Program PWSCF v.5.1.1 starts on 31Jul2015 at 0:36:55 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: ./AlSb.save/ file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 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 23 10 3 1009 324 55 Max 24 11 4 1015 347 62 Sum 1111 517 163 48599 16089 2743 bravais-lattice index = 14 lattice parameter (alat) = 8.1485 a.u. unit-cell volume = 764.7754 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 16.00 number of Kohn-Sham states= 24 kinetic-energy cutoff = 29.0000 Ry charge density cutoff = 242.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.148498 celldm(2)= 1.000000 celldm(3)= 1.632189 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 1.632189 ) 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 0.612674 ) PseudoPot. # 1 for Sb read from file: /home/autes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 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 Al read from file: /home/autes/Pseudo/Al.rel-pbe-nl-rrkjus_psl.1.0.0.UPF MD5 check sum: d18dd1d035d87b93e5ebab176be81bd5 Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Sb 5.00 121.76000 Sb( 1.00) Al 3.00 26.98150 Al( 1.00) 12 Sym. Ops. (no inversion) found ( 6 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8160946 ) isym = 3 60 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 1 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 3) = ( 0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8160946 ) isym = 4 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 4) = ( 0.5000000 0.8660254 -0.0000000 ) f =( -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8160946 ) isym = 5 120 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 0 1 0 ) ( -1 -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 = 6 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( -1 -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 ) isym = 7 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 7) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 7) = ( 1.0000000 -0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8160946 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 9) = ( -0.5000000 0.8660254 0.0000000 ) f =( -0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8160946 ) isym = 10 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(10) = ( -0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8160946 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_6v (6mm) there are 9 classes and 3 irreducible representations the character table: E -E C2 2C3 -2C3 2C6 -2C6 3s_v 3s_d -C2 -3s_v -3s_d G_7 2.00 -2.00 0.00 1.00 -1.00 1.73 -1.73 0.00 0.00 G_8 2.00 -2.00 0.00 1.00 -1.00 -1.73 1.73 0.00 0.00 G_9 2.00 -2.00 0.00 -2.00 2.00 0.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 C2 -C2 2 -2 2C6 3 4 2C3 5 6 3s_v-3s_v 7 -7 9 10 -10 -9 3s_d-3s_d 8 -8 12 -11 11 -12 -E -1 -2C6 -3 -4 -2C3 -5 -6 Cartesian axes number of k points= 312 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032051 k( 2) = ( 0.0116279 0.0067134 -0.0000000), wk = 0.0032051 k( 3) = ( 0.0232558 0.0134267 -0.0000000), wk = 0.0032051 k( 4) = ( 0.0348837 0.0201401 -0.0000000), wk = 0.0032051 k( 5) = ( 0.0465116 0.0268535 -0.0000000), wk = 0.0032051 k( 6) = ( 0.0581395 0.0335669 -0.0000000), wk = 0.0032051 k( 7) = ( 0.0697674 0.0402803 -0.0000000), wk = 0.0032051 k( 8) = ( 0.0813954 0.0469936 -0.0000000), wk = 0.0032051 k( 9) = ( 0.0930233 0.0537070 -0.0000000), wk = 0.0032051 k( 10) = ( 0.1046512 0.0604204 -0.0000000), wk = 0.0032051 k( 11) = ( 0.1162791 0.0671338 -0.0000000), wk = 0.0032051 k( 12) = ( 0.1279070 0.0738471 -0.0000000), wk = 0.0032051 k( 13) = ( 0.1395349 0.0805605 -0.0000000), wk = 0.0032051 k( 14) = ( 0.1511628 0.0872739 -0.0000000), wk = 0.0032051 k( 15) = ( 0.1627907 0.0939873 -0.0000000), wk = 0.0032051 k( 16) = ( 0.1744186 0.1007006 -0.0000000), wk = 0.0032051 k( 17) = ( 0.1860465 0.1074140 -0.0000000), wk = 0.0032051 k( 18) = ( 0.1976744 0.1141274 -0.0000000), wk = 0.0032051 k( 19) = ( 0.2093023 0.1208408 -0.0000000), wk = 0.0032051 k( 20) = ( 0.2209302 0.1275541 -0.0000000), wk = 0.0032051 k( 21) = ( 0.2325581 0.1342675 -0.0000000), wk = 0.0032051 k( 22) = ( 0.2441860 0.1409809 -0.0000000), wk = 0.0032051 k( 23) = ( 0.2558140 0.1476943 -0.0000000), wk = 0.0032051 k( 24) = ( 0.2674419 0.1544076 -0.0000000), wk = 0.0032051 k( 25) = ( 0.2790698 0.1611210 -0.0000000), wk = 0.0032051 k( 26) = ( 0.2906977 0.1678344 -0.0000000), wk = 0.0032051 k( 27) = ( 0.3023256 0.1745478 -0.0000000), wk = 0.0032051 k( 28) = ( 0.3139535 0.1812611 -0.0000000), wk = 0.0032051 k( 29) = ( 0.3255814 0.1879745 -0.0000000), wk = 0.0032051 k( 30) = ( 0.3372093 0.1946879 -0.0000000), wk = 0.0032051 k( 31) = ( 0.3488372 0.2014013 -0.0000000), wk = 0.0032051 k( 32) = ( 0.3604651 0.2081146 -0.0000000), wk = 0.0032051 k( 33) = ( 0.3720930 0.2148280 -0.0000000), wk = 0.0032051 k( 34) = ( 0.3837209 0.2215414 -0.0000000), wk = 0.0032051 k( 35) = ( 0.3953488 0.2282548 -0.0000000), wk = 0.0032051 k( 36) = ( 0.4069767 0.2349681 -0.0000000), wk = 0.0032051 k( 37) = ( 0.4186047 0.2416815 -0.0000000), wk = 0.0032051 k( 38) = ( 0.4302326 0.2483949 -0.0000000), wk = 0.0032051 k( 39) = ( 0.4418605 0.2551083 -0.0000000), wk = 0.0032051 k( 40) = ( 0.4534884 0.2618216 -0.0000000), wk = 0.0032051 k( 41) = ( 0.4651163 0.2685350 -0.0000000), wk = 0.0032051 k( 42) = ( 0.4767442 0.2752484 -0.0000000), wk = 0.0032051 k( 43) = ( 0.4883721 0.2819618 -0.0000000), wk = 0.0032051 k( 44) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0032051 k( 45) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0032051 k( 46) = ( 0.4933333 0.3002221 -0.0000000), wk = 0.0032051 k( 47) = ( 0.4866667 0.3117692 -0.0000000), wk = 0.0032051 k( 48) = ( 0.4800000 0.3233162 -0.0000000), wk = 0.0032051 k( 49) = ( 0.4733333 0.3348632 -0.0000000), wk = 0.0032051 k( 50) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0032051 k( 51) = ( 0.4600000 0.3579572 -0.0000000), wk = 0.0032051 k( 52) = ( 0.4533333 0.3695042 -0.0000000), wk = 0.0032051 k( 53) = ( 0.4466667 0.3810512 -0.0000000), wk = 0.0032051 k( 54) = ( 0.4400000 0.3925982 -0.0000000), wk = 0.0032051 k( 55) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0032051 k( 56) = ( 0.4266667 0.4156922 -0.0000000), wk = 0.0032051 k( 57) = ( 0.4200000 0.4272392 -0.0000000), wk = 0.0032051 k( 58) = ( 0.4133333 0.4387862 -0.0000000), wk = 0.0032051 k( 59) = ( 0.4066667 0.4503332 -0.0000000), wk = 0.0032051 k( 60) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0032051 k( 61) = ( 0.3933333 0.4734272 -0.0000000), wk = 0.0032051 k( 62) = ( 0.3866667 0.4849742 -0.0000000), wk = 0.0032051 k( 63) = ( 0.3800000 0.4965212 -0.0000000), wk = 0.0032051 k( 64) = ( 0.3733333 0.5080682 -0.0000000), wk = 0.0032051 k( 65) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0032051 k( 66) = ( 0.3600000 0.5311622 -0.0000000), wk = 0.0032051 k( 67) = ( 0.3533333 0.5427092 -0.0000000), wk = 0.0032051 k( 68) = ( 0.3466667 0.5542563 -0.0000000), wk = 0.0032051 k( 69) = ( 0.3400000 0.5658033 -0.0000000), wk = 0.0032051 k( 70) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0032051 k( 71) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0032051 k( 72) = ( 0.3265306 0.5655676 -0.0000000), wk = 0.0032051 k( 73) = ( 0.3197279 0.5537850 -0.0000000), wk = 0.0032051 k( 74) = ( 0.3129252 0.5420023 -0.0000000), wk = 0.0032051 k( 75) = ( 0.3061224 0.5302196 -0.0000000), wk = 0.0032051 k( 76) = ( 0.2993197 0.5184370 -0.0000000), wk = 0.0032051 k( 77) = ( 0.2925170 0.5066543 -0.0000000), wk = 0.0032051 k( 78) = ( 0.2857143 0.4948717 -0.0000000), wk = 0.0032051 k( 79) = ( 0.2789116 0.4830890 -0.0000000), wk = 0.0032051 k( 80) = ( 0.2721088 0.4713063 -0.0000000), wk = 0.0032051 k( 81) = ( 0.2653061 0.4595237 -0.0000000), wk = 0.0032051 k( 82) = ( 0.2585034 0.4477410 -0.0000000), wk = 0.0032051 k( 83) = ( 0.2517007 0.4359584 -0.0000000), wk = 0.0032051 k( 84) = ( 0.2448980 0.4241757 -0.0000000), wk = 0.0032051 k( 85) = ( 0.2380952 0.4123931 -0.0000000), wk = 0.0032051 k( 86) = ( 0.2312925 0.4006104 -0.0000000), wk = 0.0032051 k( 87) = ( 0.2244898 0.3888277 -0.0000000), wk = 0.0032051 k( 88) = ( 0.2176871 0.3770451 -0.0000000), wk = 0.0032051 k( 89) = ( 0.2108843 0.3652624 -0.0000000), wk = 0.0032051 k( 90) = ( 0.2040816 0.3534798 -0.0000000), wk = 0.0032051 k( 91) = ( 0.1972789 0.3416971 -0.0000000), wk = 0.0032051 k( 92) = ( 0.1904762 0.3299144 -0.0000000), wk = 0.0032051 k( 93) = ( 0.1836735 0.3181318 -0.0000000), wk = 0.0032051 k( 94) = ( 0.1768707 0.3063491 -0.0000000), wk = 0.0032051 k( 95) = ( 0.1700680 0.2945665 -0.0000000), wk = 0.0032051 k( 96) = ( 0.1632653 0.2827838 -0.0000000), wk = 0.0032051 k( 97) = ( 0.1564626 0.2710012 -0.0000000), wk = 0.0032051 k( 98) = ( 0.1496599 0.2592185 -0.0000000), wk = 0.0032051 k( 99) = ( 0.1428571 0.2474358 -0.0000000), wk = 0.0032051 k( 100) = ( 0.1360544 0.2356532 -0.0000000), wk = 0.0032051 k( 101) = ( 0.1292517 0.2238705 -0.0000000), wk = 0.0032051 k( 102) = ( 0.1224490 0.2120879 -0.0000000), wk = 0.0032051 k( 103) = ( 0.1156463 0.2003052 -0.0000000), wk = 0.0032051 k( 104) = ( 0.1088435 0.1885225 -0.0000000), wk = 0.0032051 k( 105) = ( 0.1020408 0.1767399 -0.0000000), wk = 0.0032051 k( 106) = ( 0.0952381 0.1649572 -0.0000000), wk = 0.0032051 k( 107) = ( 0.0884354 0.1531746 -0.0000000), wk = 0.0032051 k( 108) = ( 0.0816327 0.1413919 -0.0000000), wk = 0.0032051 k( 109) = ( 0.0748299 0.1296092 -0.0000000), wk = 0.0032051 k( 110) = ( 0.0680272 0.1178266 -0.0000000), wk = 0.0032051 k( 111) = ( 0.0612245 0.1060439 -0.0000000), wk = 0.0032051 k( 112) = ( 0.0544218 0.0942613 -0.0000000), wk = 0.0032051 k( 113) = ( 0.0476191 0.0824786 -0.0000000), wk = 0.0032051 k( 114) = ( 0.0408163 0.0706960 -0.0000000), wk = 0.0032051 k( 115) = ( 0.0340136 0.0589133 -0.0000000), wk = 0.0032051 k( 116) = ( 0.0272109 0.0471306 -0.0000000), wk = 0.0032051 k( 117) = ( 0.0204082 0.0353480 -0.0000000), wk = 0.0032051 k( 118) = ( 0.0136054 0.0235653 -0.0000000), wk = 0.0032051 k( 119) = ( 0.0068027 0.0117827 -0.0000000), wk = 0.0032051 k( 120) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032051 k( 121) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032051 k( 122) = ( 0.0000000 0.0000000 0.0133190), wk = 0.0032051 k( 123) = ( 0.0000000 0.0000000 0.0266380), wk = 0.0032051 k( 124) = ( 0.0000000 0.0000000 0.0399570), wk = 0.0032051 k( 125) = ( 0.0000000 0.0000000 0.0532760), wk = 0.0032051 k( 126) = ( 0.0000000 0.0000000 0.0665950), wk = 0.0032051 k( 127) = ( 0.0000000 0.0000000 0.0799140), wk = 0.0032051 k( 128) = ( 0.0000000 0.0000000 0.0932330), wk = 0.0032051 k( 129) = ( 0.0000000 0.0000000 0.1065520), wk = 0.0032051 k( 130) = ( 0.0000000 0.0000000 0.1198710), wk = 0.0032051 k( 131) = ( 0.0000000 0.0000000 0.1331900), wk = 0.0032051 k( 132) = ( 0.0000000 0.0000000 0.1465090), wk = 0.0032051 k( 133) = ( 0.0000000 0.0000000 0.1598280), wk = 0.0032051 k( 134) = ( 0.0000000 0.0000000 0.1731470), wk = 0.0032051 k( 135) = ( 0.0000000 0.0000000 0.1864660), wk = 0.0032051 k( 136) = ( 0.0000000 0.0000000 0.1997850), wk = 0.0032051 k( 137) = ( 0.0000000 0.0000000 0.2131040), wk = 0.0032051 k( 138) = ( 0.0000000 0.0000000 0.2264230), wk = 0.0032051 k( 139) = ( 0.0000000 0.0000000 0.2397420), wk = 0.0032051 k( 140) = ( 0.0000000 0.0000000 0.2530610), wk = 0.0032051 k( 141) = ( 0.0000000 0.0000000 0.2663800), wk = 0.0032051 k( 142) = ( 0.0000000 0.0000000 0.2796990), wk = 0.0032051 k( 143) = ( 0.0000000 0.0000000 0.2930180), wk = 0.0032051 k( 144) = ( 0.0000000 0.0000000 0.3063370), wk = 0.0032051 k( 145) = ( 0.0000000 0.0000000 0.3063370), wk = 0.0032051 k( 146) = ( 0.0116279 0.0067134 0.3063370), wk = 0.0032051 k( 147) = ( 0.0232558 0.0134267 0.3063370), wk = 0.0032051 k( 148) = ( 0.0348837 0.0201401 0.3063370), wk = 0.0032051 k( 149) = ( 0.0465116 0.0268535 0.3063370), wk = 0.0032051 k( 150) = ( 0.0581395 0.0335669 0.3063370), wk = 0.0032051 k( 151) = ( 0.0697674 0.0402803 0.3063370), wk = 0.0032051 k( 152) = ( 0.0813954 0.0469936 0.3063370), wk = 0.0032051 k( 153) = ( 0.0930233 0.0537070 0.3063370), wk = 0.0032051 k( 154) = ( 0.1046512 0.0604204 0.3063370), wk = 0.0032051 k( 155) = ( 0.1162791 0.0671338 0.3063370), wk = 0.0032051 k( 156) = ( 0.1279070 0.0738471 0.3063370), wk = 0.0032051 k( 157) = ( 0.1395349 0.0805605 0.3063370), wk = 0.0032051 k( 158) = ( 0.1511628 0.0872739 0.3063370), wk = 0.0032051 k( 159) = ( 0.1627907 0.0939873 0.3063370), wk = 0.0032051 k( 160) = ( 0.1744186 0.1007006 0.3063370), wk = 0.0032051 k( 161) = ( 0.1860465 0.1074140 0.3063370), wk = 0.0032051 k( 162) = ( 0.1976744 0.1141274 0.3063370), wk = 0.0032051 k( 163) = ( 0.2093023 0.1208408 0.3063370), wk = 0.0032051 k( 164) = ( 0.2209302 0.1275541 0.3063370), wk = 0.0032051 k( 165) = ( 0.2325581 0.1342675 0.3063370), wk = 0.0032051 k( 166) = ( 0.2441860 0.1409809 0.3063370), wk = 0.0032051 k( 167) = ( 0.2558140 0.1476943 0.3063370), wk = 0.0032051 k( 168) = ( 0.2674419 0.1544076 0.3063370), wk = 0.0032051 k( 169) = ( 0.2790698 0.1611210 0.3063370), wk = 0.0032051 k( 170) = ( 0.2906977 0.1678344 0.3063370), wk = 0.0032051 k( 171) = ( 0.3023256 0.1745478 0.3063370), wk = 0.0032051 k( 172) = ( 0.3139535 0.1812611 0.3063370), wk = 0.0032051 k( 173) = ( 0.3255814 0.1879745 0.3063370), wk = 0.0032051 k( 174) = ( 0.3372093 0.1946879 0.3063370), wk = 0.0032051 k( 175) = ( 0.3488372 0.2014013 0.3063370), wk = 0.0032051 k( 176) = ( 0.3604651 0.2081146 0.3063370), wk = 0.0032051 k( 177) = ( 0.3720930 0.2148280 0.3063370), wk = 0.0032051 k( 178) = ( 0.3837209 0.2215414 0.3063370), wk = 0.0032051 k( 179) = ( 0.3953488 0.2282548 0.3063370), wk = 0.0032051 k( 180) = ( 0.4069767 0.2349681 0.3063370), wk = 0.0032051 k( 181) = ( 0.4186047 0.2416815 0.3063370), wk = 0.0032051 k( 182) = ( 0.4302326 0.2483949 0.3063370), wk = 0.0032051 k( 183) = ( 0.4418605 0.2551083 0.3063370), wk = 0.0032051 k( 184) = ( 0.4534884 0.2618216 0.3063370), wk = 0.0032051 k( 185) = ( 0.4651163 0.2685350 0.3063370), wk = 0.0032051 k( 186) = ( 0.4767442 0.2752484 0.3063370), wk = 0.0032051 k( 187) = ( 0.4883721 0.2819618 0.3063370), wk = 0.0032051 k( 188) = ( 0.5000000 0.2886751 0.3063370), wk = 0.0032051 k( 189) = ( 0.5000000 0.2886751 0.3063370), wk = 0.0032051 k( 190) = ( 0.4933333 0.3002221 0.3063370), wk = 0.0032051 k( 191) = ( 0.4866667 0.3117692 0.3063370), wk = 0.0032051 k( 192) = ( 0.4800000 0.3233162 0.3063370), wk = 0.0032051 k( 193) = ( 0.4733333 0.3348632 0.3063370), wk = 0.0032051 k( 194) = ( 0.4666667 0.3464102 0.3063370), wk = 0.0032051 k( 195) = ( 0.4600000 0.3579572 0.3063370), wk = 0.0032051 k( 196) = ( 0.4533333 0.3695042 0.3063370), wk = 0.0032051 k( 197) = ( 0.4466667 0.3810512 0.3063370), wk = 0.0032051 k( 198) = ( 0.4400000 0.3925982 0.3063370), wk = 0.0032051 k( 199) = ( 0.4333333 0.4041452 0.3063370), wk = 0.0032051 k( 200) = ( 0.4266667 0.4156922 0.3063370), wk = 0.0032051 k( 201) = ( 0.4200000 0.4272392 0.3063370), wk = 0.0032051 k( 202) = ( 0.4133333 0.4387862 0.3063370), wk = 0.0032051 k( 203) = ( 0.4066667 0.4503332 0.3063370), wk = 0.0032051 k( 204) = ( 0.4000000 0.4618802 0.3063370), wk = 0.0032051 k( 205) = ( 0.3933333 0.4734272 0.3063370), wk = 0.0032051 k( 206) = ( 0.3866667 0.4849742 0.3063370), wk = 0.0032051 k( 207) = ( 0.3800000 0.4965212 0.3063370), wk = 0.0032051 k( 208) = ( 0.3733333 0.5080682 0.3063370), wk = 0.0032051 k( 209) = ( 0.3666667 0.5196152 0.3063370), wk = 0.0032051 k( 210) = ( 0.3600000 0.5311622 0.3063370), wk = 0.0032051 k( 211) = ( 0.3533333 0.5427092 0.3063370), wk = 0.0032051 k( 212) = ( 0.3466667 0.5542563 0.3063370), wk = 0.0032051 k( 213) = ( 0.3400000 0.5658033 0.3063370), wk = 0.0032051 k( 214) = ( 0.3333333 0.5773503 0.3063370), wk = 0.0032051 k( 215) = ( 0.3333333 0.5773503 0.3063370), wk = 0.0032051 k( 216) = ( 0.3265306 0.5655676 0.3063370), wk = 0.0032051 k( 217) = ( 0.3197279 0.5537850 0.3063370), wk = 0.0032051 k( 218) = ( 0.3129252 0.5420023 0.3063370), wk = 0.0032051 k( 219) = ( 0.3061224 0.5302196 0.3063370), wk = 0.0032051 k( 220) = ( 0.2993197 0.5184370 0.3063370), wk = 0.0032051 k( 221) = ( 0.2925170 0.5066543 0.3063370), wk = 0.0032051 k( 222) = ( 0.2857143 0.4948717 0.3063370), wk = 0.0032051 k( 223) = ( 0.2789116 0.4830890 0.3063370), wk = 0.0032051 k( 224) = ( 0.2721088 0.4713063 0.3063370), wk = 0.0032051 k( 225) = ( 0.2653061 0.4595237 0.3063370), wk = 0.0032051 k( 226) = ( 0.2585034 0.4477410 0.3063370), wk = 0.0032051 k( 227) = ( 0.2517007 0.4359584 0.3063370), wk = 0.0032051 k( 228) = ( 0.2448980 0.4241757 0.3063370), wk = 0.0032051 k( 229) = ( 0.2380952 0.4123931 0.3063370), wk = 0.0032051 k( 230) = ( 0.2312925 0.4006104 0.3063370), wk = 0.0032051 k( 231) = ( 0.2244898 0.3888277 0.3063370), wk = 0.0032051 k( 232) = ( 0.2176871 0.3770451 0.3063370), wk = 0.0032051 k( 233) = ( 0.2108843 0.3652624 0.3063370), wk = 0.0032051 k( 234) = ( 0.2040816 0.3534798 0.3063370), wk = 0.0032051 k( 235) = ( 0.1972789 0.3416971 0.3063370), wk = 0.0032051 k( 236) = ( 0.1904762 0.3299144 0.3063370), wk = 0.0032051 k( 237) = ( 0.1836735 0.3181318 0.3063370), wk = 0.0032051 k( 238) = ( 0.1768707 0.3063491 0.3063370), wk = 0.0032051 k( 239) = ( 0.1700680 0.2945665 0.3063370), wk = 0.0032051 k( 240) = ( 0.1632653 0.2827838 0.3063370), wk = 0.0032051 k( 241) = ( 0.1564626 0.2710012 0.3063370), wk = 0.0032051 k( 242) = ( 0.1496599 0.2592185 0.3063370), wk = 0.0032051 k( 243) = ( 0.1428571 0.2474358 0.3063370), wk = 0.0032051 k( 244) = ( 0.1360544 0.2356532 0.3063370), wk = 0.0032051 k( 245) = ( 0.1292517 0.2238705 0.3063370), wk = 0.0032051 k( 246) = ( 0.1224490 0.2120879 0.3063370), wk = 0.0032051 k( 247) = ( 0.1156463 0.2003052 0.3063370), wk = 0.0032051 k( 248) = ( 0.1088435 0.1885225 0.3063370), wk = 0.0032051 k( 249) = ( 0.1020408 0.1767399 0.3063370), wk = 0.0032051 k( 250) = ( 0.0952381 0.1649572 0.3063370), wk = 0.0032051 k( 251) = ( 0.0884354 0.1531746 0.3063370), wk = 0.0032051 k( 252) = ( 0.0816327 0.1413919 0.3063370), wk = 0.0032051 k( 253) = ( 0.0748299 0.1296092 0.3063370), wk = 0.0032051 k( 254) = ( 0.0680272 0.1178266 0.3063370), wk = 0.0032051 k( 255) = ( 0.0612245 0.1060439 0.3063370), wk = 0.0032051 k( 256) = ( 0.0544218 0.0942613 0.3063370), wk = 0.0032051 k( 257) = ( 0.0476191 0.0824786 0.3063370), wk = 0.0032051 k( 258) = ( 0.0408163 0.0706960 0.3063370), wk = 0.0032051 k( 259) = ( 0.0340136 0.0589133 0.3063370), wk = 0.0032051 k( 260) = ( 0.0272109 0.0471306 0.3063370), wk = 0.0032051 k( 261) = ( 0.0204082 0.0353480 0.3063370), wk = 0.0032051 k( 262) = ( 0.0136054 0.0235653 0.3063370), wk = 0.0032051 k( 263) = ( 0.0068027 0.0117827 0.3063370), wk = 0.0032051 k( 264) = ( 0.0000000 0.0000000 0.3063370), wk = 0.0032051 k( 265) = ( 0.5000000 0.2886751 0.3063370), wk = 0.0032051 k( 266) = ( 0.5000000 0.2886751 0.2930180), wk = 0.0032051 k( 267) = ( 0.5000000 0.2886751 0.2796990), wk = 0.0032051 k( 268) = ( 0.5000000 0.2886751 0.2663800), wk = 0.0032051 k( 269) = ( 0.5000000 0.2886751 0.2530610), wk = 0.0032051 k( 270) = ( 0.5000000 0.2886751 0.2397420), wk = 0.0032051 k( 271) = ( 0.5000000 0.2886751 0.2264230), wk = 0.0032051 k( 272) = ( 0.5000000 0.2886751 0.2131040), wk = 0.0032051 k( 273) = ( 0.5000000 0.2886751 0.1997850), wk = 0.0032051 k( 274) = ( 0.5000000 0.2886751 0.1864660), wk = 0.0032051 k( 275) = ( 0.5000000 0.2886751 0.1731470), wk = 0.0032051 k( 276) = ( 0.5000000 0.2886751 0.1598280), wk = 0.0032051 k( 277) = ( 0.5000000 0.2886751 0.1465090), wk = 0.0032051 k( 278) = ( 0.5000000 0.2886751 0.1331900), wk = 0.0032051 k( 279) = ( 0.5000000 0.2886751 0.1198710), wk = 0.0032051 k( 280) = ( 0.5000000 0.2886751 0.1065520), wk = 0.0032051 k( 281) = ( 0.5000000 0.2886751 0.0932330), wk = 0.0032051 k( 282) = ( 0.5000000 0.2886751 0.0799140), wk = 0.0032051 k( 283) = ( 0.5000000 0.2886751 0.0665950), wk = 0.0032051 k( 284) = ( 0.5000000 0.2886751 0.0532760), wk = 0.0032051 k( 285) = ( 0.5000000 0.2886751 0.0399570), wk = 0.0032051 k( 286) = ( 0.5000000 0.2886751 0.0266380), wk = 0.0032051 k( 287) = ( 0.5000000 0.2886751 0.0133190), wk = 0.0032051 k( 288) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0032051 k( 289) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0032051 k( 290) = ( 0.3333333 0.5773503 0.0133190), wk = 0.0032051 k( 291) = ( 0.3333333 0.5773503 0.0266380), wk = 0.0032051 k( 292) = ( 0.3333333 0.5773503 0.0399570), wk = 0.0032051 k( 293) = ( 0.3333333 0.5773503 0.0532760), wk = 0.0032051 k( 294) = ( 0.3333333 0.5773503 0.0665950), wk = 0.0032051 k( 295) = ( 0.3333333 0.5773503 0.0799140), wk = 0.0032051 k( 296) = ( 0.3333333 0.5773503 0.0932330), wk = 0.0032051 k( 297) = ( 0.3333333 0.5773503 0.1065520), wk = 0.0032051 k( 298) = ( 0.3333333 0.5773503 0.1198710), wk = 0.0032051 k( 299) = ( 0.3333333 0.5773503 0.1331900), wk = 0.0032051 k( 300) = ( 0.3333333 0.5773503 0.1465090), wk = 0.0032051 k( 301) = ( 0.3333333 0.5773503 0.1598280), wk = 0.0032051 k( 302) = ( 0.3333333 0.5773503 0.1731470), wk = 0.0032051 k( 303) = ( 0.3333333 0.5773503 0.1864660), wk = 0.0032051 k( 304) = ( 0.3333333 0.5773503 0.1997850), wk = 0.0032051 k( 305) = ( 0.3333333 0.5773503 0.2131040), wk = 0.0032051 k( 306) = ( 0.3333333 0.5773503 0.2264230), wk = 0.0032051 k( 307) = ( 0.3333333 0.5773503 0.2397420), wk = 0.0032051 k( 308) = ( 0.3333333 0.5773503 0.2530610), wk = 0.0032051 k( 309) = ( 0.3333333 0.5773503 0.2663800), wk = 0.0032051 k( 310) = ( 0.3333333 0.5773503 0.2796990), wk = 0.0032051 k( 311) = ( 0.3333333 0.5773503 0.2930180), wk = 0.0032051 k( 312) = ( 0.3333333 0.5773503 0.3063370), wk = 0.0032051 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032051 k( 2) = ( 0.0116279 0.0000000 0.0000000), wk = 0.0032051 k( 3) = ( 0.0232558 0.0000000 0.0000000), wk = 0.0032051 k( 4) = ( 0.0348837 0.0000000 0.0000000), wk = 0.0032051 k( 5) = ( 0.0465116 0.0000000 0.0000000), wk = 0.0032051 k( 6) = ( 0.0581395 0.0000000 0.0000000), wk = 0.0032051 k( 7) = ( 0.0697674 0.0000000 0.0000000), wk = 0.0032051 k( 8) = ( 0.0813954 0.0000000 0.0000000), wk = 0.0032051 k( 9) = ( 0.0930233 0.0000000 0.0000000), wk = 0.0032051 k( 10) = ( 0.1046512 -0.0000000 0.0000000), wk = 0.0032051 k( 11) = ( 0.1162791 0.0000000 0.0000000), wk = 0.0032051 k( 12) = ( 0.1279070 0.0000000 0.0000000), wk = 0.0032051 k( 13) = ( 0.1395349 0.0000000 0.0000000), wk = 0.0032051 k( 14) = ( 0.1511628 0.0000000 0.0000000), wk = 0.0032051 k( 15) = ( 0.1627907 0.0000000 0.0000000), wk = 0.0032051 k( 16) = ( 0.1744186 0.0000000 0.0000000), wk = 0.0032051 k( 17) = ( 0.1860465 0.0000000 0.0000000), wk = 0.0032051 k( 18) = ( 0.1976744 0.0000000 0.0000000), wk = 0.0032051 k( 19) = ( 0.2093023 -0.0000000 0.0000000), wk = 0.0032051 k( 20) = ( 0.2209302 0.0000000 0.0000000), wk = 0.0032051 k( 21) = ( 0.2325581 0.0000000 0.0000000), wk = 0.0032051 k( 22) = ( 0.2441860 0.0000000 0.0000000), wk = 0.0032051 k( 23) = ( 0.2558140 0.0000000 0.0000000), wk = 0.0032051 k( 24) = ( 0.2674419 0.0000000 0.0000000), wk = 0.0032051 k( 25) = ( 0.2790698 -0.0000000 0.0000000), wk = 0.0032051 k( 26) = ( 0.2906977 -0.0000000 0.0000000), wk = 0.0032051 k( 27) = ( 0.3023256 0.0000000 0.0000000), wk = 0.0032051 k( 28) = ( 0.3139535 0.0000000 0.0000000), wk = 0.0032051 k( 29) = ( 0.3255814 0.0000000 0.0000000), wk = 0.0032051 k( 30) = ( 0.3372093 0.0000000 0.0000000), wk = 0.0032051 k( 31) = ( 0.3488372 0.0000000 0.0000000), wk = 0.0032051 k( 32) = ( 0.3604651 0.0000000 0.0000000), wk = 0.0032051 k( 33) = ( 0.3720930 0.0000000 0.0000000), wk = 0.0032051 k( 34) = ( 0.3837209 0.0000000 0.0000000), wk = 0.0032051 k( 35) = ( 0.3953488 0.0000000 0.0000000), wk = 0.0032051 k( 36) = ( 0.4069767 0.0000000 0.0000000), wk = 0.0032051 k( 37) = ( 0.4186047 0.0000000 0.0000000), wk = 0.0032051 k( 38) = ( 0.4302326 -0.0000000 0.0000000), wk = 0.0032051 k( 39) = ( 0.4418605 0.0000000 0.0000000), wk = 0.0032051 k( 40) = ( 0.4534884 0.0000000 0.0000000), wk = 0.0032051 k( 41) = ( 0.4651163 0.0000000 0.0000000), wk = 0.0032051 k( 42) = ( 0.4767442 -0.0000000 0.0000000), wk = 0.0032051 k( 43) = ( 0.4883721 0.0000000 0.0000000), wk = 0.0032051 k( 44) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0032051 k( 45) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0032051 k( 46) = ( 0.4933333 0.0133333 0.0000000), wk = 0.0032051 k( 47) = ( 0.4866667 0.0266667 0.0000000), wk = 0.0032051 k( 48) = ( 0.4800000 0.0400000 0.0000000), wk = 0.0032051 k( 49) = ( 0.4733333 0.0533333 0.0000000), wk = 0.0032051 k( 50) = ( 0.4666667 0.0666667 0.0000000), wk = 0.0032051 k( 51) = ( 0.4600000 0.0800000 0.0000000), wk = 0.0032051 k( 52) = ( 0.4533333 0.0933333 0.0000000), wk = 0.0032051 k( 53) = ( 0.4466667 0.1066667 0.0000000), wk = 0.0032051 k( 54) = ( 0.4400000 0.1200000 0.0000000), wk = 0.0032051 k( 55) = ( 0.4333333 0.1333333 0.0000000), wk = 0.0032051 k( 56) = ( 0.4266667 0.1466667 0.0000000), wk = 0.0032051 k( 57) = ( 0.4200000 0.1600000 0.0000000), wk = 0.0032051 k( 58) = ( 0.4133333 0.1733333 0.0000000), wk = 0.0032051 k( 59) = ( 0.4066667 0.1866667 0.0000000), wk = 0.0032051 k( 60) = ( 0.4000000 0.2000000 -0.0000000), wk = 0.0032051 k( 61) = ( 0.3933333 0.2133333 0.0000000), wk = 0.0032051 k( 62) = ( 0.3866667 0.2266667 0.0000000), wk = 0.0032051 k( 63) = ( 0.3800000 0.2400000 0.0000000), wk = 0.0032051 k( 64) = ( 0.3733333 0.2533333 0.0000000), wk = 0.0032051 k( 65) = ( 0.3666667 0.2666667 0.0000000), wk = 0.0032051 k( 66) = ( 0.3600000 0.2800000 0.0000000), wk = 0.0032051 k( 67) = ( 0.3533333 0.2933333 0.0000000), wk = 0.0032051 k( 68) = ( 0.3466667 0.3066667 0.0000000), wk = 0.0032051 k( 69) = ( 0.3400000 0.3200000 -0.0000000), wk = 0.0032051 k( 70) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0032051 k( 71) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0032051 k( 72) = ( 0.3265306 0.3265306 0.0000000), wk = 0.0032051 k( 73) = ( 0.3197279 0.3197279 0.0000000), wk = 0.0032051 k( 74) = ( 0.3129252 0.3129252 0.0000000), wk = 0.0032051 k( 75) = ( 0.3061224 0.3061225 0.0000000), wk = 0.0032051 k( 76) = ( 0.2993197 0.2993197 0.0000000), wk = 0.0032051 k( 77) = ( 0.2925170 0.2925170 0.0000000), wk = 0.0032051 k( 78) = ( 0.2857143 0.2857143 0.0000000), wk = 0.0032051 k( 79) = ( 0.2789116 0.2789116 0.0000000), wk = 0.0032051 k( 80) = ( 0.2721088 0.2721088 0.0000000), wk = 0.0032051 k( 81) = ( 0.2653061 0.2653061 0.0000000), wk = 0.0032051 k( 82) = ( 0.2585034 0.2585034 0.0000000), wk = 0.0032051 k( 83) = ( 0.2517007 0.2517007 0.0000000), wk = 0.0032051 k( 84) = ( 0.2448980 0.2448980 0.0000000), wk = 0.0032051 k( 85) = ( 0.2380952 0.2380952 0.0000000), wk = 0.0032051 k( 86) = ( 0.2312925 0.2312925 0.0000000), wk = 0.0032051 k( 87) = ( 0.2244898 0.2244898 0.0000000), wk = 0.0032051 k( 88) = ( 0.2176871 0.2176871 0.0000000), wk = 0.0032051 k( 89) = ( 0.2108843 0.2108843 0.0000000), wk = 0.0032051 k( 90) = ( 0.2040816 0.2040816 0.0000000), wk = 0.0032051 k( 91) = ( 0.1972789 0.1972789 0.0000000), wk = 0.0032051 k( 92) = ( 0.1904762 0.1904762 0.0000000), wk = 0.0032051 k( 93) = ( 0.1836735 0.1836735 0.0000000), wk = 0.0032051 k( 94) = ( 0.1768707 0.1768707 0.0000000), wk = 0.0032051 k( 95) = ( 0.1700680 0.1700680 0.0000000), wk = 0.0032051 k( 96) = ( 0.1632653 0.1632653 0.0000000), wk = 0.0032051 k( 97) = ( 0.1564626 0.1564626 0.0000000), wk = 0.0032051 k( 98) = ( 0.1496599 0.1496599 -0.0000000), wk = 0.0032051 k( 99) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0032051 k( 100) = ( 0.1360544 0.1360544 0.0000000), wk = 0.0032051 k( 101) = ( 0.1292517 0.1292517 0.0000000), wk = 0.0032051 k( 102) = ( 0.1224490 0.1224490 0.0000000), wk = 0.0032051 k( 103) = ( 0.1156463 0.1156463 0.0000000), wk = 0.0032051 k( 104) = ( 0.1088435 0.1088435 0.0000000), wk = 0.0032051 k( 105) = ( 0.1020408 0.1020408 0.0000000), wk = 0.0032051 k( 106) = ( 0.0952381 0.0952381 0.0000000), wk = 0.0032051 k( 107) = ( 0.0884354 0.0884354 0.0000000), wk = 0.0032051 k( 108) = ( 0.0816327 0.0816327 0.0000000), wk = 0.0032051 k( 109) = ( 0.0748299 0.0748299 -0.0000000), wk = 0.0032051 k( 110) = ( 0.0680272 0.0680272 0.0000000), wk = 0.0032051 k( 111) = ( 0.0612245 0.0612245 0.0000000), wk = 0.0032051 k( 112) = ( 0.0544218 0.0544218 0.0000000), wk = 0.0032051 k( 113) = ( 0.0476191 0.0476190 0.0000000), wk = 0.0032051 k( 114) = ( 0.0408163 0.0408163 0.0000000), wk = 0.0032051 k( 115) = ( 0.0340136 0.0340136 0.0000000), wk = 0.0032051 k( 116) = ( 0.0272109 0.0272109 0.0000000), wk = 0.0032051 k( 117) = ( 0.0204082 0.0204082 0.0000000), wk = 0.0032051 k( 118) = ( 0.0136054 0.0136054 0.0000000), wk = 0.0032051 k( 119) = ( 0.0068027 0.0068027 0.0000000), wk = 0.0032051 k( 120) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032051 k( 121) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032051 k( 122) = ( 0.0000000 0.0000000 0.0217391), wk = 0.0032051 k( 123) = ( 0.0000000 0.0000000 0.0434783), wk = 0.0032051 k( 124) = ( 0.0000000 0.0000000 0.0652174), wk = 0.0032051 k( 125) = ( 0.0000000 0.0000000 0.0869565), wk = 0.0032051 k( 126) = ( 0.0000000 0.0000000 0.1086957), wk = 0.0032051 k( 127) = ( 0.0000000 0.0000000 0.1304348), wk = 0.0032051 k( 128) = ( 0.0000000 0.0000000 0.1521739), wk = 0.0032051 k( 129) = ( 0.0000000 0.0000000 0.1739130), wk = 0.0032051 k( 130) = ( 0.0000000 0.0000000 0.1956522), wk = 0.0032051 k( 131) = ( 0.0000000 0.0000000 0.2173913), wk = 0.0032051 k( 132) = ( 0.0000000 0.0000000 0.2391304), wk = 0.0032051 k( 133) = ( 0.0000000 0.0000000 0.2608696), wk = 0.0032051 k( 134) = ( 0.0000000 0.0000000 0.2826087), wk = 0.0032051 k( 135) = ( 0.0000000 0.0000000 0.3043478), wk = 0.0032051 k( 136) = ( 0.0000000 0.0000000 0.3260870), wk = 0.0032051 k( 137) = ( 0.0000000 0.0000000 0.3478261), wk = 0.0032051 k( 138) = ( 0.0000000 0.0000000 0.3695652), wk = 0.0032051 k( 139) = ( 0.0000000 0.0000000 0.3913044), wk = 0.0032051 k( 140) = ( 0.0000000 0.0000000 0.4130435), wk = 0.0032051 k( 141) = ( 0.0000000 0.0000000 0.4347826), wk = 0.0032051 k( 142) = ( 0.0000000 0.0000000 0.4565217), wk = 0.0032051 k( 143) = ( 0.0000000 0.0000000 0.4782609), wk = 0.0032051 k( 144) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032051 k( 145) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032051 k( 146) = ( 0.0116279 0.0000000 0.5000000), wk = 0.0032051 k( 147) = ( 0.0232558 0.0000000 0.5000000), wk = 0.0032051 k( 148) = ( 0.0348837 0.0000000 0.5000000), wk = 0.0032051 k( 149) = ( 0.0465116 0.0000000 0.5000000), wk = 0.0032051 k( 150) = ( 0.0581395 0.0000000 0.5000000), wk = 0.0032051 k( 151) = ( 0.0697674 0.0000000 0.5000000), wk = 0.0032051 k( 152) = ( 0.0813954 0.0000000 0.5000000), wk = 0.0032051 k( 153) = ( 0.0930233 0.0000000 0.5000000), wk = 0.0032051 k( 154) = ( 0.1046512 -0.0000000 0.5000000), wk = 0.0032051 k( 155) = ( 0.1162791 0.0000000 0.5000000), wk = 0.0032051 k( 156) = ( 0.1279070 0.0000000 0.5000000), wk = 0.0032051 k( 157) = ( 0.1395349 0.0000000 0.5000000), wk = 0.0032051 k( 158) = ( 0.1511628 0.0000000 0.5000000), wk = 0.0032051 k( 159) = ( 0.1627907 0.0000000 0.5000000), wk = 0.0032051 k( 160) = ( 0.1744186 0.0000000 0.5000000), wk = 0.0032051 k( 161) = ( 0.1860465 0.0000000 0.5000000), wk = 0.0032051 k( 162) = ( 0.1976744 0.0000000 0.5000000), wk = 0.0032051 k( 163) = ( 0.2093023 -0.0000000 0.5000000), wk = 0.0032051 k( 164) = ( 0.2209302 0.0000000 0.5000000), wk = 0.0032051 k( 165) = ( 0.2325581 0.0000000 0.5000000), wk = 0.0032051 k( 166) = ( 0.2441860 0.0000000 0.5000000), wk = 0.0032051 k( 167) = ( 0.2558140 0.0000000 0.5000000), wk = 0.0032051 k( 168) = ( 0.2674419 0.0000000 0.5000000), wk = 0.0032051 k( 169) = ( 0.2790698 -0.0000000 0.5000000), wk = 0.0032051 k( 170) = ( 0.2906977 -0.0000000 0.5000000), wk = 0.0032051 k( 171) = ( 0.3023256 0.0000000 0.5000000), wk = 0.0032051 k( 172) = ( 0.3139535 0.0000000 0.5000000), wk = 0.0032051 k( 173) = ( 0.3255814 0.0000000 0.5000000), wk = 0.0032051 k( 174) = ( 0.3372093 0.0000000 0.5000000), wk = 0.0032051 k( 175) = ( 0.3488372 0.0000000 0.5000000), wk = 0.0032051 k( 176) = ( 0.3604651 0.0000000 0.5000000), wk = 0.0032051 k( 177) = ( 0.3720930 0.0000000 0.5000000), wk = 0.0032051 k( 178) = ( 0.3837209 0.0000000 0.5000000), wk = 0.0032051 k( 179) = ( 0.3953488 0.0000000 0.5000000), wk = 0.0032051 k( 180) = ( 0.4069767 0.0000000 0.5000000), wk = 0.0032051 k( 181) = ( 0.4186047 0.0000000 0.5000000), wk = 0.0032051 k( 182) = ( 0.4302326 -0.0000000 0.5000000), wk = 0.0032051 k( 183) = ( 0.4418605 0.0000000 0.5000000), wk = 0.0032051 k( 184) = ( 0.4534884 0.0000000 0.5000000), wk = 0.0032051 k( 185) = ( 0.4651163 0.0000000 0.5000000), wk = 0.0032051 k( 186) = ( 0.4767442 -0.0000000 0.5000000), wk = 0.0032051 k( 187) = ( 0.4883721 0.0000000 0.5000000), wk = 0.0032051 k( 188) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0032051 k( 189) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0032051 k( 190) = ( 0.4933333 0.0133333 0.5000000), wk = 0.0032051 k( 191) = ( 0.4866667 0.0266667 0.5000000), wk = 0.0032051 k( 192) = ( 0.4800000 0.0400000 0.5000000), wk = 0.0032051 k( 193) = ( 0.4733333 0.0533333 0.5000000), wk = 0.0032051 k( 194) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0032051 k( 195) = ( 0.4600000 0.0800000 0.5000000), wk = 0.0032051 k( 196) = ( 0.4533333 0.0933333 0.5000000), wk = 0.0032051 k( 197) = ( 0.4466667 0.1066667 0.5000000), wk = 0.0032051 k( 198) = ( 0.4400000 0.1200000 0.5000000), wk = 0.0032051 k( 199) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0032051 k( 200) = ( 0.4266667 0.1466667 0.5000000), wk = 0.0032051 k( 201) = ( 0.4200000 0.1600000 0.5000000), wk = 0.0032051 k( 202) = ( 0.4133333 0.1733333 0.5000000), wk = 0.0032051 k( 203) = ( 0.4066667 0.1866667 0.5000000), wk = 0.0032051 k( 204) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0032051 k( 205) = ( 0.3933333 0.2133333 0.5000000), wk = 0.0032051 k( 206) = ( 0.3866667 0.2266667 0.5000000), wk = 0.0032051 k( 207) = ( 0.3800000 0.2400000 0.5000000), wk = 0.0032051 k( 208) = ( 0.3733333 0.2533333 0.5000000), wk = 0.0032051 k( 209) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0032051 k( 210) = ( 0.3600000 0.2800000 0.5000000), wk = 0.0032051 k( 211) = ( 0.3533333 0.2933333 0.5000000), wk = 0.0032051 k( 212) = ( 0.3466667 0.3066667 0.5000000), wk = 0.0032051 k( 213) = ( 0.3400000 0.3200000 0.5000000), wk = 0.0032051 k( 214) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0032051 k( 215) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0032051 k( 216) = ( 0.3265306 0.3265306 0.5000000), wk = 0.0032051 k( 217) = ( 0.3197279 0.3197279 0.5000000), wk = 0.0032051 k( 218) = ( 0.3129252 0.3129252 0.5000000), wk = 0.0032051 k( 219) = ( 0.3061224 0.3061225 0.5000000), wk = 0.0032051 k( 220) = ( 0.2993197 0.2993197 0.5000000), wk = 0.0032051 k( 221) = ( 0.2925170 0.2925170 0.5000000), wk = 0.0032051 k( 222) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0032051 k( 223) = ( 0.2789116 0.2789116 0.5000000), wk = 0.0032051 k( 224) = ( 0.2721088 0.2721088 0.5000000), wk = 0.0032051 k( 225) = ( 0.2653061 0.2653061 0.5000000), wk = 0.0032051 k( 226) = ( 0.2585034 0.2585034 0.5000000), wk = 0.0032051 k( 227) = ( 0.2517007 0.2517007 0.5000000), wk = 0.0032051 k( 228) = ( 0.2448980 0.2448980 0.5000000), wk = 0.0032051 k( 229) = ( 0.2380952 0.2380952 0.5000000), wk = 0.0032051 k( 230) = ( 0.2312925 0.2312925 0.5000000), wk = 0.0032051 k( 231) = ( 0.2244898 0.2244898 0.5000000), wk = 0.0032051 k( 232) = ( 0.2176871 0.2176871 0.5000000), wk = 0.0032051 k( 233) = ( 0.2108843 0.2108843 0.5000000), wk = 0.0032051 k( 234) = ( 0.2040816 0.2040816 0.5000000), wk = 0.0032051 k( 235) = ( 0.1972789 0.1972789 0.5000000), wk = 0.0032051 k( 236) = ( 0.1904762 0.1904762 0.5000000), wk = 0.0032051 k( 237) = ( 0.1836735 0.1836735 0.5000000), wk = 0.0032051 k( 238) = ( 0.1768707 0.1768707 0.5000000), wk = 0.0032051 k( 239) = ( 0.1700680 0.1700680 0.5000000), wk = 0.0032051 k( 240) = ( 0.1632653 0.1632653 0.5000000), wk = 0.0032051 k( 241) = ( 0.1564626 0.1564626 0.5000000), wk = 0.0032051 k( 242) = ( 0.1496599 0.1496599 0.5000000), wk = 0.0032051 k( 243) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0032051 k( 244) = ( 0.1360544 0.1360544 0.5000000), wk = 0.0032051 k( 245) = ( 0.1292517 0.1292517 0.5000000), wk = 0.0032051 k( 246) = ( 0.1224490 0.1224490 0.5000000), wk = 0.0032051 k( 247) = ( 0.1156463 0.1156463 0.5000000), wk = 0.0032051 k( 248) = ( 0.1088435 0.1088435 0.5000000), wk = 0.0032051 k( 249) = ( 0.1020408 0.1020408 0.5000000), wk = 0.0032051 k( 250) = ( 0.0952381 0.0952381 0.5000000), wk = 0.0032051 k( 251) = ( 0.0884354 0.0884354 0.5000000), wk = 0.0032051 k( 252) = ( 0.0816327 0.0816327 0.5000000), wk = 0.0032051 k( 253) = ( 0.0748299 0.0748299 0.5000000), wk = 0.0032051 k( 254) = ( 0.0680272 0.0680272 0.5000000), wk = 0.0032051 k( 255) = ( 0.0612245 0.0612245 0.5000000), wk = 0.0032051 k( 256) = ( 0.0544218 0.0544218 0.5000000), wk = 0.0032051 k( 257) = ( 0.0476191 0.0476190 0.5000000), wk = 0.0032051 k( 258) = ( 0.0408163 0.0408163 0.5000000), wk = 0.0032051 k( 259) = ( 0.0340136 0.0340136 0.5000000), wk = 0.0032051 k( 260) = ( 0.0272109 0.0272109 0.5000000), wk = 0.0032051 k( 261) = ( 0.0204082 0.0204082 0.5000000), wk = 0.0032051 k( 262) = ( 0.0136054 0.0136054 0.5000000), wk = 0.0032051 k( 263) = ( 0.0068027 0.0068027 0.5000000), wk = 0.0032051 k( 264) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032051 k( 265) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0032051 k( 266) = ( 0.5000000 0.0000000 0.4782609), wk = 0.0032051 k( 267) = ( 0.5000000 0.0000000 0.4565217), wk = 0.0032051 k( 268) = ( 0.5000000 0.0000000 0.4347826), wk = 0.0032051 k( 269) = ( 0.5000000 0.0000000 0.4130435), wk = 0.0032051 k( 270) = ( 0.5000000 0.0000000 0.3913044), wk = 0.0032051 k( 271) = ( 0.5000000 0.0000000 0.3695652), wk = 0.0032051 k( 272) = ( 0.5000000 0.0000000 0.3478261), wk = 0.0032051 k( 273) = ( 0.5000000 0.0000000 0.3260870), wk = 0.0032051 k( 274) = ( 0.5000000 0.0000000 0.3043478), wk = 0.0032051 k( 275) = ( 0.5000000 0.0000000 0.2826087), wk = 0.0032051 k( 276) = ( 0.5000000 0.0000000 0.2608696), wk = 0.0032051 k( 277) = ( 0.5000000 0.0000000 0.2391304), wk = 0.0032051 k( 278) = ( 0.5000000 0.0000000 0.2173913), wk = 0.0032051 k( 279) = ( 0.5000000 0.0000000 0.1956522), wk = 0.0032051 k( 280) = ( 0.5000000 0.0000000 0.1739130), wk = 0.0032051 k( 281) = ( 0.5000000 0.0000000 0.1521739), wk = 0.0032051 k( 282) = ( 0.5000000 0.0000000 0.1304348), wk = 0.0032051 k( 283) = ( 0.5000000 0.0000000 0.1086957), wk = 0.0032051 k( 284) = ( 0.5000000 0.0000000 0.0869565), wk = 0.0032051 k( 285) = ( 0.5000000 0.0000000 0.0652174), wk = 0.0032051 k( 286) = ( 0.5000000 0.0000000 0.0434783), wk = 0.0032051 k( 287) = ( 0.5000000 0.0000000 0.0217391), wk = 0.0032051 k( 288) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0032051 k( 289) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0032051 k( 290) = ( 0.3333333 0.3333333 0.0217391), wk = 0.0032051 k( 291) = ( 0.3333333 0.3333333 0.0434783), wk = 0.0032051 k( 292) = ( 0.3333333 0.3333333 0.0652174), wk = 0.0032051 k( 293) = ( 0.3333333 0.3333333 0.0869565), wk = 0.0032051 k( 294) = ( 0.3333333 0.3333333 0.1086957), wk = 0.0032051 k( 295) = ( 0.3333333 0.3333333 0.1304348), wk = 0.0032051 k( 296) = ( 0.3333333 0.3333333 0.1521739), wk = 0.0032051 k( 297) = ( 0.3333333 0.3333333 0.1739130), wk = 0.0032051 k( 298) = ( 0.3333333 0.3333333 0.1956522), wk = 0.0032051 k( 299) = ( 0.3333333 0.3333333 0.2173913), wk = 0.0032051 k( 300) = ( 0.3333333 0.3333333 0.2391304), wk = 0.0032051 k( 301) = ( 0.3333333 0.3333333 0.2608696), wk = 0.0032051 k( 302) = ( 0.3333333 0.3333333 0.2826087), wk = 0.0032051 k( 303) = ( 0.3333333 0.3333333 0.3043478), wk = 0.0032051 k( 304) = ( 0.3333333 0.3333333 0.3260870), wk = 0.0032051 k( 305) = ( 0.3333333 0.3333333 0.3478261), wk = 0.0032051 k( 306) = ( 0.3333333 0.3333333 0.3695652), wk = 0.0032051 k( 307) = ( 0.3333333 0.3333333 0.3913044), wk = 0.0032051 k( 308) = ( 0.3333333 0.3333333 0.4130435), wk = 0.0032051 k( 309) = ( 0.3333333 0.3333333 0.4347826), wk = 0.0032051 k( 310) = ( 0.3333333 0.3333333 0.4565217), wk = 0.0032051 k( 311) = ( 0.3333333 0.3333333 0.4782609), wk = 0.0032051 k( 312) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0032051 Dense grid: 48599 G-vectors FFT dimensions: ( 45, 45, 72) Smooth grid: 16089 G-vectors FFT dimensions: ( 27, 27, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.03 Mb ( 84, 24) NL pseudopotentials 0.06 Mb ( 42, 96) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1015) G-vector shells 0.00 Mb ( 498) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.12 Mb ( 84, 96) Each subspace H/S matrix 0.14 Mb ( 96, 96) Each matrix 0.07 Mb ( 96, 2, 24) The potential is recalculated from file : ./AlSb.save/charge-density.dat Starting wfc are 32 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 40.7 secs Computing kpt #: 2 total cpu time spent up to now is 41.1 secs Computing kpt #: 3 total cpu time spent up to now is 41.5 secs Computing kpt #: 4 total cpu time spent up to now is 41.9 secs Computing kpt #: 5 total cpu time spent up to now is 42.3 secs Computing kpt #: 6 total cpu time spent up to now is 42.7 secs Computing kpt #: 7 total cpu time spent up to now is 43.1 secs Computing kpt #: 8 total cpu time spent up to now is 43.4 secs Computing kpt #: 9 total cpu time spent up to now is 43.8 secs Computing kpt #: 10 total cpu time spent up to now is 44.2 secs Computing kpt #: 11 total cpu time spent up to now is 44.6 secs Computing kpt #: 12 total cpu time spent up to now is 45.0 secs Computing kpt #: 13 total cpu time spent up to now is 45.4 secs Computing kpt #: 14 total cpu time spent up to now is 45.8 secs Computing kpt #: 15 total cpu time spent up to now is 46.3 secs Computing kpt #: 16 total cpu time spent up to now is 46.8 secs Computing kpt #: 17 total cpu time spent up to now is 47.4 secs Computing kpt #: 18 total cpu time spent up to now is 48.1 secs Computing kpt #: 19 total cpu time spent up to now is 48.6 secs Computing kpt #: 20 total cpu time spent up to now is 49.1 secs Computing kpt #: 21 total cpu time spent up to now is 49.6 secs Computing kpt #: 22 total cpu time spent up to now is 50.0 secs Computing kpt #: 23 total cpu time spent up to now is 50.5 secs Computing kpt #: 24 total cpu time spent up to now is 50.9 secs Computing kpt #: 25 total cpu time spent up to now is 51.5 secs Computing kpt #: 26 total cpu time spent up to now is 52.1 secs Computing kpt #: 27 total cpu time spent up to now is 52.9 secs Computing kpt #: 28 total cpu time spent up to now is 53.4 secs Computing kpt #: 29 total cpu time spent up to now is 53.9 secs Computing kpt #: 30 total cpu time spent up to now is 54.3 secs Computing kpt #: 31 total cpu time spent up to now is 54.8 secs Computing kpt #: 32 total cpu time spent up to now is 55.4 secs Computing kpt #: 33 total cpu time spent up to now is 55.9 secs Computing kpt #: 34 total cpu time spent up to now is 56.4 secs Computing kpt #: 35 total cpu time spent up to now is 56.8 secs Computing kpt #: 36 total cpu time spent up to now is 57.3 secs Computing kpt #: 37 total cpu time spent up to now is 57.7 secs Computing kpt #: 38 total cpu time spent up to now is 58.2 secs Computing kpt #: 39 total cpu time spent up to now is 58.6 secs Computing kpt #: 40 total cpu time spent up to now is 59.0 secs Computing kpt #: 41 total cpu time spent up to now is 59.4 secs Computing kpt #: 42 total cpu time spent up to now is 59.8 secs Computing kpt #: 43 total cpu time spent up to now is 60.3 secs Computing kpt #: 44 total cpu time spent up to now is 60.7 secs Computing kpt #: 45 total cpu time spent up to now is 61.1 secs Computing kpt #: 46 total cpu time spent up to now is 61.6 secs Computing kpt #: 47 total cpu time spent up to now is 62.1 secs Computing kpt #: 48 total cpu time spent up to now is 62.7 secs Computing kpt #: 49 total cpu time spent up to now is 63.1 secs Computing kpt #: 50 total cpu time spent up to now is 63.6 secs Computing kpt #: 51 total cpu time spent up to now is 64.1 secs Computing kpt #: 52 total cpu time spent up to now is 64.6 secs Computing kpt #: 53 total cpu time spent up to now is 65.1 secs Computing kpt #: 54 total cpu time spent up to now is 65.6 secs Computing kpt #: 55 total cpu time spent up to now is 66.0 secs Computing kpt #: 56 total cpu time spent up to now is 66.4 secs Computing kpt #: 57 total cpu time spent up to now is 66.9 secs Computing kpt #: 58 total cpu time spent up to now is 67.3 secs Computing kpt #: 59 total cpu time spent up to now is 67.8 secs Computing kpt #: 60 total cpu time spent up to now is 68.3 secs Computing kpt #: 61 total cpu time spent up to now is 68.8 secs Computing kpt #: 62 total cpu time spent up to now is 69.4 secs Computing kpt #: 63 total cpu time spent up to now is 70.0 secs Computing kpt #: 64 total cpu time spent up to now is 70.7 secs Computing kpt #: 65 total cpu time spent up to now is 71.4 secs Computing kpt #: 66 total cpu time spent up to now is 72.1 secs Computing kpt #: 67 total cpu time spent up to now is 72.7 secs Computing kpt #: 68 total cpu time spent up to now is 73.4 secs Computing kpt #: 69 total cpu time spent up to now is 74.1 secs Computing kpt #: 70 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 75.1 secs Computing kpt #: 71 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 76.1 secs Computing kpt #: 72 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 77.2 secs Computing kpt #: 73 total cpu time spent up to now is 77.8 secs Computing kpt #: 74 total cpu time spent up to now is 78.4 secs Computing kpt #: 75 total cpu time spent up to now is 78.9 secs Computing kpt #: 76 total cpu time spent up to now is 79.3 secs Computing kpt #: 77 total cpu time spent up to now is 79.8 secs Computing kpt #: 78 total cpu time spent up to now is 80.3 secs Computing kpt #: 79 total cpu time spent up to now is 80.7 secs Computing kpt #: 80 total cpu time spent up to now is 81.4 secs Computing kpt #: 81 total cpu time spent up to now is 82.1 secs Computing kpt #: 82 total cpu time spent up to now is 82.5 secs Computing kpt #: 83 total cpu time spent up to now is 83.2 secs Computing kpt #: 84 total cpu time spent up to now is 83.7 secs Computing kpt #: 85 total cpu time spent up to now is 84.1 secs Computing kpt #: 86 total cpu time spent up to now is 84.8 secs Computing kpt #: 87 total cpu time spent up to now is 85.3 secs Computing kpt #: 88 total cpu time spent up to now is 85.7 secs Computing kpt #: 89 total cpu time spent up to now is 86.2 secs Computing kpt #: 90 total cpu time spent up to now is 86.6 secs Computing kpt #: 91 total cpu time spent up to now is 87.0 secs Computing kpt #: 92 total cpu time spent up to now is 87.4 secs Computing kpt #: 93 total cpu time spent up to now is 87.9 secs Computing kpt #: 94 total cpu time spent up to now is 88.4 secs Computing kpt #: 95 total cpu time spent up to now is 88.9 secs Computing kpt #: 96 total cpu time spent up to now is 89.4 secs Computing kpt #: 97 total cpu time spent up to now is 89.9 secs Computing kpt #: 98 total cpu time spent up to now is 90.4 secs Computing kpt #: 99 total cpu time spent up to now is 90.9 secs Computing kpt #: 100 total cpu time spent up to now is 91.4 secs Computing kpt #: 101 total cpu time spent up to now is 91.9 secs Computing kpt #: 102 total cpu time spent up to now is 92.5 secs Computing kpt #: 103 total cpu time spent up to now is 93.1 secs Computing kpt #: 104 total cpu time spent up to now is 93.7 secs Computing kpt #: 105 total cpu time spent up to now is 94.2 secs Computing kpt #: 106 total cpu time spent up to now is 94.8 secs Computing kpt #: 107 total cpu time spent up to now is 95.2 secs Computing kpt #: 108 total cpu time spent up to now is 95.7 secs Computing kpt #: 109 total cpu time spent up to now is 96.2 secs Computing kpt #: 110 total cpu time spent up to now is 96.7 secs Computing kpt #: 111 total cpu time spent up to now is 97.1 secs Computing kpt #: 112 total cpu time spent up to now is 97.8 secs Computing kpt #: 113 total cpu time spent up to now is 98.3 secs Computing kpt #: 114 total cpu time spent up to now is 99.0 secs Computing kpt #: 115 total cpu time spent up to now is 99.5 secs Computing kpt #: 116 total cpu time spent up to now is 100.0 secs Computing kpt #: 117 total cpu time spent up to now is 100.7 secs Computing kpt #: 118 total cpu time spent up to now is 101.1 secs Computing kpt #: 119 total cpu time spent up to now is 101.7 secs Computing kpt #: 120 total cpu time spent up to now is 102.2 secs Computing kpt #: 121 total cpu time spent up to now is 102.5 secs Computing kpt #: 122 total cpu time spent up to now is 103.2 secs Computing kpt #: 123 total cpu time spent up to now is 103.5 secs Computing kpt #: 124 total cpu time spent up to now is 103.9 secs Computing kpt #: 125 total cpu time spent up to now is 104.3 secs Computing kpt #: 126 total cpu time spent up to now is 104.7 secs Computing kpt #: 127 total cpu time spent up to now is 105.1 secs Computing kpt #: 128 total cpu time spent up to now is 105.6 secs Computing kpt #: 129 total cpu time spent up to now is 106.1 secs Computing kpt #: 130 total cpu time spent up to now is 106.6 secs Computing kpt #: 131 total cpu time spent up to now is 107.1 secs Computing kpt #: 132 total cpu time spent up to now is 107.7 secs Computing kpt #: 133 total cpu time spent up to now is 108.1 secs Computing kpt #: 134 total cpu time spent up to now is 108.5 secs Computing kpt #: 135 total cpu time spent up to now is 108.9 secs Computing kpt #: 136 total cpu time spent up to now is 109.3 secs Computing kpt #: 137 total cpu time spent up to now is 110.0 secs Computing kpt #: 138 total cpu time spent up to now is 110.5 secs Computing kpt #: 139 total cpu time spent up to now is 110.9 secs Computing kpt #: 140 total cpu time spent up to now is 111.3 secs Computing kpt #: 141 total cpu time spent up to now is 111.8 secs Computing kpt #: 142 total cpu time spent up to now is 112.3 secs Computing kpt #: 143 total cpu time spent up to now is 113.0 secs Computing kpt #: 144 total cpu time spent up to now is 113.7 secs Computing kpt #: 145 total cpu time spent up to now is 114.2 secs Computing kpt #: 146 total cpu time spent up to now is 114.7 secs Computing kpt #: 147 total cpu time spent up to now is 115.2 secs Computing kpt #: 148 total cpu time spent up to now is 115.7 secs Computing kpt #: 149 total cpu time spent up to now is 116.2 secs Computing kpt #: 150 total cpu time spent up to now is 116.8 secs Computing kpt #: 151 total cpu time spent up to now is 117.4 secs Computing kpt #: 152 total cpu time spent up to now is 118.0 secs Computing kpt #: 153 total cpu time spent up to now is 118.9 secs Computing kpt #: 154 total cpu time spent up to now is 120.1 secs Computing kpt #: 155 total cpu time spent up to now is 120.6 secs Computing kpt #: 156 total cpu time spent up to now is 121.2 secs Computing kpt #: 157 total cpu time spent up to now is 121.9 secs Computing kpt #: 158 total cpu time spent up to now is 122.3 secs Computing kpt #: 159 total cpu time spent up to now is 122.8 secs Computing kpt #: 160 total cpu time spent up to now is 123.2 secs Computing kpt #: 161 total cpu time spent up to now is 123.6 secs Computing kpt #: 162 total cpu time spent up to now is 124.1 secs Computing kpt #: 163 total cpu time spent up to now is 124.5 secs Computing kpt #: 164 total cpu time spent up to now is 124.9 secs Computing kpt #: 165 total cpu time spent up to now is 125.3 secs Computing kpt #: 166 total cpu time spent up to now is 125.7 secs Computing kpt #: 167 total cpu time spent up to now is 126.1 secs Computing kpt #: 168 total cpu time spent up to now is 126.5 secs Computing kpt #: 169 total cpu time spent up to now is 126.9 secs Computing kpt #: 170 total cpu time spent up to now is 127.4 secs Computing kpt #: 171 total cpu time spent up to now is 127.7 secs Computing kpt #: 172 total cpu time spent up to now is 128.0 secs Computing kpt #: 173 total cpu time spent up to now is 128.4 secs Computing kpt #: 174 total cpu time spent up to now is 128.8 secs Computing kpt #: 175 total cpu time spent up to now is 129.1 secs Computing kpt #: 176 total cpu time spent up to now is 129.5 secs Computing kpt #: 177 total cpu time spent up to now is 129.9 secs Computing kpt #: 178 total cpu time spent up to now is 130.3 secs Computing kpt #: 179 total cpu time spent up to now is 130.6 secs Computing kpt #: 180 total cpu time spent up to now is 130.9 secs Computing kpt #: 181 total cpu time spent up to now is 131.2 secs Computing kpt #: 182 total cpu time spent up to now is 131.5 secs Computing kpt #: 183 total cpu time spent up to now is 131.8 secs Computing kpt #: 184 total cpu time spent up to now is 132.0 secs Computing kpt #: 185 total cpu time spent up to now is 132.3 secs Computing kpt #: 186 total cpu time spent up to now is 132.6 secs Computing kpt #: 187 total cpu time spent up to now is 132.9 secs Computing kpt #: 188 total cpu time spent up to now is 133.2 secs Computing kpt #: 189 total cpu time spent up to now is 133.5 secs Computing kpt #: 190 total cpu time spent up to now is 133.7 secs Computing kpt #: 191 total cpu time spent up to now is 134.1 secs Computing kpt #: 192 total cpu time spent up to now is 134.4 secs Computing kpt #: 193 total cpu time spent up to now is 134.8 secs Computing kpt #: 194 total cpu time spent up to now is 135.1 secs Computing kpt #: 195 total cpu time spent up to now is 135.4 secs Computing kpt #: 196 total cpu time spent up to now is 135.7 secs Computing kpt #: 197 total cpu time spent up to now is 136.1 secs Computing kpt #: 198 total cpu time spent up to now is 136.5 secs Computing kpt #: 199 total cpu time spent up to now is 136.8 secs Computing kpt #: 200 total cpu time spent up to now is 137.1 secs Computing kpt #: 201 total cpu time spent up to now is 137.5 secs Computing kpt #: 202 total cpu time spent up to now is 137.8 secs Computing kpt #: 203 total cpu time spent up to now is 138.2 secs Computing kpt #: 204 total cpu time spent up to now is 138.6 secs Computing kpt #: 205 total cpu time spent up to now is 139.1 secs Computing kpt #: 206 total cpu time spent up to now is 139.8 secs Computing kpt #: 207 total cpu time spent up to now is 140.3 secs Computing kpt #: 208 total cpu time spent up to now is 140.7 secs Computing kpt #: 209 total cpu time spent up to now is 141.2 secs Computing kpt #: 210 total cpu time spent up to now is 141.7 secs Computing kpt #: 211 total cpu time spent up to now is 142.1 secs Computing kpt #: 212 total cpu time spent up to now is 142.5 secs Computing kpt #: 213 total cpu time spent up to now is 142.9 secs Computing kpt #: 214 total cpu time spent up to now is 143.3 secs Computing kpt #: 215 total cpu time spent up to now is 143.8 secs Computing kpt #: 216 total cpu time spent up to now is 144.2 secs Computing kpt #: 217 total cpu time spent up to now is 144.7 secs Computing kpt #: 218 total cpu time spent up to now is 145.3 secs Computing kpt #: 219 total cpu time spent up to now is 145.8 secs Computing kpt #: 220 total cpu time spent up to now is 146.3 secs Computing kpt #: 221 total cpu time spent up to now is 146.8 secs Computing kpt #: 222 total cpu time spent up to now is 147.3 secs Computing kpt #: 223 total cpu time spent up to now is 147.7 secs Computing kpt #: 224 total cpu time spent up to now is 148.2 secs Computing kpt #: 225 total cpu time spent up to now is 148.6 secs Computing kpt #: 226 total cpu time spent up to now is 149.1 secs Computing kpt #: 227 total cpu time spent up to now is 149.6 secs Computing kpt #: 228 total cpu time spent up to now is 150.1 secs Computing kpt #: 229 total cpu time spent up to now is 150.7 secs Computing kpt #: 230 total cpu time spent up to now is 151.2 secs Computing kpt #: 231 total cpu time spent up to now is 151.6 secs Computing kpt #: 232 total cpu time spent up to now is 152.1 secs Computing kpt #: 233 total cpu time spent up to now is 152.5 secs Computing kpt #: 234 total cpu time spent up to now is 153.0 secs Computing kpt #: 235 total cpu time spent up to now is 153.4 secs Computing kpt #: 236 total cpu time spent up to now is 153.9 secs Computing kpt #: 237 total cpu time spent up to now is 154.3 secs Computing kpt #: 238 total cpu time spent up to now is 154.8 secs Computing kpt #: 239 total cpu time spent up to now is 155.2 secs Computing kpt #: 240 total cpu time spent up to now is 155.6 secs Computing kpt #: 241 total cpu time spent up to now is 156.0 secs Computing kpt #: 242 total cpu time spent up to now is 156.4 secs Computing kpt #: 243 total cpu time spent up to now is 156.8 secs Computing kpt #: 244 total cpu time spent up to now is 157.2 secs Computing kpt #: 245 total cpu time spent up to now is 157.5 secs Computing kpt #: 246 total cpu time spent up to now is 157.9 secs Computing kpt #: 247 total cpu time spent up to now is 158.3 secs Computing kpt #: 248 total cpu time spent up to now is 158.6 secs Computing kpt #: 249 total cpu time spent up to now is 159.0 secs Computing kpt #: 250 total cpu time spent up to now is 159.4 secs Computing kpt #: 251 total cpu time spent up to now is 159.8 secs Computing kpt #: 252 total cpu time spent up to now is 160.2 secs Computing kpt #: 253 total cpu time spent up to now is 160.6 secs Computing kpt #: 254 total cpu time spent up to now is 161.0 secs Computing kpt #: 255 total cpu time spent up to now is 161.4 secs Computing kpt #: 256 total cpu time spent up to now is 161.8 secs Computing kpt #: 257 total cpu time spent up to now is 162.3 secs Computing kpt #: 258 total cpu time spent up to now is 162.7 secs Computing kpt #: 259 total cpu time spent up to now is 163.2 secs Computing kpt #: 260 total cpu time spent up to now is 163.6 secs Computing kpt #: 261 total cpu time spent up to now is 164.3 secs Computing kpt #: 262 total cpu time spent up to now is 164.8 secs Computing kpt #: 263 total cpu time spent up to now is 165.4 secs Computing kpt #: 264 total cpu time spent up to now is 165.9 secs Computing kpt #: 265 total cpu time spent up to now is 166.2 secs Computing kpt #: 266 total cpu time spent up to now is 166.5 secs Computing kpt #: 267 total cpu time spent up to now is 166.8 secs Computing kpt #: 268 total cpu time spent up to now is 167.1 secs Computing kpt #: 269 total cpu time spent up to now is 167.3 secs Computing kpt #: 270 total cpu time spent up to now is 167.6 secs Computing kpt #: 271 total cpu time spent up to now is 167.9 secs Computing kpt #: 272 total cpu time spent up to now is 168.2 secs Computing kpt #: 273 total cpu time spent up to now is 168.5 secs Computing kpt #: 274 total cpu time spent up to now is 168.8 secs Computing kpt #: 275 total cpu time spent up to now is 169.1 secs Computing kpt #: 276 total cpu time spent up to now is 169.5 secs Computing kpt #: 277 total cpu time spent up to now is 169.9 secs Computing kpt #: 278 total cpu time spent up to now is 170.3 secs Computing kpt #: 279 total cpu time spent up to now is 170.8 secs Computing kpt #: 280 total cpu time spent up to now is 171.2 secs Computing kpt #: 281 total cpu time spent up to now is 171.7 secs Computing kpt #: 282 total cpu time spent up to now is 172.1 secs Computing kpt #: 283 total cpu time spent up to now is 172.5 secs Computing kpt #: 284 total cpu time spent up to now is 172.8 secs Computing kpt #: 285 total cpu time spent up to now is 173.3 secs Computing kpt #: 286 total cpu time spent up to now is 173.6 secs Computing kpt #: 287 total cpu time spent up to now is 174.0 secs Computing kpt #: 288 total cpu time spent up to now is 174.5 secs Computing kpt #: 289 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 175.5 secs Computing kpt #: 290 total cpu time spent up to now is 176.4 secs Computing kpt #: 291 total cpu time spent up to now is 177.2 secs Computing kpt #: 292 total cpu time spent up to now is 177.9 secs Computing kpt #: 293 total cpu time spent up to now is 178.6 secs Computing kpt #: 294 total cpu time spent up to now is 179.1 secs Computing kpt #: 295 total cpu time spent up to now is 179.6 secs Computing kpt #: 296 total cpu time spent up to now is 180.1 secs Computing kpt #: 297 total cpu time spent up to now is 180.6 secs Computing kpt #: 298 total cpu time spent up to now is 181.2 secs Computing kpt #: 299 total cpu time spent up to now is 181.7 secs Computing kpt #: 300 total cpu time spent up to now is 182.4 secs Computing kpt #: 301 total cpu time spent up to now is 183.2 secs Computing kpt #: 302 total cpu time spent up to now is 184.0 secs Computing kpt #: 303 total cpu time spent up to now is 184.8 secs Computing kpt #: 304 total cpu time spent up to now is 185.4 secs Computing kpt #: 305 total cpu time spent up to now is 186.0 secs Computing kpt #: 306 total cpu time spent up to now is 186.5 secs Computing kpt #: 307 total cpu time spent up to now is 187.0 secs Computing kpt #: 308 total cpu time spent up to now is 187.5 secs Computing kpt #: 309 total cpu time spent up to now is 187.9 secs Computing kpt #: 310 total cpu time spent up to now is 188.4 secs Computing kpt #: 311 total cpu time spent up to now is 188.9 secs Computing kpt #: 312 total cpu time spent up to now is 189.3 secs ethr = 6.25E-11, avg # of iterations = 32.9 total cpu time spent up to now is 189.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1985 PWs) bands (ev): -6.1430 -6.1430 -4.6805 -4.6805 -0.8374 -0.8374 3.4958 3.4958 3.8620 3.8620 4.2832 4.2832 4.9444 4.9444 5.0229 5.0229 5.8155 5.8155 6.6139 6.6139 7.6040 7.6040 7.6162 7.6162 k = 0.0116 0.0067-0.0000 ( 1985 PWs) bands (ev): -6.1418 -6.1418 -4.6796 -4.6795 -0.8383 -0.8349 3.4790 3.4973 3.8518 3.8522 4.2748 4.2843 4.9319 4.9461 5.0126 5.0139 5.8213 5.8365 6.6256 6.6261 7.6035 7.6053 7.6171 7.6176 k = 0.0233 0.0134-0.0000 ( 1985 PWs) bands (ev): -6.1384 -6.1384 -4.6769 -4.6767 -0.8377 -0.8308 3.4460 3.4834 3.8225 3.8254 4.2592 4.2772 4.9035 4.9357 4.9855 4.9936 5.8534 5.8825 6.6589 6.6612 7.6004 7.6048 7.6233 7.6251 k = 0.0349 0.0201-0.0000 ( 1983 PWs) bands (ev): -6.1327 -6.1327 -4.6723 -4.6720 -0.8356 -0.8252 3.3957 3.4529 3.7787 3.7868 4.2354 4.2598 4.8546 4.8994 4.9595 4.9722 5.9085 5.9497 6.7089 6.7152 7.5943 7.6004 7.6372 7.6400 k = 0.0465 0.0269-0.0000 ( 1989 PWs) bands (ev): -6.1247 -6.1247 -4.6659 -4.6656 -0.8319 -0.8179 3.3274 3.4037 3.7271 3.7420 4.2016 4.2296 4.7902 4.8360 4.9420 4.9523 5.9820 6.0328 6.7698 6.7825 7.5875 7.5946 7.6578 7.6614 k = 0.0581 0.0336-0.0000 ( 1988 PWs) bands (ev): -6.1145 -6.1145 -4.6578 -4.6573 -0.8268 -0.8092 3.2419 3.3346 3.6740 3.6947 4.1557 4.1833 4.7201 4.7608 4.9247 4.9319 6.0684 6.1262 6.8364 6.8576 7.5824 7.5896 7.6843 7.6886 k = 0.0698 0.0403-0.0000 ( 2000 PWs) bands (ev): -6.1020 -6.1020 -4.6478 -4.6473 -0.8204 -0.7989 3.1415 3.2466 3.6226 3.6467 4.0956 4.1184 4.6525 4.6829 4.9048 4.9096 6.1618 6.2237 6.9048 6.9356 7.5819 7.5881 7.7163 7.7214 k = 0.0814 0.0470-0.0000 ( 2004 PWs) bands (ev): -6.0873 -6.0873 -4.6361 -4.6356 -0.8127 -0.7873 3.0295 3.1434 3.5731 3.5979 4.0201 4.0343 4.5919 4.6078 4.8817 4.8847 6.2563 6.3191 6.9727 7.0132 7.5888 7.5929 7.7534 7.7591 k = 0.0930 0.0537-0.0000 ( 2008 PWs) bands (ev): -6.0703 -6.0703 -4.6227 -4.6221 -0.8038 -0.7742 2.9088 3.0292 3.5243 3.5477 3.9294 3.9335 4.5383 4.5392 4.8554 4.8570 6.3461 6.4059 7.0396 7.0882 7.6064 7.6071 7.7950 7.8014 k = 0.1047 0.0604-0.0000 ( 2004 PWs) bands (ev): -6.0511 -6.0511 -4.6077 -4.6070 -0.7938 -0.7599 2.7822 2.9075 3.4747 3.4948 3.8207 3.8255 4.4750 4.4929 4.8261 4.8264 6.4252 6.4779 7.1062 7.1601 7.6340 7.6380 7.8407 7.8475 k = 0.1163 0.0671-0.0000 ( 2000 PWs) bands (ev): -6.0298 -6.0298 -4.5910 -4.5903 -0.7829 -0.7444 2.6518 2.7812 3.4223 3.4367 3.7018 3.7123 4.4168 4.4504 4.7930 4.7937 6.4891 6.5307 7.1727 7.2284 7.6764 7.6861 7.8898 7.8969 k = 0.1279 0.0738-0.0000 ( 2000 PWs) bands (ev): -6.0063 -6.0062 -4.5728 -4.5721 -0.7712 -0.7278 2.5192 2.6526 3.3642 3.3686 3.5848 3.5952 4.3622 4.4099 4.7569 4.7586 6.5347 6.5630 7.2373 7.2928 7.7363 7.7528 7.9416 7.9486 k = 0.1395 0.0806-0.0000 ( 2004 PWs) bands (ev): -5.9806 -5.9806 -4.5532 -4.5524 -0.7589 -0.7104 2.3860 2.5231 3.2820 3.2945 3.4808 3.4826 4.3095 4.3698 4.7182 4.7211 6.5620 6.5769 7.2971 7.3518 7.8142 7.8385 7.9954 8.0017 k = 0.1512 0.0873-0.0000 ( 1998 PWs) bands (ev): -5.9529 -5.9528 -4.5321 -4.5313 -0.7463 -0.6923 2.2532 2.3942 3.1717 3.2035 3.3864 3.3970 4.2577 4.3292 4.6773 4.6813 6.5730 6.5757 7.3499 7.4039 7.9083 7.9410 8.0510 8.0554 k = 0.1628 0.0940-0.0000 ( 2002 PWs) bands (ev): -5.9231 -5.9230 -4.5098 -4.5090 -0.7335 -0.6736 2.1218 2.2669 3.0431 3.0887 3.3108 3.3292 4.2057 4.2872 4.6344 4.6396 6.5634 6.5707 7.3948 7.4485 8.0132 8.0557 8.1082 8.1088 k = 0.1744 0.1007-0.0000 ( 2008 PWs) bands (ev): -5.8913 -5.8912 -4.4863 -4.4855 -0.7208 -0.6548 1.9929 2.1421 2.9049 2.9585 3.2486 3.2700 4.1529 4.2434 4.5898 4.5964 6.5430 6.5582 7.4325 7.4859 8.1146 8.1585 8.1755 8.1766 k = 0.1860 0.1074-0.0000 ( 2008 PWs) bands (ev): -5.8575 -5.8574 -4.4617 -4.4609 -0.7087 -0.6360 1.8671 2.0208 2.7621 2.8209 3.1931 3.2154 4.0989 4.1976 4.5439 4.5521 6.5171 6.5382 7.4635 7.5164 8.1867 8.2042 8.2696 8.2789 k = 0.1977 0.1141-0.0000 ( 2000 PWs) bands (ev): -5.8218 -5.8217 -4.4361 -4.4354 -0.6973 -0.6178 1.7454 1.9037 2.6173 2.6802 3.1411 3.1634 4.0434 4.1495 4.4971 4.5069 6.4875 6.5130 7.4885 7.5404 8.2375 8.2379 8.3139 8.3140 k = 0.2093 0.1208-0.0000 ( 2010 PWs) bands (ev): -5.7842 -5.7841 -4.4097 -4.4092 -0.6871 -0.6004 1.6286 1.7916 2.4720 2.5384 3.0912 3.1133 3.9862 4.0989 4.4499 4.4612 6.4554 6.4840 7.5077 7.5579 8.2454 8.2725 8.3129 8.3330 k = 0.2209 0.1276-0.0000 ( 2014 PWs) bands (ev): -5.7448 -5.7447 -4.3828 -4.3823 -0.6786 -0.5844 1.5175 1.6851 2.3270 2.3967 3.0429 3.0648 3.9272 4.0457 4.4026 4.4155 6.4217 6.4523 7.5212 7.5690 8.2343 8.2743 8.3374 8.3629 k = 0.2326 0.1343-0.0000 ( 2020 PWs) bands (ev): -5.7038 -5.7036 -4.3554 -4.3549 -0.6721 -0.5703 1.4130 1.5850 2.1831 2.2560 2.9960 3.0177 3.8664 3.9897 4.3558 4.3700 6.3872 6.4190 7.5290 7.5737 8.2187 8.2653 8.3699 8.3937 k = 0.2442 0.1410-0.0000 ( 2020 PWs) bands (ev): -5.6610 -5.6608 -4.3277 -4.3274 -0.6680 -0.5588 1.3161 1.4919 2.0406 2.1169 2.9506 2.9721 3.8038 3.9311 4.3099 4.3251 6.3524 6.3846 7.5311 7.5721 8.2041 8.2572 8.3993 8.4215 k = 0.2558 0.1477-0.0000 ( 2016 PWs) bands (ev): -5.6167 -5.6165 -4.2999 -4.2998 -0.6669 -0.5505 1.2276 1.4062 1.8999 1.9802 2.9066 2.9280 3.7395 3.8698 4.2651 4.2811 6.3175 6.3496 7.5276 7.5647 8.1918 8.2513 8.4242 8.4450 k = 0.2674 0.1544-0.0000 ( 2016 PWs) bands (ev): -5.5710 -5.5707 -4.2724 -4.2724 -0.6689 -0.5460 1.1486 1.3281 1.7615 1.8466 2.8640 2.8853 3.6736 3.8060 4.2218 4.2382 6.2828 6.3145 7.5189 7.5520 8.1822 8.2472 8.4445 8.4639 k = 0.2791 0.1611-0.0000 ( 2006 PWs) bands (ev): -5.5240 -5.5237 -4.2454 -4.2453 -0.6744 -0.5460 1.0796 1.2577 1.6257 1.7170 2.8230 2.8443 3.6063 3.7399 4.1801 4.1966 6.2487 6.2794 7.5058 7.5351 8.1750 8.2440 8.4605 8.4784 k = 0.2907 0.1678-0.0000 ( 2004 PWs) bands (ev): -5.4757 -5.4754 -4.2192 -4.2189 -0.6834 -0.5507 1.0214 1.1941 1.4927 1.5926 2.7836 2.8050 3.5378 3.6718 4.1403 4.1566 6.2152 6.2448 7.4888 7.5147 8.1692 8.2405 8.4724 8.4888 k = 0.3023 0.1745-0.0000 ( 2004 PWs) bands (ev): -5.4264 -5.4260 -4.1941 -4.1936 -0.6958 -0.5603 0.9742 1.1355 1.3632 1.4759 2.7459 2.7675 3.4685 3.6020 4.1023 4.1182 6.1825 6.2108 7.4690 7.4918 8.1644 8.2360 8.4808 8.4955 k = 0.3140 0.1813-0.0000 ( 2014 PWs) bands (ev): -5.3762 -5.3758 -4.1702 -4.1696 -0.7113 -0.5748 0.9376 1.0780 1.2377 1.3708 2.7100 2.7318 3.3986 3.5309 4.0664 4.0816 6.1508 6.1776 7.4471 7.4672 8.1596 8.2297 8.4858 8.4989 k = 0.3256 0.1880-0.0000 ( 2014 PWs) bands (ev): -5.3253 -5.3249 -4.1480 -4.1473 -0.7294 -0.5936 0.9102 1.0154 1.1179 1.2835 2.6759 2.6979 3.3285 3.4589 4.0325 4.0470 6.1202 6.1454 7.4239 7.4418 8.1545 8.2216 8.4881 8.4996 k = 0.3372 0.1947-0.0000 ( 2008 PWs) bands (ev): -5.2740 -5.2735 -4.1277 -4.1268 -0.7493 -0.6160 0.8857 0.9413 1.0095 1.2200 2.6437 2.6661 3.2587 3.3864 4.0007 4.0143 6.0909 6.1144 7.4002 7.4161 8.1488 8.2118 8.4880 8.4981 k = 0.3488 0.2014-0.0000 ( 2012 PWs) bands (ev): -5.2224 -5.2219 -4.1096 -4.1086 -0.7704 -0.6409 0.8362 0.8554 0.9400 1.1804 2.6134 2.6362 3.1895 3.3138 3.9710 3.9836 6.0629 6.0847 7.3765 7.3906 8.1425 8.2007 8.4861 8.4948 k = 0.3605 0.2081-0.0000 ( 2012 PWs) bands (ev): -5.1709 -5.1703 -4.0940 -4.0929 -0.7915 -0.6672 0.7447 0.7624 0.9256 1.1593 2.5852 2.6084 3.1215 3.2416 3.9435 3.9550 6.0365 6.0565 7.3533 7.3659 8.1357 8.1888 8.4826 8.4902 k = 0.3721 0.2148-0.0000 ( 2012 PWs) bands (ev): -5.1197 -5.1192 -4.0811 -4.0800 -0.8119 -0.6938 0.6442 0.6673 0.9325 1.1510 2.5590 2.5827 3.0552 3.1703 3.9181 3.9286 6.0117 6.0300 7.3310 7.3422 8.1286 8.1764 8.4782 8.4848 k = 0.3837 0.2215-0.0000 ( 2012 PWs) bands (ev): -5.0694 -5.0689 -4.0711 -4.0698 -0.8307 -0.7196 0.5461 0.5734 0.9487 1.1514 2.5350 2.5591 2.9912 3.1005 3.8948 3.9043 5.9887 6.0053 7.3099 7.3199 8.1215 8.1641 8.4731 8.4788 k = 0.3953 0.2283-0.0000 ( 2004 PWs) bands (ev): -5.0203 -5.0198 -4.0639 -4.0627 -0.8471 -0.7438 0.4528 0.4829 0.9709 1.1578 2.5132 2.5377 2.9301 3.0327 3.8738 3.8822 5.9677 5.9824 7.2903 7.2991 8.1145 8.1521 8.4677 8.4726 k = 0.4070 0.2350-0.0000 ( 2008 PWs) bands (ev): -4.9730 -4.9725 -4.0596 -4.0584 -0.8606 -0.7656 0.3657 0.3972 0.9972 1.1679 2.4937 2.5184 2.8729 2.9675 3.8549 3.8623 5.9486 5.9616 7.2723 7.2800 8.1079 8.1407 8.4621 8.4663 k = 0.4186 0.2417-0.0000 ( 2010 PWs) bands (ev): -4.9281 -4.9276 -4.0579 -4.0568 -0.8707 -0.7848 0.2858 0.3173 1.0262 1.1801 2.4767 2.5013 2.8201 2.9058 3.8383 3.8447 5.9316 5.9429 7.2562 7.2629 8.1020 8.1301 8.4568 8.4604 k = 0.4302 0.2484-0.0000 ( 2014 PWs) bands (ev): -4.8863 -4.8858 -4.0587 -4.0576 -0.8774 -0.8011 0.2139 0.2444 1.0567 1.1927 2.4622 2.4863 2.7726 2.8482 3.8239 3.8293 5.9167 5.9264 7.2421 7.2478 8.0968 8.1205 8.4519 8.4549 k = 0.4419 0.2551-0.0000 ( 2020 PWs) bands (ev): -4.8484 -4.8480 -4.0612 -4.0603 -0.8805 -0.8148 0.1512 0.1793 1.0874 1.2042 2.4504 2.4733 2.7313 2.7957 3.8117 3.8162 5.9042 5.9122 7.2301 7.2348 8.0924 8.1120 8.4475 8.4499 k = 0.4535 0.2618-0.0000 ( 2016 PWs) bands (ev): -4.8154 -4.8151 -4.0650 -4.0642 -0.8805 -0.8262 0.0987 0.1232 1.1171 1.2133 2.4416 2.4623 2.6971 2.7494 3.8018 3.8054 5.8939 5.9003 7.2202 7.2240 8.0891 8.1045 8.4438 8.4457 k = 0.4651 0.2685-0.0000 ( 2012 PWs) bands (ev): -4.7883 -4.7880 -4.0691 -4.0685 -0.8778 -0.8359 0.0573 0.0771 1.1448 1.2187 2.4357 2.4531 2.6708 2.7102 3.7942 3.7969 5.8861 5.8909 7.2126 7.2154 8.0869 8.0983 8.4409 8.4423 k = 0.4767 0.2752-0.0000 ( 2016 PWs) bands (ev): -4.7680 -4.7678 -4.0729 -4.0725 -0.8730 -0.8444 0.0281 0.0420 1.1693 1.2195 2.4328 2.4455 2.6531 2.6794 3.7889 3.7907 5.8807 5.8839 7.2073 7.2091 8.0857 8.0933 8.4388 8.4397 k = 0.4884 0.2820-0.0000 ( 2010 PWs) bands (ev): -4.7554 -4.7553 -4.0754 -4.0752 -0.8668 -0.8523 0.0118 0.0190 1.1896 1.2151 2.4328 2.4394 2.6447 2.6579 3.7859 3.7868 5.8778 5.8794 7.2043 7.2052 8.0858 8.0896 8.4376 8.4380 k = 0.5000 0.2887-0.0000 ( 2018 PWs) bands (ev): -4.7511 -4.7511 -4.0763 -4.0763 -0.8598 -0.8598 0.0088 0.0088 1.2050 1.2050 2.4351 2.4351 2.6463 2.6463 3.7852 3.7852 5.8773 5.8773 7.2036 7.2036 8.0871 8.0871 8.4373 8.4373 k = 0.5000 0.2887-0.0000 ( 2018 PWs) bands (ev): -4.7511 -4.7511 -4.0763 -4.0763 -0.8598 -0.8598 0.0088 0.0088 1.2050 1.2050 2.4351 2.4351 2.6463 2.6463 3.7852 3.7852 5.8773 5.8773 7.2036 7.2036 8.0871 8.0871 8.4373 8.4373 k = 0.4933 0.3002-0.0000 ( 2010 PWs) bands (ev): -4.7501 -4.7501 -4.0762 -4.0762 -0.8599 -0.8575 0.0086 0.0092 1.2006 1.2105 2.4180 2.4378 2.6436 2.6471 3.7767 3.7768 5.8840 5.8950 7.2122 7.2173 8.0351 8.0878 8.4281 8.4965 k = 0.4867 0.3118-0.0000 ( 2013 PWs) bands (ev): -4.7473 -4.7473 -4.0761 -4.0760 -0.8579 -0.8532 0.0087 0.0098 1.1971 1.2172 2.3867 2.4264 2.6393 2.6460 3.7518 3.7518 5.9149 5.9365 7.2422 7.2529 7.9599 8.0338 8.4724 8.5781 k = 0.4800 0.3233-0.0000 ( 2013 PWs) bands (ev): -4.7426 -4.7425 -4.0759 -4.0757 -0.8538 -0.8467 0.0089 0.0106 1.1943 1.2250 2.3422 2.4020 2.6337 2.6431 3.7113 3.7117 5.9692 6.0005 7.2902 7.3085 7.8793 7.9531 8.5433 8.6665 k = 0.4733 0.3349-0.0000 ( 2011 PWs) bands (ev): -4.7360 -4.7359 -4.0756 -4.0754 -0.8477 -0.8381 0.0093 0.0115 1.1919 1.2339 2.2860 2.3662 2.6269 2.6385 3.6572 3.6583 6.0453 6.0855 7.3484 7.3792 7.8053 7.8661 8.6232 8.7551 k = 0.4667 0.3464-0.0000 ( 2011 PWs) bands (ev): -4.7276 -4.7275 -4.0753 -4.0751 -0.8395 -0.8274 0.0096 0.0125 1.1896 1.2439 2.2203 2.3209 2.6188 2.6323 3.5914 3.5936 6.1416 6.1895 7.3984 7.4536 7.7572 7.7894 8.7052 8.8410 k = 0.4600 0.3580-0.0000 ( 2011 PWs) bands (ev): -4.7174 -4.7172 -4.0751 -4.0748 -0.8293 -0.8146 0.0099 0.0134 1.1869 1.2546 2.1474 2.2688 2.6094 2.6244 3.5162 3.5202 6.2559 6.3106 7.4064 7.4957 7.7597 7.7682 8.7868 8.9227 k = 0.4533 0.3695-0.0000 ( 2007 PWs) bands (ev): -4.7053 -4.7052 -4.0751 -4.0747 -0.8172 -0.7997 0.0099 0.0141 1.1831 1.2656 2.0697 2.2123 2.5984 2.6149 3.4339 3.4402 6.3864 6.4468 7.3625 7.4620 7.8196 7.8469 8.8671 8.9994 k = 0.4467 0.3811-0.0000 ( 2011 PWs) bands (ev): -4.6916 -4.6913 -4.0753 -4.0749 -0.8031 -0.7828 0.0094 0.0143 1.1775 1.2764 1.9898 2.1543 2.5858 2.6033 3.3467 3.3559 6.5309 6.5963 7.2921 7.3856 7.9346 7.9666 8.9461 9.0711 k = 0.4400 0.3926-0.0000 ( 2015 PWs) bands (ev): -4.6761 -4.6758 -4.0759 -4.0755 -0.7872 -0.7640 0.0084 0.0140 1.1694 1.2858 1.9104 2.0974 2.5713 2.5896 3.2564 3.2692 6.6879 6.7574 7.2128 7.2982 8.0713 8.1083 9.0245 9.1384 k = 0.4333 0.4041-0.0000 ( 2021 PWs) bands (ev): -4.6589 -4.6586 -4.0770 -4.0765 -0.7696 -0.7432 0.0064 0.0129 1.1576 1.2920 1.8348 2.0442 2.5548 2.5735 3.1650 3.1822 6.8556 6.9285 7.1322 7.2093 8.2181 8.2632 9.1038 9.2025 k = 0.4267 0.4157-0.0000 ( 2025 PWs) bands (ev): -4.6401 -4.6398 -4.0787 -4.0782 -0.7503 -0.7205 0.0033 0.0107 1.1415 1.2924 1.7671 1.9970 2.5359 2.5547 3.0740 3.0963 7.0315 7.0466 7.1149 7.1233 8.3691 8.4267 9.1858 9.2651 k = 0.4200 0.4272-0.0000 ( 2021 PWs) bands (ev): -4.6198 -4.6195 -4.0812 -4.0807 -0.7294 -0.6961 -0.0012 0.0072 1.1204 1.2833 1.7121 1.9577 2.5146 2.5329 2.9849 3.0131 6.9726 7.0360 7.2204 7.3008 8.5197 8.5948 9.2732 9.3284 k = 0.4133 0.4388-0.0000 ( 2029 PWs) bands (ev): -4.5981 -4.5977 -4.0846 -4.0841 -0.7070 -0.6699 -0.0074 0.0020 1.0941 1.2610 1.6744 1.9276 2.4906 2.5081 2.8990 2.9338 6.8994 6.9565 7.4129 7.4970 8.6651 8.7637 9.3687 9.3951 k = 0.4067 0.4503-0.0000 ( 2033 PWs) bands (ev): -4.5749 -4.5745 -4.0892 -4.0887 -0.6833 -0.6420 -0.0156 -0.0050 1.0630 1.2246 1.6559 1.9072 2.4636 2.4802 2.8176 2.8594 6.8305 6.8814 7.6122 7.6999 8.8011 8.9282 9.4688 9.4747 k = 0.4000 0.4619-0.0000 ( 2033 PWs) bands (ev): -4.5504 -4.5501 -4.0951 -4.0946 -0.6584 -0.6126 -0.0260 -0.0143 1.0281 1.1770 1.6544 1.8964 2.4336 2.4496 2.7417 2.7905 6.7667 6.8116 7.8170 7.9088 8.9242 9.0819 9.5543 9.5917 k = 0.3933 0.4734-0.0000 ( 2029 PWs) bands (ev): -4.5248 -4.5244 -4.1024 -4.1019 -0.6324 -0.5818 -0.0389 -0.0260 0.9910 1.1230 1.6659 1.8945 2.4004 2.4170 2.6723 2.7272 6.7084 6.7475 8.0264 8.1229 9.0334 9.2174 9.6560 9.7166 k = 0.3867 0.4850-0.0000 ( 2033 PWs) bands (ev): -4.4980 -4.4977 -4.1115 -4.1110 -0.6056 -0.5498 -0.0545 -0.0403 0.9531 1.0671 1.6865 1.9005 2.3642 2.3833 2.6099 2.6691 6.6558 6.6894 8.2392 8.3417 9.1299 9.3309 9.7735 9.8422 k = 0.3800 0.4965-0.0000 ( 2027 PWs) bands (ev): -4.4703 -4.4700 -4.1223 -4.1219 -0.5782 -0.5165 -0.0729 -0.0575 0.9163 1.0124 1.7135 1.9133 2.3257 2.3501 2.5546 2.6155 6.6094 6.6378 8.4541 8.5645 9.2166 9.4248 9.8983 9.9586 k = 0.3733 0.5081-0.0000 ( 2015 PWs) bands (ev): -4.4418 -4.4415 -4.1352 -4.1348 -0.5503 -0.4823 -0.0940 -0.0776 0.8821 0.9612 1.7451 1.9317 2.2854 2.3186 2.5065 2.5658 6.5692 6.5926 8.6690 8.7910 9.2966 9.5052 10.0169 10.0561 k = 0.3667 0.5196-0.0000 ( 2021 PWs) bands (ev): -4.4127 -4.4124 -4.1504 -4.1500 -0.5225 -0.4472 -0.1175 -0.1006 0.8517 0.9151 1.7801 1.9546 2.2442 2.2902 2.4653 2.5194 6.5354 6.5542 8.8799 9.0201 9.3740 9.5774 10.1137 10.1139 k = 0.3600 0.5312-0.0000 ( 2021 PWs) bands (ev): -4.3831 -4.3828 -4.1678 -4.1676 -0.4952 -0.4115 -0.1430 -0.1263 0.8264 0.8750 1.8175 1.9807 2.2028 2.2656 2.4310 2.4763 6.5081 6.5225 9.0784 9.2509 9.4554 9.6447 10.0947 10.1499 k = 0.3533 0.5427-0.0000 ( 2017 PWs) bands (ev): -4.3531 -4.3529 -4.1878 -4.1876 -0.4693 -0.3755 -0.1692 -0.1542 0.8070 0.8420 1.8562 2.0085 2.1617 2.2450 2.4039 2.4373 6.4873 6.4976 9.2457 9.4814 9.5539 9.7086 10.0632 10.1105 k = 0.3467 0.5543-0.0000 ( 2019 PWs) bands (ev): -4.3231 -4.3229 -4.2103 -4.2102 -0.4464 -0.3399 -0.1942 -0.1836 0.7942 0.8166 1.8945 2.0358 2.1219 2.2284 2.3846 2.4043 6.4729 6.4795 9.3580 9.6787 9.7064 9.7688 10.0474 10.0604 k = 0.3400 0.5658-0.0000 ( 2019 PWs) bands (ev): -4.2932 -4.2931 -4.2355 -4.2354 -0.4294 -0.3070 -0.2146 -0.2116 0.7884 0.7991 1.9280 2.0585 2.0871 2.2159 2.3736 2.3810 6.4650 6.4681 9.4153 9.7913 9.8182 9.8979 10.0337 10.0773 k = 0.3333 0.5774-0.0000 ( 2019 PWs) bands (ev): -4.2655 -4.2655 -4.2614 -4.2614 -0.4227 -0.2893 -0.2252 -0.2252 0.7899 0.7899 1.9439 2.0695 2.0695 2.2104 2.3712 2.3712 6.4634 6.4634 9.4322 9.8360 9.8360 9.9369 10.0972 10.1483 k = 0.3333 0.5774-0.0000 ( 2019 PWs) bands (ev): -4.2655 -4.2655 -4.2614 -4.2614 -0.4227 -0.2893 -0.2252 -0.2252 0.7899 0.7899 1.9439 2.0695 2.0695 2.2104 2.3712 2.3712 6.4634 6.4634 9.4322 9.8360 9.8360 9.9369 10.0972 10.1485 k = 0.3265 0.5656-0.0000 ( 2023 PWs) bands (ev): -4.2949 -4.2948 -4.2339 -4.2338 -0.4302 -0.3068 -0.2213 -0.2037 0.7890 0.7988 1.9261 2.0606 2.0848 2.2176 2.3773 2.3779 6.4652 6.4681 9.4171 9.7937 9.8288 9.9252 10.0570 10.1036 k = 0.3197 0.5538-0.0000 ( 2015 PWs) bands (ev): -4.3291 -4.3289 -4.2053 -4.2051 -0.4507 -0.3388 -0.2032 -0.1669 0.7966 0.8153 1.8861 2.0324 2.1214 2.2371 2.3937 2.3987 6.4736 6.4790 9.3770 9.7226 9.7871 9.8582 9.9810 10.0025 k = 0.3129 0.5420-0.0000 ( 2027 PWs) bands (ev): -4.3660 -4.3657 -4.1779 -4.1776 -0.4791 -0.3735 -0.1747 -0.1258 0.8125 0.8390 1.8378 1.9923 2.1656 2.2642 2.4183 2.4325 6.4883 6.4959 9.3189 9.6401 9.7196 9.7619 9.8770 9.8856 k = 0.3061 0.5302-0.0000 ( 2027 PWs) bands (ev): -4.4056 -4.4053 -4.1519 -4.1515 -0.5112 -0.4081 -0.1392 -0.0820 0.8361 0.8696 1.7860 1.9459 2.2128 2.2962 2.4510 2.4755 6.5091 6.5185 9.2488 9.5506 9.6371 9.6575 9.7687 9.7726 k = 0.2993 0.5184-0.0000 ( 2019 PWs) bands (ev): -4.4477 -4.4473 -4.1277 -4.1272 -0.5442 -0.4413 -0.0983 -0.0357 0.8670 0.9067 1.7327 1.8959 2.2619 2.3325 2.4912 2.5254 6.5356 6.5466 9.1707 9.4554 9.5467 9.5510 9.6551 9.6721 k = 0.2925 0.5067-0.0000 ( 2021 PWs) bands (ev): -4.4922 -4.4917 -4.1056 -4.1049 -0.5764 -0.4724 -0.0527 0.0132 0.9043 0.9498 1.6790 1.8442 2.3126 2.3728 2.5378 2.5804 6.5677 6.5800 9.0870 9.3560 9.4447 9.4516 9.5461 9.5761 k = 0.2857 0.4949-0.0000 ( 2021 PWs) bands (ev): -4.5389 -4.5383 -4.0859 -4.0850 -0.6067 -0.5007 -0.0028 0.0651 0.9473 0.9985 1.6259 1.7918 2.3649 2.4171 2.5901 2.6393 6.6050 6.6182 8.9999 9.2540 9.3397 9.3532 9.4427 9.4840 k = 0.2789 0.4831-0.0000 ( 2033 PWs) bands (ev): -4.5876 -4.5869 -4.0687 -4.0678 -0.6342 -0.5256 0.0513 0.1203 0.9947 1.0522 1.5745 1.7395 2.4191 2.4653 2.6470 2.7013 6.6471 6.6610 8.9106 9.1507 9.2367 9.2526 9.3449 9.3950 k = 0.2721 0.4713-0.0000 ( 2033 PWs) bands (ev): -4.6380 -4.6373 -4.0545 -4.0534 -0.6583 -0.5468 0.1098 0.1790 1.0453 1.1106 1.5263 1.6882 2.4752 2.5171 2.7078 2.7658 6.6937 6.7080 8.8202 9.0474 9.1361 9.1515 9.2519 9.3084 k = 0.2653 0.4595-0.0000 ( 2035 PWs) bands (ev): -4.6900 -4.6893 -4.0433 -4.0421 -0.6787 -0.5639 0.1726 0.2416 1.0964 1.1731 1.4838 1.6384 2.5336 2.5722 2.7718 2.8326 6.7444 6.7588 8.7296 8.9451 9.0384 9.0511 9.1628 9.2238 k = 0.2585 0.4477-0.0000 ( 2035 PWs) bands (ev): -4.7432 -4.7425 -4.0353 -4.0340 -0.6950 -0.5768 0.2398 0.3081 1.1434 1.2391 1.4517 1.5910 2.5940 2.6305 2.8385 2.9011 6.7988 6.8131 8.6395 8.8444 8.9437 8.9525 9.0768 9.1409 k = 0.2517 0.4360-0.0000 ( 2035 PWs) bands (ev): -4.7976 -4.7969 -4.0307 -4.0293 -0.7071 -0.5853 0.3113 0.3787 1.1778 1.3075 1.4387 1.5472 2.6566 2.6917 2.9074 2.9713 6.8564 6.8702 8.5504 8.7457 8.8524 8.8564 8.9935 9.0597 k = 0.2449 0.4242-0.0000 ( 2031 PWs) bands (ev): -4.8527 -4.8520 -4.0295 -4.0280 -0.7151 -0.5897 0.3873 0.4535 1.1897 1.3754 1.4548 1.5103 2.7211 2.7554 2.9781 3.0427 6.9167 6.9297 8.4631 8.6496 8.7633 8.7649 8.9127 8.9799 k = 0.2381 0.4124-0.0000 ( 2025 PWs) bands (ev): -4.9085 -4.9078 -4.0316 -4.0302 -0.7192 -0.5901 0.4676 0.5325 1.1805 1.4221 1.4990 1.5014 2.7874 2.8214 3.0505 3.1154 6.9790 6.9910 8.3778 8.5561 8.6738 8.6817 8.8340 8.9017 k = 0.2313 0.4006-0.0000 ( 2029 PWs) bands (ev): -4.9647 -4.9640 -4.0372 -4.0358 -0.7196 -0.5870 0.5522 0.6156 1.1605 1.4117 1.5564 1.5614 2.8554 2.8895 3.1242 3.1889 7.0424 7.0531 8.2950 8.4654 8.5883 8.6032 8.7575 8.8250 k = 0.2245 0.3888-0.0000 ( 2029 PWs) bands (ev): -5.0211 -5.0204 -4.0460 -4.0446 -0.7168 -0.5808 0.6411 0.7027 1.1381 1.3869 1.6331 1.6340 2.9247 2.9594 3.1989 3.2632 7.1060 7.1151 8.2152 8.3779 8.5075 8.5303 8.6831 8.7500 k = 0.2177 0.3770-0.0000 ( 2033 PWs) bands (ev): -5.0774 -5.0768 -4.0578 -4.0565 -0.7113 -0.5724 0.7341 0.7938 1.1179 1.3646 1.7129 1.7152 2.9952 3.0307 3.2745 3.3381 7.1683 7.1757 8.1389 8.2935 8.4322 8.4639 8.6109 8.6766 k = 0.2109 0.3653-0.0000 ( 2037 PWs) bands (ev): -5.1335 -5.1329 -4.0726 -4.0714 -0.7038 -0.5625 0.8310 0.8882 1.1030 1.3477 1.7959 1.8000 3.0667 3.1033 3.3509 3.4133 7.2275 7.2333 8.0664 8.2124 8.3638 8.4052 8.5406 8.6049 k = 0.2041 0.3535-0.0000 ( 2037 PWs) bands (ev): -5.1892 -5.1887 -4.0899 -4.0888 -0.6949 -0.5519 0.9318 0.9840 1.0969 1.3375 1.8821 1.8869 3.1388 3.1768 3.4277 3.4888 7.2812 7.2860 7.9982 8.1347 8.3039 8.3559 8.4725 8.5349 k = 0.1973 0.3417-0.0000 ( 2037 PWs) bands (ev): -5.2444 -5.2438 -4.1097 -4.1087 -0.6854 -0.5417 1.0361 1.0622 1.1199 1.3351 1.9706 1.9754 3.2112 3.2509 3.5048 3.5643 7.3264 7.3312 7.9346 8.0606 8.2550 8.3178 8.4064 8.4667 k = 0.1905 0.3299-0.0000 ( 2037 PWs) bands (ev): -5.2988 -5.2983 -4.1315 -4.1306 -0.6760 -0.5326 1.0862 1.1431 1.2094 1.3416 2.0610 2.0651 3.2838 3.3255 3.5821 3.6397 7.3595 7.3666 7.8754 7.9900 8.2202 8.2928 8.3424 8.4003 k = 0.1837 0.3181-0.0000 ( 2033 PWs) bands (ev): -5.3523 -5.3518 -4.1550 -4.1544 -0.6674 -0.5255 1.1051 1.2503 1.3171 1.3603 2.1529 2.1558 3.3562 3.4001 3.6594 3.7148 7.3776 7.3899 7.8202 7.9231 8.2026 8.2804 8.2824 8.3358 k = 0.1769 0.3063-0.0000 ( 2029 PWs) bands (ev): -5.4048 -5.4044 -4.1801 -4.1796 -0.6602 -0.5211 1.1320 1.3412 1.4078 1.4301 2.2459 2.2471 3.4281 3.4744 3.7365 3.7894 7.3795 7.3998 7.7677 7.8600 8.2034 8.2204 8.2719 8.2882 k = 0.1701 0.2946-0.0000 ( 2025 PWs) bands (ev): -5.4561 -5.4558 -4.2064 -4.2061 -0.6549 -0.5198 1.1687 1.3924 1.5075 1.5469 2.3389 2.3397 3.4994 3.5483 3.8132 3.8633 7.3665 7.3965 7.7170 7.8006 8.1624 8.2116 8.2216 8.3059 k = 0.1633 0.2828-0.0000 ( 2023 PWs) bands (ev): -5.5062 -5.5059 -4.2336 -4.2335 -0.6518 -0.5217 1.2156 1.4379 1.6256 1.6668 2.4307 2.4340 3.5696 3.6212 3.8894 3.9364 7.3418 7.3817 7.6674 7.7451 8.1064 8.1524 8.2532 8.3350 k = 0.1565 0.2710-0.0000 ( 2023 PWs) bands (ev): -5.5549 -5.5546 -4.2615 -4.2615 -0.6510 -0.5270 1.2725 1.4901 1.7493 1.7897 2.5225 2.5286 3.6387 3.6931 3.9648 4.0086 7.3089 7.3574 7.6188 7.6934 8.0524 8.0949 8.2933 8.3709 k = 0.1497 0.2592-0.0000 ( 2023 PWs) bands (ev): -5.6021 -5.6019 -4.2899 -4.2898 -0.6527 -0.5355 1.3392 1.5506 1.8765 1.9150 2.6139 2.6232 3.7063 3.7635 4.0393 4.0795 7.2707 7.3259 7.5716 7.6457 8.0002 8.0392 8.3365 8.4092 k = 0.1429 0.2474-0.0000 ( 2025 PWs) bands (ev): -5.6478 -5.6476 -4.3185 -4.3182 -0.6568 -0.5468 1.4150 1.6196 2.0065 2.0425 2.7047 2.7176 3.7722 3.8321 4.1125 4.1491 7.2291 7.2892 7.5261 7.6018 7.9500 7.9851 8.3779 8.4455 k = 0.1361 0.2357-0.0000 ( 2027 PWs) bands (ev): -5.6918 -5.6916 -4.3470 -4.3466 -0.6631 -0.5605 1.4995 1.6970 2.1387 2.1718 2.7947 2.8116 3.8364 3.8988 4.1844 4.2172 7.1852 7.2485 7.4827 7.5616 7.9017 7.9327 8.4128 8.4752 k = 0.1293 0.2239-0.0000 ( 2015 PWs) bands (ev): -5.7341 -5.7339 -4.3751 -4.3746 -0.6713 -0.5762 1.5918 1.7821 2.2727 2.3024 2.8837 2.9052 3.8988 3.9633 4.2546 4.2836 7.1396 7.2048 7.4418 7.5250 7.8554 7.8819 8.4369 8.4939 k = 0.1224 0.2121-0.0000 ( 2019 PWs) bands (ev): -5.7746 -5.7745 -4.4028 -4.4022 -0.6811 -0.5934 1.6913 1.8745 2.4077 2.4335 2.9719 2.9982 3.9593 4.0254 4.3228 4.3481 7.0921 7.1583 7.4035 7.4918 7.8110 7.8328 8.4461 8.4977 k = 0.1156 0.2003-0.0000 ( 2021 PWs) bands (ev): -5.8132 -5.8131 -4.4299 -4.4292 -0.6923 -0.6118 1.7972 1.9735 2.5431 2.5644 3.0591 3.0907 4.0179 4.0850 4.3888 4.4105 7.0424 7.1092 7.3679 7.4613 7.7687 7.7856 8.4375 8.4834 k = 0.1088 0.1885-0.0000 ( 2017 PWs) bands (ev): -5.8499 -5.8498 -4.4560 -4.4553 -0.7044 -0.6309 1.9087 2.0785 2.6778 2.6941 3.1459 3.1831 4.0748 4.1419 4.4523 4.4706 6.9900 7.0572 7.3346 7.4331 7.7288 7.7406 8.4094 8.4493 k = 0.1020 0.1767-0.0000 ( 2017 PWs) bands (ev): -5.8846 -5.8845 -4.4813 -4.4805 -0.7172 -0.6503 2.0252 2.1887 2.8103 2.8212 3.2328 3.2756 4.1302 4.1962 4.5130 4.5281 6.9340 7.0018 7.3032 7.4059 7.6915 7.6982 8.3625 8.3962 k = 0.0952 0.1650-0.0000 ( 2013 PWs) bands (ev): -5.9172 -5.9172 -4.5054 -4.5046 -0.7304 -0.6697 2.1458 2.3034 2.9386 2.9441 3.3212 3.3690 4.1843 4.2480 4.5708 4.5829 6.8735 6.9420 7.2729 7.3782 7.6574 7.6595 8.2997 8.3269 k = 0.0884 0.1532-0.0000 ( 2017 PWs) bands (ev): -5.9478 -5.9478 -4.5283 -4.5275 -0.7436 -0.6888 2.2698 2.4217 3.0600 3.0609 3.4127 3.4640 4.2378 4.2974 4.6252 4.6348 6.8074 6.8769 7.2423 7.3478 7.6258 7.6271 8.2252 8.2462 k = 0.0816 0.1414-0.0000 ( 2015 PWs) bands (ev): -5.9763 -5.9763 -4.5499 -4.5491 -0.7566 -0.7074 2.3963 2.5428 3.1696 3.1715 3.5094 3.5611 4.2912 4.3448 4.6761 4.6836 6.7349 6.8056 7.2100 7.3124 7.5984 7.6016 8.1443 8.1594 k = 0.0748 0.1296-0.0000 ( 2007 PWs) bands (ev): -6.0026 -6.0026 -4.5700 -4.5692 -0.7693 -0.7252 2.5243 2.6656 3.2688 3.2707 3.6122 3.6601 4.3457 4.3909 4.7233 4.7291 6.6554 6.7272 7.1743 7.2699 7.5787 7.5814 8.0619 8.0718 k = 0.0680 0.1178-0.0000 ( 2007 PWs) bands (ev): -6.0268 -6.0268 -4.5887 -4.5879 -0.7813 -0.7422 2.6526 2.7886 3.3571 3.3579 3.7200 3.7595 4.4023 4.4365 4.7665 4.7712 6.5688 6.6411 7.1335 7.2191 7.5666 7.5673 7.9822 7.9877 k = 0.0612 0.1060-0.0000 ( 2003 PWs) bands (ev): -6.0487 -6.0487 -4.6058 -4.6051 -0.7925 -0.7581 2.7799 2.9104 3.4322 3.4373 3.8294 3.8566 4.4625 4.4832 4.8057 4.8098 6.4754 6.5478 7.0866 7.1598 7.5594 7.5615 7.9082 7.9103 k = 0.0544 0.0943-0.0000 ( 2003 PWs) bands (ev): -6.0684 -6.0684 -4.6212 -4.6206 -0.8027 -0.7727 2.9045 3.0287 3.4983 3.5081 3.9352 3.9478 4.5280 4.5328 4.8408 4.8447 6.3768 6.4481 7.0330 7.0928 7.5572 7.5620 7.8416 7.8420 k = 0.0476 0.0825-0.0000 ( 1999 PWs) bands (ev): -6.0858 -6.0858 -4.6350 -4.6344 -0.8119 -0.7861 3.0241 3.1408 3.5583 3.5720 4.0295 4.0321 4.5875 4.5995 4.8715 4.8760 6.2752 6.3441 6.9731 7.0194 7.5598 7.5667 7.7826 7.7845 k = 0.0408 0.0707-0.0000 ( 1997 PWs) bands (ev): -6.1009 -6.1009 -4.6470 -4.6464 -0.8198 -0.7981 3.1360 3.2430 3.6148 3.6305 4.0993 4.1148 4.6492 4.6764 4.8981 4.9038 6.1736 6.2386 6.9081 6.9418 7.5661 7.5741 7.7333 7.7361 k = 0.0340 0.0589-0.0000 ( 1995 PWs) bands (ev): -6.1137 -6.1137 -4.6572 -4.6567 -0.8265 -0.8086 3.2370 3.3310 3.6701 3.6851 4.1563 4.1800 4.7172 4.7559 4.9206 4.9284 6.0759 6.1353 6.8403 6.8628 7.5747 7.5828 7.6933 7.6963 k = 0.0272 0.0471-0.0000 ( 1983 PWs) bands (ev): -6.1242 -6.1242 -4.6655 -4.6652 -0.8317 -0.8175 3.3237 3.4011 3.7251 3.7365 4.2010 4.2275 4.7876 4.8325 4.9397 4.9503 5.9867 6.0384 6.7731 6.7864 7.5841 7.5917 7.6620 7.6650 k = 0.0204 0.0353-0.0000 ( 1983 PWs) bands (ev): -6.1324 -6.1324 -4.6721 -4.6718 -0.8354 -0.8249 3.3934 3.4514 3.7775 3.7839 4.2347 4.2588 4.8526 4.8974 4.9581 4.9712 5.9112 5.9530 6.7111 6.7177 7.5931 7.5994 7.6389 7.6414 k = 0.0136 0.0236-0.0000 ( 1985 PWs) bands (ev): -6.1383 -6.1383 -4.6768 -4.6766 -0.8377 -0.8307 3.4449 3.4829 3.8218 3.8241 4.2588 4.2768 4.9025 4.9351 4.9845 4.9930 5.8545 5.8841 6.6600 6.6624 7.6001 7.6046 7.6237 7.6255 k = 0.0068 0.0118-0.0000 ( 1985 PWs) bands (ev): -6.1418 -6.1418 -4.6796 -4.6795 -0.8383 -0.8349 3.4786 3.4972 3.8516 3.8519 4.2747 4.2843 4.9317 4.9461 5.0124 5.0137 5.8216 5.8369 6.6259 6.6264 7.6035 7.6053 7.6172 7.6177 k = 0.0000 0.0000 0.0000 ( 1985 PWs) bands (ev): -6.1430 -6.1430 -4.6805 -4.6805 -0.8374 -0.8374 3.4958 3.4958 3.8620 3.8620 4.2832 4.2832 4.9444 4.9444 5.0229 5.0229 5.8155 5.8155 6.6139 6.6139 7.6040 7.6040 7.6162 7.6162 k = 0.0000 0.0000 0.0000 ( 1985 PWs) bands (ev): -6.1430 -6.1430 -4.6805 -4.6805 -0.8374 -0.8374 3.4958 3.4958 3.8620 3.8620 4.2832 4.2832 4.9444 4.9444 5.0229 5.0229 5.8155 5.8155 6.6139 6.6139 7.6040 7.6040 7.6162 7.6162 k = 0.0000 0.0000 0.0133 ( 1985 PWs) bands (ev): -6.1418 -6.1418 -4.6834 -4.6834 -0.8320 -0.8320 3.4967 3.4967 3.8630 3.8630 4.2760 4.2760 4.9303 4.9303 5.0209 5.0209 5.8169 5.8169 6.6313 6.6313 7.6055 7.6055 7.6178 7.6178 k = 0.0000 0.0000 0.0266 ( 1985 PWs) bands (ev): -6.1384 -6.1384 -4.6921 -4.6921 -0.8159 -0.8159 3.4996 3.4996 3.8660 3.8660 4.2539 4.2539 4.8909 4.8909 5.0150 5.0150 5.8211 5.8211 6.6810 6.6810 7.6099 7.6099 7.6227 7.6227 k = 0.0000 0.0000 0.0400 ( 1985 PWs) bands (ev): -6.1327 -6.1327 -4.7064 -4.7064 -0.7892 -0.7892 3.5043 3.5043 3.8710 3.8710 4.2151 4.2151 4.8338 4.8338 5.0052 5.0052 5.8282 5.8282 6.7563 6.7563 7.6172 7.6172 7.6308 7.6308 k = 0.0000 0.0000 0.0533 ( 1991 PWs) bands (ev): -6.1247 -6.1247 -4.7262 -4.7262 -0.7523 -0.7523 3.5109 3.5109 3.8780 3.8780 4.1573 4.1573 4.7683 4.7683 4.9917 4.9917 5.8380 5.8380 6.8483 6.8483 7.6274 7.6274 7.6421 7.6421 k = 0.0000 0.0000 0.0666 ( 2009 PWs) bands (ev): -6.1145 -6.1145 -4.7509 -4.7509 -0.7053 -0.7053 3.5194 3.5194 3.8870 3.8870 4.0786 4.0786 4.7025 4.7025 4.9746 4.9746 5.8507 5.8507 6.9476 6.9476 7.6405 7.6405 7.6564 7.6564 k = 0.0000 0.0000 0.0799 ( 2009 PWs) bands (ev): -6.1019 -6.1019 -4.7803 -4.7803 -0.6489 -0.6489 3.5298 3.5298 3.8979 3.8979 3.9792 3.9792 4.6415 4.6415 4.9542 4.9542 5.8662 5.8662 7.0444 7.0444 7.6563 7.6563 7.6737 7.6737 k = 0.0000 0.0000 0.0932 ( 1997 PWs) bands (ev): -6.0872 -6.0872 -4.8138 -4.8138 -0.5834 -0.5834 3.5420 3.5420 3.8614 3.8614 3.9108 3.9108 4.5870 4.5870 4.9307 4.9307 5.8846 5.8846 7.1286 7.1286 7.6748 7.6748 7.6938 7.6938 k = 0.0000 0.0000 0.1066 ( 2003 PWs) bands (ev): -6.0702 -6.0702 -4.8510 -4.8510 -0.5093 -0.5093 3.5559 3.5559 3.7286 3.7286 3.9256 3.9256 4.5382 4.5382 4.9043 4.9043 5.9056 5.9056 7.1908 7.1908 7.6957 7.6957 7.7168 7.7168 k = 0.0000 0.0000 0.1199 ( 2003 PWs) bands (ev): -6.0510 -6.0510 -4.8915 -4.8915 -0.4272 -0.4272 3.5717 3.5717 3.5846 3.5846 3.9423 3.9423 4.4935 4.4935 4.8753 4.8753 5.9295 5.9295 7.2253 7.2253 7.7190 7.7190 7.7423 7.7423 k = 0.0000 0.0000 0.1332 ( 2003 PWs) bands (ev): -6.0296 -6.0296 -4.9347 -4.9347 -0.3375 -0.3375 3.4326 3.4326 3.5893 3.5893 3.9608 3.9608 4.4516 4.4516 4.8440 4.8440 5.9561 5.9561 7.2323 7.2323 7.7445 7.7445 7.7703 7.7703 k = 0.0000 0.0000 0.1465 ( 2003 PWs) bands (ev): -6.0061 -6.0061 -4.9801 -4.9801 -0.2407 -0.2407 3.2749 3.2749 3.6085 3.6085 3.9812 3.9812 4.4114 4.4114 4.8107 4.8107 5.9854 5.9854 7.2165 7.2165 7.7723 7.7723 7.8008 7.8008 k = 0.0000 0.0000 0.1598 ( 1991 PWs) bands (ev): -5.9804 -5.9804 -5.0274 -5.0274 -0.1373 -0.1373 3.1135 3.1135 3.6295 3.6295 4.0034 4.0034 4.3720 4.3720 4.7756 4.7756 6.0175 6.0175 7.1840 7.1840 7.8024 7.8024 7.8335 7.8335 k = 0.0000 0.0000 0.1731 ( 1991 PWs) bands (ev): -5.9527 -5.9527 -5.0761 -5.0761 -0.0277 -0.0277 2.9497 2.9497 3.6520 3.6520 4.0273 4.0273 4.3331 4.3331 4.7392 4.7392 6.0522 6.0522 7.1397 7.1397 7.8347 7.8347 7.8684 7.8684 k = 0.0000 0.0000 0.1865 ( 1991 PWs) bands (ev): -5.9229 -5.9229 -5.1258 -5.1258 0.0876 0.0876 2.7844 2.7844 3.6762 3.6762 4.0528 4.0528 4.2943 4.2943 4.7015 4.7015 6.0896 6.0896 7.0877 7.0877 7.8691 7.8691 7.9054 7.9054 k = 0.0000 0.0000 0.1998 ( 1991 PWs) bands (ev): -5.8911 -5.8911 -5.1762 -5.1762 0.2083 0.2083 2.6186 2.6186 3.7018 3.7018 4.0801 4.0801 4.2557 4.2557 4.6629 4.6629 6.1295 6.1295 7.0305 7.0305 7.9056 7.9056 7.9443 7.9443 k = 0.0000 0.0000 0.2131 ( 1985 PWs) bands (ev): -5.8573 -5.8573 -5.2270 -5.2270 0.3339 0.3339 2.4528 2.4528 3.7290 3.7290 4.1089 4.1089 4.2170 4.2170 4.6236 4.6236 6.1720 6.1720 6.9700 6.9700 7.9441 7.9441 7.9852 7.9852 k = 0.0000 0.0000 0.2264 ( 1985 PWs) bands (ev): -5.8217 -5.8217 -5.2779 -5.2779 0.4642 0.4642 2.2875 2.2875 3.7575 3.7575 4.1391 4.1391 4.1785 4.1785 4.5839 4.5839 6.2170 6.2170 6.9076 6.9076 7.9844 7.9844 8.0279 8.0279 k = 0.0000 0.0000 0.2397 ( 1985 PWs) bands (ev): -5.7842 -5.7842 -5.3286 -5.3286 0.5989 0.5989 2.1231 2.1231 3.7874 3.7874 4.1401 4.1401 4.1709 4.1709 4.5440 4.5440 6.2644 6.2644 6.8443 6.8443 8.0266 8.0266 8.0722 8.0722 k = 0.0000 0.0000 0.2531 ( 1984 PWs) bands (ev): -5.7449 -5.7449 -5.3789 -5.3789 0.7375 0.7375 1.9600 1.9600 3.8186 3.8186 4.1020 4.1020 4.2039 4.2039 4.5041 4.5041 6.3141 6.3141 6.7808 6.7808 8.0704 8.0704 8.1183 8.1183 k = 0.0000 0.0000 0.2664 ( 1978 PWs) bands (ev): -5.7040 -5.7040 -5.4286 -5.4286 0.8800 0.8800 1.7986 1.7986 3.8509 3.8509 4.0642 4.0642 4.2382 4.2382 4.4643 4.4643 6.3661 6.3661 6.7177 6.7177 8.1159 8.1159 8.1658 8.1658 k = 0.0000 0.0000 0.2797 ( 1954 PWs) bands (ev): -5.6614 -5.6614 -5.4773 -5.4773 1.0259 1.0259 1.6392 1.6392 3.8844 3.8844 4.0269 4.0269 4.2738 4.2738 4.4249 4.4249 6.4203 6.4203 6.6553 6.6553 8.1629 8.1629 8.2150 8.2150 k = 0.0000 0.0000 0.2930 ( 1954 PWs) bands (ev): -5.6174 -5.6174 -5.5252 -5.5252 1.1750 1.1750 1.4819 1.4819 3.9188 3.9188 3.9902 3.9902 4.3103 4.3103 4.3860 4.3860 6.4765 6.4765 6.5942 6.5942 8.2113 8.2113 8.2654 8.2654 k = 0.0000 0.0000 0.3063 ( 1966 PWs) bands (ev): -5.5719 -5.5719 -5.5719 -5.5719 1.3271 1.3271 1.3271 1.3271 3.9540 3.9540 3.9540 3.9540 4.3477 4.3477 4.3477 4.3477 6.5345 6.5345 6.5345 6.5345 8.2610 8.2610 8.2610 8.2610 k = 0.0000 0.0000 0.3063 ( 1966 PWs) bands (ev): -5.5719 -5.5719 -5.5719 -5.5719 1.3271 1.3271 1.3271 1.3271 3.9540 3.9540 3.9540 3.9540 4.3477 4.3477 4.3477 4.3477 6.5345 6.5345 6.5345 6.5345 8.2610 8.2610 8.2610 8.2610 k = 0.0116 0.0067 0.3063 ( 1968 PWs) bands (ev): -5.5709 -5.5709 -5.5708 -5.5708 1.3235 1.3235 1.3300 1.3300 3.9368 3.9368 3.9588 3.9588 4.3402 4.3402 4.3405 4.3405 6.5369 6.5369 6.5545 6.5545 8.2604 8.2604 8.2618 8.2618 k = 0.0233 0.0134 0.3063 ( 1972 PWs) bands (ev): -5.5677 -5.5677 -5.5676 -5.5676 1.3191 1.3191 1.3321 1.3321 3.9064 3.9064 3.9511 3.9511 4.3180 4.3180 4.3203 4.3203 6.5613 6.5613 6.5955 6.5955 8.2573 8.2573 8.2603 8.2603 k = 0.0349 0.0201 0.3063 ( 1976 PWs) bands (ev): -5.5623 -5.5623 -5.5622 -5.5622 1.3138 1.3138 1.3335 1.3335 3.8625 3.8625 3.9307 3.9307 4.2836 4.2836 4.2903 4.2903 6.6054 6.6054 6.6545 6.6545 8.2474 8.2474 8.2522 8.2522 k = 0.0465 0.0269 0.3063 ( 1982 PWs) bands (ev): -5.5548 -5.5548 -5.5546 -5.5546 1.3075 1.3075 1.3338 1.3338 3.8049 3.8049 3.8968 3.8968 4.2407 4.2407 4.2541 4.2541 6.6656 6.6656 6.7271 6.7271 8.2314 8.2314 8.2379 8.2379 k = 0.0581 0.0336 0.3063 ( 1986 PWs) bands (ev): -5.5452 -5.5452 -5.5449 -5.5449 1.2999 1.2999 1.3330 1.3330 3.7345 3.7345 3.8489 3.8489 4.1937 4.1937 4.2145 4.2145 6.7371 6.7371 6.8087 6.8087 8.2126 8.2126 8.2210 8.2210 k = 0.0698 0.0403 0.3063 ( 1986 PWs) bands (ev): -5.5334 -5.5334 -5.5331 -5.5331 1.2907 1.2907 1.3308 1.3308 3.6530 3.6530 3.7873 3.7873 4.1460 4.1460 4.1733 4.1733 6.8147 6.8147 6.8937 6.8937 8.1950 8.1950 8.2058 8.2058 k = 0.0814 0.0470 0.3063 ( 1986 PWs) bands (ev): -5.5196 -5.5196 -5.5192 -5.5192 1.2795 1.2795 1.3266 1.3266 3.5628 3.5628 3.7136 3.7136 4.0995 4.0995 4.1313 4.1313 6.8926 6.8926 6.9764 6.9764 8.1827 8.1827 8.1970 8.1970 k = 0.0930 0.0537 0.3063 ( 1986 PWs) bands (ev): -5.5036 -5.5036 -5.5032 -5.5032 1.2659 1.2659 1.3201 1.3201 3.4668 3.4668 3.6309 3.6309 4.0544 4.0544 4.0888 4.0888 6.9648 6.9648 7.0504 7.0504 8.1802 8.1802 8.1997 8.1997 k = 0.1047 0.0604 0.3063 ( 1992 PWs) bands (ev): -5.4857 -5.4857 -5.4851 -5.4851 1.2494 1.2494 1.3107 1.3107 3.3676 3.3676 3.5424 3.5424 4.0103 4.0103 4.0459 4.0459 7.0253 7.0253 7.1095 7.1095 8.1922 8.1922 8.2188 8.2188 k = 0.1163 0.0671 0.3063 ( 1996 PWs) bands (ev): -5.4656 -5.4656 -5.4651 -5.4651 1.2294 1.2294 1.2976 1.2976 3.2676 3.2676 3.4512 3.4512 3.9667 3.9667 4.0024 4.0024 7.0691 7.0691 7.1492 7.1492 8.2220 8.2220 8.2578 8.2578 k = 0.1279 0.0738 0.3063 ( 1992 PWs) bands (ev): -5.4436 -5.4436 -5.4430 -5.4430 1.2052 1.2052 1.2800 1.2800 3.1693 3.1693 3.3602 3.3602 3.9231 3.9231 3.9584 3.9584 7.0935 7.0935 7.1676 7.1676 8.2707 8.2707 8.3169 8.3169 k = 0.1395 0.0806 0.3063 ( 1992 PWs) bands (ev): -5.4197 -5.4197 -5.4190 -5.4190 1.1762 1.1762 1.2572 1.2572 3.0747 3.0747 3.2714 3.2714 3.8794 3.8794 3.9139 3.9139 7.0986 7.0986 7.1660 7.1660 8.3358 8.3358 8.3927 8.3927 k = 0.1512 0.0873 0.3063 ( 1996 PWs) bands (ev): -5.3938 -5.3938 -5.3931 -5.3931 1.1418 1.1418 1.2281 1.2281 2.9857 2.9857 3.1870 3.1870 3.8355 3.8355 3.8691 3.8691 7.0869 7.0869 7.1479 7.1479 8.4120 8.4120 8.4786 8.4786 k = 0.1628 0.0940 0.3063 ( 1996 PWs) bands (ev): -5.3661 -5.3661 -5.3654 -5.3654 1.1013 1.1013 1.1918 1.1918 2.9039 2.9039 3.1083 3.1083 3.7914 3.7914 3.8241 3.8241 7.0619 7.0619 7.1173 7.1173 8.4913 8.4913 8.5658 8.5658 k = 0.1744 0.1007 0.3063 ( 1996 PWs) bands (ev): -5.3366 -5.3366 -5.3359 -5.3359 1.0544 1.0544 1.1477 1.1477 2.8307 2.8307 3.0366 3.0366 3.7472 3.7472 3.7790 3.7790 7.0270 7.0270 7.0778 7.0778 8.5644 8.5644 8.6444 8.6444 k = 0.1860 0.1074 0.3063 ( 1996 PWs) bands (ev): -5.3054 -5.3054 -5.3046 -5.3046 1.0006 1.0006 1.0954 1.0954 2.7670 2.7670 2.9728 2.9728 3.7032 3.7032 3.7341 3.7341 6.9852 6.9852 7.0322 7.0322 8.6210 8.6210 8.7033 8.7033 k = 0.1977 0.1141 0.3063 ( 1992 PWs) bands (ev): -5.2725 -5.2725 -5.2718 -5.2718 0.9401 0.9401 1.0346 1.0346 2.7135 2.7135 2.9174 2.9174 3.6594 3.6594 3.6896 3.6896 6.9388 6.9388 6.9827 6.9827 8.6522 8.6522 8.7333 8.7333 k = 0.2093 0.1208 0.3063 ( 2000 PWs) bands (ev): -5.2381 -5.2381 -5.2373 -5.2373 0.8729 0.8729 0.9656 0.9656 2.6702 2.6702 2.8705 2.8705 3.6162 3.6162 3.6457 3.6457 6.8896 6.8896 6.9309 6.9309 8.6531 8.6531 8.7301 8.7301 k = 0.2209 0.1276 0.3063 ( 2000 PWs) bands (ev): -5.2022 -5.2022 -5.2014 -5.2014 0.7994 0.7994 0.8891 0.8891 2.6367 2.6367 2.8321 2.8321 3.5736 3.5736 3.6025 3.6025 6.8387 6.8387 6.8780 6.8780 8.6252 8.6252 8.6968 8.6968 k = 0.2326 0.1343 0.3063 ( 2004 PWs) bands (ev): -5.1649 -5.1649 -5.1641 -5.1641 0.7204 0.7204 0.8059 0.8059 2.6125 2.6125 2.8019 2.8019 3.5318 3.5318 3.5602 3.5602 6.7873 6.7873 6.8248 6.8248 8.5739 8.5739 8.6401 8.6401 k = 0.2442 0.1410 0.3063 ( 2002 PWs) bands (ev): -5.1263 -5.1263 -5.1255 -5.1255 0.6365 0.6365 0.7171 0.7171 2.5966 2.5966 2.7791 2.7791 3.4912 3.4912 3.5190 3.5190 6.7360 6.7360 6.7720 6.7720 8.5060 8.5060 8.5671 8.5671 k = 0.2558 0.1477 0.3063 ( 2002 PWs) bands (ev): -5.0866 -5.0866 -5.0858 -5.0858 0.5487 0.5487 0.6240 0.6240 2.5881 2.5881 2.7631 2.7631 3.4517 3.4517 3.4791 3.4791 6.6854 6.6854 6.7202 6.7202 8.4270 8.4270 8.4837 8.4837 k = 0.2674 0.1544 0.3063 ( 2010 PWs) bands (ev): -5.0459 -5.0459 -5.0451 -5.0451 0.4579 0.4579 0.5276 0.5276 2.5858 2.5858 2.7532 2.7532 3.4137 3.4137 3.4406 3.4406 6.6360 6.6360 6.6696 6.6696 8.3409 8.3409 8.3937 8.3937 k = 0.2791 0.1611 0.3063 ( 2018 PWs) bands (ev): -5.0044 -5.0044 -5.0036 -5.0036 0.3650 0.3650 0.4291 0.4291 2.5889 2.5889 2.7484 2.7484 3.3772 3.3772 3.4038 3.4038 6.5881 6.5881 6.6207 6.6207 8.2508 8.2508 8.3001 8.3001 k = 0.2907 0.1678 0.3063 ( 2018 PWs) bands (ev): -4.9622 -4.9622 -4.9614 -4.9614 0.2708 0.2708 0.3295 0.3295 2.5964 2.5964 2.7480 2.7480 3.3425 3.3425 3.3686 3.3686 6.5420 6.5420 6.5736 6.5736 8.1587 8.1587 8.2048 8.2048 k = 0.3023 0.1745 0.3063 ( 2012 PWs) bands (ev): -4.9195 -4.9195 -4.9188 -4.9188 0.1763 0.1763 0.2298 0.2298 2.6074 2.6074 2.7512 2.7512 3.3097 3.3097 3.3354 3.3354 6.4979 6.4979 6.5286 6.5286 8.0663 8.0663 8.1094 8.1094 k = 0.3140 0.1813 0.3063 ( 2016 PWs) bands (ev): -4.8765 -4.8765 -4.8759 -4.8759 0.0822 0.0822 0.1308 0.1308 2.6211 2.6211 2.7572 2.7572 3.2790 3.2790 3.3042 3.3042 6.4561 6.4561 6.4858 6.4858 7.9746 7.9746 8.0149 8.0149 k = 0.3256 0.1880 0.3063 ( 2016 PWs) bands (ev): -4.8336 -4.8336 -4.8330 -4.8330 -0.0107 -0.0107 0.0334 0.0334 2.6369 2.6369 2.7652 2.7652 3.2507 3.2507 3.2752 3.2752 6.4166 6.4166 6.4454 6.4454 7.8847 7.8847 7.9222 7.9222 k = 0.3372 0.1947 0.3063 ( 2012 PWs) bands (ev): -4.7909 -4.7909 -4.7903 -4.7903 -0.1016 -0.1016 -0.0619 -0.0619 2.6540 2.6540 2.7745 2.7745 3.2248 3.2248 3.2486 3.2486 6.3797 6.3797 6.4075 6.4075 7.7971 7.7971 7.8320 7.8320 k = 0.3488 0.2014 0.3063 ( 2010 PWs) bands (ev): -4.7487 -4.7487 -4.7482 -4.7482 -0.1900 -0.1900 -0.1543 -0.1543 2.6719 2.6719 2.7845 2.7845 3.2017 3.2017 3.2244 3.2244 6.3453 6.3453 6.3721 6.3721 7.7127 7.7127 7.7450 7.7450 k = 0.3605 0.2081 0.3063 ( 2016 PWs) bands (ev): -4.7074 -4.7074 -4.7070 -4.7070 -0.2751 -0.2751 -0.2431 -0.2431 2.6899 2.6899 2.7944 2.7944 3.1815 3.1815 3.2029 3.2029 6.3136 6.3136 6.3392 6.3392 7.6321 7.6321 7.6617 7.6617 k = 0.3721 0.2148 0.3063 ( 2024 PWs) bands (ev): -4.6673 -4.6673 -4.6669 -4.6669 -0.3562 -0.3562 -0.3278 -0.3278 2.7076 2.7076 2.8036 2.8036 3.1644 3.1644 3.1841 3.1841 6.2846 6.2846 6.3090 6.3090 7.5556 7.5556 7.5826 7.5826 k = 0.3837 0.2215 0.3063 ( 2024 PWs) bands (ev): -4.6287 -4.6287 -4.6284 -4.6284 -0.4329 -0.4329 -0.4077 -0.4077 2.7244 2.7244 2.8116 2.8116 3.1505 3.1505 3.1681 3.1681 6.2584 6.2584 6.2814 6.2814 7.4838 7.4838 7.5083 7.5083 k = 0.3953 0.2283 0.3063 ( 2020 PWs) bands (ev): -4.5920 -4.5920 -4.5917 -4.5917 -0.5045 -0.5045 -0.4824 -0.4824 2.7400 2.7400 2.8181 2.8181 3.1397 3.1397 3.1549 3.1549 6.2351 6.2351 6.2565 6.2565 7.4173 7.4173 7.4392 7.4392 k = 0.4070 0.2350 0.3063 ( 2032 PWs) bands (ev): -4.5577 -4.5577 -4.5575 -4.5575 -0.5704 -0.5704 -0.5512 -0.5512 2.7540 2.7540 2.8227 2.8227 3.1320 3.1320 3.1446 3.1446 6.2145 6.2145 6.2342 6.2342 7.3564 7.3564 7.3757 7.3757 k = 0.4186 0.2417 0.3063 ( 2028 PWs) bands (ev): -4.5261 -4.5261 -4.5259 -4.5259 -0.6301 -0.6301 -0.6135 -0.6135 2.7663 2.7663 2.8254 2.8254 3.1271 3.1271 3.1369 3.1369 6.1967 6.1967 6.2145 6.2145 7.3015 7.3015 7.3184 7.3184 k = 0.4302 0.2484 0.3063 ( 2032 PWs) bands (ev): -4.4977 -4.4977 -4.4976 -4.4976 -0.6829 -0.6829 -0.6690 -0.6690 2.7767 2.7767 2.8265 2.8265 3.1244 3.1244 3.1316 3.1316 6.1816 6.1816 6.1974 6.1974 7.2532 7.2532 7.2675 7.2675 k = 0.4419 0.2551 0.3063 ( 2028 PWs) bands (ev): -4.4728 -4.4728 -4.4727 -4.4727 -0.7285 -0.7285 -0.7170 -0.7170 2.7856 2.7856 2.8261 2.8261 3.1234 3.1234 3.1283 3.1283 6.1693 6.1693 6.1828 6.1828 7.2117 7.2117 7.2235 7.2235 k = 0.4535 0.2618 0.3063 ( 2036 PWs) bands (ev): -4.4519 -4.4519 -4.4518 -4.4518 -0.7663 -0.7663 -0.7572 -0.7572 2.7928 2.7928 2.8245 2.8245 3.1234 3.1234 3.1265 3.1265 6.1596 6.1596 6.1706 6.1706 7.1774 7.1774 7.1868 7.1868 k = 0.4651 0.2685 0.3063 ( 2036 PWs) bands (ev): -4.4352 -4.4352 -4.4351 -4.4351 -0.7959 -0.7959 -0.7891 -0.7891 2.7989 2.7989 2.8222 2.8222 3.1241 3.1241 3.1258 3.1258 6.1524 6.1524 6.1609 6.1609 7.1506 7.1506 7.1576 7.1576 k = 0.4767 0.2752 0.3063 ( 2032 PWs) bands (ev): -4.4231 -4.4231 -4.4230 -4.4230 -0.8170 -0.8170 -0.8125 -0.8125 2.8040 2.8040 2.8193 2.8193 3.1248 3.1248 3.1257 3.1257 6.1478 6.1478 6.1536 6.1536 7.1316 7.1316 7.1363 7.1363 k = 0.4884 0.2820 0.3063 ( 2028 PWs) bands (ev): -4.4157 -4.4157 -4.4157 -4.4157 -0.8293 -0.8293 -0.8271 -0.8271 2.8085 2.8085 2.8160 2.8160 3.1255 3.1255 3.1258 3.1258 6.1457 6.1457 6.1486 6.1486 7.1206 7.1206 7.1229 7.1229 k = 0.5000 0.2887 0.3063 ( 2028 PWs) bands (ev): -4.4132 -4.4132 -4.4132 -4.4132 -0.8327 -0.8327 -0.8327 -0.8327 2.8124 2.8124 2.8124 2.8124 3.1258 3.1258 3.1258 3.1258 6.1460 6.1460 6.1460 6.1460 7.1177 7.1177 7.1177 7.1177 k = 0.5000 0.2887 0.3063 ( 2028 PWs) bands (ev): -4.4132 -4.4132 -4.4132 -4.4132 -0.8327 -0.8327 -0.8327 -0.8327 2.8124 2.8124 2.8124 2.8124 3.1258 3.1258 3.1258 3.1258 6.1460 6.1460 6.1460 6.1460 7.1177 7.1177 7.1177 7.1177 k = 0.4933 0.3002 0.3063 ( 2028 PWs) bands (ev): -4.4126 -4.4126 -4.4125 -4.4125 -0.8348 -0.8348 -0.8297 -0.8297 2.7733 2.7733 2.8376 2.8376 3.0951 3.0951 3.1563 3.1563 6.1492 6.1492 6.1587 6.1587 7.1183 7.1183 7.1255 7.1255 k = 0.4867 0.3118 0.3063 ( 2030 PWs) bands (ev): -4.4108 -4.4108 -4.4107 -4.4107 -0.8361 -0.8361 -0.8258 -0.8258 2.7234 2.7234 2.8428 2.8428 3.0708 3.0708 3.1836 3.1836 6.1679 6.1679 6.1864 6.1864 7.1274 7.1274 7.1420 7.1420 k = 0.4800 0.3233 0.3063 ( 2034 PWs) bands (ev): -4.4078 -4.4078 -4.4075 -4.4075 -0.8365 -0.8365 -0.8212 -0.8212 2.6645 2.6645 2.8219 2.8219 3.0602 3.0602 3.2068 3.2068 6.2009 6.2009 6.2272 6.2272 7.1457 7.1457 7.1682 7.1682 k = 0.4733 0.3349 0.3063 ( 2030 PWs) bands (ev): -4.4035 -4.4035 -4.4032 -4.4032 -0.8362 -0.8362 -0.8156 -0.8156 2.5975 2.5975 2.7760 2.7760 3.0636 3.0636 3.2261 3.2261 6.2454 6.2454 6.2783 6.2783 7.1743 7.1743 7.2052 7.2052 k = 0.4667 0.3464 0.3063 ( 2030 PWs) bands (ev): -4.3981 -4.3981 -4.3978 -4.3978 -0.8353 -0.8353 -0.8094 -0.8094 2.5236 2.5236 2.7127 2.7127 3.0753 3.0753 3.2422 3.2422 6.2983 6.2983 6.3360 6.3360 7.2148 7.2148 7.2548 7.2548 k = 0.4600 0.3580 0.3063 ( 2028 PWs) bands (ev): -4.3916 -4.3916 -4.3912 -4.3912 -0.8337 -0.8337 -0.8024 -0.8024 2.4439 2.4439 2.6384 2.6384 3.0906 3.0906 3.2560 3.2560 6.3556 6.3556 6.3966 6.3966 7.2692 7.2692 7.3188 7.3188 k = 0.4533 0.3695 0.3063 ( 2020 PWs) bands (ev): -4.3840 -4.3840 -4.3835 -4.3835 -0.8316 -0.8316 -0.7948 -0.7948 2.3595 2.3595 2.5572 2.5572 3.1073 3.1073 3.2681 3.2681 6.4136 6.4136 6.4563 6.4563 7.3393 7.3393 7.3988 7.3988 k = 0.4467 0.3811 0.3063 ( 2016 PWs) bands (ev): -4.3755 -4.3755 -4.3749 -4.3749 -0.8291 -0.8291 -0.7867 -0.7867 2.2717 2.2717 2.4719 2.4719 3.1245 3.1245 3.2792 3.2792 6.4689 6.4689 6.5122 6.5122 7.4267 7.4267 7.4955 7.4955 k = 0.4400 0.3926 0.3063 ( 2016 PWs) bands (ev): -4.3660 -4.3660 -4.3654 -4.3654 -0.8264 -0.8264 -0.7783 -0.7783 2.1819 2.1819 2.3843 2.3843 3.1416 3.1416 3.2897 3.2897 6.5194 6.5194 6.5623 6.5623 7.5316 7.5316 7.6091 7.6091 k = 0.4333 0.4041 0.3063 ( 2016 PWs) bands (ev): -4.3558 -4.3558 -4.3551 -4.3551 -0.8236 -0.8236 -0.7696 -0.7696 2.0912 2.0912 2.2962 2.2962 3.1586 3.1586 3.3000 3.3000 6.5639 6.5639 6.6058 6.6058 7.6535 7.6535 7.7385 7.7385 k = 0.4267 0.4157 0.3063 ( 2012 PWs) bands (ev): -4.3449 -4.3449 -4.3441 -4.3441 -0.8208 -0.8208 -0.7608 -0.7608 2.0010 2.0010 2.2088 2.2088 3.1754 3.1754 3.3102 3.3102 6.6023 6.6023 6.6429 6.6429 7.7905 7.7905 7.8817 7.8817 k = 0.4200 0.4272 0.3063 ( 2008 PWs) bands (ev): -4.3334 -4.3334 -4.3325 -4.3325 -0.8182 -0.8182 -0.7522 -0.7522 1.9123 1.9123 2.1233 2.1233 3.1919 3.1919 3.3205 3.3205 6.6350 6.6350 6.6741 6.6741 7.9402 7.9402 8.0363 8.0363 k = 0.4133 0.4388 0.3063 ( 2004 PWs) bands (ev): -4.3214 -4.3214 -4.3205 -4.3205 -0.8159 -0.8159 -0.7439 -0.7439 1.8262 1.8262 2.0407 2.0407 3.2081 3.2081 3.3308 3.3308 6.6626 6.6626 6.7003 6.7003 8.0995 8.0995 8.1993 8.1993 k = 0.4067 0.4503 0.3063 ( 2014 PWs) bands (ev): -4.3092 -4.3092 -4.3083 -4.3083 -0.8141 -0.8141 -0.7361 -0.7361 1.7436 1.7436 1.9620 1.9620 3.2238 3.2238 3.3412 3.3412 6.6858 6.6858 6.7221 6.7221 8.2643 8.2643 8.3663 8.3663 k = 0.4000 0.4619 0.3063 ( 2018 PWs) bands (ev): -4.2969 -4.2969 -4.2959 -4.2959 -0.8129 -0.8129 -0.7290 -0.7290 1.6656 1.6656 1.8879 1.8879 3.2391 3.2391 3.3516 3.3516 6.7051 6.7051 6.7402 6.7402 8.4287 8.4287 8.5303 8.5303 k = 0.3933 0.4734 0.3063 ( 2018 PWs) bands (ev): -4.2847 -4.2847 -4.2836 -4.2836 -0.8124 -0.8124 -0.7228 -0.7228 1.5929 1.5929 1.8192 1.8192 3.2538 3.2538 3.3618 3.3618 6.7210 6.7210 6.7550 6.7550 8.5807 8.5807 8.6776 8.6776 k = 0.3867 0.4850 0.3063 ( 2022 PWs) bands (ev): -4.2728 -4.2728 -4.2716 -4.2716 -0.8127 -0.8127 -0.7177 -0.7177 1.5262 1.5262 1.7566 1.7566 3.2677 3.2677 3.3717 3.3717 6.7337 6.7337 6.7668 6.7668 8.6970 8.6970 8.7862 8.7862 k = 0.3800 0.4965 0.3063 ( 2022 PWs) bands (ev): -4.2613 -4.2613 -4.2600 -4.2600 -0.8137 -0.8137 -0.7137 -0.7137 1.4663 1.4663 1.7005 1.7005 3.2807 3.2807 3.3812 3.3812 6.7436 6.7436 6.7759 6.7759 8.7524 8.7524 8.8410 8.8410 k = 0.3733 0.5081 0.3063 ( 2018 PWs) bands (ev): -4.2506 -4.2506 -4.2492 -4.2492 -0.8155 -0.8155 -0.7109 -0.7109 1.4137 1.4137 1.6514 1.6514 3.2926 3.2926 3.3901 3.3901 6.7510 6.7510 6.7826 6.7826 8.7584 8.7584 8.8510 8.8510 k = 0.3667 0.5196 0.3063 ( 2016 PWs) bands (ev): -4.2408 -4.2408 -4.2394 -4.2394 -0.8179 -0.8179 -0.7093 -0.7093 1.3689 1.3689 1.6097 1.6097 3.3032 3.3032 3.3982 3.3982 6.7562 6.7562 6.7872 6.7872 8.7432 8.7432 8.8384 8.8384 k = 0.3600 0.5312 0.3063 ( 2024 PWs) bands (ev): -4.2322 -4.2322 -4.2308 -4.2308 -0.8206 -0.8206 -0.7087 -0.7087 1.3321 1.3321 1.5755 1.5755 3.3124 3.3124 3.4053 3.4053 6.7594 6.7594 6.7898 6.7898 8.7228 8.7228 8.8191 8.8191 k = 0.3533 0.5427 0.3063 ( 2026 PWs) bands (ev): -4.2251 -4.2251 -4.2236 -4.2236 -0.8235 -0.8235 -0.7090 -0.7090 1.3035 1.3035 1.5490 1.5490 3.3198 3.3198 3.4111 3.4111 6.7611 6.7611 6.7910 6.7910 8.7037 8.7037 8.8006 8.8006 k = 0.3467 0.5543 0.3063 ( 2026 PWs) bands (ev): -4.2198 -4.2198 -4.2182 -4.2182 -0.8261 -0.8261 -0.7098 -0.7098 1.2833 1.2833 1.5302 1.5302 3.3254 3.3254 3.4156 3.4156 6.7617 6.7617 6.7912 6.7912 8.6890 8.6890 8.7862 8.7862 k = 0.3400 0.5658 0.3063 ( 2022 PWs) bands (ev): -4.2164 -4.2164 -4.2148 -4.2148 -0.8281 -0.8281 -0.7107 -0.7107 1.2713 1.2713 1.5190 1.5190 3.3289 3.3289 3.4184 3.4184 6.7617 6.7617 6.7909 6.7909 8.6799 8.6799 8.7773 8.7773 k = 0.3333 0.5774 0.3063 ( 2022 PWs) bands (ev): -4.2152 -4.2152 -4.2136 -4.2136 -0.8288 -0.8288 -0.7111 -0.7111 1.2674 1.2674 1.5154 1.5154 3.3301 3.3301 3.4193 3.4193 6.7616 6.7616 6.7907 6.7907 8.6769 8.6769 8.7744 8.7744 k = 0.3333 0.5774 0.3063 ( 2022 PWs) bands (ev): -4.2152 -4.2152 -4.2136 -4.2136 -0.8288 -0.8288 -0.7111 -0.7111 1.2674 1.2674 1.5154 1.5154 3.3301 3.3301 3.4193 3.4193 6.7616 6.7616 6.7907 6.7907 8.6769 8.6769 8.7744 8.7744 k = 0.3265 0.5656 0.3063 ( 2024 PWs) bands (ev): -4.2165 -4.2165 -4.2149 -4.2149 -0.8278 -0.8278 -0.7104 -0.7104 1.2714 1.2714 1.5191 1.5191 3.3288 3.3288 3.4183 3.4183 6.7619 6.7619 6.7912 6.7912 8.6800 8.6800 8.7774 8.7774 k = 0.3197 0.5538 0.3063 ( 2026 PWs) bands (ev): -4.2206 -4.2206 -4.2190 -4.2190 -0.8245 -0.8245 -0.7081 -0.7081 1.2831 1.2831 1.5301 1.5301 3.3248 3.3248 3.4149 3.4149 6.7633 6.7633 6.7930 6.7930 8.6891 8.6891 8.7863 8.7863 k = 0.3129 0.5420 0.3063 ( 2026 PWs) bands (ev): -4.2276 -4.2276 -4.2261 -4.2261 -0.8184 -0.8184 -0.7034 -0.7034 1.3020 1.3020 1.5479 1.5479 3.3180 3.3180 3.4092 3.4092 6.7663 6.7663 6.7969 6.7969 8.7037 8.7037 8.8005 8.8005 k = 0.3061 0.5302 0.3063 ( 2030 PWs) bands (ev): -4.2377 -4.2377 -4.2362 -4.2362 -0.8088 -0.8088 -0.6957 -0.6957 1.3277 1.3277 1.5723 1.5723 3.3084 3.3084 3.4010 3.4010 6.7715 6.7715 6.8035 6.8035 8.7232 8.7232 8.8192 8.8192 k = 0.2993 0.5184 0.3063 ( 2018 PWs) bands (ev): -4.2510 -4.2510 -4.2496 -4.2496 -0.7954 -0.7954 -0.6845 -0.6845 1.3597 1.3597 1.6028 1.6028 3.2959 3.2959 3.3903 3.3903 6.7794 6.7794 6.8131 6.8131 8.7467 8.7467 8.8415 8.8415 k = 0.2925 0.5067 0.3063 ( 2010 PWs) bands (ev): -4.2675 -4.2675 -4.2662 -4.2662 -0.7777 -0.7777 -0.6692 -0.6692 1.3975 1.3975 1.6391 1.6391 3.2806 3.2806 3.3771 3.3771 6.7904 6.7904 6.8263 6.8263 8.7733 8.7733 8.8661 8.8661 k = 0.2857 0.4949 0.3063 ( 2014 PWs) bands (ev): -4.2873 -4.2873 -4.2861 -4.2861 -0.7554 -0.7554 -0.6494 -0.6494 1.4406 1.4406 1.6806 1.6806 3.2625 3.2625 3.3613 3.3613 6.8048 6.8048 6.8433 6.8433 8.8017 8.8017 8.8914 8.8914 k = 0.2789 0.4831 0.3063 ( 2010 PWs) bands (ev): -4.3103 -4.3103 -4.3092 -4.3092 -0.7283 -0.7283 -0.6249 -0.6249 1.4886 1.4886 1.7272 1.7272 3.2419 3.2419 3.3432 3.3432 6.8230 6.8230 6.8643 6.8643 8.8306 8.8306 8.9154 8.9154 k = 0.2721 0.4713 0.3063 ( 2014 PWs) bands (ev): -4.3363 -4.3363 -4.3353 -4.3353 -0.6960 -0.6960 -0.5953 -0.5953 1.5410 1.5410 1.7783 1.7783 3.2188 3.2188 3.3229 3.3229 6.8449 6.8449 6.8895 6.8895 8.8581 8.8581 8.9352 8.9352 k = 0.2653 0.4595 0.3063 ( 2010 PWs) bands (ev): -4.3653 -4.3653 -4.3644 -4.3644 -0.6587 -0.6587 -0.5605 -0.5605 1.5974 1.5974 1.8336 1.8336 3.1936 3.1936 3.3005 3.3005 6.8708 6.8708 6.9187 6.9187 8.8817 8.8817 8.9474 8.9474 k = 0.2585 0.4477 0.3063 ( 2014 PWs) bands (ev): -4.3971 -4.3971 -4.3962 -4.3962 -0.6162 -0.6162 -0.5205 -0.5205 1.6575 1.6575 1.8929 1.8929 3.1664 3.1664 3.2764 3.2764 6.9005 6.9005 6.9520 6.9520 8.8981 8.8981 8.9480 8.9480 k = 0.2517 0.4360 0.3063 ( 2022 PWs) bands (ev): -4.4314 -4.4314 -4.4305 -4.4305 -0.5686 -0.5686 -0.4752 -0.4752 1.7207 1.7207 1.9556 1.9556 3.1378 3.1378 3.2508 3.2508 6.9338 6.9338 6.9891 6.9891 8.9020 8.9020 8.9358 8.9358 k = 0.2449 0.4242 0.3063 ( 2022 PWs) bands (ev): -4.4679 -4.4679 -4.4671 -4.4671 -0.5160 -0.5160 -0.4248 -0.4248 1.7867 1.7867 2.0216 2.0216 3.1079 3.1079 3.2241 3.2241 6.9704 6.9704 7.0299 7.0299 8.8843 8.8843 8.9160 8.9160 k = 0.2381 0.4124 0.3063 ( 2026 PWs) bands (ev): -4.5065 -4.5065 -4.5057 -4.5057 -0.4586 -0.4586 -0.3694 -0.3694 1.8552 1.8552 2.0905 2.0905 3.0772 3.0772 3.1967 3.1967 7.0101 7.0101 7.0738 7.0738 8.8443 8.8443 8.8903 8.8903 k = 0.2313 0.4006 0.3063 ( 2030 PWs) bands (ev): -4.5469 -4.5469 -4.5461 -4.5461 -0.3966 -0.3966 -0.3092 -0.3092 1.9257 1.9257 2.1619 2.1619 3.0462 3.0462 3.1691 3.1691 7.0522 7.0522 7.1205 7.1205 8.7925 8.7925 8.8536 8.8536 k = 0.2245 0.3888 0.3063 ( 2042 PWs) bands (ev): -4.5887 -4.5887 -4.5879 -4.5879 -0.3303 -0.3303 -0.2445 -0.2445 1.9978 1.9978 2.2355 2.2355 3.0154 3.0154 3.1416 3.1416 7.0962 7.0962 7.1695 7.1695 8.7351 8.7351 8.8065 8.8065 k = 0.2177 0.3770 0.3063 ( 2038 PWs) bands (ev): -4.6317 -4.6317 -4.6309 -4.6309 -0.2599 -0.2599 -0.1754 -0.1754 2.0709 2.0709 2.3110 2.3110 2.9854 2.9854 3.1149 3.1149 7.1415 7.1415 7.2202 7.2202 8.6756 8.6756 8.7524 8.7524 k = 0.2109 0.3653 0.3063 ( 2034 PWs) bands (ev): -4.6756 -4.6756 -4.6748 -4.6748 -0.1859 -0.1859 -0.1024 -0.1024 2.1445 2.1445 2.3877 2.3877 2.9569 2.9569 3.0897 3.0897 7.1872 7.1872 7.2719 7.2719 8.6161 8.6161 8.6944 8.6944 k = 0.2041 0.3535 0.3063 ( 2036 PWs) bands (ev): -4.7202 -4.7202 -4.7194 -4.7194 -0.1085 -0.1085 -0.0258 -0.0258 2.2177 2.2177 2.4652 2.4652 2.9310 2.9310 3.0666 3.0666 7.2325 7.2325 7.3238 7.3238 8.5579 8.5579 8.6348 8.6348 k = 0.1973 0.3417 0.3063 ( 2032 PWs) bands (ev): -4.7652 -4.7652 -4.7643 -4.7643 -0.0283 -0.0283 0.0541 0.0541 2.2897 2.2897 2.5423 2.5423 2.9091 2.9091 3.0466 3.0466 7.2765 7.2765 7.3751 7.3751 8.5017 8.5017 8.5750 8.5750 k = 0.1905 0.3299 0.3063 ( 2028 PWs) bands (ev): -4.8103 -4.8103 -4.8095 -4.8095 0.0543 0.0543 0.1367 0.1367 2.3588 2.3588 2.6172 2.6172 2.8937 2.8937 3.0310 3.0310 7.3180 7.3180 7.4248 7.4248 8.4481 8.4481 8.5159 8.5159 k = 0.1837 0.3181 0.3063 ( 2020 PWs) bands (ev): -4.8554 -4.8554 -4.8546 -4.8546 0.1388 0.1388 0.2216 0.2216 2.4234 2.4234 2.6856 2.6856 2.8898 2.8898 3.0214 3.0214 7.3562 7.3562 7.4719 7.4719 8.3972 8.3972 8.4583 8.4583 k = 0.1769 0.3063 0.3063 ( 2024 PWs) bands (ev): -4.9003 -4.9003 -4.8994 -4.8994 0.2246 0.2246 0.3083 0.3083 2.4808 2.4808 2.7392 2.7392 2.9064 2.9064 3.0202 3.0202 7.3900 7.3900 7.5155 7.5155 8.3490 8.3490 8.4025 8.4025 k = 0.1701 0.2946 0.3063 ( 2016 PWs) bands (ev): -4.9447 -4.9447 -4.9438 -4.9438 0.3111 0.3111 0.3961 0.3961 2.5286 2.5286 2.7715 2.7715 2.9501 2.9501 3.0304 3.0304 7.4188 7.4188 7.5547 7.5547 8.3034 8.3034 8.3488 8.3488 k = 0.1633 0.2828 0.3063 ( 2008 PWs) bands (ev): -4.9884 -4.9884 -4.9875 -4.9875 0.3977 0.3977 0.4843 0.4843 2.5653 2.5653 2.7901 2.7901 3.0107 3.0107 3.0566 3.0566 7.4421 7.4421 7.5887 7.5887 8.2602 8.2602 8.2974 8.2974 k = 0.1565 0.2710 0.3063 ( 2004 PWs) bands (ev): -5.0314 -5.0314 -5.0305 -5.0305 0.4836 0.4836 0.5721 0.5721 2.5918 2.5918 2.8050 2.8050 3.0695 3.0695 3.1077 3.1077 7.4595 7.4595 7.6169 7.6169 8.2193 8.2193 8.2485 8.2485 k = 0.1497 0.2592 0.3063 ( 2008 PWs) bands (ev): -5.0734 -5.0734 -5.0725 -5.0725 0.5680 0.5680 0.6587 0.6587 2.6120 2.6120 2.8204 2.8204 3.1238 3.1238 3.1791 3.1791 7.4712 7.4712 7.6388 7.6388 8.1806 8.1806 8.2027 8.2027 k = 0.1429 0.2474 0.3063 ( 2000 PWs) bands (ev): -5.1143 -5.1143 -5.1134 -5.1134 0.6501 0.6501 0.7431 0.7431 2.6301 2.6301 2.8382 2.8382 3.1832 3.1832 3.2560 3.2560 7.4772 7.4772 7.6541 7.6541 8.1440 8.1440 8.1603 8.1603 k = 0.1361 0.2357 0.3063 ( 2004 PWs) bands (ev): -5.1540 -5.1540 -5.1531 -5.1531 0.7291 0.7291 0.8242 0.8242 2.6499 2.6499 2.8600 2.8600 3.2478 3.2478 3.3339 3.3339 7.4779 7.4779 7.6622 7.6622 8.1099 8.1099 8.1223 8.1223 k = 0.1293 0.2239 0.3063 ( 2002 PWs) bands (ev): -5.1924 -5.1924 -5.1915 -5.1915 0.8041 0.8041 0.9010 0.9010 2.6744 2.6744 2.8873 2.8873 3.3159 3.3159 3.4112 3.4112 7.4733 7.4733 7.6627 7.6627 8.0792 8.0792 8.0891 8.0891 k = 0.1224 0.2121 0.3063 ( 2002 PWs) bands (ev): -5.2293 -5.2293 -5.2284 -5.2284 0.8743 0.8743 0.9724 0.9724 2.7056 2.7056 2.9211 2.9211 3.3857 3.3857 3.4870 3.4870 7.4636 7.4636 7.6548 7.6548 8.0534 8.0534 8.0610 8.0610 k = 0.1156 0.2003 0.3063 ( 1998 PWs) bands (ev): -5.2646 -5.2646 -5.2638 -5.2638 0.9392 0.9392 1.0376 1.0376 2.7450 2.7450 2.9625 2.9625 3.4561 3.4561 3.5608 3.5608 7.4483 7.4483 7.6378 7.6378 8.0336 8.0336 8.0388 8.0388 k = 0.1088 0.1885 0.3063 ( 2006 PWs) bands (ev): -5.2984 -5.2984 -5.2976 -5.2976 0.9982 0.9982 1.0958 1.0958 2.7935 2.7935 3.0118 3.0118 3.5261 3.5261 3.6323 3.6323 7.4271 7.4271 7.6112 7.6112 8.0185 8.0185 8.0254 8.0254 k = 0.1020 0.1767 0.3063 ( 2002 PWs) bands (ev): -5.3304 -5.3304 -5.3297 -5.3297 1.0511 1.0511 1.1465 1.1465 2.8516 2.8516 3.0693 3.0693 3.5950 3.5950 3.7009 3.7009 7.3994 7.3994 7.5750 7.5750 8.0078 8.0078 8.0214 8.0214 k = 0.0952 0.1650 0.3063 ( 2002 PWs) bands (ev): -5.3607 -5.3607 -5.3600 -5.3600 1.0977 1.0977 1.1898 1.1898 2.9190 2.9190 3.1347 3.1347 3.6623 3.6623 3.7666 3.7666 7.3645 7.3645 7.5298 7.5298 8.0033 8.0033 8.0251 8.0251 k = 0.0884 0.1532 0.3063 ( 1994 PWs) bands (ev): -5.3891 -5.3891 -5.3884 -5.3884 1.1382 1.1382 1.2258 1.2258 2.9953 2.9953 3.2074 3.2074 3.7275 3.7275 3.8289 3.8289 7.3219 7.3219 7.4759 7.4759 8.0055 8.0055 8.0353 8.0353 k = 0.0816 0.1414 0.3063 ( 1994 PWs) bands (ev): -5.4157 -5.4157 -5.4150 -5.4150 1.1729 1.1729 1.2550 1.2550 3.0794 3.0794 3.2863 3.2863 3.7906 3.7906 3.8879 3.8879 7.2711 7.2711 7.4138 7.4138 8.0141 8.0141 8.0509 8.0509 k = 0.0748 0.1296 0.3063 ( 1994 PWs) bands (ev): -5.4402 -5.4402 -5.4396 -5.4396 1.2023 1.2023 1.2782 1.2782 3.1698 3.1698 3.3702 3.3702 3.8513 3.8513 3.9434 3.9434 7.2122 7.2122 7.3439 7.3439 8.0288 8.0288 8.0709 8.0709 k = 0.0680 0.1178 0.3063 ( 1992 PWs) bands (ev): -5.4628 -5.4628 -5.4622 -5.4622 1.2270 1.2270 1.2961 1.2961 3.2648 3.2648 3.4571 3.4571 3.9099 3.9099 3.9955 3.9955 7.1454 7.1454 7.2667 7.2667 8.0488 8.0488 8.0944 8.0944 k = 0.0612 0.1060 0.3063 ( 1988 PWs) bands (ev): -5.4834 -5.4834 -5.4828 -5.4828 1.2475 1.2475 1.3096 1.3096 3.3625 3.3625 3.5450 3.5450 3.9665 3.9665 4.0444 4.0444 7.0714 7.0714 7.1829 7.1829 8.0732 8.0732 8.1204 8.1204 k = 0.0544 0.0943 0.3063 ( 1986 PWs) bands (ev): -5.5018 -5.5018 -5.5013 -5.5013 1.2645 1.2645 1.3194 1.3194 3.4605 3.4605 3.6311 3.6311 4.0216 4.0216 4.0904 4.0904 6.9916 6.9916 7.0938 7.0938 8.1009 8.1009 8.1479 8.1479 k = 0.0476 0.0825 0.3063 ( 1982 PWs) bands (ev): -5.5182 -5.5182 -5.5177 -5.5177 1.2784 1.2784 1.3262 1.3262 3.5563 3.5563 3.7123 3.7123 4.0760 4.0760 4.1341 4.1341 6.9081 6.9081 7.0013 7.0013 8.1307 8.1307 8.1758 8.1758 k = 0.0408 0.0707 0.3063 ( 1974 PWs) bands (ev): -5.5324 -5.5324 -5.5320 -5.5320 1.2899 1.2899 1.3305 1.3305 3.6470 3.6470 3.7852 3.7852 4.1301 4.1301 4.1759 4.1759 6.8240 6.8240 6.9080 6.9080 8.1612 8.1612 8.2026 8.2026 k = 0.0340 0.0589 0.3063 ( 1974 PWs) bands (ev): -5.5445 -5.5445 -5.5442 -5.5442 1.2993 1.2993 1.3329 1.3329 3.7297 3.7297 3.8468 3.8468 4.1836 4.1836 4.2162 4.2162 6.7430 6.7430 6.8171 6.8171 8.1907 8.1907 8.2269 8.2269 k = 0.0272 0.0471 0.3063 ( 1978 PWs) bands (ev): -5.5544 -5.5544 -5.5541 -5.5541 1.3071 1.3071 1.3338 1.3338 3.8015 3.8015 3.8952 3.8952 4.2348 4.2348 4.2548 4.2548 6.6693 6.6693 6.7321 6.7321 8.2176 8.2176 8.2467 8.2467 k = 0.0204 0.0353 0.3063 ( 1966 PWs) bands (ev): -5.5621 -5.5621 -5.5619 -5.5619 1.3136 1.3136 1.3335 1.3335 3.8605 3.8605 3.9297 3.9297 4.2806 4.2806 4.2903 4.2903 6.6075 6.6075 6.6573 6.6573 8.2398 8.2398 8.2594 8.2594 k = 0.0136 0.0236 0.3063 ( 1966 PWs) bands (ev): -5.5676 -5.5676 -5.5674 -5.5674 1.3189 1.3189 1.3322 1.3322 3.9055 3.9055 3.9507 3.9507 4.3168 4.3168 4.3200 4.3200 6.5622 6.5622 6.5969 6.5969 8.2545 8.2545 8.2632 8.2632 k = 0.0068 0.0118 0.3063 ( 1966 PWs) bands (ev): -5.5709 -5.5709 -5.5708 -5.5708 1.3234 1.3234 1.3300 1.3300 3.9365 3.9365 3.9587 3.9587 4.3399 4.3399 4.3403 4.3403 6.5371 6.5371 6.5550 6.5550 8.2602 8.2602 8.2620 8.2620 k = 0.0000 0.0000 0.3063 ( 1966 PWs) bands (ev): -5.5719 -5.5719 -5.5719 -5.5719 1.3271 1.3271 1.3271 1.3271 3.9540 3.9540 3.9540 3.9540 4.3477 4.3477 4.3477 4.3477 6.5345 6.5345 6.5345 6.5345 8.2610 8.2610 8.2610 8.2610 k = 0.5000 0.2887 0.3063 ( 2028 PWs) bands (ev): -4.4132 -4.4132 -4.4132 -4.4132 -0.8327 -0.8327 -0.8327 -0.8327 2.8124 2.8124 2.8124 2.8124 3.1258 3.1258 3.1258 3.1258 6.1460 6.1460 6.1460 6.1460 7.1177 7.1177 7.1177 7.1177 k = 0.5000 0.2887 0.2930 ( 2028 PWs) bands (ev): -4.4368 -4.4368 -4.3896 -4.3896 -0.8602 -0.8602 -0.8022 -0.8022 2.7522 2.7522 2.8610 2.8610 3.0716 3.0716 3.1848 3.1848 6.1027 6.1027 6.1831 6.1831 7.1254 7.1254 7.1325 7.1325 k = 0.5000 0.2887 0.2797 ( 2028 PWs) bands (ev): -4.4602 -4.4602 -4.3661 -4.3661 -0.8846 -0.8846 -0.7689 -0.7689 2.6826 2.6826 2.8890 2.8890 3.0349 3.0349 3.2426 3.2426 6.0592 6.0592 6.2090 6.2090 7.1528 7.1528 7.1715 7.1715 k = 0.5000 0.2887 0.2664 ( 2028 PWs) bands (ev): -4.4834 -4.4834 -4.3428 -4.3428 -0.9058 -0.9058 -0.7329 -0.7329 2.6045 2.6045 2.8806 2.8806 3.0339 3.0339 3.2955 3.2955 6.0210 6.0210 6.2215 6.2215 7.1950 7.1950 7.2366 7.2366 k = 0.5000 0.2887 0.2531 ( 2024 PWs) bands (ev): -4.5062 -4.5062 -4.3199 -4.3199 -0.9237 -0.9237 -0.6944 -0.6944 2.5192 2.5192 2.8463 2.8463 3.0589 3.0589 3.3411 3.3411 5.9927 5.9927 6.2210 6.2210 7.2480 7.2480 7.3270 7.3270 k = 0.5000 0.2887 0.2397 ( 2020 PWs) bands (ev): -4.5285 -4.5285 -4.2975 -4.2975 -0.9384 -0.9384 -0.6536 -0.6536 2.4283 2.4283 2.8059 2.8059 3.0896 3.0896 3.3786 3.3786 5.9778 5.9778 6.2099 6.2099 7.3091 7.3091 7.4393 7.4393 k = 0.5000 0.2887 0.2264 ( 2016 PWs) bands (ev): -4.5501 -4.5501 -4.2756 -4.2756 -0.9498 -0.9498 -0.6108 -0.6108 2.3336 2.3336 2.7658 2.7658 3.1172 3.1172 3.4083 3.4083 5.9783 5.9783 6.1914 6.1914 7.3766 7.3766 7.5696 7.5696 k = 0.5000 0.2887 0.2131 ( 2014 PWs) bands (ev): -4.5711 -4.5711 -4.2545 -4.2545 -0.9580 -0.9580 -0.5662 -0.5662 2.2367 2.2367 2.7277 2.7277 3.1373 3.1373 3.4323 3.4323 5.9951 5.9951 6.1681 6.1681 7.4489 7.4489 7.7145 7.7145 k = 0.5000 0.2887 0.1998 ( 2014 PWs) bands (ev): -4.5913 -4.5913 -4.2342 -4.2342 -0.9630 -0.9630 -0.5201 -0.5201 2.1391 2.1391 2.6920 2.6920 3.1463 3.1463 3.4540 3.4540 6.0276 6.0276 6.1428 6.1428 7.5248 7.5248 7.8712 7.8712 k = 0.5000 0.2887 0.1865 ( 2014 PWs) bands (ev): -4.6106 -4.6106 -4.2148 -4.2148 -0.9649 -0.9649 -0.4729 -0.4729 2.0419 2.0419 2.6588 2.6588 3.1417 3.1417 3.4766 3.4766 6.0704 6.0704 6.1215 6.1215 7.6031 7.6031 8.0375 8.0375 k = 0.5000 0.2887 0.1731 ( 2018 PWs) bands (ev): -4.6289 -4.6289 -4.1965 -4.1965 -0.9639 -0.9639 -0.4249 -0.4249 1.9462 1.9462 2.6280 2.6280 3.1231 3.1231 3.5021 3.5021 6.0768 6.0768 6.1502 6.1502 7.6826 7.6826 8.2119 8.2119 k = 0.5000 0.2887 0.1598 ( 2016 PWs) bands (ev): -4.6461 -4.6461 -4.1793 -4.1793 -0.9603 -0.9603 -0.3766 -0.3766 1.8528 1.8528 2.5995 2.5995 3.0921 3.0921 3.5306 3.5306 6.0529 6.0529 6.2218 6.2218 7.7619 7.7619 8.3930 8.3930 k = 0.5000 0.2887 0.1465 ( 2010 PWs) bands (ev): -4.6622 -4.6622 -4.1632 -4.1632 -0.9543 -0.9543 -0.3285 -0.3285 1.7628 1.7628 2.5734 2.5734 3.0515 3.0515 3.5611 3.5611 6.0275 6.0275 6.3059 6.3059 7.8394 7.8394 8.5794 8.5794 k = 0.5000 0.2887 0.1332 ( 2006 PWs) bands (ev): -4.6772 -4.6772 -4.1484 -4.1484 -0.9462 -0.9462 -0.2810 -0.2810 1.6768 1.6768 2.5495 2.5495 3.0043 3.0043 3.5926 3.5926 6.0030 6.0030 6.3984 6.3984 7.9131 7.9131 8.7675 8.7675 k = 0.5000 0.2887 0.1199 ( 2010 PWs) bands (ev): -4.6909 -4.6909 -4.1348 -4.1348 -0.9365 -0.9365 -0.2348 -0.2348 1.5956 1.5956 2.5279 2.5279 2.9533 2.9533 3.6239 3.6239 5.9801 5.9801 6.4967 6.4967 7.9806 7.9806 8.8042 8.8042 k = 0.5000 0.2887 0.1066 ( 2010 PWs) bands (ev): -4.7033 -4.7033 -4.1227 -4.1227 -0.9256 -0.9256 -0.1905 -0.1905 1.5200 1.5200 2.5085 2.5085 2.9011 2.9011 3.6540 3.6540 5.9591 5.9591 6.5988 6.5988 8.0393 8.0393 8.7308 8.7308 k = 0.5000 0.2887 0.0932 ( 2010 PWs) bands (ev): -4.7143 -4.7143 -4.1119 -4.1119 -0.9140 -0.9140 -0.1488 -0.1488 1.4508 1.4508 2.4914 2.4914 2.8498 2.8498 3.6822 3.6822 5.9403 5.9403 6.7023 6.7023 8.0861 8.0861 8.6635 8.6635 k = 0.5000 0.2887 0.0799 ( 2010 PWs) bands (ev): -4.7239 -4.7239 -4.1025 -4.1025 -0.9022 -0.9022 -0.1104 -0.1104 1.3888 1.3888 2.4765 2.4765 2.8013 2.8013 3.7080 3.7080 5.9239 5.9239 6.8052 6.8052 8.1184 8.1184 8.6043 8.6043 k = 0.5000 0.2887 0.0666 ( 2010 PWs) bands (ev): -4.7322 -4.7322 -4.0945 -4.0945 -0.8909 -0.8909 -0.0761 -0.0761 1.3346 1.3346 2.4639 2.4639 2.7572 2.7572 3.7306 3.7306 5.9098 5.9098 6.9047 6.9047 8.1346 8.1346 8.5538 8.5538 k = 0.5000 0.2887 0.0533 ( 2010 PWs) bands (ev): -4.7389 -4.7389 -4.0879 -4.0879 -0.8806 -0.8806 -0.0468 -0.0468 1.2890 1.2890 2.4536 2.4536 2.7190 2.7190 3.7498 3.7498 5.8981 5.8981 6.9975 6.9975 8.1354 8.1354 8.5123 8.5123 k = 0.5000 0.2887 0.0400 ( 2010 PWs) bands (ev): -4.7442 -4.7442 -4.0828 -4.0828 -0.8719 -0.8719 -0.0230 -0.0230 1.2528 1.2528 2.4455 2.4455 2.6880 2.6880 3.7651 3.7651 5.8891 5.8891 7.0794 7.0794 8.1243 8.1243 8.4797 8.4797 k = 0.5000 0.2887 0.0266 ( 2010 PWs) bands (ev): -4.7480 -4.7480 -4.0792 -4.0792 -0.8653 -0.8653 -0.0055 -0.0055 1.2264 1.2264 2.4397 2.4397 2.6651 2.6651 3.7762 3.7762 5.8825 5.8825 7.1451 7.1451 8.1076 8.1076 8.4563 8.4563 k = 0.5000 0.2887 0.0133 ( 2010 PWs) bands (ev): -4.7503 -4.7503 -4.0770 -4.0770 -0.8612 -0.8612 0.0052 0.0052 1.2104 1.2104 2.4363 2.4363 2.6510 2.6510 3.7829 3.7829 5.8786 5.8786 7.1884 7.1884 8.0929 8.0929 8.4421 8.4421 k = 0.5000 0.2887-0.0000 ( 2018 PWs) bands (ev): -4.7511 -4.7511 -4.0763 -4.0763 -0.8598 -0.8598 0.0088 0.0088 1.2050 1.2050 2.4351 2.4351 2.6463 2.6463 3.7852 3.7852 5.8773 5.8773 7.2036 7.2036 8.0871 8.0871 8.4373 8.4373 k = 0.3333 0.5774-0.0000 ( 2019 PWs) bands (ev): -4.2655 -4.2655 -4.2614 -4.2614 -0.4227 -0.2893 -0.2252 -0.2252 0.7899 0.7899 1.9439 2.0695 2.0695 2.2104 2.3712 2.3712 6.4634 6.4634 9.4322 9.8360 9.8360 9.9369 10.0972 10.1484 k = 0.3333 0.5774 0.0133 ( 2016 PWs) bands (ev): -4.2653 -4.2653 -4.2612 -4.2612 -0.4252 -0.2926 -0.2281 -0.2281 0.7911 0.7911 1.9498 2.0735 2.0735 2.2155 2.3700 2.3700 6.4689 6.4689 9.4058 9.7842 9.7842 9.8755 10.1009 10.1348 k = 0.3333 0.5774 0.0266 ( 2004 PWs) bands (ev): -4.2646 -4.2646 -4.2606 -4.2606 -0.4324 -0.3022 -0.2369 -0.2369 0.7947 0.7947 1.9673 2.0848 2.0848 2.2305 2.3667 2.3667 6.4856 6.4856 9.3302 9.6579 9.6579 9.7336 10.1061 10.1071 k = 0.3333 0.5774 0.0400 ( 2010 PWs) bands (ev): -4.2635 -4.2635 -4.2595 -4.2595 -0.4443 -0.3177 -0.2512 -0.2512 0.8006 0.8006 1.9961 2.1016 2.1016 2.2552 2.3630 2.3630 6.5131 6.5131 9.2149 9.4952 9.4952 9.5584 10.0824 10.1112 k = 0.3333 0.5774 0.0533 ( 2010 PWs) bands (ev): -4.2620 -4.2620 -4.2581 -4.2581 -0.4603 -0.3386 -0.2704 -0.2704 0.8089 0.8089 2.0354 2.1201 2.1201 2.2890 2.3625 2.3625 6.5512 6.5512 9.0724 9.3160 9.3160 9.3705 10.0667 10.1172 k = 0.3333 0.5774 0.0666 ( 2010 PWs) bands (ev): -4.2600 -4.2600 -4.2562 -4.2562 -0.4800 -0.3641 -0.2938 -0.2938 0.8196 0.8196 2.0844 2.1342 2.1342 2.3315 2.3706 2.3706 6.5996 6.5996 8.9132 9.1297 9.1297 9.1779 10.0593 10.1244 k = 0.3333 0.5774 0.0799 ( 2016 PWs) bands (ev): -4.2578 -4.2578 -4.2541 -4.2541 -0.5027 -0.3934 -0.3208 -0.3208 0.8325 0.8325 2.1373 2.1373 2.1422 2.3817 2.3936 2.3936 6.6580 6.6580 8.7447 8.9408 8.9408 8.9845 10.0582 10.1328 k = 0.3333 0.5774 0.0932 ( 2016 PWs) bands (ev): -4.2552 -4.2552 -4.2516 -4.2516 -0.5279 -0.4255 -0.3504 -0.3504 0.8476 0.8476 2.1267 2.1267 2.2075 2.4336 2.4336 2.4389 6.7258 6.7258 8.5719 8.7522 8.7522 8.7925 10.0617 10.1425 k = 0.3333 0.5774 0.1066 ( 2022 PWs) bands (ev): -4.2523 -4.2523 -4.2489 -4.2489 -0.5548 -0.4597 -0.3820 -0.3820 0.8650 0.8650 2.1044 2.1044 2.2795 2.4880 2.4880 2.5022 6.8025 6.8025 8.3980 8.5656 8.5656 8.6031 10.0687 10.1533 k = 0.3333 0.5774 0.1199 ( 2025 PWs) bands (ev): -4.2492 -4.2492 -4.2459 -4.2459 -0.5829 -0.4951 -0.4147 -0.4147 0.8845 0.8845 2.0737 2.0737 2.3570 2.5531 2.5531 2.5704 6.8877 6.8877 8.2253 8.3823 8.3823 8.4174 10.0784 10.1651 k = 0.3333 0.5774 0.1332 ( 2025 PWs) bands (ev): -4.2460 -4.2459 -4.2428 -4.2428 -0.6115 -0.5310 -0.4479 -0.4479 0.9061 0.9061 2.0372 2.0372 2.4389 2.6256 2.6256 2.6427 6.9809 6.9809 8.0556 8.2033 8.2033 8.2362 10.0903 10.1778 k = 0.3333 0.5774 0.1465 ( 2025 PWs) bands (ev): -4.2426 -4.2425 -4.2396 -4.2396 -0.6401 -0.5668 -0.4809 -0.4809 0.9297 0.9297 1.9965 1.9965 2.5242 2.7032 2.7032 2.7179 7.0815 7.0815 7.8903 8.0296 8.0296 8.0603 10.1040 10.1912 k = 0.3333 0.5774 0.1598 ( 2025 PWs) bands (ev): -4.2392 -4.2391 -4.2363 -4.2363 -0.6680 -0.6018 -0.5132 -0.5132 0.9553 0.9553 1.9528 1.9528 2.6117 2.7842 2.7842 2.7948 7.1890 7.1890 7.7307 7.8624 7.8624 7.8906 10.1191 10.2050 k = 0.3333 0.5774 0.1731 ( 2013 PWs) bands (ev): -4.2357 -4.2357 -4.2331 -4.2331 -0.6948 -0.6355 -0.5442 -0.5442 0.9828 0.9828 1.9070 1.9070 2.7002 2.8668 2.8668 2.8722 7.3026 7.3026 7.5780 7.7028 7.7028 7.7280 10.1353 10.1648 k = 0.3333 0.5774 0.1865 ( 2031 PWs) bands (ev): -4.2324 -4.2323 -4.2299 -4.2299 -0.7202 -0.6674 -0.5735 -0.5735 1.0121 1.0121 1.8598 1.8598 2.7886 2.9487 2.9495 2.9495 7.4186 7.4186 7.4336 7.5552 7.5552 7.5733 10.0736 10.0736 k = 0.3333 0.5774 0.1998 ( 2025 PWs) bands (ev): -4.2292 -4.2291 -4.2269 -4.2269 -0.7436 -0.6973 -0.6007 -0.6007 1.0430 1.0430 1.8119 1.8119 2.8755 3.0229 3.0307 3.0307 7.2989 7.3999 7.3999 7.4277 7.5575 7.5575 9.9599 9.9599 k = 0.3333 0.5774 0.2131 ( 2028 PWs) bands (ev): -4.2262 -4.2261 -4.2240 -4.2240 -0.7647 -0.7247 -0.6255 -0.6255 1.0753 1.0753 1.7638 1.7638 2.9595 3.0931 3.1089 3.1089 7.1753 7.2718 7.2718 7.2925 7.6854 7.6854 9.8284 9.8284 k = 0.3333 0.5774 0.2264 ( 2019 PWs) bands (ev): -4.2235 -4.2234 -4.2214 -4.2214 -0.7833 -0.7493 -0.6475 -0.6475 1.1087 1.1087 1.7162 1.7162 3.0391 3.1577 3.1822 3.1822 7.0646 7.1532 7.1532 7.1689 7.8212 7.8212 9.6839 9.6839 k = 0.3333 0.5774 0.2397 ( 2019 PWs) bands (ev): -4.2211 -4.2210 -4.2191 -4.2191 -0.7990 -0.7709 -0.6665 -0.6665 1.1427 1.1427 1.6696 1.6696 3.1127 3.2149 3.2488 3.2488 6.9684 7.0481 7.0481 7.0586 7.9620 7.9620 9.5310 9.5310 k = 0.3333 0.5774 0.2531 ( 2028 PWs) bands (ev): -4.2190 -4.2190 -4.2172 -4.2172 -0.8117 -0.7894 -0.6823 -0.6823 1.1767 1.1767 1.6252 1.6252 3.1784 3.2627 3.3069 3.3069 6.8885 6.9586 6.9586 6.9631 8.1070 8.1070 9.3729 9.3729 k = 0.3333 0.5774 0.2664 ( 2028 PWs) bands (ev): -4.2174 -4.2173 -4.2156 -4.2156 -0.8211 -0.8045 -0.6948 -0.6948 1.2093 1.2093 1.5843 1.5843 3.2346 3.2994 3.3545 3.3545 6.8266 6.8841 6.8866 6.8866 8.2557 8.2557 9.2124 9.2124 k = 0.3333 0.5774 0.2797 ( 2028 PWs) bands (ev): -4.2162 -4.2161 -4.2145 -4.2145 -0.8272 -0.8161 -0.7038 -0.7038 1.2382 1.2382 1.5494 1.5494 3.2795 3.3236 3.3900 3.3900 6.7841 6.8233 6.8338 6.8338 8.4074 8.4074 9.0516 9.0516 k = 0.3333 0.5774 0.2930 ( 2031 PWs) bands (ev): -4.2154 -4.2154 -4.2138 -4.2138 -0.8298 -0.8243 -0.7093 -0.7093 1.2594 1.2594 1.5246 1.5246 3.3117 3.3340 3.4119 3.4119 6.7622 6.7821 6.8015 6.8015 8.5598 8.5598 8.8934 8.8934 k = 0.3333 0.5774 0.3063 ( 2022 PWs) bands (ev): -4.2152 -4.2152 -4.2136 -4.2136 -0.8288 -0.8288 -0.7111 -0.7111 1.2674 1.2674 1.5154 1.5154 3.3301 3.3301 3.4193 3.4193 6.7616 6.7616 6.7907 6.7907 8.6769 8.6769 8.7744 8.7744 Writing output data file AlSb.save init_run : 3.18s CPU 13.60s WALL ( 1 calls) electrons : 147.65s CPU 151.98s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.06s WALL ( 1 calls) potinit : 0.62s CPU 1.59s WALL ( 1 calls) Called by electrons: c_bands : 147.57s CPU 151.58s WALL ( 1 calls) v_of_rho : 0.35s CPU 0.97s WALL ( 1 calls) v_h : 0.00s CPU 0.01s WALL ( 1 calls) v_xc : 0.34s CPU 0.60s WALL ( 1 calls) newd : 0.27s CPU 0.45s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.03s WALL ( 312 calls) cegterg : 127.49s CPU 128.65s WALL ( 660 calls) Called by sum_band: Called by *egterg: h_psi : 62.08s CPU 67.02s WALL ( 11251 calls) s_psi : 7.04s CPU 7.78s WALL ( 11251 calls) g_psi : 0.08s CPU 0.18s WALL ( 10279 calls) cdiaghg : 39.48s CPU 37.14s WALL ( 10591 calls) cegterg:over : 11.19s CPU 9.21s WALL ( 10279 calls) cegterg:upda : 0.39s CPU 1.58s WALL ( 10279 calls) cegterg:last : 0.49s CPU 1.13s WALL ( 1941 calls) Called by h_psi: h_psi:vloc : 47.11s CPU 51.92s WALL ( 11251 calls) h_psi:vnl : 14.95s CPU 14.95s WALL ( 11251 calls) add_vuspsi : 2.62s CPU 5.64s WALL ( 11251 calls) General routines calbec : 12.31s CPU 9.24s WALL ( 11251 calls) fft : 0.50s CPU 1.52s WALL ( 19 calls) ffts : 0.00s CPU 0.05s WALL ( 4 calls) fftw : 44.62s CPU 48.30s WALL ( 585148 calls) interpolate : 0.04s CPU 0.09s WALL ( 4 calls) davcio : 0.02s CPU 0.83s WALL ( 624 calls) Parallel routines fft_scatter : 33.32s CPU 34.79s WALL ( 585171 calls) PWSCF : 2m53.55s CPU 3m46.89s WALL This run was terminated on: 0:40:41 31Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=