3607 4.3607 4.3765 4.3765 4.5040 4.5040 5.2506 5.2506 6.7607 6.7607 7.9781 7.9781 8.9157 8.9157 9.5325 9.5325 k = 0.0000 0.0000 0.0667 ( 4721 PWs) bands (ev): -12.2672 -12.2672 -12.2661 -12.2661 -12.2525 -12.2525 -12.2461 -12.2461 -9.7190 -9.7190 -9.7169 -9.7169 -9.6978 -9.6978 -9.6875 -9.6875 -9.6797 -9.6797 -9.6744 -9.6744 -6.7932 -6.7932 -6.4138 -6.4138 -1.9360 -1.9360 -0.8108 -0.8108 3.8681 3.8681 4.2363 4.2363 4.3566 4.3566 4.3786 4.3786 4.5020 4.5020 5.2207 5.2207 6.7935 6.7935 7.9665 7.9665 8.9193 8.9193 9.5146 9.5146 k = 0.0000 0.0000 0.0800 ( 4727 PWs) bands (ev): -12.2672 -12.2672 -12.2661 -12.2661 -12.2524 -12.2524 -12.2462 -12.2462 -9.7189 -9.7189 -9.7169 -9.7169 -9.6975 -9.6975 -9.6872 -9.6872 -9.6801 -9.6801 -9.6746 -9.6746 -6.7867 -6.7867 -6.4226 -6.4226 -1.9147 -1.9147 -0.8352 -0.8352 3.8876 3.8876 4.2436 4.2436 4.3517 4.3517 4.3811 4.3811 4.4996 4.4996 5.1859 5.1859 6.8316 6.8316 7.9523 7.9523 8.9239 8.9239 9.4934 9.4934 k = 0.0000 0.0000 0.0933 ( 4727 PWs) bands (ev): -12.2672 -12.2672 -12.2662 -12.2662 -12.2522 -12.2522 -12.2464 -12.2464 -9.7189 -9.7189 -9.7169 -9.7169 -9.6971 -9.6971 -9.6869 -9.6869 -9.6805 -9.6805 -9.6749 -9.6749 -6.7790 -6.7790 -6.4327 -6.4327 -1.8899 -1.8899 -0.8635 -0.8635 3.9099 3.9099 4.2525 4.2525 4.3459 4.3459 4.3840 4.3840 4.4969 4.4969 5.1471 5.1471 6.8743 6.8743 7.9353 7.9353 8.9294 8.9294 9.4691 9.4691 k = 0.0000 0.0000 0.1066 ( 4721 PWs) bands (ev): -12.2671 -12.2671 -12.2662 -12.2662 -12.2521 -12.2521 -12.2465 -12.2465 -9.7188 -9.7188 -9.7170 -9.7170 -9.6966 -9.6966 -9.6866 -9.6866 -9.6810 -9.6810 -9.6753 -9.6753 -6.7703 -6.7703 -6.4440 -6.4440 -1.8617 -1.8617 -0.8953 -0.8953 3.9346 3.9346 4.2632 4.2632 4.3392 4.3392 4.3873 4.3873 4.4937 4.4937 5.1049 5.1049 6.9208 6.9208 7.9156 7.9156 8.9360 8.9360 9.4423 9.4423 k = 0.0000 0.0000 0.1200 ( 4720 PWs) bands (ev): -12.2671 -12.2671 -12.2662 -12.2662 -12.2519 -12.2519 -12.2467 -12.2467 -9.7187 -9.7187 -9.7170 -9.7170 -9.6961 -9.6961 -9.6862 -9.6862 -9.6816 -9.6816 -9.6757 -9.6757 -6.7604 -6.7604 -6.4565 -6.4565 -1.8304 -1.8304 -0.9305 -0.9305 3.9611 3.9611 4.2758 4.2758 4.3318 4.3318 4.3910 4.3910 4.4902 4.4902 5.0599 5.0599 6.9704 6.9704 7.8931 7.8931 8.9438 8.9438 9.4133 9.4133 k = 0.0000 0.0000 0.1333 ( 4726 PWs) bands (ev): -12.2671 -12.2671 -12.2662 -12.2662 -12.2517 -12.2517 -12.2469 -12.2469 -9.7186 -9.7186 -9.7170 -9.7170 -9.6956 -9.6956 -9.6858 -9.6858 -9.6822 -9.6822 -9.6761 -9.6761 -6.7496 -6.7496 -6.4701 -6.4701 -1.7960 -1.7960 -0.9686 -0.9686 3.9891 3.9891 4.2906 4.2906 4.3235 4.3235 4.3950 4.3950 4.4863 4.4863 5.0129 5.0129 7.0224 7.0224 7.8676 7.8676 8.9529 8.9529 9.3827 9.3827 k = 0.0000 0.0000 0.1466 ( 4714 PWs) bands (ev): -12.2670 -12.2670 -12.2663 -12.2663 -12.2514 -12.2514 -12.2471 -12.2471 -9.7185 -9.7185 -9.7171 -9.7171 -9.6950 -9.6950 -9.6853 -9.6853 -9.6828 -9.6828 -9.6765 -9.6765 -6.7378 -6.7378 -6.4846 -6.4846 -1.7589 -1.7589 -1.0095 -1.0095 4.0178 4.0178 4.3080 4.3080 4.3144 4.3144 4.3993 4.3993 4.4822 4.4822 4.9642 4.9642 7.0761 7.0761 7.8394 7.8394 8.9633 8.9633 9.3510 9.3510 k = 0.0000 0.0000 0.1600 ( 4732 PWs) bands (ev): -12.2670 -12.2670 -12.2663 -12.2663 -12.2512 -12.2512 -12.2473 -12.2473 -9.7185 -9.7185 -9.7171 -9.7171 -9.6943 -9.6943 -9.6848 -9.6848 -9.6835 -9.6835 -9.6770 -9.6770 -6.7252 -6.7252 -6.4998 -6.4998 -1.7193 -1.7193 -1.0527 -1.0527 4.0467 4.0467 4.3046 4.3046 4.3282 4.3282 4.4039 4.4039 4.4777 4.4777 4.9144 4.9144 7.1311 7.1311 7.8082 7.8082 8.9753 8.9753 9.3186 9.3186 k = 0.0000 0.0000 0.1733 ( 4732 PWs) bands (ev): -12.2669 -12.2669 -12.2664 -12.2664 -12.2509 -12.2509 -12.2476 -12.2476 -9.7184 -9.7184 -9.7172 -9.7172 -9.6936 -9.6936 -9.6843 -9.6843 -9.6842 -9.6842 -9.6775 -9.6775 -6.7116 -6.7116 -6.5157 -6.5157 -1.6774 -1.6774 -1.0979 -1.0979 4.0749 4.0749 4.2939 4.2939 4.3518 4.3518 4.4088 4.4088 4.4730 4.4730 4.8639 4.8639 7.1868 7.1868 7.7740 7.7740 8.9888 8.9888 9.2860 9.2860 k = 0.0000 0.0000 0.1866 ( 4744 PWs) bands (ev): -12.2669 -12.2669 -12.2664 -12.2664 -12.2507 -12.2507 -12.2478 -12.2478 -9.7183 -9.7183 -9.7173 -9.7173 -9.6929 -9.6929 -9.6849 -9.6849 -9.6838 -9.6838 -9.6781 -9.6781 -6.6974 -6.6974 -6.5321 -6.5321 -1.6334 -1.6334 -1.1448 -1.1448 4.1021 4.1021 4.2824 4.2824 4.3790 4.3790 4.4139 4.4139 4.4680 4.4680 4.8131 4.8131 7.2428 7.2428 7.7371 7.7371 9.0040 9.0040 9.2536 9.2536 k = 0.0000 0.0000 0.2000 ( 4744 PWs) bands (ev): -12.2669 -12.2669 -12.2664 -12.2664 -12.2504 -12.2504 -12.2481 -12.2481 -9.7182 -9.7182 -9.7173 -9.7173 -9.6922 -9.6922 -9.6857 -9.6857 -9.6832 -9.6832 -9.6786 -9.6786 -6.6824 -6.6824 -6.5489 -6.5489 -1.5877 -1.5877 -1.1930 -1.1930 4.1276 4.1276 4.2701 4.2701 4.4099 4.4099 4.4191 4.4191 4.4629 4.4629 4.7624 4.7624 7.2987 7.2987 7.6973 7.6973 9.0210 9.0210 9.2219 9.2219 k = 0.0000 0.0000 0.2133 ( 4756 PWs) bands (ev): -12.2668 -12.2668 -12.2665 -12.2665 -12.2501 -12.2501 -12.2484 -12.2484 -9.7181 -9.7181 -9.7174 -9.7174 -9.6914 -9.6914 -9.6865 -9.6865 -9.6827 -9.6827 -9.6792 -9.6792 -6.6668 -6.6668 -6.5659 -6.5659 -1.5404 -1.5404 -1.2423 -1.2423 4.1512 4.1512 4.2569 4.2569 4.4245 4.4245 4.4446 4.4446 4.4576 4.4576 4.7122 4.7122 7.3540 7.3540 7.6548 7.6548 9.0398 9.0398 9.1911 9.1911 k = 0.0000 0.0000 0.2266 ( 4756 PWs) bands (ev): -12.2668 -12.2668 -12.2665 -12.2665 -12.2498 -12.2498 -12.2487 -12.2487 -9.7180 -9.7180 -9.7175 -9.7175 -9.6906 -9.6906 -9.6873 -9.6873 -9.6821 -9.6821 -9.6798 -9.6798 -6.6507 -6.6507 -6.5831 -6.5831 -1.4920 -1.4920 -1.2922 -1.2922 4.1728 4.1728 4.2427 4.2427 4.4300 4.4300 4.4522 4.4522 4.4829 4.4829 4.6628 4.6628 7.4083 7.4083 7.6098 7.6098 9.0605 9.0605 9.1617 9.1617 k = 0.0000 0.0000 0.2400 ( 4744 PWs) bands (ev): -12.2668 -12.2668 -12.2665 -12.2665 -12.2496 -12.2496 -12.2489 -12.2489 -9.7179 -9.7179 -9.7176 -9.7176 -9.6898 -9.6898 -9.6881 -9.6881 -9.6815 -9.6815 -9.6803 -9.6803 -6.6342 -6.6342 -6.6003 -6.6003 -1.4427 -1.4427 -1.3424 -1.3424 4.1926 4.1926 4.2273 4.2273 4.4355 4.4355 4.4467 4.4467 4.5243 4.5243 4.6148 4.6148 7.4614 7.4614 7.5624 7.5624 9.0831 9.0831 9.1338 9.1338 k = 0.0000 0.0000 0.2533 ( 4750 PWs) bands (ev): -12.2667 -12.2667 -12.2665 -12.2665 -12.2493 -12.2493 -12.2491 -12.2491 -9.7178 -9.7178 -9.7176 -9.7176 -9.6891 -9.6891 -9.6889 -9.6889 -9.6810 -9.6810 -9.6808 -9.6808 -6.6175 -6.6175 -6.6172 -6.6172 -1.3927 -1.3927 -1.3927 -1.3927 4.2106 4.2106 4.2108 4.2108 4.4409 4.4409 4.4413 4.4413 4.5683 4.5683 4.5685 4.5685 7.5128 7.5128 7.5129 7.5129 9.1075 9.1075 9.1075 9.1075 k = 0.0000 0.0000 0.2533 ( 4750 PWs) bands (ev): -12.2667 -12.2667 -12.2665 -12.2665 -12.2493 -12.2493 -12.2491 -12.2491 -9.7178 -9.7178 -9.7176 -9.7176 -9.6891 -9.6891 -9.6889 -9.6889 -9.6810 -9.6810 -9.6808 -9.6808 -6.6175 -6.6175 -6.6172 -6.6172 -1.3927 -1.3927 -1.3927 -1.3927 4.2106 4.2106 4.2108 4.2108 4.4409 4.4409 4.4413 4.4413 4.5683 4.5683 4.5685 4.5685 7.5128 7.5128 7.5129 7.5129 9.1075 9.1075 9.1075 9.1075 k = 0.0116 0.0067 0.2533 ( 4752 PWs) bands (ev): -12.2667 -12.2667 -12.2665 -12.2665 -12.2495 -12.2493 -12.2492 -12.2490 -9.7180 -9.7178 -9.7176 -9.7174 -9.6893 -9.6891 -9.6888 -9.6886 -9.6810 -9.6810 -9.6809 -9.6809 -6.6168 -6.6165 -6.6165 -6.6162 -1.3929 -1.3929 -1.3929 -1.3929 4.1874 4.1877 4.2129 4.2132 4.4269 4.4272 4.4290 4.4293 4.5843 4.5844 4.5925 4.5926 7.5002 7.5003 7.5258 7.5259 9.1003 9.1004 9.1142 9.1143 k = 0.0233 0.0134 0.2533 ( 4750 PWs) bands (ev): -12.2667 -12.2667 -12.2665 -12.2665 -12.2497 -12.2495 -12.2490 -12.2488 -9.7182 -9.7180 -9.7174 -9.7172 -9.6895 -9.6893 -9.6886 -9.6884 -9.6811 -9.6811 -9.6809 -9.6809 -6.6144 -6.6141 -6.6137 -6.6134 -1.3935 -1.3935 -1.3935 -1.3934 4.1457 4.1459 4.1943 4.1946 4.3997 4.3999 4.4082 4.4085 4.6274 4.6276 4.6374 4.6375 7.4883 7.4884 7.5388 7.5389 9.0930 9.0931 9.1202 9.1203 k = 0.0349 0.0201 0.2533 ( 4754 PWs) bands (ev): -12.2667 -12.2667 -12.2665 -12.2665 -12.2499 -12.2497 -12.2489 -12.2487 -9.7184 -9.7182 -9.7172 -9.7170 -9.6898 -9.6896 -9.6883 -9.6881 -9.6812 -9.6812 -9.6810 -9.6810 -6.6102 -6.6099 -6.6092 -6.6089 -1.3945 -1.3945 -1.3945 -1.3944 4.0897 4.0899 4.1567 4.1570 4.3750 4.3752 4.3893 4.3895 4.6799 4.6801 4.6881 4.6882 7.4775 7.4776 7.5516 7.5517 9.0857 9.0857 9.1252 9.1253 k = 0.0465 0.0269 0.2533 ( 4762 PWs) bands (ev): -12.2667 -12.2666 -12.2664 -12.2664 -12.2500 -12.2498 -12.2487 -12.2485 -9.7187 -9.7185 -9.7170 -9.7168 -9.6900 -9.6898 -9.6881 -9.6879 -9.6814 -9.6813 -9.6812 -9.6811 -6.6043 -6.6040 -6.6029 -6.6026 -1.3960 -1.3959 -1.3959 -1.3959 4.0244 4.0245 4.1052 4.1054 4.3550 4.3553 4.3727 4.3729 4.7345 4.7347 4.7393 4.7394 7.4680 7.4681 7.5638 7.5638 9.0787 9.0787 9.1290 9.1290 k = 0.0581 0.0336 0.2533 ( 4758 PWs) bands (ev): -12.2666 -12.2666 -12.2664 -12.2664 -12.2502 -12.2500 -12.2486 -12.2484 -9.7189 -9.7187 -9.7168 -9.7166 -9.6902 -9.6900 -9.6879 -9.6877 -9.6816 -9.6815 -9.6814 -9.6813 -6.5968 -6.5965 -6.5950 -6.5947 -1.3979 -1.3978 -1.3978 -1.3978 3.9533 3.9535 4.0450 4.0452 4.3377 4.3380 4.3571 4.3574 4.7879 4.7880 4.7888 4.7889 7.4601 7.4602 7.5749 7.5750 9.0722 9.0723 9.1311 9.1311 k = 0.0698 0.0403 0.2533 ( 4762 PWs) bands (ev): -12.2665 -12.2665 -12.2663 -12.2663 -12.2504 -12.2502 -12.2484 -12.2483 -9.7192 -9.7190 -9.7166 -9.7164 -9.6903 -9.6901 -9.6876 -9.6875 -9.6819 -9.6817 -9.6816 -9.6814 -6.5875 -6.5872 -6.5854 -6.5851 -1.4003 -1.4003 -1.4002 -1.4002 3.8790 3.8791 3.9797 3.9799 4.3211 4.3214 4.3415 4.3418 4.8353 4.8354 4.8380 4.8382 7.4541 7.4542 7.5848 7.5849 9.0667 9.0667 9.1313 9.1313 k = 0.0814 0.0470 0.2533 ( 4760 PWs) bands (ev): -12.2665 -12.2664 -12.2663 -12.2662 -12.2505 -12.2503 -12.2483 -12.2481 -9.7195 -9.7193 -9.7164 -9.7162 -9.6905 -9.6903 -9.6875 -9.6873 -9.6821 -9.6819 -9.6817 -9.6815 -6.5766 -6.5763 -6.5741 -6.5738 -1.4032 -1.4032 -1.4032 -1.4031 3.8030 3.8031 3.9118 3.9120 4.3040 4.3043 4.3251 4.3254 4.8780 4.8782 4.8838 4.8840 7.4503 7.4504 7.5930 7.5931 9.0624 9.0625 9.1292 9.1293 k = 0.0930 0.0537 0.2533 ( 4752 PWs) bands (ev): -12.2664 -12.2663 -12.2662 -12.2661 -12.2507 -12.2505 -12.2482 -12.2480 -9.7199 -9.7197 -9.7162 -9.7160 -9.6906 -9.6904 -9.6873 -9.6872 -9.6824 -9.6822 -9.6818 -9.6816 -6.5641 -6.5638 -6.5612 -6.5609 -1.4068 -1.4067 -1.4067 -1.4067 3.7263 3.7265 3.8426 3.8428 4.2860 4.2863 4.3078 4.3081 4.9163 4.9164 4.9242 4.9244 7.4488 7.4489 7.5993 7.5994 9.0598 9.0599 9.1247 9.1247 k = 0.1047 0.0604 0.2533 ( 4756 PWs) bands (ev): -12.2663 -12.2662 -12.2661 -12.2660 -12.2508 -12.2506 -12.2481 -12.2479 -9.7204 -9.7202 -9.7160 -9.7158 -9.6907 -9.6905 -9.6873 -9.6871 -9.6826 -9.6824 -9.6819 -9.6817 -6.5501 -6.5498 -6.5467 -6.5464 -1.4111 -1.4110 -1.4109 -1.4109 3.6499 3.6500 3.7730 3.7732 4.2668 4.2671 4.2893 4.2896 4.9496 4.9497 4.9585 4.9587 7.4498 7.4499 7.6035 7.6035 9.0593 9.0593 9.1176 9.1177 k = 0.1163 0.0671 0.2533 ( 4752 PWs) bands (ev): -12.2662 -12.2661 -12.2660 -12.2659 -12.2510 -12.2508 -12.2480 -12.2478 -9.7209 -9.7207 -9.7159 -9.7157 -9.6908 -9.6906 -9.6873 -9.6871 -9.6827 -9.6825 -9.6819 -9.6817 -6.5345 -6.5341 -6.5307 -6.5304 -1.4160 -1.4160 -1.4159 -1.4158 3.5742 3.5743 3.7038 3.7040 4.2463 4.2466 4.2695 4.2698 4.9776 4.9777 4.9861 4.9863 7.4534 7.4535 7.6054 7.6055 9.0611 9.0611 9.1081 9.1081 k = 0.1279 0.0738 0.2533 ( 4756 PWs) bands (ev): -12.2661 -12.2660 -12.2659 -12.2658 -12.2511 -12.2509 -12.2479 -12.2477 -9.7215 -9.7213 -9.7157 -9.7155 -9.6909 -9.6907 -9.6875 -9.6873 -9.6828 -9.6826 -9.6819 -9.6817 -6.5174 -6.5171 -6.5132 -6.5129 -1.4218 -1.4218 -1.4216 -1.4215 3.4998 3.4999 3.6355 3.6357 4.2246 4.2249 4.2487 4.2490 4.9998 5.0000 5.0067 5.0069 7.4596 7.4597 7.6051 7.6051 9.0655 9.0655 9.0963 9.0964 k = 0.1395 0.0806 0.2533 ( 4764 PWs) bands (ev): -12.2660 -12.2658 -12.2658 -12.2656 -12.2512 -12.2510 -12.2479 -12.2477 -9.7221 -9.7219 -9.7157 -9.7155 -9.6910 -9.6908 -9.6877 -9.6875 -9.6827 -9.6825 -9.6818 -9.6816 -6.4989 -6.4986 -6.4942 -6.4939 -1.4285 -1.4284 -1.4282 -1.4281 3.4271 3.4273 3.5685 3.5687 4.2017 4.2020 4.2267 4.2270 5.0162 5.0163 5.0199 5.0201 7.4683 7.4684 7.6026 7.6026 9.0726 9.0727 9.0827 9.0827 k = 0.1512 0.0873 0.2533 ( 4760 PWs) bands (ev): -12.2659 -12.2657 -12.2657 -12.2655 -12.2513 -12.2511 -12.2478 -12.2476 -9.7228 -9.7226 -9.7157 -9.7155 -9.6911 -9.6909 -9.6881 -9.6879 -9.6825 -9.6824 -9.6816 -9.6814 -6.4790 -6.4787 -6.4739 -6.4736 -1.4361 -1.4361 -1.4357 -1.4356 3.3565 3.3567 3.5032 3.5034 4.1778 4.1782 4.2038 4.2041 5.0258 5.0259 5.0264 5.0265 7.4794 7.4794 7.5981 7.5981 9.0677 9.0678 9.0824 9.0825 k = 0.1628 0.0940 0.2533 ( 4756 PWs) bands (ev): -12.2658 -12.2656 -12.2656 -12.2653 -12.2514 -12.2512 -12.2478 -12.2476 -9.7236 -9.7234 -9.7157 -9.7155 -9.6912 -9.6910 -9.6885 -9.6883 -9.6823 -9.6821 -9.6813 -9.6811 -6.4578 -6.4575 -6.4522 -6.4519 -1.4448 -1.4447 -1.4441 -1.4441 3.2884 3.2886 3.4400 3.4402 4.1531 4.1534 4.1800 4.1803 5.0242 5.0243 5.0304 5.0306 7.4925 7.4925 7.5920 7.5920 9.0520 9.0520 9.0947 9.0948 k = 0.1744 0.1007 0.2533 ( 4752 PWs) bands (ev): -12.2657 -12.2655 -12.2654 -12.2652 -12.2515 -12.2513 -12.2477 -12.2475 -9.7244 -9.7242 -9.7159 -9.7157 -9.6913 -9.6911 -9.6889 -9.6887 -9.6820 -9.6818 -9.6809 -9.6807 -6.4354 -6.4351 -6.4294 -6.4290 -1.4545 -1.4544 -1.4537 -1.4536 3.2230 3.2232 3.3792 3.3794 4.1275 4.1278 4.1555 4.1558 5.0154 5.0156 5.0283 5.0284 7.5073 7.5073 7.5845 7.5846 9.0360 9.0360 9.1092 9.1092 k = 0.1860 0.1074 0.2533 ( 4752 PWs) bands (ev): -12.2656 -12.2654 -12.2652 -12.2650 -12.2515 -12.2513 -12.2477 -12.2475 -9.7253 -9.7251 -9.7161 -9.7159 -9.6914 -9.6912 -9.6893 -9.6891 -9.6816 -9.6814 -9.6805 -9.6803 -6.4119 -6.4115 -6.4053 -6.4050 -1.4653 -1.4653 -1.4643 -1.4643 3.1607 3.1609 3.3210 3.3212 4.1013 4.1016 4.1304 4.1307 4.9998 4.9999 5.0200 5.0201 7.5233 7.5233 7.5762 7.5762 9.0203 9.0203 9.1252 9.1253 k = 0.1977 0.1141 0.2533 ( 4746 PWs) bands (ev): -12.2655 -12.2653 -12.2651 -12.2649 -12.2516 -12.2514 -12.2477 -12.2475 -9.7263 -9.7261 -9.7165 -9.7163 -9.6915 -9.6913 -9.6897 -9.6895 -9.6811 -9.6809 -9.6800 -9.6798 -6.3872 -6.3869 -6.3802 -6.3799 -1.4774 -1.4773 -1.4761 -1.4761 3.1017 3.1018 3.2658 3.2660 4.0747 4.0750 4.1049 4.1052 4.9776 4.9778 5.0057 5.0059 7.5402 7.5402 7.5673 7.5673 9.0053 9.0053 9.1422 9.1423 k = 0.2093 0.1208 0.2533 ( 4756 PWs) bands (ev): -12.2654 -12.2652 -12.2649 -12.2647 -12.2516 -12.2514 -12.2477 -12.2475 -9.7273 -9.7271 -9.7169 -9.7167 -9.6916 -9.6914 -9.6901 -9.6899 -9.6806 -9.6804 -9.6794 -9.6792 -6.3617 -6.3613 -6.3542 -6.3539 -1.4906 -1.4906 -1.4891 -1.4890 3.0462 3.0463 3.2136 3.2138 4.0477 4.0480 4.0791 4.0794 4.9495 4.9497 4.9857 4.9859 7.5573 7.5573 7.5583 7.5583 8.9913 8.9913 9.1596 9.1597 k = 0.2209 0.1276 0.2533 ( 4756 PWs) bands (ev): -12.2653 -12.2651 -12.2648 -12.2646 -12.2516 -12.2514 -12.2477 -12.2475 -9.7283 -9.7281 -9.7175 -9.7173 -9.6916 -9.6915 -9.6904 -9.6902 -9.6801 -9.6799 -9.6787 -9.6785 -6.3352 -6.3349 -6.3273 -6.3270 -1.5051 -1.5050 -1.5033 -1.5032 2.9944 2.9946 3.1648 3.1650 4.0205 4.0208 4.0531 4.0534 4.9160 4.9161 4.9603 4.9605 7.5494 7.5495 7.5744 7.5744 8.9785 8.9785 9.1767 9.1767 k = 0.2326 0.1343 0.2533 ( 4760 PWs) bands (ev): -12.2652 -12.2650 -12.2646 -12.2644 -12.2516 -12.2514 -12.2477 -12.2475 -9.7293 -9.7291 -9.7182 -9.7181 -9.6917 -9.6915 -9.6906 -9.6904 -9.6795 -9.6793 -9.6780 -9.6778 -6.3080 -6.3076 -6.2996 -6.2993 -1.5208 -1.5208 -1.5187 -1.5186 2.9465 2.9467 3.1195 3.1197 3.9933 3.9935 4.0271 4.0274 4.8776 4.8778 4.9298 4.9300 7.5411 7.5411 7.5908 7.5908 8.9671 8.9672 9.1927 9.1927 k = 0.2442 0.1410 0.2533 ( 4752 PWs) bands (ev): -12.2651 -12.2649 -12.2645 -12.2643 -12.2516 -12.2514 -12.2478 -12.2476 -9.7304 -9.7302 -9.7191 -9.7189 -9.6918 -9.6916 -9.6908 -9.6906 -9.6789 -9.6787 -9.6773 -9.6771 -6.2801 -6.2797 -6.2714 -6.2710 -1.5378 -1.5377 -1.5353 -1.5352 2.9027 2.9029 3.0778 3.0780 3.9661 3.9664 4.0012 4.0015 4.8350 4.8352 4.8947 4.8949 7.5334 7.5334 7.6063 7.6063 8.9572 8.9572 9.2071 9.2071 k = 0.2558 0.1477 0.2533 ( 4752 PWs) bands (ev): -12.2650 -12.2648 -12.2643 -12.2641 -12.2515 -12.2513 -12.2478 -12.2476 -9.7314 -9.7312 -9.7200 -9.7198 -9.6919 -9.6917 -9.6910 -9.6908 -9.6783 -9.6781 -9.6765 -9.6763 -6.2516 -6.2513 -6.2426 -6.2422 -1.5559 -1.5558 -1.5531 -1.5530 2.8631 2.8633 3.0398 3.0400 3.9391 3.9394 3.9755 3.9758 4.7888 4.7889 4.8554 4.8555 7.5266 7.5266 7.6204 7.6205 8.9487 8.9487 9.2193 9.2194 k = 0.2674 0.1544 0.2533 ( 4756 PWs) bands (ev): -12.2649 -12.2647 -12.2642 -12.2640 -12.2515 -12.2513 -12.2478 -12.2477 -9.7325 -9.7323 -9.7210 -9.7208 -9.6920 -9.6918 -9.6911 -9.6909 -9.6776 -9.6774 -9.6757 -9.6755 -6.2228 -6.2225 -6.2134 -6.2131 -1.5751 -1.5751 -1.5719 -1.5718 2.8277 2.8279 3.0057 3.0058 3.9124 3.9127 3.9503 3.9505 4.7395 4.7397 4.8123 4.8125 7.5207 7.5207 7.6331 7.6331 8.9415 8.9415 9.2290 9.2291 k = 0.2791 0.1611 0.2533 ( 4752 PWs) bands (ev): -12.2649 -12.2647 -12.2641 -12.2639 -12.2514 -12.2512 -12.2479 -12.2477 -9.7335 -9.7333 -9.7221 -9.7219 -9.6920 -9.6918 -9.6912 -9.6910 -9.6769 -9.6767 -9.6749 -9.6747 -6.1937 -6.1934 -6.1841 -6.1837 -1.5954 -1.5953 -1.5918 -1.5917 2.7967 2.7968 2.9753 2.9755 3.8862 3.8865 3.9254 3.9257 4.6878 4.6880 4.7660 4.7662 7.5158 7.5159 7.6440 7.6440 8.9356 8.9356 9.2359 9.2359 k = 0.2907 0.1678 0.2533 ( 4746 PWs) bands (ev): -12.2648 -12.2646 -12.2639 -12.2637 -12.2513 -12.2511 -12.2479 -12.2477 -9.7345 -9.7343 -9.7233 -9.7231 -9.6921 -9.6919 -9.6912 -9.6910 -9.6761 -9.6759 -9.6741 -9.6739 -6.1645 -6.1642 -6.1547 -6.1543 -1.6165 -1.6165 -1.6126 -1.6125 2.7700 2.7701 2.9488 2.9490 3.8605 3.8608 3.9012 3.9015 4.6343 4.6345 4.7170 4.7172 7.5120 7.5120 7.6530 7.6531 8.9308 8.9308 9.2398 9.2398 k = 0.3023 0.1745 0.2533 ( 4742 PWs) bands (ev): -12.2647 -12.2645 -12.2638 -12.2636 -12.2512 -12.2510 -12.2480 -12.2478 -9.7354 -9.7353 -9.7245 -9.7243 -9.6921 -9.6919 -9.6912 -9.6910 -9.6754 -9.6752 -9.6732 -9.6730 -6.1354 -6.1350 -6.1253 -6.1250 -1.6384 -1.6384 -1.6341 -1.6340 2.7476 2.7477 2.9260 2.9262 3.8354 3.8357 3.8776 3.8779 4.5795 4.5797 4.6658 4.6660 7.5092 7.5092 7.6602 7.6602 8.9271 8.9272 9.2406 9.2407 k = 0.3140 0.1813 0.2533 ( 4736 PWs) bands (ev): -12.2647 -12.2645 -12.2637 -12.2635 -12.2511 -12.2509 -12.2481 -12.2479 -9.7364 -9.7362 -9.7258 -9.7256 -9.6922 -9.6920 -9.6912 -9.6910 -9.6746 -9.6744 -9.6724 -9.6722 -6.1064 -6.1060 -6.0963 -6.0959 -1.6609 -1.6608 -1.6563 -1.6562 2.7294 2.7296 2.9069 2.9071 3.8111 3.8114 3.8548 3.8551 4.5240 4.5241 4.6129 4.6130 7.5074 7.5075 7.6655 7.6655 8.9244 8.9245 9.2385 9.2385 k = 0.3256 0.1880 0.2533 ( 4748 PWs) bands (ev): -12.2646 -12.2644 -12.2636 -12.2634 -12.2510 -12.2508 -12.2481 -12.2479 -9.7372 -9.7371 -9.7270 -9.7268 -9.6922 -9.6920 -9.6912 -9.6910 -9.6738 -9.6736 -9.6716 -9.6714 -6.0778 -6.0775 -6.0677 -6.0673 -1.6838 -1.6837 -1.6789 -1.6788 2.7155 2.7156 2.8914 2.8916 3.7876 3.7879 3.8328 3.8331 4.4682 4.4684 4.5587 4.5589 7.5066 7.5067 7.6690 7.6690 8.9226 8.9227 9.2335 9.2335 k = 0.3372 0.1947 0.2533 ( 4748 PWs) bands (ev): -12.2646 -12.2644 -12.2636 -12.2634 -12.2509 -12.2507 -12.2482 -12.2480 -9.7381 -9.7379 -9.7283 -9.7281 -9.6922 -9.6920 -9.6912 -9.6910 -9.6731 -9.6729 -9.6709 -9.6707 -6.0497 -6.0494 -6.0397 -6.0394 -1.7069 -1.7068 -1.7017 -1.7016 2.7056 2.7057 2.8792 2.8794 3.7650 3.7653 3.8117 3.8120 4.4129 4.4130 4.5038 4.5040 7.5068 7.5069 7.6706 7.6707 8.9217 8.9217 9.2259 9.2260 k = 0.3488 0.2014 0.2533 ( 4744 PWs) bands (ev): -12.2645 -12.2643 -12.2635 -12.2633 -12.2508 -12.2506 -12.2483 -12.2481 -9.7388 -9.7386 -9.7296 -9.7294 -9.6922 -9.6920 -9.6912 -9.6910 -9.6723 -9.6721 -9.6701 -9.6700 -6.0224 -6.0221 -6.0125 -6.0122 -1.7299 -1.7298 -1.7245 -1.7245 2.6995 2.6997 2.8701 2.8702 3.7435 3.7437 3.7916 3.7919 4.3583 4.3585 4.4487 4.4489 7.5079 7.5079 7.6707 7.6707 8.9216 8.9216 9.2160 9.2160 k = 0.3605 0.2081 0.2533 ( 4740 PWs) bands (ev): -12.2644 -12.2642 -12.2635 -12.2633 -12.2506 -12.2505 -12.2483 -12.2481 -9.7395 -9.7393 -9.7308 -9.7306 -9.6922 -9.6920 -9.6912 -9.6910 -9.6716 -9.6714 -9.6695 -9.6693 -5.9960 -5.9957 -5.9864 -5.9860 -1.7526 -1.7525 -1.7472 -1.7471 2.6972 2.6974 2.8637 2.8639 3.7230 3.7233 3.7725 3.7728 4.3052 4.3054 4.3939 4.3941 7.5098 7.5099 7.6692 7.6692 8.9223 8.9224 9.2040 9.2040 k = 0.3721 0.2148 0.2533 ( 4736 PWs) bands (ev): -12.2644 -12.2642 -12.2634 -12.2632 -12.2505 -12.2503 -12.2484 -12.2482 -9.7402 -9.7400 -9.7320 -9.7318 -9.6921 -9.6920 -9.6912 -9.6910 -9.6708 -9.6706 -9.6688 -9.6686 -5.9707 -5.9704 -5.9614 -5.9611 -1.7748 -1.7747 -1.7693 -1.7692 2.6984 2.6985 2.8599 2.8600 3.7038 3.7041 3.7545 3.7548 4.2540 4.2542 4.3399 4.3401 7.5126 7.5126 7.6663 7.6663 8.9239 8.9239 9.1902 9.1903 k = 0.3837 0.2215 0.2533 ( 4746 PWs) bands (ev): -12.2643 -12.2641 -12.2634 -12.2632 -12.2504 -12.2502 -12.2485 -12.2483 -9.7407 -9.7405 -9.7332 -9.7330 -9.6921 -9.6919 -9.6912 -9.6910 -9.6702 -9.6700 -9.6682 -9.6680 -5.9468 -5.9464 -5.9379 -5.9376 -1.7961 -1.7960 -1.7907 -1.7906 2.7027 2.7028 2.8580 2.8581 3.6860 3.6862 3.7375 3.7378 4.2052 4.2054 4.2872 4.2873 7.5161 7.5161 7.6621 7.6621 8.9264 8.9264 9.1750 9.1751 k = 0.3953 0.2283 0.2533 ( 4746 PWs) bands (ev): -12.2643 -12.2641 -12.2634 -12.2632 -12.2503 -12.2501 -12.2485 -12.2483 -9.7412 -9.7410 -9.7343 -9.7341 -9.6921 -9.6919 -9.6912 -9.6910 -9.6695 -9.6693 -9.6677 -9.6675 -5.9243 -5.9239 -5.9160 -5.9156 -1.8164 -1.8163 -1.8111 -1.8111 2.7099 2.7100 2.8576 2.8578 3.6696 3.6699 3.7215 3.7218 4.1594 4.1596 4.2363 4.2364 7.5203 7.5204 7.6569 7.6569 8.9298 8.9298 9.1588 9.1589 k = 0.4070 0.2350 0.2533 ( 4740 PWs) bands (ev): -12.2642 -12.2640 -12.2634 -12.2632 -12.2501 -12.2499 -12.2486 -12.2484 -9.7416 -9.7414 -9.7354 -9.7352 -9.6920 -9.6918 -9.6912 -9.6910 -9.6689 -9.6687 -9.6672 -9.6670 -5.9035 -5.9031 -5.8958 -5.8954 -1.8353 -1.8352 -1.8303 -1.8302 2.7196 2.7197 2.8582 2.8584 3.6549 3.6552 3.7066 3.7069 4.1171 4.1173 4.1878 4.1880 7.5253 7.5253 7.6506 7.6507 8.9341 8.9342 9.1418 9.1418 k = 0.4186 0.2417 0.2533 ( 4748 PWs) bands (ev): -12.2641 -12.2639 -12.2634 -12.2632 -12.2500 -12.2498 -12.2487 -12.2485 -9.7419 -9.7417 -9.7364 -9.7362 -9.6920 -9.6918 -9.6912 -9.6910 -9.6683 -9.6681 -9.6668 -9.6666 -5.8845 -5.8842 -5.8776 -5.8772 -1.8526 -1.8525 -1.8480 -1.8479 2.7314 2.7315 2.8592 2.8593 3.6422 3.6424 3.6926 3.6929 4.0788 4.0790 4.1423 4.1425 7.5308 7.5309 7.6436 7.6437 8.9395 8.9396 9.1243 9.1244 k = 0.4302 0.2484 0.2533 ( 4748 PWs) bands (ev): -12.2641 -12.2639 -12.2634 -12.2632 -12.2499 -12.2497 -12.2488 -12.2486 -9.7421 -9.7419 -9.7374 -9.7372 -9.6919 -9.6917 -9.6912 -9.6910 -9.6678 -9.6676 -9.6665 -9.6663 -5.8677 -5.8673 -5.8615 -5.8612 -1.8680 -1.8680 -1.8639 -1.8638 2.7449 2.7450 2.8599 2.8601 3.6316 3.6318 3.6796 3.6799 4.0450 4.0452 4.1005 4.1006 7.5370 7.5371 7.6360 7.6360 8.9460 8.9461 9.1066 9.1067 k = 0.4419 0.2551 0.2533 ( 4750 PWs) bands (ev): -12.2640 -12.2638 -12.2634 -12.2632 -12.2498 -12.2496 -12.2488 -12.2486 -9.7422 -9.7420 -9.7382 -9.7380 -9.6919 -9.6917 -9.6913 -9.6911 -9.6673 -9.6671 -9.6662 -9.6660 -5.8530 -5.8526 -5.8477 -5.8474 -1.8815 -1.8814 -1.8779 -1.8778 2.7595 2.7597 2.8598 2.8599 3.6233 3.6236 3.6675 3.6677 4.0162 4.0164 4.0629 4.0631 7.5437 7.5438 7.6278 7.6279 8.9537 8.9537 9.0890 9.0891 k = 0.4535 0.2618 0.2533 ( 4752 PWs) bands (ev): -12.2639 -12.2638 -12.2635 -12.2633 -12.2497 -12.2495 -12.2489 -12.2487 -9.7422 -9.7420 -9.7390 -9.7388 -9.6918 -9.6916 -9.6913 -9.6911 -9.6669 -9.6667 -9.6660 -9.6658 -5.8406 -5.8403 -5.8363 -5.8360 -1.8927 -1.8926 -1.8897 -1.8896 2.7748 2.7749 2.8582 2.8584 3.6176 3.6179 3.6562 3.6564 3.9928 3.9929 4.0303 4.0305 7.5510 7.5510 7.6193 7.6193 8.9625 8.9625 9.0717 9.0718 k = 0.4651 0.2685 0.2533 ( 4752 PWs) bands (ev): -12.2639 -12.2637 -12.2635 -12.2633 -12.2496 -12.2494 -12.2490 -12.2488 -9.7421 -9.7419 -9.7397 -9.7396 -9.6917 -9.6915 -9.6914 -9.6912 -9.6665 -9.6663 -9.6658 -9.6656 -5.8308 -5.8304 -5.8275 -5.8271 -1.9014 -1.9013 -1.8991 -1.8990 2.7901 2.7903 2.8548 2.8550 3.6147 3.6149 3.6457 3.6460 3.9751 3.9753 4.0032 4.0034 7.5587 7.5587 7.6105 7.6106 8.9724 8.9724 9.0549 9.0550 k = 0.4767 0.2752 0.2533 ( 4756 PWs) bands (ev): -12.2638 -12.2636 -12.2636 -12.2634 -12.2495 -12.2493 -12.2491 -12.2489 -9.7420 -9.7418 -9.7404 -9.7402 -9.6917 -9.6915 -9.6914 -9.6912 -9.6662 -9.6660 -9.6658 -9.6656 -5.8235 -5.8231 -5.8213 -5.8209 -1.9077 -1.9076 -1.9061 -1.9060 2.8050 2.8051 2.8491 2.8493 3.6144 3.6147 3.6363 3.6366 3.9635 3.9637 3.9822 3.9823 7.5668 7.5668 7.6016 7.6017 8.9835 8.9836 9.0388 9.0389 k = 0.4884 0.2820 0.2533 ( 4748 PWs) bands (ev): -12.2638 -12.2636 -12.2636 -12.2634 -12.2494 -12.2492 -12.2492 -12.2490 -9.7417 -9.7415 -9.7409 -9.7407 -9.6916 -9.6915 -9.6914 -9.6913 -9.6660 -9.6658 -9.6658 -9.6656 -5.8189 -5.8185 -5.8177 -5.8174 -1.9113 -1.9112 -1.9105 -1.9104 2.8188 2.8189 2.8412 2.8413 3.6168 3.6171 3.6281 3.6284 3.9582 3.9584 3.9675 3.9677 7.5752 7.5752 7.5927 7.5927 8.9958 8.9958 9.0235 9.0235 k = 0.5000 0.2887 0.2533 ( 4748 PWs) bands (ev): -12.2637 -12.2637 -12.2635 -12.2635 -12.2493 -12.2493 -12.2491 -12.2491 -9.7414 -9.7414 -9.7412 -9.7412 -9.6915 -9.6915 -9.6913 -9.6913 -9.6658 -9.6658 -9.6657 -9.6657 -5.8169 -5.8169 -5.8166 -5.8166 -1.9123 -1.9123 -1.9122 -1.9122 2.8310 2.8310 2.8311 2.8311 3.6215 3.6215 3.6217 3.6217 3.9595 3.9595 3.9597 3.9597 7.5839 7.5839 7.5839 7.5839 9.0091 9.0091 9.0092 9.0092 k = 0.5000 0.2887 0.2533 ( 4748 PWs) bands (ev): -12.2637 -12.2637 -12.2635 -12.2635 -12.2493 -12.2493 -12.2491 -12.2491 -9.7414 -9.7414 -9.7412 -9.7412 -9.6915 -9.6915 -9.6913 -9.6913 -9.6658 -9.6658 -9.6657 -9.6657 -5.8169 -5.8169 -5.8166 -5.8166 -1.9123 -1.9123 -1.9122 -1.9122 2.8310 2.8310 2.8311 2.8311 3.6215 3.6215 3.6217 3.6217 3.9595 3.9595 3.9597 3.9597 7.5839 7.5839 7.5839 7.5839 9.0091 9.0091 9.0092 9.0092 k = 0.4933 0.3002 0.2533 ( 4752 PWs) bands (ev): -12.2642 -12.2640 -12.2632 -12.2630 -12.2495 -12.2493 -12.2491 -12.2489 -9.7421 -9.7419 -9.7406 -9.7404 -9.6919 -9.6917 -9.6911 -9.6910 -9.6660 -9.6658 -9.6657 -9.6655 -5.8170 -5.8166 -5.8161 -5.8158 -1.9124 -1.9123 -1.9122 -1.9121 2.8147 2.8147 2.8446 2.8447 3.6032 3.6035 3.6329 3.6332 3.9426 3.9428 3.9835 3.9837 7.5556 7.5556 7.6137 7.6137 8.9636 8.9636 9.0519 9.0519 k = 0.4867 0.3118 0.2533 ( 4744 PWs) bands (ev): -12.2646 -12.2644 -12.2627 -12.2625 -12.2497 -12.2495 -12.2489 -12.2487 -9.7429 -9.7427 -9.7397 -9.7396 -9.6922 -9.6920 -9.6908 -9.6906 -9.6663 -9.6661 -9.6657 -9.6655 -5.8163 -5.8159 -5.8145 -5.8141 -1.9125 -1.9125 -1.9122 -1.9121 2.7956 2.7956 2.8555 2.8555 3.5801 3.5804 3.6360 3.6362 3.9348 3.9350 4.0118 4.0120 7.5284 7.5284 7.6455 7.6455 8.9165 8.9166 9.0905 9.0905 k = 0.4800 0.3233 0.2533 ( 4748 PWs) bands (ev): -12.2651 -12.2649 -12.2622 -12.2620 -12.2499 -12.2497 -12.2487 -12.2485 -9.7436 -9.7434 -9.7389 -9.7387 -9.6925 -9.6923 -9.6903 -9.6902 -9.6666 -9.6664 -9.6657 -9.6655 -5.8147 -5.8144 -5.8121 -5.8118 -1.9128 -1.9127 -1.9123 -1.9122 2.7736 2.7736 2.8635 2.8635 3.5540 3.5542 3.6310 3.6312 3.9368 3.9370 4.0423 4.0424 7.5014 7.5014 7.6794 7.6794 8.8689 8.8690 9.1235 9.1235 k = 0.4733 0.3349 0.2533 ( 4740 PWs) bands (ev): -12.2655 -12.2653 -12.2616 -12.2614 -12.2501 -12.2499 -12.2485 -12.2483 -9.7442 -9.7440 -9.7381 -9.7379 -9.6928 -9.6926 -9.6899 -9.6897 -9.6669 -9.6667 -9.6657 -9.6655 -5.8125 -5.8121 -5.8090 -5.8087 -1.9131 -1.9130 -1.9124 -1.9124 2.7487 2.7488 2.8683 2.8684 3.5263 3.5265 3.6201 3.6204 3.9471 3.9472 4.0732 4.0733 7.4738 7.4739 7.7150 7.7151 8.8216 8.8217 9.1496 9.1496 k = 0.4667 0.3464 0.2533 ( 4736 PWs) bands (ev): -12.2659 -12.2657 -12.2611 -12.2609 -12.2503 -12.2501 -12.2484 -12.2482 -9.7448 -9.7446 -9.7373 -9.7372 -9.6930 -9.6929 -9.6895 -9.6893 -9.6673 -9.6671 -9.6658 -9.6656 -5.8095 -5.8092 -5.8052 -5.8048 -1.9135 -1.9134 -1.9127 -1.9126 2.7210 2.7211 2.8698 2.8698 3.4983 3.4985 3.6066 3.6068 3.9631 3.9633 4.1033 4.1035 7.4448 7.4448 7.7519 7.7519 8.7754 8.7755 9.1686 9.1686 k = 0.4600 0.3580 0.2533 ( 4740 PWs) bands (ev): -12.2663 -12.2661 -12.2606 -12.2604 -12.2506 -12.2504 -12.2482 -12.2480 -9.7453 -9.7451 -9.7366 -9.7364 -9.6932 -9.6930 -9.6891 -9.6889 -9.6677 -9.6675 -9.6660 -9.6658 -5.8059 -5.8055 -5.8007 -5.8003 -1.9140 -1.9139 -1.9130 -1.9129 2.6906 2.6906 2.8674 2.8674 3.4713 3.4715 3.5931 3.5932 3.9825 3.9826 4.1319 4.1320 7.4136 7.4136 7.7889 7.7889 8.7312 8.7312 9.1816 9.1817 k = 0.4533 0.3695 0.2533 ( 4742 PWs) bands (ev): -12.2667 -12.2665 -12.2601 -12.2599 -12.2508 -12.2506 -12.2481 -12.2479 -9.7458 -9.7456 -9.7359 -9.7357 -9.6934 -9.6932 -9.6887 -9.6885 -9.6681 -9.6679 -9.6662 -9.6660 -5.8015 -5.8012 -5.7955 -5.7952 -1.9146 -1.9146 -1.9135 -1.9134 2.6576 2.6576 2.8607 2.8607 3.4467 3.4469 3.5814 3.5816 4.0034 4.0036 4.1582 4.1584 7.3796 7.3797 7.8245 7.8246 8.6900 8.6901 9.1913 9.1914 k = 0.4467 0.3811 0.2533 ( 4754 PWs) bands (ev): -12.2670 -12.2668 -12.2596 -12.2594 -12.2510 -12.2508 -12.2480 -12.2478 -9.7462 -9.7460 -9.7353 -9.7351 -9.6935 -9.6933 -9.6883 -9.6881 -9.6686 -9.6684 -9.6665 -9.6663 -5.7966 -5.7963 -5.7898 -5.7895 -1.9154 -1.9153 -1.9141 -1.9140 2.6224 2.6225 2.8493 2.8493 3.4256 3.4258 3.5728 3.5729 4.0246 4.0247 4.1818 4.1820 7.3427 7.3427 7.8566 7.8566 8.6538 8.6538 9.2008 9.2009 k = 0.4400 0.3926 0.2533 ( 4770 PWs) bands (ev): -12.2673 -12.2671 -12.2591 -12.2589 -12.2511 -12.2509 -12.2479 -12.2477 -9.7466 -9.7464 -9.7347 -9.7345 -9.6935 -9.6933 -9.6879 -9.6877 -9.6691 -9.6689 -9.6668 -9.6666 -5.7912 -5.7908 -5.7836 -5.7832 -1.9163 -1.9163 -1.9149 -1.9148 2.5855 2.5855 2.8331 2.8331 3.4091 3.4093 3.5676 3.5677 4.0452 4.0453 4.2025 4.2026 7.3027 7.3028 7.8825 7.8825 8.6247 8.6247 9.2128 9.2129 k = 0.4333 0.4041 0.2533 ( 4766 PWs) bands (ev): -12.2676 -12.2674 -12.2587 -12.2585 -12.2513 -12.2511 -12.2478 -12.2476 -9.7468 -9.7466 -9.7342 -9.7340 -9.6935 -9.6933 -9.6875 -9.6873 -9.6696 -9.6694 -9.6672 -9.6670 -5.7853 -5.7849 -5.7769 -5.7766 -1.9174 -1.9174 -1.9158 -1.9157 2.5473 2.5474 2.8123 2.8123 3.3978 3.3979 3.5660 3.5661 4.0645 4.0646 4.2199 4.2200 7.2601 7.2602 7.8994 7.8994 8.6054 8.6055 9.2289 9.2290 k = 0.4267 0.4157 0.2533 ( 4762 PWs) bands (ev): -12.2679 -12.2677 -12.2583 -12.2581 -12.2514 -12.2512 -12.2477 -12.2475 -9.7470 -9.7469 -9.7338 -9.7336 -9.6934 -9.6932 -9.6871 -9.6870 -9.6701 -9.6699 -9.6676 -9.6674 -5.7790 -5.7786 -5.7699 -5.7695 -1.9187 -1.9187 -1.9169 -1.9168 2.5084 2.5085 2.7874 2.7875 3.3918 3.3919 3.5680 3.5681 4.0821 4.0822 4.2339 4.2340 7.2155 7.2155 7.9049 7.9050 8.5981 8.5982 9.2498 9.2499 k = 0.4200 0.4272 0.2533 ( 4762 PWs) bands (ev): -12.2681 -12.2679 -12.2579 -12.2577 -12.2515 -12.2513 -12.2477 -12.2475 -9.7472 -9.7470 -9.7335 -9.7333 -9.6932 -9.6930 -9.6868 -9.6866 -9.6706 -9.6704 -9.6680 -9.6678 -5.7724 -5.7720 -5.7625 -5.7622 -1.9202 -1.9202 -1.9182 -1.9182 2.4695 2.4695 2.7594 2.7595 3.3909 3.3910 3.5733 3.5735 4.0977 4.0978 4.2443 4.2444 7.1695 7.1695 7.8983 7.8984 8.6038 8.6038 9.2751 9.2752 k = 0.4133 0.4388 0.2533 ( 4766 PWs) bands (ev): -12.2683 -12.2681 -12.2576 -12.2574 -12.2516 -12.2514 -12.2476 -12.2475 -9.7473 -9.7471 -9.7332 -9.7331 -9.6930 -9.6928 -9.6865 -9.6863 -9.6710 -9.6708 -9.6684 -9.6682 -5.7655 -5.7652 -5.7550 -5.7547 -1.9219 -1.9218 -1.9198 -1.9197 2.4309 2.4310 2.7292 2.7293 3.3945 3.3946 3.5819 3.5820 4.1109 4.1111 4.2510 4.2512 7.1230 7.1230 7.8806 7.8806 8.6212 8.6212 9.3040 9.3041 k = 0.4067 0.4503 0.2533 ( 4762 PWs) bands (ev): -12.2685 -12.2683 -12.2573 -12.2571 -12.2516 -12.2514 -12.2476 -12.2474 -9.7473 -9.7471 -9.7331 -9.7329 -9.6928 -9.6926 -9.6862 -9.6860 -9.6715 -9.6713 -9.6688 -9.6686 -5.7586 -5.7582 -5.7474 -5.7470 -1.9238 -1.9237 -1.9215 -1.9214 2.3934 2.3934 2.6978 2.6979 3.4020 3.4022 3.5933 3.5934 4.1217 4.1219 4.2541 4.2543 7.0768 7.0769 7.8542 7.8542 8.6478 8.6479 9.3354 9.3355 k = 0.4000 0.4619 0.2533 ( 4758 PWs) bands (ev): -12.2686 -12.2684 -12.2571 -12.2569 -12.2516 -12.2514 -12.2476 -12.2474 -9.7473 -9.7471 -9.7331 -9.7329 -9.6925 -9.6923 -9.6859 -9.6857 -9.6719 -9.6717 -9.6693 -9.6691 -5.7516 -5.7512 -5.7398 -5.7394 -1.9259 -1.9258 -1.9233 -1.9233 2.3574 2.3575 2.6663 2.6664 3.4128 3.4129 3.6073 3.6074 4.1299 4.1300 4.2535 4.2537 7.0320 7.0321 7.8221 7.8221 8.6805 8.6806 9.3679 9.3680 k = 0.3933 0.4734 0.2533 ( 4762 PWs) bands (ev): -12.2688 -12.2686 -12.2570 -12.2568 -12.2515 -12.2513 -12.2476 -12.2474 -9.7472 -9.7470 -9.7331 -9.7329 -9.6922 -9.6920 -9.6856 -9.6854 -9.6722 -9.6720 -9.6697 -9.6695 -5.7446 -5.7443 -5.7323 -5.7320 -1.9281 -1.9280 -1.9254 -1.9253 2.3234 2.3235 2.6355 2.6356 3.4261 3.4262 3.6236 3.6237 4.1354 4.1356 4.2493 4.2495 6.9893 6.9894 7.7872 7.7872 8.7163 8.7163 9.4003 9.4004 k = 0.3867 0.4850 0.2533 ( 4758 PWs) bands (ev): -12.2689 -12.2687 -12.2569 -12.2567 -12.2515 -12.2513 -12.2476 -12.2474 -9.7471 -9.7469 -9.7332 -9.7330 -9.6919 -9.6917 -9.6854 -9.6852 -9.6726 -9.6724 -9.6701 -9.6699 -5.7379 -5.7376 -5.7251 -5.7248 -1.9304 -1.9304 -1.9276 -1.9275 2.2919 2.2919 2.6062 2.6063 3.4413 3.4414 3.6418 3.6419 4.1383 4.1385 4.2417 4.2419 6.9495 6.9495 7.7518 7.7518 8.7525 8.7526 9.4315 9.4316 k = 0.3800 0.4965 0.2533 ( 4754 PWs) bands (ev): -12.2690 -12.2688 -12.2568 -12.2566 -12.2513 -12.2511 -12.2476 -12.2474 -9.7470 -9.7468 -9.7334 -9.7332 -9.6917 -9.6915 -9.6851 -9.6850 -9.6729 -9.6727 -9.6704 -9.6703 -5.7315 -5.7312 -5.7183 -5.7179 -1.9329 -1.9328 -1.9298 -1.9297 2.2632 2.2632 2.5790 2.5791 3.4578 3.4579 3.6615 3.6616 4.1387 4.1389 4.2310 4.2311 6.9132 6.9132 7.7177 7.7177 8.7873 8.7874 9.4606 9.4607 k = 0.3733 0.5081 0.2533 ( 4758 PWs) bands (ev): -12.2690 -12.2689 -12.2568 -12.2566 -12.2512 -12.2510 -12.2476 -12.2474 -9.7469 -9.7467 -9.7336 -9.7334 -9.6914 -9.6912 -9.6849 -9.6848 -9.6731 -9.6729 -9.6708 -9.6706 -5.7256 -5.7252 -5.7119 -5.7116 -1.9353 -1.9352 -1.9320 -1.9320 2.2376 2.2377 2.5545 2.5546 3.4748 3.4749 3.6821 3.6823 4.1368 4.1370 4.2175 4.2177 6.8810 6.8811 7.6863 7.6863 8.8191 8.8192 9.4867 9.4868 k = 0.3667 0.5196 0.2533 ( 4758 PWs) bands (ev): -12.2691 -12.2689 -12.2567 -12.2566 -12.2511 -12.2509 -12.2477 -12.2475 -9.7467 -9.7465 -9.7338 -9.7336 -9.6912 -9.6910 -9.6848 -9.6846 -9.6733 -9.6731 -9.6710 -9.6709 -5.7202 -5.7198 -5.7062 -5.7058 -1.9376 -1.9375 -1.9342 -1.9341 2.2156 2.2156 2.5331 2.5332 3.4916 3.4917 3.7032 3.7033 4.1331 4.1333 4.2021 4.2022 6.8534 6.8534 7.6585 7.6585 8.8469 8.8470 9.5093 9.5095 k = 0.3600 0.5312 0.2533 ( 4756 PWs) bands (ev): -12.2692 -12.2690 -12.2567 -12.2566 -12.2510 -12.2508 -12.2477 -12.2475 -9.7466 -9.7464 -9.7340 -9.7338 -9.6910 -9.6908 -9.6846 -9.6844 -9.6735 -9.6733 -9.6713 -9.6711 -5.7155 -5.7151 -5.7012 -5.7009 -1.9398 -1.9397 -1.9362 -1.9362 2.1972 2.1973 2.5152 2.5153 3.5075 3.5076 3.7239 3.7240 4.1279 4.1281 4.1855 4.1857 6.8306 6.8307 7.6352 7.6352 8.8699 8.8700 9.5280 9.5282 k = 0.3533 0.5427 0.2533 ( 4750 PWs) bands (ev): -12.2692 -12.2690 -12.2568 -12.2566 -12.2509 -12.2507 -12.2477 -12.2475 -9.7464 -9.7463 -9.7342 -9.7340 -9.6909 -9.6907 -9.6845 -9.6843 -9.6736 -9.6734 -9.6714 -9.6712 -5.7116 -5.7112 -5.6972 -5.6968 -1.9416 -1.9416 -1.9380 -1.9380 2.1827 2.1828 2.5009 2.5010 3.5216 3.5217 3.7430 3.7431 4.1220 4.1221 4.1694 4.1696 6.8129 6.8130 7.6167 7.6167 8.8878 8.8879 9.5425 9.5427 k = 0.3467 0.5543 0.2533 ( 4744 PWs) bands (ev): -12.2692 -12.2690 -12.2568 -12.2566 -12.2508 -12.2506 -12.2477 -12.2475 -9.7463 -9.7462 -9.7343 -9.7342 -9.6908 -9.6906 -9.6844 -9.6842 -9.6736 -9.6735 -9.6715 -9.6714 -5.7087 -5.7083 -5.6941 -5.6937 -1.9431 -1.9431 -1.9394 -1.9394 2.1723 2.1724 2.4906 2.4907 3.5328 3.5329 3.7591 3.7592 4.1159 4.1160 4.1556 4.1558 6.8003 6.8004 7.6034 7.6034 8.9005 8.9005 9.5528 9.5529 k = 0.3400 0.5658 0.2533 ( 4746 PWs) bands (ev): -12.2692 -12.2690 -12.2568 -12.2566 -12.2507 -12.2505 -12.2477 -12.2475 -9.7463 -9.7461 -9.7344 -9.7343 -9.6908 -9.6906 -9.6843 -9.6841 -9.6737 -9.6735 -9.6716 -9.6714 -5.7068 -5.7065 -5.6922 -5.6918 -1.9441 -1.9441 -1.9404 -1.9403 2.1660 2.1661 2.4843 2.4844 3.5402 3.5403 3.7703 3.7704 4.1108 4.1109 4.1463 4.1465 6.7929 6.7930 7.5954 7.5955 8.9079 8.9080 9.5588 9.5589 k = 0.3333 0.5774 0.2533 ( 4746 PWs) bands (ev): -12.2692 -12.2690 -12.2568 -12.2566 -12.2507 -12.2505 -12.2477 -12.2475 -9.7463 -9.7461 -9.7345 -9.7343 -9.6908 -9.6906 -9.6843 -9.6841 -9.6737 -9.6735 -9.6716 -9.6714 -5.7062 -5.7058 -5.6915 -5.6911 -1.9445 -1.9444 -1.9407 -1.9407 2.1639 2.1640 2.4822 2.4823 3.5429 3.5430 3.7744 3.7745 4.1085 4.1087 4.1430 4.1432 6.7905 6.7905 7.5928 7.5928 8.9103 8.9104 9.5607 9.5609 k = 0.3333 0.5774 0.2533 ( 4746 PWs) bands (ev): -12.2692 -12.2690 -12.2568 -12.2566 -12.2507 -12.2505 -12.2477 -12.2475 -9.7463 -9.7461 -9.7345 -9.7343 -9.6908 -9.6906 -9.6843 -9.6841 -9.6737 -9.6735 -9.6716 -9.6714 -5.7062 -5.7058 -5.6915 -5.6911 -1.9445 -1.9444 -1.9407 -1.9407 2.1639 2.1640 2.4822 2.4823 3.5429 3.5430 3.7744 3.7745 4.1085 4.1087 4.1430 4.1432 6.7905 6.7905 7.5928 7.5928 8.9103 8.9104 9.5607 9.5609 k = 0.3267 0.5658 0.2533 ( 4750 PWs) bands (ev): -12.2692 -12.2690 -12.2568 -12.2566 -12.2507 -12.2505 -12.2477 -12.2475 -9.7463 -9.7461 -9.7344 -9.7343 -9.6908 -9.6906 -9.6843 -9.6841 -9.6737 -9.6735 -9.6716 -9.6714 -5.7069 -5.7065 -5.6922 -5.6918 -1.9441 -1.9440 -1.9403 -1.9403 2.1660 2.1661 2.4843 2.4844 3.5400 3.5401 3.7699 3.7700 4.1114 4.1116 4.1464 4.1465 6.7928 6.7929 7.5954 7.5954 8.9080 8.9081 9.5589 9.5590 k = 0.3200 0.5543 0.2533 ( 4750 PWs) bands (ev): -12.2692 -12.2690 -12.2568 -12.2566 -12.2508 -12.2506 -12.2477 -12.2475 -9.7463 -9.7462 -9.7343 -9.7341 -9.6908 -9.6906 -9.6844 -9.6842 -9.6737 -9.6735 -9.6716 -9.6714 -5.7090 -5.7086 -5.6944 -5.6940 -1.9428 -1.9427 -1.9391 -1.9390 2.1723 2.1724 2.4906 2.4908 3.5313 3.5314 3.7564 3.7565 4.1208 4.1209 4.1564 4.1566 6.7997 6.7998 7.6031 7.6031 8.9013 8.9014 9.5536 9.5538 k = 0.3133 0.5427 0.2533 ( 4744 PWs) bands (ev): -12.2692 -12.2690 -12.2567 -12.2566 -12.2508 -12.2506 -12.2477 -12.2475 -9.7464 -9.7462 -9.7341 -9.7339 -9.6908 -9.6906 -9.6845 -9.6843 -9.6736 -9.6734 -9.6715 -9.6713 -5.7126 -5.7122 -5.6981 -5.6977 -1.9405 -1.9404 -1.9369 -1.9368 2.1827 2.1828 2.5011 2.5012 3.5168 3.5169 3.7350 3.7351 4.1364 4.1365 4.1729 4.1731 6.8108 6.8109 7.6155 7.6155 8.8908 8.8908 9.5454 9.5455 k = 0.3067 0.5312 0.2533 ( 4748 PWs) bands (ev): -12.2692 -12.2690 -12.2567 -12.2565 -12.2509 -12.2508 -12.2477 -12.2475 -9.7465 -9.7464 -9.7338 -9.7337 -9.6909 -9.6907 -9.6846 -9.6844 -9.6736 -9.6734 -9.6715 -9.6713 -5.7178 -5.7174 -5.7035 -5.7031 -1.9371 -1.9370 -1.9335 -1.9335 2.1971 2.1972 2.5157 2.5158 3.4970 3.4971 3.7073 3.7074 4.1571 4.1573 4.1954 4.1956 6.8258 6.8258 7.6325 7.6325 8.8766 8.8767 9.5346 9.5347 k = 0.3000 0.5196 0.2533 ( 4752 PWs) bands (ev): -12.2692 -12.2690 -12.2567 -12.2565 -12.2511 -12.2509 -12.2477 -12.2475 -9.7466 -9.7465 -9.7335 -9.7333 -9.6909 -9.6907 -9.6847 -9.6846 -9.6735 -9.6734 -9.6714 -9.6712 -5.7247 -5.7243 -5.7105 -5.7101 -1.9325 -1.9324 -1.9290 -1.9289 2.2154 2.2155 2.5342 2.5343 3.4726 3.4727 3.6752 3.6754 4.1822 4.1823 4.2230 4.2231 6.8442 6.8442 7.6535 7.6535 8.8595 8.8596 9.5218 9.5219 k = 0.2933 0.5081 0.2533 ( 4746 PWs) bands (ev): -12.2691 -12.2689 -12.2566 -12.2565 -12.2512 -12.2510 -12.2477 -12.2475 -9.7468 -9.7466 -9.7331 -9.7329 -9.6909 -9.6907 -9.6849 -9.6847 -9.6735 -9.6733 -9.6714 -9.6712 -5.7332 -5.7329 -5.7193 -5.7189 -1.9266 -1.9265 -1.9231 -1.9230 2.2374 2.2375 2.5565 2.5566 3.4448 3.4449 3.6405 3.6406 4.2106 4.2107 4.2545 4.2546 6.8656 6.8657 7.6783 7.6783 8.8397 8.8398 9.5074 9.5075 k = 0.2867 0.4965 0.2533 ( 4738 PWs) bands (ev): -12.2691 -12.2689 -12.2566 -12.2564 -12.2513 -12.2511 -12.2477 -12.2475 -9.7468 -9.7466 -9.7326 -9.7324 -9.6909 -9.6907 -9.6851 -9.6849 -9.6735 -9.6733 -9.6714 -9.6712 -5.7436 -5.7432 -5.7298 -5.7294 -1.9193 -1.9192 -1.9159 -1.9158 2.2629 2.2630 2.5825 2.5826 3.4146 3.4147 3.6042 3.6043 4.2419 4.2420 4.2889 4.2890 6.8896 6.8897 7.7062 7.7062 8.8177 8.8178 9.4918 9.4919 k = 0.2800 0.4850 0.2533 ( 4734 PWs) bands (ev): -12.2690 -12.2688 -12.2566 -12.2564 -12.2515 -12.2513 -12.2477 -12.2475 -9.7469 -9.7467 -9.7321 -9.7319 -9.6909 -9.6907 -9.6853 -9.6851 -9.6735 -9.6733 -9.6715 -9.6713 -5.7557 -5.7553 -5.7421 -5.7417 -1.9106 -1.9106 -1.9072 -1.9071 2.2916 2.2917 2.6117 2.6118 3.3830 3.3831 3.5676 3.5677 4.2755 4.2756 4.3256 4.3257 6.9158 6.9159 7.7369 7.7369 8.7941 8.7942 9.4756 9.4757 k = 0.2733 0.4734 0.2533 ( 4742 PWs) bands (ev): -12.2690 -12.2688 -12.2566 -12.2564 -12.2516 -12.2514 -12.2477 -12.2476 -9.7469 -9.7467 -9.7315 -9.7314 -9.6908 -9.6907 -9.6855 -9.6853 -9.6735 -9.6733 -9.6716 -9.6714 -5.7695 -5.7692 -5.7562 -5.7558 -1.9006 -1.9005 -1.8970 -1.8970 2.3233 2.3234 2.6440 2.6441 3.3510 3.3511 3.5316 3.5317 4.3110 4.3111 4.3638 4.3639 6.9438 6.9438 7.7696 7.7697 8.7693 8.7694 9.4591 9.4592 k = 0.2667 0.4619 0.2533 ( 4740 PWs) bands (ev): -12.2689 -12.2687 -12.2566 -12.2564 -12.2517 -12.2516 -12.2478 -12.2476 -9.7468 -9.7466 -9.7309 -9.7307 -9.6908 -9.6906 -9.6857 -9.6855 -9.6735 -9.6733 -9.6717 -9.6716 -5.7851 -5.7848 -5.7720 -5.7716 -1.8891 -1.8890 -1.8854 -1.8853 2.3575 2.3576 2.6789 2.6790 3.3196 3.3196 3.4970 3.4971 4.3480 4.3481 4.4032 4.4032 6.9730 6.9730 7.8039 7.8039 8.7438 8.7439 9.4428 9.4429 k = 0.2600 0.4503 0.2533 ( 4756 PWs) bands (ev): -12.2689 -12.2687 -12.2567 -12.2565 -12.2519 -12.2517 -12.2478 -12.2476 -9.7467 -9.7465 -9.7303 -9.7301 -9.6908 -9.6906 -9.6859 -9.6857 -9.6736 -9.6734 -9.6720 -9.6718 -5.8024 -5.8021 -5.7894 -5.7891 -1.8762 -1.8761 -1.8724 -1.8723 2.3938 2.3939 2.7161 2.7161 3.2896 3.2897 3.4647 3.4648 4.3861 4.3862 4.4432 4.4432 7.0030 7.0031 7.8389 7.8389 8.7183 8.7184 9.4269 9.4271 k = 0.2533 0.4388 0.2533 ( 4760 PWs) bands (ev): -12.2688 -12.2686 -12.2567 -12.2565 -12.2520 -12.2518 -12.2478 -12.2477 -9.7465 -9.7463 -9.7296 -9.7294 -9.6908 -9.6906 -9.6861 -9.6859 -9.6737 -9.6735 -9.6722 -9.6720 -5.8214 -5.8210 -5.8085 -5.8082 -1.8619 -1.8618 -1.8579 -1.8578 2.4318 2.4319 2.7548 2.7549 3.2621 3.2622 3.4355 3.4355 4.4250 4.4251 4.4836 4.4836 7.0336 7.0336 7.8739 7.8739 8.6934 8.6935 9.4119 9.4120 k = 0.2467 0.4272 0.2533 ( 4752 PWs) bands (ev): -12.2687 -12.2685 -12.2568 -12.2567 -12.2520 -12.2518 -12.2479 -12.2477 -9.7462 -9.7461 -9.7289 -9.7287 -9.6908 -9.6906 -9.6863 -9.6861 -9.6738 -9.6736 -9.6725 -9.6723 -5.8419 -5.8415 -5.8292 -5.8288 -1.8463 -1.8462 -1.8422 -1.8421 2.4708 2.4709 2.7944 2.7944 3.2380 3.2381 3.4102 3.4103 4.4644 4.4645 4.5241 4.5242 7.0641 7.0642 7.9078 7.9079 8.6698 8.6699 9.3979 9.3980 k = 0.2400 0.4157 0.2533 ( 4756 PWs) bands (ev): -12.2686 -12.2684 -12.2570 -12.2568 -12.2521 -12.2519 -12.2479 -12.2477 -9.7459 -9.7457 -9.7281 -9.7279 -9.6908 -9.6906 -9.6865 -9.6863 -9.6739 -9.6737 -9.6729 -9.6727 -5.8639 -5.8635 -5.8513 -5.8509 -1.8296 -1.8295 -1.8252 -1.8251 2.5102 2.5102 2.8338 2.8338 3.2184 3.2185 3.3900 3.3900 4.5040 4.5041 4.5646 4.5646 7.0944 7.0944 7.9398 7.9398 8.6484 8.6485 9.3851 9.3852 k = 0.2333 0.4041 0.2533 ( 4752 PWs) bands (ev): -12.2685 -12.2683 -12.2572 -12.2570 -12.2521 -12.2519 -12.2480 -12.2478 -9.7455 -9.7453 -9.7273 -9.7271 -9.6908 -9.6906 -9.6867 -9.6865 -9.6741 -9.6739 -9.6733 -9.6731 -5.8872 -5.8868 -5.8747 -5.8744 -1.8117 -1.8116 -1.8071 -1.8071 2.5491 2.5491 2.8718 2.8718 3.2044 3.2045 3.3760 3.3760 4.5437 4.5437 4.6048 4.6048 7.1239 7.1240 7.9685 7.9686 8.6302 8.6302 9.3736 9.3737 k = 0.2267 0.3926 0.2533 ( 4752 PWs) bands (ev): -12.2684 -12.2682 -12.2575 -12.2573 -12.2521 -12.2519 -12.2480 -12.2478 -9.7450 -9.7448 -9.7265 -9.7263 -9.6908 -9.6906 -9.6868 -9.6866 -9.6743 -9.6741 -9.6738 -9.6736 -5.9118 -5.9114 -5.8995 -5.8991 -1.7928 -1.7928 -1.7881 -1.7881 2.5868 2.5868 2.9068 2.9068 3.1974 3.1975 3.3693 3.3694 4.5831 4.5831 4.6444 4.6445 7.1525 7.1526 7.9928 7.9928 8.6162 8.6162 9.3634 9.3635 k = 0.2200 0.3811 0.2533 ( 4744 PWs) bands (ev): -12.2683 -12.2681 -12.2577 -12.2575 -12.2521 -12.2519 -12.2480 -12.2478 -9.7444 -9.7442 -9.7256 -9.7255 -9.6909 -9.6907 -9.6869 -9.6868 -9.6746 -9.6744 -9.6742 -9.6740 -5.9375 -5.9372 -5.9253 -5.9250 -1.7732 -1.7731 -1.7684 -1.7683 2.6224 2.6224 2.9371 2.9371 3.1989 3.1989 3.3713 3.3714 4.6221 4.6221 4.6835 4.6835 7.1799 7.1799 8.0114 8.0114 8.6074 8.6074 9.3545 9.3546 k = 0.2133 0.3695 0.2533 ( 4744 PWs) bands (ev): -12.2682 -12.2680 -12.2580 -12.2578 -12.2521 -12.2519 -12.2480 -12.2478 -9.7437 -9.7435 -9.7248 -9.7246 -9.6909 -9.6907 -9.6871 -9.6869 -9.6750 -9.6748 -9.6746 -9.6744 -5.9642 -5.9639 -5.9522 -5.9518 -1.7528 -1.7527 -1.7479 -1.7479 2.6552 2.6553 2.9616 2.9617 3.2097 3.2097 3.3828 3.3829 4.6605 4.6606 4.7217 4.7217 7.2057 7.2058 8.0233 8.0233 8.6046 8.6047 9.3467 9.3468 k = 0.2067 0.3580 0.2533 ( 4748 PWs) bands (ev): -12.2681 -12.2679 -12.2584 -12.2582 -12.2520 -12.2518 -12.2480 -12.2479 -9.7429 -9.7428 -9.7239 -9.7237 -9.6910 -9.6908 -9.6872 -9.6870 -9.6755 -9.6754 -9.6749 -9.6747 -5.9918 -5.9914 -5.9799 -5.9795 -1.7319 -1.7318 -1.7271 -1.7270 2.6850 2.6851 2.9802 2.9803 3.2299 3.2300 3.4040 3.4041 4.6982 4.6982 4.7589 4.7590 7.2300 7.2301 8.0279 8.0279 8.6082 8.6082 9.3395 9.3396 k = 0.2000 0.3464 0.2533 ( 4752 PWs) bands (ev): -12.2680 -12.2678 -12.2587 -12.2585 -12.2520 -12.2518 -12.2480 -12.2479 -9.7421 -9.7419 -9.7230 -9.7228 -9.6911 -9.6910 -9.6873 -9.6871 -9.6761 -9.6759 -9.6752 -9.6750 -6.0200 -6.0197 -6.0083 -6.0080 -1.7107 -1.7107 -1.7059 -1.7058 2.7117 2.7118 2.9943 2.9944 3.2588 3.2589 3.4342 3.4344 4.7349 4.7350 4.7951 4.7951 7.2526 7.2526 8.0253 8.0253 8.6180 8.6180 9.3326 9.3327 k = 0.1933 0.3349 0.2533 ( 4756 PWs) bands (ev): -12.2679 -12.2677 -12.2591 -12.2589 -12.2520 -12.2518 -12.2480 -12.2478 -9.7412 -9.7410 -9.7221 -9.7219 -9.6913 -9.6911 -9.6874 -9.6872 -9.6767 -9.6765 -9.6755 -9.6754 -6.0489 -6.0486 -6.0374 -6.0370 -1.6894 -1.6893 -1.6847 -1.6846 2.7360 2.7361 3.0058 3.0059 3.2950 3.2951 3.4722 3.4724 4.7706 4.7706 4.8299 4.8300 7.2734 7.2735 8.0161 8.0162 8.6332 8.6333 9.3255 9.3256 k = 0.1867 0.3233 0.2533 ( 4756 PWs) bands (ev): -12.2677 -12.2675 -12.2595 -12.2593 -12.2519 -12.2517 -12.2480 -12.2478 -9.7402 -9.7400 -9.7212 -9.7210 -9.6914 -9.6912 -9.6875 -9.6873 -9.6774 -9.6772 -9.6759 -9.6757 -6.0782 -6.0778 -6.0669 -6.0665 -1.6680 -1.6680 -1.6635 -1.6634 2.7587 2.7588 3.0165 3.0167 3.3372 3.3374 3.5162 3.5164 4.8050 4.8050 4.8634 4.8635 7.2925 7.2926 8.0013 8.0013 8.6529 8.6529 9.3177 9.3178 k = 0.1800 0.3118 0.2533 ( 4756 PWs) bands (ev): -12.2676 -12.2674 -12.2599 -12.2597 -12.2519 -12.2517 -12.2480 -12.2478 -9.7392 -9.7390 -9.7203 -9.7201 -9.6915 -9.6913 -9.6876 -9.6874 -9.6780 -9.6778 -9.6763 -9.6761 -6.1077 -6.1074 -6.0967 -6.0963 -1.6469 -1.6468 -1.6425 -1.6425 2.7808 2.7809 3.0280 3.0281 3.3842 3.3844 3.5644 3.5647 4.8380 4.8381 4.8952 4.8953 7.3100 7.3100 7.9819 7.9819 8.6759 8.6759 9.3086 9.3087 k = 0.1733 0.3002 0.2533 ( 4760 PWs) bands (ev): -12.2675 -12.2673 -12.2603 -12.2601 -12.2519 -12.2517 -12.2480 -12.2478 -9.7381 -9.7379 -9.7194 -9.7192 -9.6916 -9.6915 -9.6877 -9.6875 -9.6786 -9.6784 -9.6767 -9.6765 -6.1374 -6.1371 -6.1267 -6.1263 -1.6261 -1.6260 -1.6220 -1.6219 2.8034 2.8035 3.0412 3.0414 3.4349 3.4351 3.6155 3.6158 4.8695 4.8696 4.9254 4.9254 7.3259 7.3259 7.9590 7.9590 8.7012 8.7012 9.2980 9.2981 k = 0.1667 0.2887 0.2533 ( 4768 PWs) bands (ev): -12.2674 -12.2672 -12.2608 -12.2606 -12.2519 -12.2517 -12.2479 -12.2477 -9.7370 -9.7368 -9.7186 -9.7184 -9.6917 -9.6915 -9.6879 -9.6877 -9.6791 -9.6790 -9.6771 -9.6769 -6.1671 -6.1668 -6.1567 -6.1563 -1.6058 -1.6058 -1.6020 -1.6019 2.8274 2.8276 3.0571 3.0572 3.4883 3.4885 3.6683 3.6686 4.8993 4.8994 4.9536 4.9536 7.3404 7.3404 7.9335 7.9335 8.7280 8.7280 9.2856 9.2857 k = 0.1600 0.2771 0.2533 ( 4752 PWs) bands (ev): -12.2672 -12.2670 -12.2612 -12.2610 -12.2518 -12.2516 -12.2479 -12.2477 -9.7358 -9.7356 -9.7178 -9.7176 -9.6918 -9.6916 -9.6880 -9.6878 -9.6797 -9.6795 -9.6775 -9.6773 -6.1966 -6.1963 -6.1866 -6.1863 -1.5862 -1.5861 -1.5826 -1.5826 2.8537 2.8538 3.0760 3.0762 3.5435 3.5437 3.7218 3.7221 4.9272 4.9273 4.9797 4.9798 7.3537 7.3538 7.9062 7.9063 8.7556 8.7556 9.2716 9.2717 k = 0.1533 0.2656 0.2533 ( 4748 PWs) bands (ev): -12.2671 -12.2669 -12.2616 -12.2614 -12.2518 -12.2516 -12.2479 -12.2477 -9.7346 -9.7344 -9.7171 -9.7169 -9.6918 -9.6916 -9.6882 -9.6880 -9.6802 -9.6800 -9.6780 -9.6778 -6.2260 -6.2256 -6.2163 -6.2160 -1.5673 -1.5673 -1.5641 -1.5640 2.8827 2.8828 3.0985 3.0986 3.5997 3.6000 3.7752 3.7755 4.9531 4.9532 5.0035 5.0036 7.3660 7.3660 7.8779 7.8779 8.7835 8.7835 9.2560 9.2561 k = 0.1467 0.2540 0.2533 ( 4744 PWs) bands (ev): -12.2670 -12.2668 -12.2620 -12.2618 -12.2518 -12.2516 -12.2478 -12.2476 -9.7334 -9.7332 -9.7165 -9.7163 -9.6917 -9.6915 -9.6884 -9.6882 -9.6807 -9.6805 -9.6784 -9.6782 -6.2549 -6.2546 -6.2456 -6.2453 -1.5494 -1.5493 -1.5464 -1.5464 2.9149 2.9150 3.1246 3.1248 3.6563 3.6565 3.8279 3.8282 4.9767 4.9768 5.0247 5.0248 7.3774 7.3774 7.8490 7.8490 8.8115 8.8115 9.2393 9.2393 k = 0.1400 0.2425 0.2533 ( 4752 PWs) bands (ev): -12.2669 -12.2667 -12.2624 -12.2622 -12.2518 -12.2516 -12.2478 -12.2476 -9.7321 -9.7319 -9.7160 -9.7158 -9.6916 -9.6914 -9.6886 -9.6884 -9.6811 -9.6809 -9.6789 -9.6787 -6.2833 -6.2830 -6.2745 -6.2742 -1.5324 -1.5323 -1.5297 -1.5297 2.9507 2.9508 3.1546 3.1548 3.7126 3.7128 3.8793 3.8796 4.9978 4.9979 5.0433 5.0434 7.3880 7.3880 7.8202 7.8202 8.8392 8.8392 9.2217 9.2217 k = 0.1333 0.2309 0.2533 ( 4740 PWs) bands (ev): -12.2668 -12.2666 -12.2628 -12.2626 -12.2517 -12.2516 -12.2478 -12.2476 -9.7309 -9.7307 -9.7155 -9.7153 -9.6914 -9.6912 -9.6888 -9.6887 -9.6814 -9.6812 -9.6793 -9.6792 -6.3112 -6.3108 -6.3028 -6.3024 -1.5164 -1.5163 -1.5141 -1.5140 2.9902 2.9903 3.1886 3.1887 3.7681 3.7683 3.9291 3.9293 5.0162 5.0163 5.0588 5.0589 7.3979 7.3979 7.7919 7.7919 8.8666 8.8666 9.2037 9.2038 k = 0.1267 0.2194 0.2533 ( 4742 PWs) bands (ev): -12.2667 -12.2665 -12.2632 -12.2630 -12.2517 -12.2515 -12.2477 -12.2475 -9.7297 -9.7295 -9.7152 -9.7150 -9.6912 -9.6910 -9.6891 -9.6889 -9.6817 -9.6815 -9.6798 -9.6796 -6.3383 -6.3380 -6.3303 -6.3300 -1.5015 -1.5014 -1.4995 -1.4994 3.0335 3.0337 3.2264 3.2266 3.8222 3.8225 3.9767 3.9770 5.0315 5.0316 5.0712 5.0713 7.4071 7.4071 7.7646 7.7647 8.8934 8.8934 9.1857 9.1858 k = 0.1200 0.2078 0.2533 ( 4746 PWs) bands (ev): -12.2666 -12.2664 -12.2636 -12.2634 -12.2517 -12.2515 -12.2477 -12.2475 -9.7285 -9.7283 -9.7150 -9.7148 -9.6909 -9.6907 -9.6893 -9.6891 -9.6820 -9.6818 -9.6802 -9.6800 -6.3646 -6.3643 -6.3571 -6.3568 -1.4877 -1.4877 -1.4860 -1.4859 3.0808 3.0809 3.2682 3.2683 3.8747 3.8750 4.0221 4.0224 5.0435 5.0436 5.0800 5.0801 7.4156 7.4156 7.7388 7.7389 8.9195 8.9195 9.1683 9.1684 k = 0.1133 0.1963 0.2533 ( 4742 PWs) bands (ev): -12.2666 -12.2664 -12.2639 -12.2637 -12.2516 -12.2514 -12.2477 -12.2475 -9.7273 -9.7271 -9.7148 -9.7146 -9.6905 -9.6904 -9.6894 -9.6892 -9.6822 -9.6820 -9.6807 -9.6805 -6.3900 -6.3897 -6.3830 -6.3827 -1.4751 -1.4750 -1.4736 -1.4735 3.1318 3.1320 3.3137 3.3138 3.9252 3.9254 4.0648 4.0651 5.0517 5.0518 5.0852 5.0853 7.4231 7.4231 7.7150 7.7150 8.9446 8.9446 9.1518 9.1519 k = 0.1067 0.1848 0.2533 ( 4746 PWs) bands (ev): -12.2665 -12.2663 -12.2642 -12.2640 -12.2516 -12.2514 -12.2477 -12.2475 -9.7262 -9.7260 -9.7148 -9.7146 -9.6903 -9.6902 -9.6894 -9.6892 -9.6823 -9.6821 -9.6811 -9.6809 -6.4144 -6.4141 -6.4079 -6.4075 -1.4635 -1.4635 -1.4623 -1.4622 3.1866 3.1868 3.3628 3.3629 3.9733 3.9736 4.1048 4.1051 5.0559 5.0560 5.0864 5.0865 7.4295 7.4295 7.6935 7.6936 8.9686 8.9686 9.1368 9.1369 k = 0.1000 0.1732 0.2533 ( 4752 PWs) bands (ev): -12.2665 -12.2663 -12.2646 -12.2644 -12.2515 -12.2513 -12.2478 -12.2476 -9.7251 -9.7249 -9.7148 -9.7146 -9.6903 -9.6901 -9.6892 -9.6890 -9.6824 -9.6822 -9.6814 -9.6812 -6.4377 -6.4374 -6.4317 -6.4314 -1.4531 -1.4530 -1.4520 -1.4520 3.2450 3.2452 3.4152 3.4154 4.0190 4.0192 4.1420 4.1423 5.0556 5.0557 5.0834 5.0836 7.4346 7.4346 7.6748 7.6748 8.9909 8.9909 9.1239 9.1240 k = 0.0933 0.1617 0.2533 ( 4744 PWs) bands (ev): -12.2664 -12.2662 -12.2649 -12.2647 -12.2514 -12.2512 -12.2478 -12.2476 -9.7241 -9.7239 -9.7149 -9.7147 -9.6904 -9.6902 -9.6888 -9.6886 -9.6825 -9.6823 -9.6818 -9.6816 -6.4599 -6.4596 -6.4543 -6.4540 -1.4437 -1.4436 -1.4428 -1.4428 3.3068 3.3070 3.4709 3.4711 4.0619 4.0622 4.1762 4.1765 5.0505 5.0506 5.0761 5.0762 7.4382 7.4383 7.6589 7.6589 9.0109 9.0109 9.1137 9.1138 k = 0.0867 0.1501 0.2533 ( 4744 PWs) bands (ev): -12.2664 -12.2662 -12.2651 -12.2649 -12.2513 -12.2511 -12.2478 -12.2476 -9.7232 -9.7230 -9.7151 -9.7149 -9.6905 -9.6903 -9.6884 -9.6882 -9.6825 -9.6823 -9.6820 -9.6818 -6.4808 -6.4805 -6.4757 -6.4754 -1.4353 -1.4352 -1.4346 -1.4346 3.3717 3.3719 3.5294 3.5296 4.1021 4.1024 4.2075 4.2078 5.0404 5.0406 5.0642 5.0643 7.4405 7.4405 7.6457 7.6458 9.0276 9.0276 9.1072 9.1073 k = 0.0800 0.1386 0.2533 ( 4744 PWs) bands (ev): -12.2664 -12.2662 -12.2654 -12.2652 -12.2512 -12.2510 -12.2479 -12.2477 -9.7224 -9.7222 -9.7152 -9.7150 -9.6906 -9.6904 -9.6880 -9.6878 -9.6825 -9.6823 -9.6821 -9.6820 -6.5004 -6.5001 -6.4958 -6.4955 -1.4279 -1.4278 -1.4274 -1.4273 3.4395 3.4396 3.5905 3.5907 4.1394 4.1397 4.2358 4.2362 5.0252 5.0253 5.0475 5.0476 7.4416 7.4416 7.6351 7.6351 9.0398 9.0398 9.1053 9.1054 k = 0.0733 0.1270 0.2533 ( 4750 PWs) bands (ev): -12.2664 -12.2662 -12.2656 -12.2654 -12.2511 -12.2509 -12.2480 -12.2478 -9.7217 -9.7215 -9.7155 -9.7153 -9.6906 -9.6904 -9.6877 -9.6875 -9.6825 -9.6824 -9.6822 -9.6820 -6.5187 -6.5184 -6.5145 -6.5142 -1.4213 -1.4213 -1.4210 -1.4209 3.5097 3.5099 3.6538 3.6540 4.1739 4.1742 4.2614 4.2617 5.0048 5.0049 5.0257 5.0259 7.4421 7.4421 7.6262 7.6262 9.0473 9.0473 9.1083 9.1083 k = 0.0667 0.1155 0.2533 ( 4750 PWs) bands (ev): -12.2665 -12.2663 -12.2658 -12.2656 -12.2510 -12.2508 -12.2480 -12.2478 -9.7210 -9.7208 -9.7157 -9.7155 -9.6906 -9.6905 -9.6875 -9.6873 -9.6825 -9.6823 -9.6821 -9.6819 -6.5356 -6.5353 -6.5318 -6.5315 -1.4157 -1.4156 -1.4154 -1.4154 3.5821 3.5822 3.7188 3.7190 4.2055 4.2058 4.2842 4.2845 4.9793 4.9794 4.9988 4.9989 7.4425 7.4425 7.6184 7.6184 9.0514 9.0515 9.1142 9.1142 k = 0.0600 0.1039 0.2533 ( 4758 PWs) bands (ev): -12.2665 -12.2663 -12.2660 -12.2658 -12.2508 -12.2506 -12.2481 -12.2479 -9.7205 -9.7203 -9.7159 -9.7157 -9.6906 -9.6904 -9.6874 -9.6872 -9.6824 -9.6822 -9.6820 -9.6818 -6.5510 -6.5507 -6.5477 -6.5473 -1.4108 -1.4107 -1.4106 -1.4105 3.6561 3.6562 3.7852 3.7854 4.2345 4.2348 4.3045 4.3048 4.9488 4.9489 4.9667 4.9668 7.4434 7.4434 7.6109 7.6110 9.0543 9.0544 9.1208 9.1208 k = 0.0533 0.0924 0.2533 ( 4746 PWs) bands (ev): -12.2665 -12.2663 -12.2662 -12.2660 -12.2507 -12.2505 -12.2482 -12.2480 -9.7200 -9.7198 -9.7162 -9.7160 -9.6905 -9.6903 -9.6874 -9.6872 -9.6823 -9.6821 -9.6819 -9.6817 -6.5649 -6.5646 -6.5620 -6.5616 -1.4066 -1.4066 -1.4065 -1.4064 3.7312 3.7313 3.8522 3.8524 4.2610 4.2613 4.3223 4.3226 4.9137 4.9137 4.9295 4.9296 7.4453 7.4454 7.6032 7.6033 9.0575 9.0575 9.1263 9.1263 k = 0.0467 0.0808 0.2533 ( 4754 PWs) bands (ev): -12.2666 -12.2664 -12.2663 -12.2661 -12.2505 -12.2503 -12.2483 -12.2481 -9.7196 -9.7194 -9.7164 -9.7162 -9.6904 -9.6902 -9.6875 -9.6873 -9.6820 -9.6819 -9.6818 -9.6816 -6.5772 -6.5769 -6.5747 -6.5744 -1.4031 -1.4030 -1.4030 -1.4030 3.8067 3.8069 3.9193 3.9195 4.2852 4.2855 4.3381 4.3384 4.8740 4.8741 4.8874 4.8875 7.4486 7.4487 7.5948 7.5948 9.0615 9.0615 9.1300 9.1300 k = 0.0400 0.0693 0.2533 ( 4754 PWs) bands (ev): -12.2666 -12.2665 -12.2664 -12.2663 -12.2504 -12.2502 -12.2485 -12.2483 -9.7192 -9.7190 -9.7166 -9.7164 -9.6903 -9.6901 -9.6877 -9.6875 -9.6818 -9.6816 -9.6816 -9.6814 -6.5879 -6.5876 -6.5858 -6.5855 -1.4002 -1.4001 -1.4001 -1.4001 3.8819 3.8821 3.9853 3.9855 4.3076 4.3079 4.3521 4.3524 4.8302 4.8302 4.8411 4.8412 7.4535 7.4536 7.5854 7.5854 9.0664 9.0665 9.1316 9.1316 k = 0.0333 0.0577 0.2533 ( 4760 PWs) bands (ev): -12.2666 -12.2666 -12.2664 -12.2663 -12.2502 -12.2500 -12.2486 -12.2484 -9.7189 -9.7187 -9.7168 -9.7166 -9.6901 -9.6900 -9.6879 -9.6877 -9.6816 -9.6815 -9.6814 -9.6813 -6.5971 -6.5967 -6.5953 -6.5950 -1.3978 -1.3978 -1.3977 -1.3977 3.9556 3.9557 4.0489 4.0491 4.3287 4.3290 4.3651 4.3654 4.7825 4.7825 4.7915 4.7915 7.4600 7.4601 7.5750 7.5750 9.0722 9.0723 9.1312 9.1312 k = 0.0267 0.0462 0.2533 ( 4764 PWs) bands (ev): -12.2667 -12.2666 -12.2665 -12.2664 -12.2500 -12.2498 -12.2487 -12.2485 -9.7187 -9.7185 -9.7171 -9.7168 -9.6900 -9.6898 -9.6881 -9.6879 -9.6814 -9.6813 -9.6812 -9.6811 -6.6045 -6.6042 -6.6031 -6.6028 -1.3959 -1.3959 -1.3959 -1.3958 4.0261 4.0262 4.1077 4.1079 4.3498 4.3501 4.3779 4.3782 4.7313 4.7314 4.7398 4.7399 7.4681 7.4682 7.5636 7.5636 9.0788 9.0789 9.1289 9.1290 k = 0.0200 0.0346 0.2533 ( 4764 PWs) bands (ev): -12.2667 -12.2667 -12.2665 -12.2665 -12.2499 -12.2497 -12.2489 -12.2487 -9.7184 -9.7182 -9.7173 -9.7171 -9.6898 -9.6896 -9.6883 -9.6881 -9.6812 -9.6812 -9.6810 -9.6810 -6.6103 -6.6100 -6.6093 -6.6090 -1.3945 -1.3945 -1.3944 -1.3944 4.0909 4.0911 4.1580 4.1583 4.3727 4.3730 4.3921 4.3924 4.6782 4.6783 4.6877 4.6877 7.4777 7.4778 7.5514 7.5514 9.0858 9.0859 9.1251 9.1252 k = 0.0133 0.0231 0.2533 ( 4756 PWs) bands (ev): -12.2667 -12.2667 -12.2665 -12.2665 -12.2497 -12.2495 -12.2490 -12.2488 -9.7182 -9.7180 -9.7174 -9.7172 -9.6895 -9.6893 -9.6886 -9.6884 -9.6811 -9.6811 -9.6809 -9.6809 -6.6144 -6.6141 -6.6137 -6.6134 -1.3935 -1.3935 -1.3934 -1.3934 4.1464 4.1465 4.1948 4.1950 4.3992 4.3994 4.4093 4.4096 4.6266 4.6267 4.6369 4.6370 7.4885 7.4886 7.5387 7.5387 9.0931 9.0932 9.1201 9.1202 k = 0.0067 0.0115 0.2533 ( 4756 PWs) bands (ev): -12.2667 -12.2667 -12.2665 -12.2665 -12.2495 -12.2493 -12.2492 -12.2490 -9.7180 -9.7178 -9.7176 -9.7174 -9.6893 -9.6891 -9.6888 -9.6886 -9.6810 -9.6810 -9.6809 -9.6809 -6.6168 -6.6165 -6.6165 -6.6162 -1.3929 -1.3929 -1.3929 -1.3928 4.1877 4.1879 4.2130 4.2133 4.4269 4.4272 4.4292 4.4295 4.5840 4.5842 4.5923 4.5924 7.5003 7.5004 7.5257 7.5258 9.1004 9.1005 9.1141 9.1142 k = 0.0000 0.0000 0.2533 ( 4750 PWs) bands (ev): -12.2667 -12.2667 -12.2665 -12.2665 -12.2493 -12.2493 -12.2491 -12.2491 -9.7178 -9.7178 -9.7176 -9.7176 -9.6891 -9.6891 -9.6889 -9.6889 -9.6810 -9.6810 -9.6808 -9.6808 -6.6175 -6.6175 -6.6172 -6.6172 -1.3927 -1.3927 -1.3927 -1.3927 4.2106 4.2106 4.2108 4.2108 4.4409 4.4409 4.4413 4.4413 4.5683 4.5683 4.5685 4.5685 7.5128 7.5128 7.5129 7.5129 9.1075 9.1075 9.1075 9.1075 k = 0.5000 0.2887 0.2533 ( 4748 PWs) bands (ev): -12.2637 -12.2637 -12.2635 -12.2635 -12.2493 -12.2493 -12.2491 -12.2491 -9.7414 -9.7414 -9.7412 -9.7412 -9.6915 -9.6915 -9.6913 -9.6913 -9.6658 -9.6658 -9.6657 -9.6657 -5.8169 -5.8169 -5.8166 -5.8166 -1.9123 -1.9123 -1.9122 -1.9122 2.8310 2.8310 2.8311 2.8311 3.6215 3.6215 3.6217 3.6217 3.9595 3.9595 3.9597 3.9597 7.5839 7.5839 7.5839 7.5839 9.0091 9.0091 9.0092 9.0092 k = 0.5000 0.2887 0.2400 ( 4748 PWs) bands (ev): -12.2638 -12.2638 -12.2634 -12.2634 -12.2494 -12.2494 -12.2489 -12.2489 -9.7421 -9.7421 -9.7404 -9.7404 -9.6921 -9.6921 -9.6907 -9.6907 -9.6663 -9.6663 -9.6651 -9.6651 -5.8211 -5.8211 -5.8124 -5.8124 -1.9306 -1.9306 -1.8933 -1.8933 2.8075 2.8075 2.8477 2.8477 3.5953 3.5954 3.6476 3.6477 3.9432 3.9432 3.9860 3.9861 7.5077 7.5078 7.6564 7.6564 8.9714 8.9714 9.0475 9.0475 k = 0.5000 0.2887 0.2266 ( 4760 PWs) bands (ev): -12.2639 -12.2639 -12.2633 -12.2633 -12.2496 -12.2496 -12.2488 -12.2488 -9.7430 -9.7430 -9.7396 -9.7396 -9.6928 -9.6928 -9.6900 -9.6900 -9.6669 -9.6669 -9.6645 -9.6645 -5.8254 -5.8254 -5.8082 -5.8082 -1.9483 -1.9483 -1.8739 -1.8739 2.7780 2.7780 2.8567 2.8567 3.5696 3.5696 3.6730 3.6731 3.9368 3.9368 4.0216 4.0216 7.4286 7.4286 7.7249 7.7249 8.9345 8.9345 9.0858 9.0859 k = 0.5000 0.2887 0.2133 ( 4764 PWs) bands (ev): -12.2640 -12.2640 -12.2632 -12.2632 -12.2498 -12.2498 -12.2486 -12.2486 -9.7438 -9.7438 -9.7388 -9.7388 -9.6935 -9.6935 -9.6894 -9.6894 -9.6675 -9.6675 -9.6639 -9.6639 -5.8297 -5.8297 -5.8040 -5.8040 -1.9653 -1.9652 -1.8542 -1.8542 2.7437 2.7437 2.8578 2.8578 3.5451 3.5451 3.6979 3.6980 3.9399 3.9400 4.0649 4.0650 7.3469 7.3469 7.7889 7.7889 8.8988 8.8989 9.1234 9.1234 k = 0.5000 0.2887 0.2000 ( 4764 PWs) bands (ev): -12.2641 -12.2641 -12.2631 -12.2631 -12.2500 -12.2500 -12.2484 -12.2484 -9.7446 -9.7446 -9.7380 -9.7380 -9.6942 -9.6942 -9.6887 -9.6887 -9.6680 -9.6680 -9.6633 -9.6633 -5.8340 -5.8340 -5.7999 -5.7999 -1.9814 -1.9814 -1.8343 -1.8343 2.7058 2.7058 2.8515 2.8515 3.5222 3.5223 3.7226 3.7227 3.9517 3.9517 4.1144 4.1145 7.2634 7.2635 7.8483 7.8483 8.8644 8.8644 9.1592 9.1592 k = 0.5000 0.2887 0.1866 ( 4756 PWs) bands (ev): -12.2642 -12.2642 -12.2630 -12.2630 -12.2502 -12.2502 -12.2482 -12.2482 -9.7454 -9.7454 -9.7373 -9.7373 -9.6948 -9.6948 -9.6881 -9.6881 -9.6685 -9.6685 -9.6627 -9.6627 -5.8381 -5.8381 -5.7960 -5.7960 -1.9966 -1.9966 -1.8143 -1.8143 2.6653 2.6654 2.8387 2.8387 3.5013 3.5013 3.7473 3.7474 3.9710 3.9711 4.1683 4.1684 7.1788 7.1788 7.9029 7.9029 8.8313 8.8313 9.1917 9.1917 k = 0.5000 0.2887 0.1733 ( 4764 PWs) bands (ev): -12.2643 -12.2643 -12.2628 -12.2628 -12.2503 -12.2503 -12.2480 -12.2480 -9.7462 -9.7462 -9.7366 -9.7366 -9.6954 -9.6954 -9.6875 -9.6874 -9.6689 -9.6689 -9.6621 -9.6621 -5.8421 -5.8421 -5.7922 -5.7922 -2.0110 -2.0110 -1.7946 -1.7946 2.6233 2.6233 2.8209 2.8209 3.4821 3.4822 3.7720 3.7721 3.9970 3.9970 4.2250 4.2250 7.0938 7.0938 7.9525 7.9526 8.7996 8.7997 9.2196 9.2196 k = 0.5000 0.2887 0.1600 ( 4760 PWs) bands (ev): -12.2645 -12.2645 -12.2627 -12.2627 -12.2505 -12.2505 -12.2479 -12.2479 -9.7470 -9.7470 -9.7359 -9.7359 -9.6960 -9.6960 -9.6869 -9.6869 -9.6694 -9.6694 -9.6615 -9.6615 -5.8459 -5.8459 -5.7886 -5.7886 -2.0243 -2.0243 -1.7751 -1.7751 2.5805 2.5805 2.7996 2.7996 3.4646 3.4647 3.7965 3.7965 4.0285 4.0286 4.2828 4.2828 7.0090 7.0090 7.9974 7.9975 8.7695 8.7695 9.2414 9.2414 k = 0.5000 0.2887 0.1466 ( 4764 PWs) bands (ev): -12.2646 -12.2646 -12.2626 -12.2626 -12.2507 -12.2507 -12.2477 -12.2477 -9.7477 -9.7477 -9.7353 -9.7353 -9.6966 -9.6966 -9.6863 -9.6863 -9.6697 -9.6697 -9.6610 -9.6610 -5.8496 -5.8496 -5.7852 -5.7852 -2.0367 -2.0367 -1.7561 -1.7561 2.5378 2.5378 2.7762 2.7762 3.4486 3.4486 3.8202 3.8203 4.0646 4.0647 4.3405 4.3405 6.9253 6.9253 8.0377 8.0377 8.7411 8.7411 9.2565 9.2565 k = 0.5000 0.2887 0.1333 ( 4762 PWs) bands (ev): -12.2647 -12.2647 -12.2625 -12.2625 -12.2508 -12.2508 -12.2475 -12.2475 -9.7484 -9.7484 -9.7347 -9.7347 -9.6971 -9.6971 -9.6858 -9.6858 -9.6701 -9.6701 -9.6604 -9.6604 -5.8530 -5.8530 -5.7820 -5.7820 -2.0480 -2.0480 -1.7379 -1.7379 2.4960 2.4960 2.7519 2.7519 3.4340 3.4340 3.8428 3.8429 4.1043 4.1043 4.3969 4.3970 6.8435 6.8435 8.0734 8.0734 8.7147 8.7147 9.2651 9.2651 k = 0.5000 0.2887 0.1200 ( 4758 PWs) bands (ev): -12.2648 -12.2648 -12.2624 -12.2624 -12.2510 -12.2510 -12.2474 -12.2474 -9.7491 -9.7491 -9.7342 -9.7342 -9.6976 -9.6976 -9.6854 -9.6854 -9.6704 -9.6704 -9.6600 -9.6600 -5.8562 -5.8562 -5.7791 -5.7791 -2.0582 -2.0582 -1.7205 -1.7205 2.4559 2.4559 2.7279 2.7279 3.4206 3.4207 3.8640 3.8640 4.1463 4.1464 4.4510 4.4511 6.7644 6.7644 8.1049 8.1049 8.6906 8.6907 9.2682 9.2682 k = 0.5000 0.2887 0.1066 ( 4748 PWs) bands (ev): -12.2648 -12.2648 -12.2624 -12.2624 -12.2511 -12.2511 -12.2473 -12.2473 -9.7496 -9.7496 -9.7337 -9.7337 -9.6981 -9.6981 -9.6849 -9.6849 -9.6706 -9.6706 -9.6595 -9.6595 -5.8592 -5.8592 -5.7764 -5.7764 -2.0674 -2.0674 -1.7043 -1.7043 2.4181 2.4181 2.7050 2.7050 3.4086 3.4086 3.8833 3.8833 4.1895 4.1895 4.5019 4.5019 6.6891 6.6891 8.1322 8.1322 8.6694 8.6694 9.2671 9.2671 k = 0.5000 0.2887 0.0933 ( 4754 PWs) bands (ev): -12.2649 -12.2649 -12.2623 -12.2623 -12.2513 -12.2512 -12.2472 -12.2472 -9.7502 -9.7502 -9.7332 -9.7332 -9.6985 -9.6985 -9.6846 -9.6846 -9.6709 -9.6709 -9.6591 -9.6591 -5.8618 -5.8618 -5.7741 -5.7740 -2.0755 -2.0755 -1.6893 -1.6893 2.3832 2.3832 2.6836 2.6837 3.3979 3.3979 3.9008 3.9008 4.2324 4.2325 4.5487 4.5487 6.6185 6.6185 8.1555 8.1555 8.6512 8.6512 9.2630 9.2630 k = 0.5000 0.2887 0.0800 ( 4748 PWs) bands (ev): -12.2650 -12.2650 -12.2622 -12.2622 -12.2514 -12.2514 -12.2471 -12.2471 -9.7507 -9.7507 -9.7329 -9.7329 -9.6988 -9.6988 -9.6843 -9.6843 -9.6710 -9.6710 -9.6587 -9.6587 -5.8641 -5.8641 -5.7720 -5.7720 -2.0825 -2.0825 -1.6759 -1.6759 2.3518 2.3518 2.6645 2.6645 3.3885 3.3885 3.9162 3.9162 4.2738 4.2738 4.5907 4.5907 6.5536 6.5537 8.1749 8.1749 8.6364 8.6364 9.2570 9.2570 k = 0.5000 0.2887 0.0667 ( 4752 PWs) bands (ev): -12.2650 -12.2650 -12.2622 -12.2622 -12.2515 -12.2514 -12.2470 -12.2470 -9.7511 -9.7511 -9.7325 -9.7325 -9.6991 -9.6991 -9.6840 -9.6840 -9.6712 -9.6712 -9.6584 -9.6584 -5.8661 -5.8661 -5.7702 -5.7702 -2.0885 -2.0885 -1.6642 -1.6642 2.3243 2.3243 2.6478 2.6478 3.3805 3.3805 3.9294 3.9294 4.3122 4.3122 4.6273 4.6273 6.4958 6.4958 8.1905 8.1905 8.6250 8.6250 9.2500 9.2500 k = 0.5000 0.2887 0.0533 ( 4760 PWs) bands (ev): -12.2651 -12.2651 -12.2621 -12.2621 -12.2515 -12.2515 -12.2469 -12.2469 -9.7514 -9.7514 -9.7323 -9.7323 -9.6994 -9.6994 -9.6838 -9.6838 -9.6713 -9.6713 -9.6582 -9.6582 -5.8678 -5.8678 -5.7687 -5.7687 -2.0934 -2.0934 -1.6544 -1.6544 2.3013 2.3013 2.6338 2.6338 3.3739 3.3739 3.9403 3.9403 4.3461 4.3461 4.6580 4.6580 6.4462 6.4462 8.2026 8.2026 8.6168 8.6168 9.2427 9.2427 k = 0.5000 0.2887 0.0400 ( 4758 PWs) bands (ev): -12.2651 -12.2651 -12.2621 -12.2621 -12.2516 -12.2516 -12.2469 -12.2469 -9.7517 -9.7517 -9.7321 -9.7321 -9.6996 -9.6996 -9.6836 -9.6836 -9.6714 -9.6714 -9.6580 -9.6580 -5.8691 -5.8691 -5.7675 -5.7675 -2.0971 -2.0971 -1.6466 -1.6466 2.2830 2.2830 2.6228 2.6228 3.3687 3.3687 3.9489 3.9489 4.3743 4.3743 4.6823 4.6823 6.4061 6.4061 8.2115 8.2115 8.6114 8.6114 9.2359 9.2359 k = 0.5000 0.2887 0.0267 ( 4754 PWs) bands (ev): -12.2652 -12.2652 -12.2621 -12.2621 -12.2516 -12.2516 -12.2468 -12.2468 -9.7519 -9.7519 -9.7319 -9.7319 -9.6997 -9.6997 -9.6835 -9.6835 -9.6714 -9.6714 -9.6578 -9.6578 -5.8700 -5.8700 -5.7667 -5.7667 -2.0998 -2.0998 -1.6409 -1.6409 2.2697 2.2697 2.6148 2.6148 3.3650 3.3650 3.9551 3.9551 4.3955 4.3955 4.6998 4.6998 6.3764 6.3764 8.2175 8.2175 8.6082 8.6082 9.2304 9.2304 k = 0.5000 0.2887 0.0133 ( 4752 PWs) bands (ev): -12.2652 -12.2652 -12.2621 -12.2621 -12.2517 -12.2517 -12.2468 -12.2468 -9.7520 -9.7520 -9.7318 -9.7318 -9.6998 -9.6998 -9.6834 -9.6834 -9.6715 -9.6715 -9.6577 -9.6577 -5.8706 -5.8706 -5.7662 -5.7662 -2.1015 -2.1015 -1.6375 -1.6375 2.2617 2.2617 2.6100 2.6100 3.3627 3.3627 3.9589 3.9589 4.4087 4.4087 4.7105 4.7105 6.3582 6.3582 8.2209 8.2209 8.6066 8.6066 9.2267 9.2268 k = 0.5000 0.2887-0.0000 ( 4764 PWs) bands (ev): -12.2652 -12.2652 -12.2620 -12.2620 -12.2517 -12.2517 -12.2468 -12.2468 -9.7520 -9.7520 -9.7318 -9.7318 -9.6998 -9.6998 -9.6834 -9.6834 -9.6715 -9.6715 -9.6577 -9.6577 -5.8708 -5.8708 -5.7660 -5.7660 -2.1020 -2.1020 -1.6363 -1.6363 2.2590 2.2590 2.6084 2.6084 3.3620 3.3620 3.9601 3.9601 4.4131 4.4131 4.7140 4.7140 6.3521 6.3521 8.2220 8.2220 8.6062 8.6062 9.2255 9.2255 k = 0.3333 0.5774-0.0000 ( 4725 PWs) bands (ev): -12.2708 -12.2674 -12.2570 -12.2568 -12.2519 -12.2494 -12.2477 -12.2475 -9.7459 -9.7459 -9.7457 -9.7275 -9.6957 -9.6874 -9.6873 -9.6806 -9.6790 -9.6789 -9.6631 -9.6631 -5.7070 -5.7067 -5.6946 -5.6898 -2.2349 -2.2349 -1.5660 -1.5660 2.3661 2.3662 2.7045 2.7176 2.9503 2.9503 3.2506 3.2507 3.3704 3.3780 5.3149 5.3149 7.7591 7.7591 8.2313 8.2313 8.6105 8.6407 9.2637 9.2932 k = 0.3333 0.5774 0.0133 ( 4722 PWs) bands (ev): -12.2708 -12.2674 -12.2570 -12.2568 -12.2519 -12.2494 -12.2477 -12.2475 -9.7459 -9.7459 -9.7457 -9.7275 -9.6957 -9.6874 -9.6872 -9.6807 -9.6790 -9.6789 -9.6632 -9.6631 -5.7070 -5.7067 -5.6946 -5.6898 -2.2340 -2.2340 -1.5675 -1.5675 2.3642 2.3643 2.7022 2.7152 2.9535 2.9536 3.2541 3.2543 3.3738 3.3813 5.3102 5.3102 7.7428 7.7428 8.2463 8.2463 8.5940 8.6226 9.2825 9.3103 k = 0.3333 0.5774 0.0267 ( 4716 PWs) bands (ev): -12.2708 -12.2674 -12.2570 -12.2568 -12.2518 -12.2495 -12.2477 -12.2475 -9.7459 -9.7457 -9.7457 -9.7275 -9.6957 -9.6873 -9.6872 -9.6808 -9.6790 -9.6789 -9.6633 -9.6632 -5.7070 -5.7066 -5.6946 -5.6898 -2.2313 -2.2313 -1.5720 -1.5720 2.3588 2.3589 2.6956 2.7082 2.9632 2.9633 3.2646 3.2647 3.3840 3.3912 5.2964 5.2964 7.6992 7.6992 8.2859 8.2859 8.5492 8.5739 9.3332 9.3572 k = 0.3333 0.5774 0.0400 ( 4725 PWs) bands (ev): -12.2708 -12.2674 -12.2570 -12.2568 -12.2518 -12.2495 -12.2477 -12.2475 -9.7459 -9.7457 -9.7455 -9.7276 -9.6957 -9.6872 -9.6870 -9.6810 -9.6790 -9.6789 -9.6634 -9.6634 -5.7070 -5.7066 -5.6945 -5.6898 -2.2268 -2.2268 -1.5794 -1.5794 2.3500 2.3502 2.6850 2.6970 2.9793 2.9794 3.2815 3.2817 3.4004 3.4070 5.2735 5.2735 7.6383 7.6383 8.3399 8.3399 8.4851 8.5057 9.4048 9.4247 k = 0.3333 0.5774 0.0533 ( 4737 PWs) bands (ev): -12.2707 -12.2675 -12.2570 -12.2568 -12.2518 -12.2495 -12.2477 -12.2475 -9.7459 -9.7457 -9.7452 -9.7276 -9.6957 -9.6870 -9.6869 -9.6812 -9.6789 -9.6788 -9.6637 -9.6636 -5.7070 -5.7066 -5.6944 -5.6899 -2.2205 -2.2205 -1.5897 -1.5897 2.3385 2.3386 2.6713 2.6826 3.0017 3.0017 3.3044 3.3045 3.4219 3.4279 5.2418 5.2418 7.5680 7.5681 8.4006 8.4007 8.4099 8.4269 9.4882 9.5044 k = 0.3333 0.5774 0.0667 ( 4719 PWs) bands (ev): -12.2707 -12.2675 -12.2570 -12.2568 -12.2517 -12.2495 -12.2477 -12.2475 -9.7460 -9.7458 -9.7449 -9.7277 -9.6957 -9.6868 -9.6867 -9.6816 -9.6788 -9.6787 -9.6640 -9.6639 -5.7069 -5.7065 -5.6943 -5.6899 -2.2125 -2.2125 -1.6026 -1.6026 2.3248 2.3249 2.6552 2.6657 3.0302 3.0302 3.3324 3.3326 3.4476 3.4530 5.2019 5.2019 7.4931 7.4932 8.3292 8.3434 8.4632 8.4632 9.5775 9.5907 k = 0.3333 0.5774 0.0800 ( 4731 PWs) bands (ev): -12.2706 -12.2676 -12.2570 -12.2568 -12.2517 -12.2496 -12.2477 -12.2475 -9.7460 -9.7458 -9.7444 -9.7279 -9.6956 -9.6866 -9.6865 -9.6820 -9.6786 -9.6785 -9.6643 -9.6643 -5.7069 -5.7065 -5.6941 -5.6899 -2.2027 -2.2027 -1.6180 -1.6180 2.3095 2.3096 2.6376 2.6473 3.0644 3.0644 3.3649 3.3650 3.4765 3.4812 5.1541 5.1541 7.4165 7.4166 8.2466 8.2584 8.5246 8.5246 9.6194 9.6194 k = 0.3333 0.5774 0.0933 ( 4734 PWs) bands (ev): -12.2706 -12.2676 -12.2569 -12.2568 -12.2517 -12.2496 -12.2477 -12.2475 -9.7460 -9.7458 -9.7439 -9.7280 -9.6955 -9.6864 -9.6862 -9.6824 -9.6785 -9.6784 -9.6647 -9.6647 -5.7068 -5.7064 -5.6940 -5.6899 -2.1913 -2.1913 -1.6357 -1.6357 2.2931 2.2932 2.6192 2.6280 3.1038 3.1038 3.4011 3.4012 3.5075 3.5116 5.0991 5.0991 7.3401 7.3401 8.1644 8.1743 8.5832 8.5832 9.6120 9.6121 k = 0.3333 0.5774 0.1066 ( 4740 PWs) bands (ev): -12.2705 -12.2677 -12.2569 -12.2567 -12.2516 -12.2497 -12.2477 -12.2475 -9.7460 -9.7458 -9.7433 -9.7282 -9.6954 -9.6861 -9.6860 -9.6829 -9.6783 -9.6782 -9.6652 -9.6651 -5.7067 -5.7064 -5.6938 -5.6900 -2.1782 -2.1782 -1.6555 -1.6555 2.2763 2.2764 2.6005 2.6085 3.1477 3.1477 3.4405 3.4406 3.5398 3.5433 5.0374 5.0374 7.2651 7.2652 8.0843 8.0926 8.6378 8.6378 9.6048 9.6049 k = 0.3333 0.5774 0.1200 ( 4746 PWs) bands (ev): -12.2704 -12.2678 -12.2569 -12.2567 -12.2515 -12.2497 -12.2477 -12.2475 -9.7461 -9.7459 -9.7427 -9.7285 -9.6953 -9.6858 -9.6857 -9.6835 -9.6780 -9.6779 -9.6657 -9.6656 -5.7067 -5.7063 -5.6936 -5.6900 -2.1634 -2.1634 -1.6771 -1.6771 2.2596 2.2597 2.5822 2.5894 3.1954 3.1954 3.4828 3.4829 3.5724 3.5755 4.9698 4.9698 7.1928 7.1929 8.0075 8.0145 8.6877 8.6877 9.5978 9.5979 k = 0.3333 0.5774 0.1333 ( 4758 PWs) bands (ev): -12.2703 -12.2679 -12.2569 -12.2567 -12.2515 -12.2498 -12.2477 -12.2475 -9.7461 -9.7459 -9.7420 -9.7288 -9.6950 -9.6856 -9.6854 -9.6841 -9.6777 -9.6776 -9.6662 -9.6662 -5.7066 -5.7062 -5.6934 -5.6901 -2.1471 -2.1471 -1.7004 -1.7004 2.2434 2.2435 2.5647 2.5711 3.2457 3.2457 3.5278 3.5279 3.6047 3.6073 4.8969 4.8969 7.1241 7.1241 7.9350 7.9409 8.7324 8.7324 9.5912 9.5913 k = 0.3333 0.5774 0.1466 ( 4758 PWs) bands (ev): -12.2702 -12.2681 -12.2569 -12.2567 -12.2514 -12.2499 -12.2477 -12.2475 -9.7461 -9.7459 -9.7412 -9.7292 -9.6948 -9.6853 -9.6852 -9.6848 -9.6774 -9.6773 -9.6668 -9.6668 -5.7065 -5.7062 -5.6932 -5.6902 -2.1293 -2.1293 -1.7250 -1.7250 2.2281 2.2282 2.5483 2.5539 3.2971 3.2971 3.5758 3.5759 3.6358 3.6380 4.8196 4.8196 7.0598 7.0598 7.8677 7.8726 8.7718 8.7718 9.5851 9.5852 k = 0.3333 0.5774 0.1600 ( 4758 PWs) bands (ev): -12.2701 -12.2682 -12.2569 -12.2567 -12.2513 -12.2500 -12.2477 -12.2475 -9.7462 -9.7460 -9.7404 -9.7296 -9.6945 -9.6855 -9.6851 -9.6849 -9.6770 -9.6769 -9.6675 -9.6674 -5.7065 -5.7061 -5.6929 -5.6903 -2.1101 -2.1101 -1.7507 -1.7507 2.2139 2.2140 2.5333 2.5382 3.3478 3.3478 3.6273 3.6273 3.6652 3.6669 4.7384 4.7384 7.0007 7.0007 7.8063 7.8104 8.8058 8.8059 9.5796 9.5797 k = 0.3333 0.5774 0.1733 ( 4743 PWs) bands (ev): -12.2700 -12.2683 -12.2568 -12.2566 -12.2512 -12.2500 -12.2477 -12.2475 -9.7462 -9.7460 -9.7396 -9.7302 -9.6941 -9.6862 -9.6849 -9.6847 -9.6765 -9.6764 -9.6681 -9.6681 -5.7064 -5.7060 -5.6927 -5.6904 -2.0895 -2.0895 -1.7773 -1.7773 2.2012 2.2013 2.5200 2.5241 3.3958 3.3958 3.6830 3.6831 3.6921 3.6935 4.6542 4.6542 6.9476 6.9476 7.7516 7.7550 8.8346 8.8347 9.5747 9.5748 k = 0.3333 0.5774 0.1866 ( 4743 PWs) bands (ev): -12.2698 -12.2684 -12.2568 -12.2566 -12.2511 -12.2501 -12.2477 -12.2475 -9.7462 -9.7460 -9.7387 -9.7307 -9.6937 -9.6870 -9.6847 -9.6845 -9.6760 -9.6759 -9.6688 -9.6687 -5.7063 -5.7060 -5.6925 -5.6905 -2.0676 -2.0676 -1.8045 -1.8045 2.1901 2.1902 2.5084 2.5119 3.4390 3.4391 3.7159 3.7171 3.7439 3.7439 4.5678 4.5678 6.9012 6.9013 7.7042 7.7069 8.8585 8.8585 9.5705 9.5706 k = 0.3333 0.5774 0.2000 ( 4737 PWs) bands (ev): -12.2697 -12.2686 -12.2568 -12.2566 -12.2510 -12.2502 -12.2477 -12.2475 -9.7462 -9.7460 -9.7379 -9.7314 -9.6932 -9.6877 -9.6846 -9.6844 -9.6755 -9.6754 -9.6695 -9.6694 -5.7063 -5.7059 -5.6922 -5.6906 -2.0445 -2.0445 -1.8321 -1.8321 2.1808 2.1809 2.4989 2.5016 3.4758 3.4759 3.7363 3.7371 3.8103 3.8103 4.4797 4.4797 6.8622 6.8623 7.6646 7.6667 8.8775 8.8776 9.5670 9.5671 k = 0.3333 0.5774 0.2133 ( 4743 PWs) bands (ev): -12.2696 -12.2687 -12.2568 -12.2566 -12.2509 -12.2503 -12.2477 -12.2475 -9.7462 -9.7461 -9.7370 -9.7320 -9.6926 -9.6885 -9.6844 -9.6842 -9.6749 -9.6748 -9.6702 -9.6701 -5.7063 -5.7059 -5.6920 -5.6908 -2.0204 -2.0204 -1.8599 -1.8599 2.1735 2.1736 2.4914 2.4935 3.5050 3.5051 3.7526 3.7532 3.8822 3.8823 4.3909 4.3909 6.8312 6.8313 7.6333 7.6348 8.8920 8.8921 9.5643 9.5644 k = 0.3333 0.5774 0.2266 ( 4737 PWs) bands (ev): -12.2694 -12.2688 -12.2568 -12.2566 -12.2508 -12.2504 -12.2477 -12.2475 -9.7463 -9.7461 -9.7361 -9.7328 -9.6920 -9.6892 -9.6844 -9.6842 -9.6744 -9.6743 -9.6708 -9.6707 -5.7062 -5.7059 -5.6918 -5.6909 -1.9952 -1.9952 -1.8877 -1.8877 2.1682 2.1683 2.4861 2.4875 3.5260 3.5261 3.7646 3.7650 3.9591 3.9591 4.3021 4.3021 6.8087 6.8088 7.6108 7.6118 8.9022 8.9023 9.5623 9.5624 k = 0.3333 0.5774 0.2400 ( 4746 PWs) bands (ev): -12.2693 -12.2690 -12.2568 -12.2566 -12.2508 -12.2505 -12.2477 -12.2475 -9.7463 -9.7461 -9.7352 -9.7336 -9.6914 -9.6900 -9.6843 -9.6841 -9.6739 -9.6738 -9.6714 -9.6712 -5.7062 -5.7058 -5.6916 -5.6911 -1.9693 -1.9693 -1.9153 -1.9153 2.1650 2.1651 2.4831 2.4838 3.5387 3.5388 3.7719 3.7721 4.0395 4.0396 4.2145 4.2145 6.7950 6.7951 7.5972 7.5977 8.9083 8.9084 9.5611 9.5612 k = 0.3333 0.5774 0.2533 ( 4746 PWs) bands (ev): -12.2692 -12.2690 -12.2568 -12.2566 -12.2507 -12.2505 -12.2477 -12.2475 -9.7463 -9.7461 -9.7345 -9.7343 -9.6908 -9.6906 -9.6843 -9.6841 -9.6737 -9.6735 -9.6716 -9.6714 -5.7062 -5.7058 -5.6915 -5.6911 -1.9445 -1.9444 -1.9407 -1.9407 2.1639 2.1640 2.4822 2.4823 3.5429 3.5430 3.7744 3.7745 4.1085 4.1087 4.1430 4.1432 6.7905 6.7905 7.5928 7.5928 8.9103 8.9104 9.5607 9.5609 Writing output data file PbS.save init_run : 3.24s CPU 13.73s WALL ( 1 calls) electrons : 538.09s CPU 546.29s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.58s CPU 1.49s WALL ( 1 calls) Called by electrons: c_bands : 538.06s CPU 545.91s WALL ( 1 calls) v_of_rho : 0.31s CPU 0.93s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.31s CPU 0.57s WALL ( 1 calls) newd : 0.56s CPU 0.67s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.07s WALL ( 302 calls) cegterg : 409.88s CPU 412.78s WALL ( 608 calls) Called by sum_band: Called by *egterg: h_psi : 203.62s CPU 209.10s WALL ( 8472 calls) s_psi : 23.29s CPU 23.61s WALL ( 8472 calls) g_psi : 0.52s CPU 0.61s WALL ( 7562 calls) cdiaghg : 126.01s CPU 124.54s WALL ( 7864 calls) cegterg:over : 39.16s CPU 36.83s WALL ( 7562 calls) cegterg:upda : 7.41s CPU 9.69s WALL ( 7562 calls) cegterg:last : 6.49s CPU 7.07s WALL ( 1514 calls) Called by h_psi: h_psi:vloc : 159.54s CPU 163.65s WALL ( 8472 calls) h_psi:vnl : 43.91s CPU 44.92s WALL ( 8472 calls) add_vuspsi : 15.16s CPU 18.09s WALL ( 8472 calls) General routines calbec : 28.73s CPU 26.79s WALL ( 8472 calls) fft : 0.54s CPU 1.52s WALL ( 19 calls) ffts : 0.02s CPU 0.09s WALL ( 4 calls) fftw : 152.58s CPU 156.27s WALL ( 876348 calls) interpolate : 0.06s CPU 0.16s WALL ( 4 calls) davcio : 0.03s CPU 6.66s WALL ( 604 calls) Parallel routines fft_scatter : 104.81s CPU 103.22s WALL ( 876371 calls) PWSCF : 10m26.70s CPU 13m10.34s WALL This run was terminated on: 11:58:57 26Jun2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=