Program PWSCF v.5.1.1 starts on 8Oct2015 at 21:25:32 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: ./LiAgC2.save/ 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 30 30 8 1304 1304 196 Max 31 31 9 1312 1312 203 Sum 1459 1459 421 62759 62759 9599 bravais-lattice index = 14 lattice parameter (alat) = 7.1587 a.u. unit-cell volume = 446.8453 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 22.00 number of Kohn-Sham states= 30 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 411.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.158660 celldm(2)= 1.000000 celldm(3)= 1.406473 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 1.406473 ) 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 0.710998 ) PseudoPot. # 1 for Li read from file: /home/autes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for C read from file: /home/autes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Ag read from file: /home/autes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1237 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Li 3.00 6.94100 Li( 1.00) C 4.00 12.01070 C( 1.00) Ag 11.00 107.86820 Ag( 1.00) 12 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,1,0] cryst. s( 2) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 5) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.5000000 -0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [2,1,0] cryst. s( 6) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 7) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 7) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 60 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 9) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s(10) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3h (-62m) there are 9 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3C2' s_h 2S3 -2S3 3s_v -3C2' -s_h' -3s_v G_7 2.00 -2.00 1.00 -1.00 0.00 0.00 1.73 -1.73 0.00 G_8 2.00 -2.00 1.00 -1.00 0.00 0.00 -1.73 1.73 0.00 G_9 2.00 -2.00 -2.00 2.00 0.00 0.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 3C2'-3C2' 2 -6 -5 -2 5 6 2C3 3 4 3s_v-3s_v 7 -7 3s_v-3s_v 8 -8 11 -12 -11 12 2S3 9 10 -E -1 -2C3 -3 -4 -2S3 -9 -10 Cartesian axes number of k points= 363 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027548 k( 2) = ( 0.0104167 0.0060141 -0.0000000), wk = 0.0027548 k( 3) = ( 0.0208333 0.0120281 -0.0000000), wk = 0.0027548 k( 4) = ( 0.0312500 0.0180422 -0.0000000), wk = 0.0027548 k( 5) = ( 0.0416667 0.0240563 -0.0000000), wk = 0.0027548 k( 6) = ( 0.0520833 0.0300703 -0.0000000), wk = 0.0027548 k( 7) = ( 0.0625000 0.0360844 -0.0000000), wk = 0.0027548 k( 8) = ( 0.0729167 0.0420985 -0.0000000), wk = 0.0027548 k( 9) = ( 0.0833333 0.0481125 -0.0000000), wk = 0.0027548 k( 10) = ( 0.0937500 0.0541266 -0.0000000), wk = 0.0027548 k( 11) = ( 0.1041667 0.0601407 -0.0000000), wk = 0.0027548 k( 12) = ( 0.1145833 0.0661547 -0.0000000), wk = 0.0027548 k( 13) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0027548 k( 14) = ( 0.1354167 0.0781829 -0.0000000), wk = 0.0027548 k( 15) = ( 0.1458333 0.0841969 -0.0000000), wk = 0.0027548 k( 16) = ( 0.1562500 0.0902110 -0.0000000), wk = 0.0027548 k( 17) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0027548 k( 18) = ( 0.1770833 0.1022391 -0.0000000), wk = 0.0027548 k( 19) = ( 0.1875000 0.1082532 -0.0000000), wk = 0.0027548 k( 20) = ( 0.1979167 0.1142672 -0.0000000), wk = 0.0027548 k( 21) = ( 0.2083333 0.1202813 -0.0000000), wk = 0.0027548 k( 22) = ( 0.2187500 0.1262954 -0.0000000), wk = 0.0027548 k( 23) = ( 0.2291667 0.1323094 -0.0000000), wk = 0.0027548 k( 24) = ( 0.2395833 0.1383235 -0.0000000), wk = 0.0027548 k( 25) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0027548 k( 26) = ( 0.2604167 0.1503516 -0.0000000), wk = 0.0027548 k( 27) = ( 0.2708333 0.1563657 -0.0000000), wk = 0.0027548 k( 28) = ( 0.2812500 0.1623798 -0.0000000), wk = 0.0027548 k( 29) = ( 0.2916667 0.1683938 -0.0000000), wk = 0.0027548 k( 30) = ( 0.3020833 0.1744079 -0.0000000), wk = 0.0027548 k( 31) = ( 0.3125000 0.1804220 -0.0000000), wk = 0.0027548 k( 32) = ( 0.3229167 0.1864360 -0.0000000), wk = 0.0027548 k( 33) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0027548 k( 34) = ( 0.3437500 0.1984642 -0.0000000), wk = 0.0027548 k( 35) = ( 0.3541667 0.2044782 -0.0000000), wk = 0.0027548 k( 36) = ( 0.3645833 0.2104923 -0.0000000), wk = 0.0027548 k( 37) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0027548 k( 38) = ( 0.3854167 0.2225204 -0.0000000), wk = 0.0027548 k( 39) = ( 0.3958333 0.2285345 -0.0000000), wk = 0.0027548 k( 40) = ( 0.4062500 0.2345485 -0.0000000), wk = 0.0027548 k( 41) = ( 0.4166667 0.2405626 -0.0000000), wk = 0.0027548 k( 42) = ( 0.4270833 0.2465767 -0.0000000), wk = 0.0027548 k( 43) = ( 0.4375000 0.2525907 -0.0000000), wk = 0.0027548 k( 44) = ( 0.4479167 0.2586048 -0.0000000), wk = 0.0027548 k( 45) = ( 0.4583333 0.2646189 -0.0000000), wk = 0.0027548 k( 46) = ( 0.4687500 0.2706329 -0.0000000), wk = 0.0027548 k( 47) = ( 0.4791667 0.2766470 -0.0000000), wk = 0.0027548 k( 48) = ( 0.4895833 0.2826611 -0.0000000), wk = 0.0027548 k( 49) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0027548 k( 50) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0027548 k( 51) = ( 0.4940476 0.2989850 -0.0000000), wk = 0.0027548 k( 52) = ( 0.4880952 0.3092948 -0.0000000), wk = 0.0027548 k( 53) = ( 0.4821429 0.3196046 -0.0000000), wk = 0.0027548 k( 54) = ( 0.4761905 0.3299144 -0.0000000), wk = 0.0027548 k( 55) = ( 0.4702381 0.3402243 -0.0000000), wk = 0.0027548 k( 56) = ( 0.4642857 0.3505341 -0.0000000), wk = 0.0027548 k( 57) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0027548 k( 58) = ( 0.4523810 0.3711537 -0.0000000), wk = 0.0027548 k( 59) = ( 0.4464286 0.3814636 -0.0000000), wk = 0.0027548 k( 60) = ( 0.4404762 0.3917734 -0.0000000), wk = 0.0027548 k( 61) = ( 0.4345238 0.4020832 -0.0000000), wk = 0.0027548 k( 62) = ( 0.4285714 0.4123930 -0.0000000), wk = 0.0027548 k( 63) = ( 0.4226190 0.4227029 -0.0000000), wk = 0.0027548 k( 64) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0027548 k( 65) = ( 0.4107143 0.4433225 -0.0000000), wk = 0.0027548 k( 66) = ( 0.4047619 0.4536324 -0.0000000), wk = 0.0027548 k( 67) = ( 0.3988095 0.4639422 -0.0000000), wk = 0.0027548 k( 68) = ( 0.3928571 0.4742520 -0.0000000), wk = 0.0027548 k( 69) = ( 0.3869048 0.4845618 -0.0000000), wk = 0.0027548 k( 70) = ( 0.3809524 0.4948717 -0.0000000), wk = 0.0027548 k( 71) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0027548 k( 72) = ( 0.3690476 0.5154913 -0.0000000), wk = 0.0027548 k( 73) = ( 0.3630952 0.5258011 -0.0000000), wk = 0.0027548 k( 74) = ( 0.3571429 0.5361110 -0.0000000), wk = 0.0027548 k( 75) = ( 0.3511905 0.5464208 -0.0000000), wk = 0.0027548 k( 76) = ( 0.3452381 0.5567306 -0.0000000), wk = 0.0027548 k( 77) = ( 0.3392857 0.5670404 -0.0000000), wk = 0.0027548 k( 78) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0027548 k( 79) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0027548 k( 80) = ( 0.3273810 0.5670404 -0.0000000), wk = 0.0027548 k( 81) = ( 0.3214286 0.5567306 -0.0000000), wk = 0.0027548 k( 82) = ( 0.3154762 0.5464208 -0.0000000), wk = 0.0027548 k( 83) = ( 0.3095238 0.5361110 -0.0000000), wk = 0.0027548 k( 84) = ( 0.3035714 0.5258011 -0.0000000), wk = 0.0027548 k( 85) = ( 0.2976190 0.5154913 -0.0000000), wk = 0.0027548 k( 86) = ( 0.2916667 0.5051815 -0.0000000), wk = 0.0027548 k( 87) = ( 0.2857143 0.4948717 -0.0000000), wk = 0.0027548 k( 88) = ( 0.2797619 0.4845618 -0.0000000), wk = 0.0027548 k( 89) = ( 0.2738095 0.4742520 -0.0000000), wk = 0.0027548 k( 90) = ( 0.2678571 0.4639422 -0.0000000), wk = 0.0027548 k( 91) = ( 0.2619048 0.4536324 -0.0000000), wk = 0.0027548 k( 92) = ( 0.2559524 0.4433225 -0.0000000), wk = 0.0027548 k( 93) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0027548 k( 94) = ( 0.2440476 0.4227029 -0.0000000), wk = 0.0027548 k( 95) = ( 0.2380952 0.4123931 -0.0000000), wk = 0.0027548 k( 96) = ( 0.2321429 0.4020832 -0.0000000), wk = 0.0027548 k( 97) = ( 0.2261905 0.3917734 -0.0000000), wk = 0.0027548 k( 98) = ( 0.2202381 0.3814636 -0.0000000), wk = 0.0027548 k( 99) = ( 0.2142857 0.3711537 -0.0000000), wk = 0.0027548 k( 100) = ( 0.2083333 0.3608439 -0.0000000), wk = 0.0027548 k( 101) = ( 0.2023810 0.3505341 -0.0000000), wk = 0.0027548 k( 102) = ( 0.1964286 0.3402243 -0.0000000), wk = 0.0027548 k( 103) = ( 0.1904762 0.3299144 -0.0000000), wk = 0.0027548 k( 104) = ( 0.1845238 0.3196046 -0.0000000), wk = 0.0027548 k( 105) = ( 0.1785714 0.3092948 -0.0000000), wk = 0.0027548 k( 106) = ( 0.1726190 0.2989850 -0.0000000), wk = 0.0027548 k( 107) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0027548 k( 108) = ( 0.1607143 0.2783653 -0.0000000), wk = 0.0027548 k( 109) = ( 0.1547619 0.2680555 -0.0000000), wk = 0.0027548 k( 110) = ( 0.1488095 0.2577456 -0.0000000), wk = 0.0027548 k( 111) = ( 0.1428571 0.2474358 -0.0000000), wk = 0.0027548 k( 112) = ( 0.1369048 0.2371260 -0.0000000), wk = 0.0027548 k( 113) = ( 0.1309524 0.2268162 -0.0000000), wk = 0.0027548 k( 114) = ( 0.1250000 0.2165064 -0.0000000), wk = 0.0027548 k( 115) = ( 0.1190476 0.2061965 -0.0000000), wk = 0.0027548 k( 116) = ( 0.1130952 0.1958867 -0.0000000), wk = 0.0027548 k( 117) = ( 0.1071429 0.1855769 -0.0000000), wk = 0.0027548 k( 118) = ( 0.1011905 0.1752671 -0.0000000), wk = 0.0027548 k( 119) = ( 0.0952381 0.1649572 -0.0000000), wk = 0.0027548 k( 120) = ( 0.0892857 0.1546474 -0.0000000), wk = 0.0027548 k( 121) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0027548 k( 122) = ( 0.0773810 0.1340277 -0.0000000), wk = 0.0027548 k( 123) = ( 0.0714286 0.1237179 -0.0000000), wk = 0.0027548 k( 124) = ( 0.0654762 0.1134081 -0.0000000), wk = 0.0027548 k( 125) = ( 0.0595238 0.1030983 -0.0000000), wk = 0.0027548 k( 126) = ( 0.0535714 0.0927884 -0.0000000), wk = 0.0027548 k( 127) = ( 0.0476191 0.0824786 -0.0000000), wk = 0.0027548 k( 128) = ( 0.0416667 0.0721688 -0.0000000), wk = 0.0027548 k( 129) = ( 0.0357143 0.0618590 -0.0000000), wk = 0.0027548 k( 130) = ( 0.0297619 0.0515491 -0.0000000), wk = 0.0027548 k( 131) = ( 0.0238095 0.0412393 -0.0000000), wk = 0.0027548 k( 132) = ( 0.0178571 0.0309295 -0.0000000), wk = 0.0027548 k( 133) = ( 0.0119048 0.0206196 -0.0000000), wk = 0.0027548 k( 134) = ( 0.0059524 0.0103098 -0.0000000), wk = 0.0027548 k( 135) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027548 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027548 k( 137) = ( 0.0000000 0.0000000 0.0118500), wk = 0.0027548 k( 138) = ( 0.0000000 0.0000000 0.0236999), wk = 0.0027548 k( 139) = ( 0.0000000 0.0000000 0.0355499), wk = 0.0027548 k( 140) = ( 0.0000000 0.0000000 0.0473999), wk = 0.0027548 k( 141) = ( 0.0000000 0.0000000 0.0592499), wk = 0.0027548 k( 142) = ( 0.0000000 0.0000000 0.0710998), wk = 0.0027548 k( 143) = ( 0.0000000 0.0000000 0.0829498), wk = 0.0027548 k( 144) = ( 0.0000000 0.0000000 0.0947998), wk = 0.0027548 k( 145) = ( 0.0000000 0.0000000 0.1066498), wk = 0.0027548 k( 146) = ( 0.0000000 0.0000000 0.1184998), wk = 0.0027548 k( 147) = ( 0.0000000 0.0000000 0.1303497), wk = 0.0027548 k( 148) = ( 0.0000000 0.0000000 0.1421997), wk = 0.0027548 k( 149) = ( 0.0000000 0.0000000 0.1540497), wk = 0.0027548 k( 150) = ( 0.0000000 0.0000000 0.1658996), wk = 0.0027548 k( 151) = ( 0.0000000 0.0000000 0.1777496), wk = 0.0027548 k( 152) = ( 0.0000000 0.0000000 0.1895996), wk = 0.0027548 k( 153) = ( 0.0000000 0.0000000 0.2014496), wk = 0.0027548 k( 154) = ( 0.0000000 0.0000000 0.2132995), wk = 0.0027548 k( 155) = ( 0.0000000 0.0000000 0.2251495), wk = 0.0027548 k( 156) = ( 0.0000000 0.0000000 0.2369995), wk = 0.0027548 k( 157) = ( 0.0000000 0.0000000 0.2488495), wk = 0.0027548 k( 158) = ( 0.0000000 0.0000000 0.2606995), wk = 0.0027548 k( 159) = ( 0.0000000 0.0000000 0.2725494), wk = 0.0027548 k( 160) = ( 0.0000000 0.0000000 0.2843994), wk = 0.0027548 k( 161) = ( 0.0000000 0.0000000 0.2962494), wk = 0.0027548 k( 162) = ( 0.0000000 0.0000000 0.3080993), wk = 0.0027548 k( 163) = ( 0.0000000 0.0000000 0.3199493), wk = 0.0027548 k( 164) = ( 0.0000000 0.0000000 0.3317993), wk = 0.0027548 k( 165) = ( 0.0000000 0.0000000 0.3436493), wk = 0.0027548 k( 166) = ( 0.0000000 0.0000000 0.3554992), wk = 0.0027548 k( 167) = ( 0.0000000 0.0000000 0.3554992), wk = 0.0027548 k( 168) = ( 0.0104167 0.0060141 0.3554992), wk = 0.0027548 k( 169) = ( 0.0208333 0.0120281 0.3554992), wk = 0.0027548 k( 170) = ( 0.0312500 0.0180422 0.3554992), wk = 0.0027548 k( 171) = ( 0.0416667 0.0240563 0.3554992), wk = 0.0027548 k( 172) = ( 0.0520833 0.0300703 0.3554992), wk = 0.0027548 k( 173) = ( 0.0625000 0.0360844 0.3554992), wk = 0.0027548 k( 174) = ( 0.0729167 0.0420985 0.3554992), wk = 0.0027548 k( 175) = ( 0.0833333 0.0481125 0.3554992), wk = 0.0027548 k( 176) = ( 0.0937500 0.0541266 0.3554992), wk = 0.0027548 k( 177) = ( 0.1041667 0.0601407 0.3554992), wk = 0.0027548 k( 178) = ( 0.1145833 0.0661547 0.3554992), wk = 0.0027548 k( 179) = ( 0.1250000 0.0721688 0.3554992), wk = 0.0027548 k( 180) = ( 0.1354167 0.0781829 0.3554992), wk = 0.0027548 k( 181) = ( 0.1458333 0.0841969 0.3554992), wk = 0.0027548 k( 182) = ( 0.1562500 0.0902110 0.3554992), wk = 0.0027548 k( 183) = ( 0.1666667 0.0962250 0.3554992), wk = 0.0027548 k( 184) = ( 0.1770833 0.1022391 0.3554992), wk = 0.0027548 k( 185) = ( 0.1875000 0.1082532 0.3554992), wk = 0.0027548 k( 186) = ( 0.1979167 0.1142672 0.3554992), wk = 0.0027548 k( 187) = ( 0.2083333 0.1202813 0.3554992), wk = 0.0027548 k( 188) = ( 0.2187500 0.1262954 0.3554992), wk = 0.0027548 k( 189) = ( 0.2291667 0.1323094 0.3554992), wk = 0.0027548 k( 190) = ( 0.2395833 0.1383235 0.3554992), wk = 0.0027548 k( 191) = ( 0.2500000 0.1443376 0.3554992), wk = 0.0027548 k( 192) = ( 0.2604167 0.1503516 0.3554992), wk = 0.0027548 k( 193) = ( 0.2708333 0.1563657 0.3554992), wk = 0.0027548 k( 194) = ( 0.2812500 0.1623798 0.3554992), wk = 0.0027548 k( 195) = ( 0.2916667 0.1683938 0.3554992), wk = 0.0027548 k( 196) = ( 0.3020833 0.1744079 0.3554992), wk = 0.0027548 k( 197) = ( 0.3125000 0.1804220 0.3554992), wk = 0.0027548 k( 198) = ( 0.3229167 0.1864360 0.3554992), wk = 0.0027548 k( 199) = ( 0.3333333 0.1924501 0.3554992), wk = 0.0027548 k( 200) = ( 0.3437500 0.1984642 0.3554992), wk = 0.0027548 k( 201) = ( 0.3541667 0.2044782 0.3554992), wk = 0.0027548 k( 202) = ( 0.3645833 0.2104923 0.3554992), wk = 0.0027548 k( 203) = ( 0.3750000 0.2165064 0.3554992), wk = 0.0027548 k( 204) = ( 0.3854167 0.2225204 0.3554992), wk = 0.0027548 k( 205) = ( 0.3958333 0.2285345 0.3554992), wk = 0.0027548 k( 206) = ( 0.4062500 0.2345485 0.3554992), wk = 0.0027548 k( 207) = ( 0.4166667 0.2405626 0.3554992), wk = 0.0027548 k( 208) = ( 0.4270833 0.2465767 0.3554992), wk = 0.0027548 k( 209) = ( 0.4375000 0.2525907 0.3554992), wk = 0.0027548 k( 210) = ( 0.4479167 0.2586048 0.3554992), wk = 0.0027548 k( 211) = ( 0.4583333 0.2646189 0.3554992), wk = 0.0027548 k( 212) = ( 0.4687500 0.2706329 0.3554992), wk = 0.0027548 k( 213) = ( 0.4791667 0.2766470 0.3554992), wk = 0.0027548 k( 214) = ( 0.4895833 0.2826611 0.3554992), wk = 0.0027548 k( 215) = ( 0.5000000 0.2886751 0.3554992), wk = 0.0027548 k( 216) = ( 0.5000000 0.2886751 0.3554992), wk = 0.0027548 k( 217) = ( 0.4940476 0.2989850 0.3554992), wk = 0.0027548 k( 218) = ( 0.4880952 0.3092948 0.3554992), wk = 0.0027548 k( 219) = ( 0.4821429 0.3196046 0.3554992), wk = 0.0027548 k( 220) = ( 0.4761905 0.3299144 0.3554992), wk = 0.0027548 k( 221) = ( 0.4702381 0.3402243 0.3554992), wk = 0.0027548 k( 222) = ( 0.4642857 0.3505341 0.3554992), wk = 0.0027548 k( 223) = ( 0.4583333 0.3608439 0.3554992), wk = 0.0027548 k( 224) = ( 0.4523810 0.3711537 0.3554992), wk = 0.0027548 k( 225) = ( 0.4464286 0.3814636 0.3554992), wk = 0.0027548 k( 226) = ( 0.4404762 0.3917734 0.3554992), wk = 0.0027548 k( 227) = ( 0.4345238 0.4020832 0.3554992), wk = 0.0027548 k( 228) = ( 0.4285714 0.4123930 0.3554992), wk = 0.0027548 k( 229) = ( 0.4226190 0.4227029 0.3554992), wk = 0.0027548 k( 230) = ( 0.4166667 0.4330127 0.3554992), wk = 0.0027548 k( 231) = ( 0.4107143 0.4433225 0.3554992), wk = 0.0027548 k( 232) = ( 0.4047619 0.4536324 0.3554992), wk = 0.0027548 k( 233) = ( 0.3988095 0.4639422 0.3554992), wk = 0.0027548 k( 234) = ( 0.3928571 0.4742520 0.3554992), wk = 0.0027548 k( 235) = ( 0.3869048 0.4845618 0.3554992), wk = 0.0027548 k( 236) = ( 0.3809524 0.4948717 0.3554992), wk = 0.0027548 k( 237) = ( 0.3750000 0.5051815 0.3554992), wk = 0.0027548 k( 238) = ( 0.3690476 0.5154913 0.3554992), wk = 0.0027548 k( 239) = ( 0.3630952 0.5258011 0.3554992), wk = 0.0027548 k( 240) = ( 0.3571429 0.5361110 0.3554992), wk = 0.0027548 k( 241) = ( 0.3511905 0.5464208 0.3554992), wk = 0.0027548 k( 242) = ( 0.3452381 0.5567306 0.3554992), wk = 0.0027548 k( 243) = ( 0.3392857 0.5670404 0.3554992), wk = 0.0027548 k( 244) = ( 0.3333333 0.5773503 0.3554992), wk = 0.0027548 k( 245) = ( 0.3333333 0.5773503 0.3554992), wk = 0.0027548 k( 246) = ( 0.3273810 0.5670404 0.3554992), wk = 0.0027548 k( 247) = ( 0.3214286 0.5567306 0.3554992), wk = 0.0027548 k( 248) = ( 0.3154762 0.5464208 0.3554992), wk = 0.0027548 k( 249) = ( 0.3095238 0.5361110 0.3554992), wk = 0.0027548 k( 250) = ( 0.3035714 0.5258011 0.3554992), wk = 0.0027548 k( 251) = ( 0.2976190 0.5154913 0.3554992), wk = 0.0027548 k( 252) = ( 0.2916667 0.5051815 0.3554992), wk = 0.0027548 k( 253) = ( 0.2857143 0.4948717 0.3554992), wk = 0.0027548 k( 254) = ( 0.2797619 0.4845618 0.3554992), wk = 0.0027548 k( 255) = ( 0.2738095 0.4742520 0.3554992), wk = 0.0027548 k( 256) = ( 0.2678571 0.4639422 0.3554992), wk = 0.0027548 k( 257) = ( 0.2619048 0.4536324 0.3554992), wk = 0.0027548 k( 258) = ( 0.2559524 0.4433225 0.3554992), wk = 0.0027548 k( 259) = ( 0.2500000 0.4330127 0.3554992), wk = 0.0027548 k( 260) = ( 0.2440476 0.4227029 0.3554992), wk = 0.0027548 k( 261) = ( 0.2380952 0.4123931 0.3554992), wk = 0.0027548 k( 262) = ( 0.2321429 0.4020832 0.3554992), wk = 0.0027548 k( 263) = ( 0.2261905 0.3917734 0.3554992), wk = 0.0027548 k( 264) = ( 0.2202381 0.3814636 0.3554992), wk = 0.0027548 k( 265) = ( 0.2142857 0.3711537 0.3554992), wk = 0.0027548 k( 266) = ( 0.2083333 0.3608439 0.3554992), wk = 0.0027548 k( 267) = ( 0.2023810 0.3505341 0.3554992), wk = 0.0027548 k( 268) = ( 0.1964286 0.3402243 0.3554992), wk = 0.0027548 k( 269) = ( 0.1904762 0.3299144 0.3554992), wk = 0.0027548 k( 270) = ( 0.1845238 0.3196046 0.3554992), wk = 0.0027548 k( 271) = ( 0.1785714 0.3092948 0.3554992), wk = 0.0027548 k( 272) = ( 0.1726190 0.2989850 0.3554992), wk = 0.0027548 k( 273) = ( 0.1666667 0.2886751 0.3554992), wk = 0.0027548 k( 274) = ( 0.1607143 0.2783653 0.3554992), wk = 0.0027548 k( 275) = ( 0.1547619 0.2680555 0.3554992), wk = 0.0027548 k( 276) = ( 0.1488095 0.2577456 0.3554992), wk = 0.0027548 k( 277) = ( 0.1428571 0.2474358 0.3554992), wk = 0.0027548 k( 278) = ( 0.1369048 0.2371260 0.3554992), wk = 0.0027548 k( 279) = ( 0.1309524 0.2268162 0.3554992), wk = 0.0027548 k( 280) = ( 0.1250000 0.2165064 0.3554992), wk = 0.0027548 k( 281) = ( 0.1190476 0.2061965 0.3554992), wk = 0.0027548 k( 282) = ( 0.1130952 0.1958867 0.3554992), wk = 0.0027548 k( 283) = ( 0.1071429 0.1855769 0.3554992), wk = 0.0027548 k( 284) = ( 0.1011905 0.1752671 0.3554992), wk = 0.0027548 k( 285) = ( 0.0952381 0.1649572 0.3554992), wk = 0.0027548 k( 286) = ( 0.0892857 0.1546474 0.3554992), wk = 0.0027548 k( 287) = ( 0.0833333 0.1443376 0.3554992), wk = 0.0027548 k( 288) = ( 0.0773810 0.1340277 0.3554992), wk = 0.0027548 k( 289) = ( 0.0714286 0.1237179 0.3554992), wk = 0.0027548 k( 290) = ( 0.0654762 0.1134081 0.3554992), wk = 0.0027548 k( 291) = ( 0.0595238 0.1030983 0.3554992), wk = 0.0027548 k( 292) = ( 0.0535714 0.0927884 0.3554992), wk = 0.0027548 k( 293) = ( 0.0476191 0.0824786 0.3554992), wk = 0.0027548 k( 294) = ( 0.0416667 0.0721688 0.3554992), wk = 0.0027548 k( 295) = ( 0.0357143 0.0618590 0.3554992), wk = 0.0027548 k( 296) = ( 0.0297619 0.0515491 0.3554992), wk = 0.0027548 k( 297) = ( 0.0238095 0.0412393 0.3554992), wk = 0.0027548 k( 298) = ( 0.0178571 0.0309295 0.3554992), wk = 0.0027548 k( 299) = ( 0.0119048 0.0206196 0.3554992), wk = 0.0027548 k( 300) = ( 0.0059524 0.0103098 0.3554992), wk = 0.0027548 k( 301) = ( 0.0000000 0.0000000 0.3554992), wk = 0.0027548 k( 302) = ( 0.5000000 0.2886751 0.3554992), wk = 0.0027548 k( 303) = ( 0.5000000 0.2886751 0.3436493), wk = 0.0027548 k( 304) = ( 0.5000000 0.2886751 0.3317993), wk = 0.0027548 k( 305) = ( 0.5000000 0.2886751 0.3199493), wk = 0.0027548 k( 306) = ( 0.5000000 0.2886751 0.3080993), wk = 0.0027548 k( 307) = ( 0.5000000 0.2886751 0.2962494), wk = 0.0027548 k( 308) = ( 0.5000000 0.2886751 0.2843994), wk = 0.0027548 k( 309) = ( 0.5000000 0.2886751 0.2725494), wk = 0.0027548 k( 310) = ( 0.5000000 0.2886751 0.2606995), wk = 0.0027548 k( 311) = ( 0.5000000 0.2886751 0.2488495), wk = 0.0027548 k( 312) = ( 0.5000000 0.2886751 0.2369995), wk = 0.0027548 k( 313) = ( 0.5000000 0.2886751 0.2251495), wk = 0.0027548 k( 314) = ( 0.5000000 0.2886751 0.2132995), wk = 0.0027548 k( 315) = ( 0.5000000 0.2886751 0.2014496), wk = 0.0027548 k( 316) = ( 0.5000000 0.2886751 0.1895996), wk = 0.0027548 k( 317) = ( 0.5000000 0.2886751 0.1777496), wk = 0.0027548 k( 318) = ( 0.5000000 0.2886751 0.1658996), wk = 0.0027548 k( 319) = ( 0.5000000 0.2886751 0.1540497), wk = 0.0027548 k( 320) = ( 0.5000000 0.2886751 0.1421997), wk = 0.0027548 k( 321) = ( 0.5000000 0.2886751 0.1303497), wk = 0.0027548 k( 322) = ( 0.5000000 0.2886751 0.1184998), wk = 0.0027548 k( 323) = ( 0.5000000 0.2886751 0.1066498), wk = 0.0027548 k( 324) = ( 0.5000000 0.2886751 0.0947998), wk = 0.0027548 k( 325) = ( 0.5000000 0.2886751 0.0829498), wk = 0.0027548 k( 326) = ( 0.5000000 0.2886751 0.0710998), wk = 0.0027548 k( 327) = ( 0.5000000 0.2886751 0.0592499), wk = 0.0027548 k( 328) = ( 0.5000000 0.2886751 0.0473999), wk = 0.0027548 k( 329) = ( 0.5000000 0.2886751 0.0355499), wk = 0.0027548 k( 330) = ( 0.5000000 0.2886751 0.0236999), wk = 0.0027548 k( 331) = ( 0.5000000 0.2886751 0.0118500), wk = 0.0027548 k( 332) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0027548 k( 333) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0027548 k( 334) = ( 0.3333333 0.5773503 0.0118500), wk = 0.0027548 k( 335) = ( 0.3333333 0.5773503 0.0236999), wk = 0.0027548 k( 336) = ( 0.3333333 0.5773503 0.0355499), wk = 0.0027548 k( 337) = ( 0.3333333 0.5773503 0.0473999), wk = 0.0027548 k( 338) = ( 0.3333333 0.5773503 0.0592499), wk = 0.0027548 k( 339) = ( 0.3333333 0.5773503 0.0710998), wk = 0.0027548 k( 340) = ( 0.3333333 0.5773503 0.0829498), wk = 0.0027548 k( 341) = ( 0.3333333 0.5773503 0.0947998), wk = 0.0027548 k( 342) = ( 0.3333333 0.5773503 0.1066498), wk = 0.0027548 k( 343) = ( 0.3333333 0.5773503 0.1184998), wk = 0.0027548 k( 344) = ( 0.3333333 0.5773503 0.1303497), wk = 0.0027548 k( 345) = ( 0.3333333 0.5773503 0.1421997), wk = 0.0027548 k( 346) = ( 0.3333333 0.5773503 0.1540497), wk = 0.0027548 k( 347) = ( 0.3333333 0.5773503 0.1658996), wk = 0.0027548 k( 348) = ( 0.3333333 0.5773503 0.1777496), wk = 0.0027548 k( 349) = ( 0.3333333 0.5773503 0.1895996), wk = 0.0027548 k( 350) = ( 0.3333333 0.5773503 0.2014496), wk = 0.0027548 k( 351) = ( 0.3333333 0.5773503 0.2132995), wk = 0.0027548 k( 352) = ( 0.3333333 0.5773503 0.2251495), wk = 0.0027548 k( 353) = ( 0.3333333 0.5773503 0.2369995), wk = 0.0027548 k( 354) = ( 0.3333333 0.5773503 0.2488495), wk = 0.0027548 k( 355) = ( 0.3333333 0.5773503 0.2606995), wk = 0.0027548 k( 356) = ( 0.3333333 0.5773503 0.2725494), wk = 0.0027548 k( 357) = ( 0.3333333 0.5773503 0.2843994), wk = 0.0027548 k( 358) = ( 0.3333333 0.5773503 0.2962494), wk = 0.0027548 k( 359) = ( 0.3333333 0.5773503 0.3080993), wk = 0.0027548 k( 360) = ( 0.3333333 0.5773503 0.3199493), wk = 0.0027548 k( 361) = ( 0.3333333 0.5773503 0.3317993), wk = 0.0027548 k( 362) = ( 0.3333333 0.5773503 0.3436493), wk = 0.0027548 k( 363) = ( 0.3333333 0.5773503 0.3554992), wk = 0.0027548 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027548 k( 2) = ( 0.0104167 0.0000000 -0.0000000), wk = 0.0027548 k( 3) = ( 0.0208333 0.0000000 0.0000000), wk = 0.0027548 k( 4) = ( 0.0312500 0.0000000 -0.0000000), wk = 0.0027548 k( 5) = ( 0.0416667 0.0000000 0.0000000), wk = 0.0027548 k( 6) = ( 0.0520833 0.0000000 0.0000000), wk = 0.0027548 k( 7) = ( 0.0625000 0.0000000 -0.0000000), wk = 0.0027548 k( 8) = ( 0.0729167 0.0000000 0.0000000), wk = 0.0027548 k( 9) = ( 0.0833333 0.0000000 0.0000000), wk = 0.0027548 k( 10) = ( 0.0937500 0.0000000 0.0000000), wk = 0.0027548 k( 11) = ( 0.1041667 0.0000000 0.0000000), wk = 0.0027548 k( 12) = ( 0.1145833 0.0000000 0.0000000), wk = 0.0027548 k( 13) = ( 0.1250000 0.0000000 -0.0000000), wk = 0.0027548 k( 14) = ( 0.1354167 0.0000000 0.0000000), wk = 0.0027548 k( 15) = ( 0.1458333 0.0000000 0.0000000), wk = 0.0027548 k( 16) = ( 0.1562500 0.0000000 0.0000000), wk = 0.0027548 k( 17) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0027548 k( 18) = ( 0.1770833 0.0000000 0.0000000), wk = 0.0027548 k( 19) = ( 0.1875000 0.0000000 0.0000000), wk = 0.0027548 k( 20) = ( 0.1979167 0.0000000 0.0000000), wk = 0.0027548 k( 21) = ( 0.2083333 0.0000000 0.0000000), wk = 0.0027548 k( 22) = ( 0.2187500 0.0000000 0.0000000), wk = 0.0027548 k( 23) = ( 0.2291667 0.0000000 0.0000000), wk = 0.0027548 k( 24) = ( 0.2395833 0.0000000 0.0000000), wk = 0.0027548 k( 25) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0027548 k( 26) = ( 0.2604167 0.0000000 0.0000000), wk = 0.0027548 k( 27) = ( 0.2708333 0.0000000 -0.0000000), wk = 0.0027548 k( 28) = ( 0.2812500 0.0000000 0.0000000), wk = 0.0027548 k( 29) = ( 0.2916667 0.0000000 0.0000000), wk = 0.0027548 k( 30) = ( 0.3020833 0.0000000 0.0000000), wk = 0.0027548 k( 31) = ( 0.3125000 0.0000000 0.0000000), wk = 0.0027548 k( 32) = ( 0.3229167 0.0000000 0.0000000), wk = 0.0027548 k( 33) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0027548 k( 34) = ( 0.3437500 0.0000000 0.0000000), wk = 0.0027548 k( 35) = ( 0.3541667 0.0000000 -0.0000000), wk = 0.0027548 k( 36) = ( 0.3645833 0.0000000 0.0000000), wk = 0.0027548 k( 37) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0027548 k( 38) = ( 0.3854167 0.0000000 -0.0000000), wk = 0.0027548 k( 39) = ( 0.3958333 0.0000000 0.0000000), wk = 0.0027548 k( 40) = ( 0.4062500 0.0000000 0.0000000), wk = 0.0027548 k( 41) = ( 0.4166667 0.0000000 0.0000000), wk = 0.0027548 k( 42) = ( 0.4270833 0.0000000 0.0000000), wk = 0.0027548 k( 43) = ( 0.4375000 0.0000000 0.0000000), wk = 0.0027548 k( 44) = ( 0.4479167 0.0000000 0.0000000), wk = 0.0027548 k( 45) = ( 0.4583333 0.0000000 0.0000000), wk = 0.0027548 k( 46) = ( 0.4687500 0.0000000 0.0000000), wk = 0.0027548 k( 47) = ( 0.4791667 0.0000000 0.0000000), wk = 0.0027548 k( 48) = ( 0.4895833 0.0000000 0.0000000), wk = 0.0027548 k( 49) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0027548 k( 50) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0027548 k( 51) = ( 0.4940476 0.0119048 0.0000000), wk = 0.0027548 k( 52) = ( 0.4880952 0.0238095 0.0000000), wk = 0.0027548 k( 53) = ( 0.4821429 0.0357143 0.0000000), wk = 0.0027548 k( 54) = ( 0.4761905 0.0476191 0.0000000), wk = 0.0027548 k( 55) = ( 0.4702381 0.0595238 0.0000000), wk = 0.0027548 k( 56) = ( 0.4642857 0.0714286 0.0000000), wk = 0.0027548 k( 57) = ( 0.4583333 0.0833333 0.0000000), wk = 0.0027548 k( 58) = ( 0.4523810 0.0952381 0.0000000), wk = 0.0027548 k( 59) = ( 0.4464286 0.1071429 0.0000000), wk = 0.0027548 k( 60) = ( 0.4404762 0.1190476 0.0000000), wk = 0.0027548 k( 61) = ( 0.4345238 0.1309524 0.0000000), wk = 0.0027548 k( 62) = ( 0.4285714 0.1428571 0.0000000), wk = 0.0027548 k( 63) = ( 0.4226190 0.1547619 0.0000000), wk = 0.0027548 k( 64) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0027548 k( 65) = ( 0.4107143 0.1785714 -0.0000000), wk = 0.0027548 k( 66) = ( 0.4047619 0.1904762 0.0000000), wk = 0.0027548 k( 67) = ( 0.3988095 0.2023810 0.0000000), wk = 0.0027548 k( 68) = ( 0.3928571 0.2142857 -0.0000000), wk = 0.0027548 k( 69) = ( 0.3869048 0.2261905 0.0000000), wk = 0.0027548 k( 70) = ( 0.3809524 0.2380952 0.0000000), wk = 0.0027548 k( 71) = ( 0.3750000 0.2500000 -0.0000000), wk = 0.0027548 k( 72) = ( 0.3690476 0.2619048 -0.0000000), wk = 0.0027548 k( 73) = ( 0.3630952 0.2738095 0.0000000), wk = 0.0027548 k( 74) = ( 0.3571429 0.2857143 0.0000000), wk = 0.0027548 k( 75) = ( 0.3511905 0.2976190 0.0000000), wk = 0.0027548 k( 76) = ( 0.3452381 0.3095238 0.0000000), wk = 0.0027548 k( 77) = ( 0.3392857 0.3214286 0.0000000), wk = 0.0027548 k( 78) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0027548 k( 79) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0027548 k( 80) = ( 0.3273810 0.3273809 -0.0000000), wk = 0.0027548 k( 81) = ( 0.3214286 0.3214286 0.0000000), wk = 0.0027548 k( 82) = ( 0.3154762 0.3154762 0.0000000), wk = 0.0027548 k( 83) = ( 0.3095238 0.3095238 0.0000000), wk = 0.0027548 k( 84) = ( 0.3035714 0.3035714 0.0000000), wk = 0.0027548 k( 85) = ( 0.2976190 0.2976190 0.0000000), wk = 0.0027548 k( 86) = ( 0.2916667 0.2916667 0.0000000), wk = 0.0027548 k( 87) = ( 0.2857143 0.2857143 0.0000000), wk = 0.0027548 k( 88) = ( 0.2797619 0.2797619 0.0000000), wk = 0.0027548 k( 89) = ( 0.2738095 0.2738095 0.0000000), wk = 0.0027548 k( 90) = ( 0.2678571 0.2678571 0.0000000), wk = 0.0027548 k( 91) = ( 0.2619048 0.2619048 0.0000000), wk = 0.0027548 k( 92) = ( 0.2559524 0.2559524 0.0000000), wk = 0.0027548 k( 93) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0027548 k( 94) = ( 0.2440476 0.2440476 0.0000000), wk = 0.0027548 k( 95) = ( 0.2380952 0.2380952 0.0000000), wk = 0.0027548 k( 96) = ( 0.2321429 0.2321429 0.0000000), wk = 0.0027548 k( 97) = ( 0.2261905 0.2261905 0.0000000), wk = 0.0027548 k( 98) = ( 0.2202381 0.2202381 0.0000000), wk = 0.0027548 k( 99) = ( 0.2142857 0.2142857 0.0000000), wk = 0.0027548 k( 100) = ( 0.2083333 0.2083333 0.0000000), wk = 0.0027548 k( 101) = ( 0.2023810 0.2023810 0.0000000), wk = 0.0027548 k( 102) = ( 0.1964286 0.1964286 -0.0000000), wk = 0.0027548 k( 103) = ( 0.1904762 0.1904762 0.0000000), wk = 0.0027548 k( 104) = ( 0.1845238 0.1845238 0.0000000), wk = 0.0027548 k( 105) = ( 0.1785714 0.1785714 -0.0000000), wk = 0.0027548 k( 106) = ( 0.1726190 0.1726190 0.0000000), wk = 0.0027548 k( 107) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0027548 k( 108) = ( 0.1607143 0.1607143 0.0000000), wk = 0.0027548 k( 109) = ( 0.1547619 0.1547619 -0.0000000), wk = 0.0027548 k( 110) = ( 0.1488095 0.1488095 0.0000000), wk = 0.0027548 k( 111) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0027548 k( 112) = ( 0.1369048 0.1369048 0.0000000), wk = 0.0027548 k( 113) = ( 0.1309524 0.1309524 0.0000000), wk = 0.0027548 k( 114) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0027548 k( 115) = ( 0.1190476 0.1190476 0.0000000), wk = 0.0027548 k( 116) = ( 0.1130952 0.1130952 0.0000000), wk = 0.0027548 k( 117) = ( 0.1071429 0.1071429 -0.0000000), wk = 0.0027548 k( 118) = ( 0.1011905 0.1011905 0.0000000), wk = 0.0027548 k( 119) = ( 0.0952381 0.0952381 0.0000000), wk = 0.0027548 k( 120) = ( 0.0892857 0.0892857 0.0000000), wk = 0.0027548 k( 121) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0027548 k( 122) = ( 0.0773810 0.0773810 -0.0000000), wk = 0.0027548 k( 123) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0027548 k( 124) = ( 0.0654762 0.0654762 0.0000000), wk = 0.0027548 k( 125) = ( 0.0595238 0.0595238 0.0000000), wk = 0.0027548 k( 126) = ( 0.0535714 0.0535714 -0.0000000), wk = 0.0027548 k( 127) = ( 0.0476191 0.0476191 0.0000000), wk = 0.0027548 k( 128) = ( 0.0416667 0.0416667 0.0000000), wk = 0.0027548 k( 129) = ( 0.0357143 0.0357143 -0.0000000), wk = 0.0027548 k( 130) = ( 0.0297619 0.0297619 0.0000000), wk = 0.0027548 k( 131) = ( 0.0238095 0.0238095 0.0000000), wk = 0.0027548 k( 132) = ( 0.0178571 0.0178571 0.0000000), wk = 0.0027548 k( 133) = ( 0.0119048 0.0119048 0.0000000), wk = 0.0027548 k( 134) = ( 0.0059524 0.0059524 0.0000000), wk = 0.0027548 k( 135) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027548 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027548 k( 137) = ( 0.0000000 0.0000000 0.0166667), wk = 0.0027548 k( 138) = ( 0.0000000 0.0000000 0.0333333), wk = 0.0027548 k( 139) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0027548 k( 140) = ( 0.0000000 0.0000000 0.0666667), wk = 0.0027548 k( 141) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0027548 k( 142) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0027548 k( 143) = ( 0.0000000 0.0000000 0.1166667), wk = 0.0027548 k( 144) = ( 0.0000000 0.0000000 0.1333333), wk = 0.0027548 k( 145) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0027548 k( 146) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0027548 k( 147) = ( 0.0000000 0.0000000 0.1833333), wk = 0.0027548 k( 148) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0027548 k( 149) = ( 0.0000000 0.0000000 0.2166667), wk = 0.0027548 k( 150) = ( 0.0000000 0.0000000 0.2333333), wk = 0.0027548 k( 151) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0027548 k( 152) = ( 0.0000000 0.0000000 0.2666667), wk = 0.0027548 k( 153) = ( 0.0000000 0.0000000 0.2833333), wk = 0.0027548 k( 154) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0027548 k( 155) = ( 0.0000000 0.0000000 0.3166667), wk = 0.0027548 k( 156) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0027548 k( 157) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0027548 k( 158) = ( 0.0000000 0.0000000 0.3666667), wk = 0.0027548 k( 159) = ( 0.0000000 0.0000000 0.3833333), wk = 0.0027548 k( 160) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0027548 k( 161) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0027548 k( 162) = ( 0.0000000 0.0000000 0.4333333), wk = 0.0027548 k( 163) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0027548 k( 164) = ( 0.0000000 0.0000000 0.4666667), wk = 0.0027548 k( 165) = ( 0.0000000 0.0000000 0.4833333), wk = 0.0027548 k( 166) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027548 k( 167) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027548 k( 168) = ( 0.0104167 0.0000000 0.5000000), wk = 0.0027548 k( 169) = ( 0.0208333 0.0000000 0.5000000), wk = 0.0027548 k( 170) = ( 0.0312500 0.0000000 0.5000000), wk = 0.0027548 k( 171) = ( 0.0416667 0.0000000 0.5000000), wk = 0.0027548 k( 172) = ( 0.0520833 0.0000000 0.5000000), wk = 0.0027548 k( 173) = ( 0.0625000 0.0000000 0.5000000), wk = 0.0027548 k( 174) = ( 0.0729167 0.0000000 0.5000000), wk = 0.0027548 k( 175) = ( 0.0833333 0.0000000 0.5000000), wk = 0.0027548 k( 176) = ( 0.0937500 0.0000000 0.5000000), wk = 0.0027548 k( 177) = ( 0.1041667 0.0000000 0.5000000), wk = 0.0027548 k( 178) = ( 0.1145833 0.0000000 0.5000000), wk = 0.0027548 k( 179) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0027548 k( 180) = ( 0.1354167 0.0000000 0.5000000), wk = 0.0027548 k( 181) = ( 0.1458333 0.0000000 0.5000000), wk = 0.0027548 k( 182) = ( 0.1562500 0.0000000 0.5000000), wk = 0.0027548 k( 183) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0027548 k( 184) = ( 0.1770833 0.0000000 0.5000000), wk = 0.0027548 k( 185) = ( 0.1875000 0.0000000 0.5000000), wk = 0.0027548 k( 186) = ( 0.1979167 0.0000000 0.5000000), wk = 0.0027548 k( 187) = ( 0.2083333 0.0000000 0.5000000), wk = 0.0027548 k( 188) = ( 0.2187500 0.0000000 0.5000000), wk = 0.0027548 k( 189) = ( 0.2291667 0.0000000 0.5000000), wk = 0.0027548 k( 190) = ( 0.2395833 0.0000000 0.5000000), wk = 0.0027548 k( 191) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0027548 k( 192) = ( 0.2604167 0.0000000 0.5000000), wk = 0.0027548 k( 193) = ( 0.2708333 0.0000000 0.5000000), wk = 0.0027548 k( 194) = ( 0.2812500 0.0000000 0.5000000), wk = 0.0027548 k( 195) = ( 0.2916667 0.0000000 0.5000000), wk = 0.0027548 k( 196) = ( 0.3020833 0.0000000 0.5000000), wk = 0.0027548 k( 197) = ( 0.3125000 0.0000000 0.5000000), wk = 0.0027548 k( 198) = ( 0.3229167 0.0000000 0.5000000), wk = 0.0027548 k( 199) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0027548 k( 200) = ( 0.3437500 0.0000000 0.5000000), wk = 0.0027548 k( 201) = ( 0.3541667 0.0000000 0.5000000), wk = 0.0027548 k( 202) = ( 0.3645833 0.0000000 0.5000000), wk = 0.0027548 k( 203) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0027548 k( 204) = ( 0.3854167 0.0000000 0.5000000), wk = 0.0027548 k( 205) = ( 0.3958333 0.0000000 0.5000000), wk = 0.0027548 k( 206) = ( 0.4062500 0.0000000 0.5000000), wk = 0.0027548 k( 207) = ( 0.4166667 0.0000000 0.5000000), wk = 0.0027548 k( 208) = ( 0.4270833 0.0000000 0.5000000), wk = 0.0027548 k( 209) = ( 0.4375000 0.0000000 0.5000000), wk = 0.0027548 k( 210) = ( 0.4479167 0.0000000 0.5000000), wk = 0.0027548 k( 211) = ( 0.4583333 0.0000000 0.5000000), wk = 0.0027548 k( 212) = ( 0.4687500 0.0000000 0.5000000), wk = 0.0027548 k( 213) = ( 0.4791667 0.0000000 0.5000000), wk = 0.0027548 k( 214) = ( 0.4895833 0.0000000 0.5000000), wk = 0.0027548 k( 215) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027548 k( 216) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027548 k( 217) = ( 0.4940476 0.0119048 0.5000000), wk = 0.0027548 k( 218) = ( 0.4880952 0.0238095 0.5000000), wk = 0.0027548 k( 219) = ( 0.4821429 0.0357143 0.5000000), wk = 0.0027548 k( 220) = ( 0.4761905 0.0476191 0.5000000), wk = 0.0027548 k( 221) = ( 0.4702381 0.0595238 0.5000000), wk = 0.0027548 k( 222) = ( 0.4642857 0.0714286 0.5000000), wk = 0.0027548 k( 223) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0027548 k( 224) = ( 0.4523810 0.0952381 0.5000000), wk = 0.0027548 k( 225) = ( 0.4464286 0.1071429 0.5000000), wk = 0.0027548 k( 226) = ( 0.4404762 0.1190476 0.5000000), wk = 0.0027548 k( 227) = ( 0.4345238 0.1309524 0.5000000), wk = 0.0027548 k( 228) = ( 0.4285714 0.1428571 0.5000000), wk = 0.0027548 k( 229) = ( 0.4226190 0.1547619 0.5000000), wk = 0.0027548 k( 230) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0027548 k( 231) = ( 0.4107143 0.1785714 0.5000000), wk = 0.0027548 k( 232) = ( 0.4047619 0.1904762 0.5000000), wk = 0.0027548 k( 233) = ( 0.3988095 0.2023810 0.5000000), wk = 0.0027548 k( 234) = ( 0.3928571 0.2142857 0.5000000), wk = 0.0027548 k( 235) = ( 0.3869048 0.2261905 0.5000000), wk = 0.0027548 k( 236) = ( 0.3809524 0.2380952 0.5000000), wk = 0.0027548 k( 237) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0027548 k( 238) = ( 0.3690476 0.2619048 0.5000000), wk = 0.0027548 k( 239) = ( 0.3630952 0.2738095 0.5000000), wk = 0.0027548 k( 240) = ( 0.3571429 0.2857143 0.5000000), wk = 0.0027548 k( 241) = ( 0.3511905 0.2976190 0.5000000), wk = 0.0027548 k( 242) = ( 0.3452381 0.3095238 0.5000000), wk = 0.0027548 k( 243) = ( 0.3392857 0.3214286 0.5000000), wk = 0.0027548 k( 244) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027548 k( 245) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027548 k( 246) = ( 0.3273810 0.3273809 0.5000000), wk = 0.0027548 k( 247) = ( 0.3214286 0.3214286 0.5000000), wk = 0.0027548 k( 248) = ( 0.3154762 0.3154762 0.5000000), wk = 0.0027548 k( 249) = ( 0.3095238 0.3095238 0.5000000), wk = 0.0027548 k( 250) = ( 0.3035714 0.3035714 0.5000000), wk = 0.0027548 k( 251) = ( 0.2976190 0.2976190 0.5000000), wk = 0.0027548 k( 252) = ( 0.2916667 0.2916667 0.5000000), wk = 0.0027548 k( 253) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0027548 k( 254) = ( 0.2797619 0.2797619 0.5000000), wk = 0.0027548 k( 255) = ( 0.2738095 0.2738095 0.5000000), wk = 0.0027548 k( 256) = ( 0.2678571 0.2678571 0.5000000), wk = 0.0027548 k( 257) = ( 0.2619048 0.2619048 0.5000000), wk = 0.0027548 k( 258) = ( 0.2559524 0.2559524 0.5000000), wk = 0.0027548 k( 259) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0027548 k( 260) = ( 0.2440476 0.2440476 0.5000000), wk = 0.0027548 k( 261) = ( 0.2380952 0.2380952 0.5000000), wk = 0.0027548 k( 262) = ( 0.2321429 0.2321429 0.5000000), wk = 0.0027548 k( 263) = ( 0.2261905 0.2261905 0.5000000), wk = 0.0027548 k( 264) = ( 0.2202381 0.2202381 0.5000000), wk = 0.0027548 k( 265) = ( 0.2142857 0.2142857 0.5000000), wk = 0.0027548 k( 266) = ( 0.2083333 0.2083333 0.5000000), wk = 0.0027548 k( 267) = ( 0.2023810 0.2023810 0.5000000), wk = 0.0027548 k( 268) = ( 0.1964286 0.1964286 0.5000000), wk = 0.0027548 k( 269) = ( 0.1904762 0.1904762 0.5000000), wk = 0.0027548 k( 270) = ( 0.1845238 0.1845238 0.5000000), wk = 0.0027548 k( 271) = ( 0.1785714 0.1785714 0.5000000), wk = 0.0027548 k( 272) = ( 0.1726190 0.1726190 0.5000000), wk = 0.0027548 k( 273) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0027548 k( 274) = ( 0.1607143 0.1607143 0.5000000), wk = 0.0027548 k( 275) = ( 0.1547619 0.1547619 0.5000000), wk = 0.0027548 k( 276) = ( 0.1488095 0.1488095 0.5000000), wk = 0.0027548 k( 277) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0027548 k( 278) = ( 0.1369048 0.1369048 0.5000000), wk = 0.0027548 k( 279) = ( 0.1309524 0.1309524 0.5000000), wk = 0.0027548 k( 280) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0027548 k( 281) = ( 0.1190476 0.1190476 0.5000000), wk = 0.0027548 k( 282) = ( 0.1130952 0.1130952 0.5000000), wk = 0.0027548 k( 283) = ( 0.1071429 0.1071429 0.5000000), wk = 0.0027548 k( 284) = ( 0.1011905 0.1011905 0.5000000), wk = 0.0027548 k( 285) = ( 0.0952381 0.0952381 0.5000000), wk = 0.0027548 k( 286) = ( 0.0892857 0.0892857 0.5000000), wk = 0.0027548 k( 287) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0027548 k( 288) = ( 0.0773810 0.0773810 0.5000000), wk = 0.0027548 k( 289) = ( 0.0714286 0.0714286 0.5000000), wk = 0.0027548 k( 290) = ( 0.0654762 0.0654762 0.5000000), wk = 0.0027548 k( 291) = ( 0.0595238 0.0595238 0.5000000), wk = 0.0027548 k( 292) = ( 0.0535714 0.0535714 0.5000000), wk = 0.0027548 k( 293) = ( 0.0476191 0.0476191 0.5000000), wk = 0.0027548 k( 294) = ( 0.0416667 0.0416667 0.5000000), wk = 0.0027548 k( 295) = ( 0.0357143 0.0357143 0.5000000), wk = 0.0027548 k( 296) = ( 0.0297619 0.0297619 0.5000000), wk = 0.0027548 k( 297) = ( 0.0238095 0.0238095 0.5000000), wk = 0.0027548 k( 298) = ( 0.0178571 0.0178571 0.5000000), wk = 0.0027548 k( 299) = ( 0.0119048 0.0119048 0.5000000), wk = 0.0027548 k( 300) = ( 0.0059524 0.0059524 0.5000000), wk = 0.0027548 k( 301) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027548 k( 302) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027548 k( 303) = ( 0.5000000 0.0000000 0.4833333), wk = 0.0027548 k( 304) = ( 0.5000000 0.0000000 0.4666667), wk = 0.0027548 k( 305) = ( 0.5000000 0.0000000 0.4500000), wk = 0.0027548 k( 306) = ( 0.5000000 0.0000000 0.4333333), wk = 0.0027548 k( 307) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0027548 k( 308) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0027548 k( 309) = ( 0.5000000 0.0000000 0.3833333), wk = 0.0027548 k( 310) = ( 0.5000000 0.0000000 0.3666667), wk = 0.0027548 k( 311) = ( 0.5000000 0.0000000 0.3500000), wk = 0.0027548 k( 312) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0027548 k( 313) = ( 0.5000000 0.0000000 0.3166667), wk = 0.0027548 k( 314) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0027548 k( 315) = ( 0.5000000 0.0000000 0.2833333), wk = 0.0027548 k( 316) = ( 0.5000000 0.0000000 0.2666667), wk = 0.0027548 k( 317) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0027548 k( 318) = ( 0.5000000 0.0000000 0.2333333), wk = 0.0027548 k( 319) = ( 0.5000000 0.0000000 0.2166667), wk = 0.0027548 k( 320) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0027548 k( 321) = ( 0.5000000 0.0000000 0.1833333), wk = 0.0027548 k( 322) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0027548 k( 323) = ( 0.5000000 0.0000000 0.1500000), wk = 0.0027548 k( 324) = ( 0.5000000 0.0000000 0.1333333), wk = 0.0027548 k( 325) = ( 0.5000000 0.0000000 0.1166667), wk = 0.0027548 k( 326) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0027548 k( 327) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0027548 k( 328) = ( 0.5000000 0.0000000 0.0666667), wk = 0.0027548 k( 329) = ( 0.5000000 0.0000000 0.0500000), wk = 0.0027548 k( 330) = ( 0.5000000 0.0000000 0.0333333), wk = 0.0027548 k( 331) = ( 0.5000000 0.0000000 0.0166667), wk = 0.0027548 k( 332) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0027548 k( 333) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0027548 k( 334) = ( 0.3333333 0.3333333 0.0166667), wk = 0.0027548 k( 335) = ( 0.3333333 0.3333333 0.0333333), wk = 0.0027548 k( 336) = ( 0.3333333 0.3333333 0.0500000), wk = 0.0027548 k( 337) = ( 0.3333333 0.3333333 0.0666667), wk = 0.0027548 k( 338) = ( 0.3333333 0.3333333 0.0833333), wk = 0.0027548 k( 339) = ( 0.3333333 0.3333333 0.1000000), wk = 0.0027548 k( 340) = ( 0.3333333 0.3333333 0.1166667), wk = 0.0027548 k( 341) = ( 0.3333333 0.3333333 0.1333333), wk = 0.0027548 k( 342) = ( 0.3333333 0.3333333 0.1500000), wk = 0.0027548 k( 343) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0027548 k( 344) = ( 0.3333333 0.3333333 0.1833333), wk = 0.0027548 k( 345) = ( 0.3333333 0.3333333 0.2000000), wk = 0.0027548 k( 346) = ( 0.3333333 0.3333333 0.2166667), wk = 0.0027548 k( 347) = ( 0.3333333 0.3333333 0.2333333), wk = 0.0027548 k( 348) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0027548 k( 349) = ( 0.3333333 0.3333333 0.2666667), wk = 0.0027548 k( 350) = ( 0.3333333 0.3333333 0.2833333), wk = 0.0027548 k( 351) = ( 0.3333333 0.3333333 0.3000000), wk = 0.0027548 k( 352) = ( 0.3333333 0.3333333 0.3166667), wk = 0.0027548 k( 353) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0027548 k( 354) = ( 0.3333333 0.3333333 0.3500000), wk = 0.0027548 k( 355) = ( 0.3333333 0.3333333 0.3666667), wk = 0.0027548 k( 356) = ( 0.3333333 0.3333333 0.3833333), wk = 0.0027548 k( 357) = ( 0.3333333 0.3333333 0.4000000), wk = 0.0027548 k( 358) = ( 0.3333333 0.3333333 0.4166667), wk = 0.0027548 k( 359) = ( 0.3333333 0.3333333 0.4333333), wk = 0.0027548 k( 360) = ( 0.3333333 0.3333333 0.4500000), wk = 0.0027548 k( 361) = ( 0.3333333 0.3333333 0.4666667), wk = 0.0027548 k( 362) = ( 0.3333333 0.3333333 0.4833333), wk = 0.0027548 k( 363) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027548 Dense grid: 62759 G-vectors FFT dimensions: ( 48, 48, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.16 Mb ( 342, 30) NL pseudopotentials 0.20 Mb ( 171, 76) Each V/rho on FFT grid 0.07 Mb ( 4608) Each G-vector array 0.01 Mb ( 1310) G-vector shells 0.00 Mb ( 630) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.63 Mb ( 342, 120) Each subspace H/S matrix 0.22 Mb ( 120, 120) Each matrix 0.07 Mb ( 76, 2, 30) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./LiAgC2.save/charge-density.dat Starting wfc are 44 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 42.4 secs Computing kpt #: 2 total cpu time spent up to now is 43.3 secs Computing kpt #: 3 total cpu time spent up to now is 44.1 secs Computing kpt #: 4 total cpu time spent up to now is 45.0 secs Computing kpt #: 5 total cpu time spent up to now is 45.9 secs Computing kpt #: 6 total cpu time spent up to now is 46.7 secs Computing kpt #: 7 total cpu time spent up to now is 47.5 secs Computing kpt #: 8 total cpu time spent up to now is 48.4 secs Computing kpt #: 9 total cpu time spent up to now is 49.2 secs Computing kpt #: 10 total cpu time spent up to now is 50.3 secs Computing kpt #: 11 total cpu time spent up to now is 51.2 secs Computing kpt #: 12 total cpu time spent up to now is 52.2 secs Computing kpt #: 13 total cpu time spent up to now is 53.1 secs Computing kpt #: 14 total cpu time spent up to now is 54.0 secs Computing kpt #: 15 total cpu time spent up to now is 54.8 secs Computing kpt #: 16 total cpu time spent up to now is 55.7 secs Computing kpt #: 17 total cpu time spent up to now is 56.7 secs Computing kpt #: 18 total cpu time spent up to now is 57.5 secs Computing kpt #: 19 total cpu time spent up to now is 58.4 secs Computing kpt #: 20 total cpu time spent up to now is 59.3 secs Computing kpt #: 21 total cpu time spent up to now is 60.1 secs Computing kpt #: 22 total cpu time spent up to now is 61.0 secs Computing kpt #: 23 total cpu time spent up to now is 61.9 secs Computing kpt #: 24 total cpu time spent up to now is 62.8 secs Computing kpt #: 25 total cpu time spent up to now is 63.7 secs Computing kpt #: 26 total cpu time spent up to now is 64.8 secs Computing kpt #: 27 total cpu time spent up to now is 66.0 secs Computing kpt #: 28 total cpu time spent up to now is 67.0 secs Computing kpt #: 29 total cpu time spent up to now is 68.0 secs Computing kpt #: 30 total cpu time spent up to now is 68.9 secs Computing kpt #: 31 total cpu time spent up to now is 69.9 secs Computing kpt #: 32 total cpu time spent up to now is 71.0 secs Computing kpt #: 33 total cpu time spent up to now is 71.9 secs Computing kpt #: 34 total cpu time spent up to now is 72.9 secs Computing kpt #: 35 total cpu time spent up to now is 73.9 secs Computing kpt #: 36 total cpu time spent up to now is 74.8 secs Computing kpt #: 37 total cpu time spent up to now is 75.8 secs Computing kpt #: 38 total cpu time spent up to now is 76.7 secs Computing kpt #: 39 total cpu time spent up to now is 77.7 secs Computing kpt #: 40 total cpu time spent up to now is 78.8 secs Computing kpt #: 41 total cpu time spent up to now is 79.7 secs Computing kpt #: 42 total cpu time spent up to now is 80.7 secs Computing kpt #: 43 total cpu time spent up to now is 81.7 secs Computing kpt #: 44 total cpu time spent up to now is 82.7 secs Computing kpt #: 45 total cpu time spent up to now is 83.6 secs Computing kpt #: 46 total cpu time spent up to now is 84.5 secs Computing kpt #: 47 total cpu time spent up to now is 85.4 secs Computing kpt #: 48 total cpu time spent up to now is 86.4 secs Computing kpt #: 49 total cpu time spent up to now is 87.3 secs Computing kpt #: 50 total cpu time spent up to now is 88.3 secs Computing kpt #: 51 total cpu time spent up to now is 89.5 secs Computing kpt #: 52 total cpu time spent up to now is 90.7 secs Computing kpt #: 53 total cpu time spent up to now is 92.1 secs Computing kpt #: 54 total cpu time spent up to now is 93.2 secs Computing kpt #: 55 total cpu time spent up to now is 94.2 secs Computing kpt #: 56 total cpu time spent up to now is 95.2 secs Computing kpt #: 57 total cpu time spent up to now is 96.1 secs Computing kpt #: 58 total cpu time spent up to now is 96.9 secs Computing kpt #: 59 total cpu time spent up to now is 97.8 secs Computing kpt #: 60 total cpu time spent up to now is 98.7 secs Computing kpt #: 61 total cpu time spent up to now is 99.6 secs Computing kpt #: 62 total cpu time spent up to now is 100.4 secs Computing kpt #: 63 total cpu time spent up to now is 101.3 secs Computing kpt #: 64 total cpu time spent up to now is 102.1 secs Computing kpt #: 65 total cpu time spent up to now is 102.8 secs Computing kpt 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spent up to now is 115.0 secs Computing kpt #: 82 total cpu time spent up to now is 115.7 secs Computing kpt #: 83 total cpu time spent up to now is 116.6 secs Computing kpt #: 84 total cpu time spent up to now is 117.3 secs Computing kpt #: 85 total cpu time spent up to now is 118.0 secs Computing kpt #: 86 total cpu time spent up to now is 118.7 secs Computing kpt #: 87 total cpu time spent up to now is 119.4 secs Computing kpt #: 88 total cpu time spent up to now is 120.2 secs Computing kpt #: 89 total cpu time spent up to now is 120.9 secs Computing kpt #: 90 total cpu time spent up to now is 121.6 secs Computing kpt #: 91 total cpu time spent up to now is 122.4 secs Computing kpt #: 92 total cpu time spent up to now is 123.3 secs Computing kpt #: 93 total cpu time spent up to now is 124.1 secs Computing kpt #: 94 total cpu time spent up to now is 124.8 secs Computing kpt #: 95 total cpu time spent up to now is 125.6 secs Computing kpt #: 96 total cpu time spent up to now is 126.4 secs Computing kpt #: 97 total cpu time spent up to now is 127.2 secs Computing kpt #: 98 total cpu time spent up to now is 128.1 secs Computing kpt #: 99 total cpu time spent up to now is 129.0 secs Computing kpt #: 100 total cpu time spent up to now is 129.9 secs Computing kpt #: 101 total cpu time spent up to now is 130.8 secs Computing kpt #: 102 total cpu time spent up to now is 131.8 secs Computing kpt #: 103 total cpu time spent up to now is 132.9 secs Computing kpt #: 104 total cpu time spent up to now is 133.9 secs Computing kpt #: 105 total cpu time spent up to now is 134.9 secs Computing kpt #: 106 total cpu time spent up to now is 135.8 secs Computing kpt #: 107 total cpu time spent up to now is 136.8 secs Computing kpt #: 108 total cpu time spent up to now is 137.8 secs Computing kpt #: 109 total cpu time spent up to now is 138.7 secs Computing kpt #: 110 total cpu time spent up to now is 139.6 secs Computing kpt #: 111 total cpu time spent up to now is 140.6 secs Computing kpt #: 112 total cpu time spent up to now is 141.5 secs Computing kpt #: 113 total cpu time spent up to now is 142.4 secs Computing kpt #: 114 total cpu time spent up to now is 143.3 secs Computing kpt #: 115 total cpu time spent up to now is 144.1 secs Computing kpt #: 116 total cpu time spent up to now is 145.0 secs Computing kpt #: 117 total cpu time spent up to now is 145.9 secs Computing kpt #: 118 total cpu time spent up to now is 146.8 secs Computing kpt #: 119 total cpu time spent up to now is 147.7 secs Computing kpt #: 120 total cpu time spent up to now is 148.6 secs Computing kpt #: 121 total cpu time spent up to now is 149.5 secs Computing kpt #: 122 total cpu time spent up to now is 150.3 secs Computing kpt #: 123 total cpu time spent up to now is 151.2 secs Computing kpt #: 124 total cpu time spent up to now is 152.0 secs Computing kpt #: 125 total cpu time spent up to now is 152.8 secs Computing kpt #: 126 total cpu time spent up to now is 153.6 secs Computing kpt #: 127 total cpu time spent up to now is 154.4 secs Computing kpt #: 128 total cpu time spent up to now is 155.2 secs Computing kpt #: 129 total cpu time spent up to now is 156.2 secs Computing kpt #: 130 total cpu time spent up to now is 157.1 secs Computing kpt #: 131 total cpu time spent up to now is 158.1 secs Computing kpt #: 132 total cpu time spent up to now is 158.9 secs Computing kpt #: 133 total cpu time spent up to now is 159.7 secs Computing kpt #: 134 total cpu time spent up to now is 160.5 secs Computing kpt #: 135 total cpu time spent up to now is 161.4 secs Computing kpt #: 136 total cpu time spent up to now is 162.2 secs Computing kpt #: 137 total cpu time spent up to now is 163.1 secs Computing kpt #: 138 total cpu time spent up to now is 164.1 secs Computing kpt #: 139 total cpu time spent up to now is 165.1 secs Computing kpt #: 140 total cpu time spent up to now is 165.9 secs Computing kpt #: 141 total cpu time spent up to now is 166.8 secs Computing kpt #: 142 total cpu time spent up to now is 167.6 secs Computing kpt #: 143 total cpu time spent up to now is 168.4 secs Computing kpt #: 144 total cpu time spent up to now is 169.2 secs Computing kpt #: 145 total cpu time spent up to now is 170.0 secs Computing kpt #: 146 total cpu time spent up to now is 170.8 secs Computing kpt #: 147 total cpu time spent up to now is 171.6 secs Computing kpt #: 148 total cpu time spent up to now is 172.3 secs Computing kpt #: 149 total cpu time spent up to now is 173.0 secs Computing kpt #: 150 total cpu time spent up to now is 173.8 secs Computing kpt #: 151 total cpu time spent up to now is 174.5 secs Computing kpt #: 152 total cpu time spent up to now is 175.2 secs Computing kpt #: 153 total cpu time spent up to now is 176.0 secs Computing kpt #: 154 total cpu time spent up to now is 176.7 secs Computing kpt #: 155 total cpu time spent up to now is 177.5 secs Computing kpt #: 156 total cpu time spent up to now is 178.2 secs Computing kpt #: 157 total cpu time spent up to now is 178.9 secs Computing kpt #: 158 total cpu time spent up to now is 179.6 secs Computing kpt #: 159 total cpu time spent up to now is 180.3 secs Computing kpt #: 160 total cpu time spent up to now is 181.0 secs Computing kpt #: 161 total cpu time spent up to now is 181.8 secs Computing kpt #: 162 total cpu time spent up to now is 182.6 secs Computing kpt #: 163 total cpu time spent up to now is 183.3 secs Computing kpt #: 164 total cpu time spent up to now is 183.9 secs Computing kpt #: 165 total cpu time spent up to now is 184.6 secs Computing kpt #: 166 total cpu time spent up to now is 185.2 secs Computing kpt #: 167 total cpu time spent up to now is 185.9 secs Computing kpt #: 168 total cpu time spent up to now is 186.5 secs Computing kpt #: 169 total cpu time spent up to now is 187.2 secs Computing kpt #: 170 total cpu time spent up to now is 187.9 secs Computing kpt #: 171 total cpu time spent up to now is 188.6 secs Computing kpt #: 172 total cpu time spent up to now is 189.4 secs Computing kpt #: 173 total cpu time spent up to now is 190.1 secs Computing kpt #: 174 total cpu time spent up to now is 190.8 secs Computing kpt #: 175 total cpu time spent up to now is 191.9 secs Computing kpt #: 176 total cpu time spent up to now is 192.6 secs Computing kpt #: 177 total cpu time spent up to now is 193.4 secs Computing kpt #: 178 total cpu time spent up to now is 194.2 secs Computing kpt #: 179 total cpu time spent up to now is 195.0 secs Computing kpt #: 180 total cpu time spent up to now is 195.7 secs Computing kpt #: 181 total cpu time spent up to now is 196.4 secs Computing kpt #: 182 total cpu time spent up to now is 197.2 secs Computing kpt #: 183 total cpu time spent up to now is 198.0 secs Computing kpt #: 184 total cpu time spent up to now is 198.7 secs Computing kpt #: 185 total cpu time spent up to now is 199.4 secs Computing kpt #: 186 total cpu time spent up to now is 200.3 secs Computing kpt #: 187 total cpu time spent up to now is 201.1 secs Computing kpt #: 188 total cpu time spent up to now is 201.8 secs Computing kpt #: 189 total cpu time spent up to now is 202.5 secs Computing kpt #: 190 total cpu time spent up to now is 203.3 secs Computing kpt #: 191 total cpu time spent up to now is 204.0 secs Computing kpt #: 192 total cpu time spent up to now is 204.8 secs Computing kpt #: 193 total cpu time spent up to now is 205.5 secs Computing kpt #: 194 total cpu time spent up to now is 206.4 secs Computing kpt #: 195 total cpu time spent up to now is 207.2 secs Computing kpt #: 196 total cpu time spent up to now is 208.0 secs Computing kpt #: 197 total cpu time spent up to now is 208.8 secs Computing kpt #: 198 total cpu time spent up to now is 209.6 secs Computing kpt #: 199 total cpu time spent up to now is 210.4 secs Computing kpt #: 200 total cpu time spent up to now is 211.3 secs Computing kpt #: 201 total cpu time spent up to now is 212.2 secs Computing kpt #: 202 total cpu time spent up to now is 213.2 secs Computing kpt #: 203 total cpu time spent up to now is 214.1 secs Computing kpt #: 204 total cpu time spent up to now is 215.0 secs Computing kpt #: 205 total cpu time spent up to now is 215.9 secs Computing kpt #: 206 total cpu time spent up to now is 216.9 secs Computing kpt #: 207 total cpu time spent up to now is 217.9 secs Computing kpt #: 208 total cpu time spent up to now is 218.9 secs Computing kpt #: 209 total cpu time spent up to now is 219.7 secs Computing kpt #: 210 total cpu time spent up to now is 220.6 secs Computing kpt #: 211 total cpu time spent up to now is 221.5 secs Computing kpt #: 212 total cpu time spent up to now is 222.2 secs Computing kpt #: 213 total cpu time spent up to now is 223.0 secs Computing kpt #: 214 total cpu time spent up to now is 223.8 secs Computing kpt #: 215 total cpu time spent up to now is 224.7 secs Computing kpt #: 216 total cpu time spent up to now is 225.4 secs Computing kpt #: 217 total cpu time spent up to now is 226.2 secs Computing kpt #: 218 total cpu time spent up to now is 226.9 secs Computing kpt #: 219 total cpu time spent up to now is 227.6 secs Computing kpt #: 220 total cpu time spent up to now is 228.4 secs Computing kpt #: 221 total cpu time spent up to now is 229.4 secs Computing kpt #: 222 total cpu time spent up to now is 230.8 secs Computing kpt #: 223 total cpu time spent up to now is 231.6 secs Computing kpt #: 224 total cpu time spent up to now is 232.6 secs Computing kpt #: 225 total cpu time spent up to now is 233.4 secs Computing kpt #: 226 total cpu time spent up to now is 234.1 secs Computing kpt #: 227 total cpu time spent up to now is 234.9 secs Computing kpt #: 228 total cpu time spent up to now is 235.7 secs Computing kpt #: 229 total cpu time spent up to now is 236.5 secs Computing kpt #: 230 total cpu time spent up to now is 237.4 secs Computing kpt #: 231 total cpu time spent up to now is 238.1 secs Computing kpt #: 232 total cpu time spent up to now is 238.9 secs Computing kpt #: 233 total cpu time spent up to now is 239.9 secs Computing kpt #: 234 total cpu time spent up to now is 240.7 secs Computing kpt #: 235 total cpu time spent up to now is 242.0 secs Computing kpt #: 236 total cpu time spent up to now is 243.0 secs Computing kpt #: 237 total cpu time spent up to now is 243.9 secs Computing kpt #: 238 total cpu time spent up to now is 244.8 secs Computing kpt #: 239 total cpu time spent up to now is 245.7 secs Computing kpt #: 240 total cpu time spent up to now is 246.6 secs Computing kpt #: 241 total cpu time spent up to now is 247.6 secs Computing kpt #: 242 total cpu time spent up to now is 248.6 secs Computing kpt #: 243 total cpu time spent up to now is 250.0 secs Computing kpt #: 244 total cpu time spent up to now is 251.3 secs Computing kpt #: 245 total cpu time spent up to now is 252.6 secs Computing kpt #: 246 total cpu time spent up to now is 253.9 secs Computing kpt #: 247 total cpu time spent up to now is 254.8 secs Computing kpt #: 248 total cpu time spent up to now is 255.7 secs Computing kpt #: 249 total cpu time spent up to now is 256.7 secs Computing kpt #: 250 total cpu time spent up to now is 257.7 secs Computing kpt #: 251 total cpu time spent up to now is 258.6 secs Computing kpt #: 252 total cpu time spent up to now is 259.6 secs Computing kpt #: 253 total cpu time spent up to now is 260.6 secs Computing kpt #: 254 total cpu time spent up to now is 261.6 secs Computing kpt #: 255 total cpu time spent up to now is 262.6 secs Computing kpt #: 256 total cpu time spent up to now is 263.7 secs Computing kpt #: 257 total cpu time spent up to now is 265.2 secs Computing kpt #: 258 total cpu time spent up to now is 266.8 secs Computing kpt #: 259 total cpu time spent up to now is 267.9 secs Computing kpt #: 260 total cpu time spent up to now is 268.8 secs Computing kpt #: 261 total cpu time spent up to now is 269.7 secs Computing kpt #: 262 total cpu time spent up to now is 270.6 secs Computing kpt #: 263 total cpu 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up to now is 284.7 secs Computing kpt #: 279 total cpu time spent up to now is 285.6 secs Computing kpt #: 280 total cpu time spent up to now is 286.4 secs Computing kpt #: 281 total cpu time spent up to now is 287.1 secs Computing kpt #: 282 total cpu time spent up to now is 287.9 secs Computing kpt #: 283 total cpu time spent up to now is 288.7 secs Computing kpt #: 284 total cpu time spent up to now is 289.4 secs Computing kpt #: 285 total cpu time spent up to now is 290.2 secs Computing kpt #: 286 total cpu time spent up to now is 291.0 secs Computing kpt #: 287 total cpu time spent up to now is 291.8 secs Computing kpt #: 288 total cpu time spent up to now is 292.5 secs Computing kpt #: 289 total cpu time spent up to now is 293.2 secs Computing kpt #: 290 total cpu time spent up to now is 293.9 secs Computing kpt #: 291 total cpu time spent up to now is 294.6 secs Computing kpt #: 292 total cpu time spent up to now is 295.3 secs Computing kpt #: 293 total cpu time spent up to now is 296.0 secs Computing kpt #: 294 total cpu time spent up to now is 296.8 secs Computing kpt #: 295 total cpu time spent up to now is 297.6 secs Computing kpt #: 296 total cpu time spent up to now is 298.3 secs Computing kpt #: 297 total cpu time spent up to now is 299.0 secs Computing kpt #: 298 total cpu time spent up to now is 299.6 secs Computing kpt #: 299 total cpu time spent up to now is 300.3 secs Computing kpt #: 300 total cpu time spent up to now is 301.0 secs Computing kpt #: 301 total cpu time spent up to now is 301.6 secs Computing kpt #: 302 total cpu time spent up to now is 302.4 secs Computing kpt #: 303 total cpu time spent up to now is 303.2 secs Computing kpt #: 304 total cpu time spent up to now is 303.9 secs Computing kpt #: 305 total cpu time spent up to now is 304.7 secs Computing kpt #: 306 total cpu time spent up to now is 305.5 secs Computing kpt #: 307 total cpu time spent up to now is 306.2 secs Computing kpt #: 308 total cpu time spent up to now is 307.0 secs Computing kpt #: 309 total cpu time spent up to now is 307.8 secs Computing kpt #: 310 total cpu time spent up to now is 308.7 secs Computing kpt #: 311 total cpu time spent up to now is 309.4 secs Computing kpt #: 312 total cpu time spent up to now is 310.2 secs Computing kpt #: 313 total cpu time spent up to now is 310.9 secs Computing kpt #: 314 total cpu time spent up to now is 311.7 secs Computing kpt #: 315 total cpu time spent up to now is 312.5 secs Computing kpt #: 316 total cpu time spent up to now is 313.3 secs Computing kpt #: 317 total cpu time spent up to now is 314.2 secs Computing kpt #: 318 total cpu time spent up to now is 315.1 secs Computing kpt #: 319 total cpu time spent up to now is 316.0 secs Computing kpt #: 320 total cpu time spent up to now is 317.0 secs Computing kpt #: 321 total cpu time spent up to now is 318.0 secs Computing kpt #: 322 total cpu time spent up to now is 318.9 secs Computing kpt #: 323 total cpu time spent up to now is 319.8 secs Computing kpt #: 324 total cpu time spent up to now is 320.8 secs Computing kpt #: 325 total cpu time spent up to now is 321.7 secs Computing kpt #: 326 total cpu time spent up to now is 322.6 secs Computing kpt #: 327 total cpu time spent up to now is 323.6 secs Computing kpt #: 328 total cpu time spent up to now is 324.5 secs Computing kpt #: 329 total cpu time spent up to now is 325.4 secs Computing kpt #: 330 total cpu time spent up to now is 326.3 secs Computing kpt #: 331 total cpu time spent up to now is 327.2 secs Computing kpt #: 332 total cpu time spent up to now is 328.2 secs Computing kpt #: 333 total cpu time spent up to now is 328.9 secs Computing kpt #: 334 total cpu time spent up to now is 329.6 secs Computing kpt #: 335 total cpu time spent up to now is 330.3 secs Computing kpt #: 336 total cpu time spent up to now is 331.0 secs Computing kpt #: 337 total cpu time spent up to now is 331.7 secs Computing kpt #: 338 total cpu time spent up to now is 332.5 secs Computing kpt #: 339 total cpu time spent up to now is 333.3 secs Computing kpt #: 340 total cpu time spent up to now is 334.0 secs Computing kpt #: 341 total cpu time spent up to now is 334.7 secs Computing kpt #: 342 total cpu time spent up to now is 335.5 secs Computing kpt #: 343 total cpu time spent up to now is 336.2 secs Computing kpt #: 344 total cpu time spent up to now is 336.9 secs Computing kpt #: 345 total cpu time spent up to now is 337.7 secs Computing kpt #: 346 total cpu time spent up to now is 338.5 secs Computing kpt #: 347 total cpu time spent up to now is 339.3 secs Computing kpt #: 348 total cpu time spent up to now is 340.1 secs Computing kpt #: 349 total cpu time spent up to now is 340.8 secs Computing kpt #: 350 total cpu time spent up to now is 341.6 secs Computing kpt #: 351 total cpu time spent up to now is 342.5 secs Computing kpt #: 352 total cpu time spent up to now is 343.5 secs Computing kpt #: 353 total cpu time spent up to now is 344.4 secs Computing kpt #: 354 total cpu time spent up to now is 345.4 secs Computing kpt #: 355 total cpu time spent up to now is 346.3 secs Computing kpt #: 356 total cpu time spent up to now is 347.7 secs Computing kpt #: 357 total cpu time spent up to now is 348.6 secs Computing kpt #: 358 total cpu time spent up to now is 349.8 secs Computing kpt #: 359 total cpu time spent up to now is 351.1 secs Computing kpt #: 360 total cpu time spent up to now is 352.1 secs Computing kpt #: 361 total cpu time spent up to now is 353.0 secs Computing kpt #: 362 total cpu time spent up to now is 354.2 secs Computing kpt #: 363 total cpu time spent up to now is 355.4 secs ethr = 4.55E-11, avg # of iterations = 21.2 total cpu time spent up to now is 355.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7875 PWs) bands (ev): -41.3163 -41.3163 -10.0637 -10.0637 -2.6218 -2.6218 -2.0914 -2.0914 -0.3006 -0.3006 -0.2932 -0.2932 0.1491 0.1491 0.3635 0.3635 0.4268 0.4268 1.5036 1.5036 1.5159 1.5159 9.1829 9.1829 9.4569 9.4569 9.4830 9.4830 10.5786 10.5786 k = 0.0104 0.0060-0.0000 ( 7877 PWs) bands (ev): -41.3163 -41.3163 -10.0635 -10.0635 -2.6217 -2.6217 -2.0909 -2.0909 -0.3007 -0.3007 -0.2933 -0.2933 0.1491 0.1491 0.3635 0.3635 0.4273 0.4273 1.5030 1.5030 1.5153 1.5153 9.1826 9.1826 9.4535 9.4535 9.4801 9.4801 10.5785 10.5785 k = 0.0208 0.0120-0.0000 ( 7890 PWs) bands (ev): -41.3163 -41.3163 -10.0630 -10.0630 -2.6214 -2.6214 -2.0895 -2.0895 -0.3010 -0.3010 -0.2933 -0.2933 0.1489 0.1489 0.3638 0.3638 0.4286 0.4286 1.5013 1.5013 1.5135 1.5135 9.1817 9.1817 9.4408 9.4408 9.4741 9.4741 10.5782 10.5782 k = 0.0312 0.0180-0.0000 ( 7896 PWs) bands (ev): -41.3163 -41.3163 -10.0621 -10.0621 -2.6211 -2.6211 -2.0870 -2.0870 -0.3016 -0.3016 -0.2935 -0.2935 0.1486 0.1486 0.3641 0.3641 0.4309 0.4309 1.4985 1.4985 1.5107 1.5107 9.1800 9.1800 9.4158 9.4158 9.4690 9.4690 10.5778 10.5778 k = 0.0417 0.0241-0.0000 ( 7890 PWs) bands (ev): -41.3163 -41.3163 -10.0609 -10.0609 -2.6205 -2.6205 -2.0836 -2.0836 -0.3024 -0.3024 -0.2936 -0.2936 0.1482 0.1482 0.3646 0.3646 0.4339 0.4339 1.4946 1.4946 1.5068 1.5068 9.1772 9.1772 9.3800 9.3800 9.4644 9.4644 10.5774 10.5774 k = 0.0521 0.0301-0.0000 ( 7894 PWs) bands (ev): -41.3163 -41.3163 -10.0593 -10.0593 -2.6198 -2.6198 -2.0793 -2.0793 -0.3034 -0.3034 -0.2939 -0.2939 0.1476 0.1476 0.3652 0.3652 0.4378 0.4378 1.4898 1.4898 1.5019 1.5019 9.1727 9.1727 9.3360 9.3360 9.4597 9.4597 10.5770 10.5770 k = 0.0625 0.0361-0.0000 ( 7900 PWs) bands (ev): -41.3163 -41.3163 -10.0574 -10.0574 -2.6190 -2.6190 -2.0740 -2.0740 -0.3047 -0.3047 -0.2942 -0.2942 0.1469 0.1469 0.3659 0.3659 0.4423 0.4423 1.4841 1.4841 1.4961 1.4961 9.1652 9.1652 9.2866 9.2866 9.4544 9.4544 10.5768 10.5768 k = 0.0729 0.0421-0.0000 ( 7888 PWs) bands (ev): -41.3163 -41.3163 -10.0552 -10.0552 -2.6180 -2.6180 -2.0678 -2.0678 -0.3062 -0.3062 -0.2946 -0.2946 0.1460 0.1460 0.3667 0.3667 0.4473 0.4473 1.4777 1.4777 1.4897 1.4897 9.1507 9.1507 9.2368 9.2368 9.4485 9.4485 10.5769 10.5769 k = 0.0833 0.0481-0.0000 ( 7888 PWs) bands (ev): -41.3162 -41.3162 -10.0527 -10.0527 -2.6169 -2.6169 -2.0606 -2.0606 -0.3080 -0.3080 -0.2951 -0.2951 0.1450 0.1450 0.3677 0.3677 0.4526 0.4526 1.4707 1.4707 1.4827 1.4827 9.1192 9.1192 9.1977 9.1977 9.4418 9.4418 10.5775 10.5775 k = 0.0938 0.0541-0.0000 ( 7884 PWs) bands (ev): -41.3162 -41.3162 -10.0499 -10.0499 -2.6156 -2.6156 -2.0525 -2.0525 -0.3101 -0.3101 -0.2956 -0.2956 0.1437 0.1437 0.3688 0.3688 0.4581 0.4581 1.4631 1.4631 1.4758 1.4758 9.0659 9.0659 9.1749 9.1749 9.4343 9.4343 10.5787 10.5787 k = 0.1042 0.0601-0.0000 ( 7876 PWs) bands (ev): -41.3162 -41.3162 -10.0467 -10.0467 -2.6142 -2.6142 -2.0436 -2.0436 -0.3125 -0.3125 -0.2963 -0.2963 0.1423 0.1423 0.3701 0.3701 0.4634 0.4634 1.4546 1.4546 1.4694 1.4694 9.0008 9.0008 9.1586 9.1586 9.4261 9.4261 10.5809 10.5809 k = 0.1146 0.0662-0.0000 ( 7876 PWs) bands (ev): -41.3162 -41.3162 -10.0433 -10.0433 -2.6127 -2.6127 -2.0338 -2.0338 -0.3153 -0.3153 -0.2970 -0.2970 0.1406 0.1406 0.3717 0.3717 0.4682 0.4682 1.4450 1.4450 1.4642 1.4642 8.9307 8.9307 9.1426 9.1426 9.4173 9.4173 10.5840 10.5840 k = 0.1250 0.0722-0.0000 ( 7880 PWs) bands (ev): -41.3161 -41.3161 -10.0396 -10.0396 -2.6110 -2.6110 -2.0231 -2.0231 -0.3184 -0.3184 -0.2979 -0.2979 0.1386 0.1386 0.3734 0.3734 0.4723 0.4723 1.4345 1.4345 1.4608 1.4608 8.8579 8.8579 9.1248 9.1248 9.4077 9.4077 10.5883 10.5883 k = 0.1354 0.0782-0.0000 ( 7890 PWs) bands (ev): -41.3161 -41.3161 -10.0357 -10.0357 -2.6092 -2.6092 -2.0116 -2.0116 -0.3219 -0.3219 -0.2989 -0.2989 0.1364 0.1364 0.3754 0.3754 0.4752 0.4752 1.4230 1.4230 1.4596 1.4596 8.7835 8.7835 9.1042 9.1042 9.3976 9.3976 10.5940 10.5940 k = 0.1458 0.0842-0.0000 ( 7888 PWs) bands (ev): -41.3161 -41.3161 -10.0315 -10.0315 -2.6074 -2.6074 -1.9994 -1.9994 -0.3257 -0.3257 -0.3000 -0.3000 0.1340 0.1340 0.3777 0.3777 0.4767 0.4767 1.4107 1.4107 1.4609 1.4609 8.7082 8.7082 9.0801 9.0801 9.3868 9.3868 10.6010 10.6010 k = 0.1562 0.0902-0.0000 ( 7892 PWs) bands (ev): -41.3160 -41.3160 -10.0271 -10.0271 -2.6054 -2.6054 -1.9863 -1.9863 -0.3299 -0.3299 -0.3012 -0.3012 0.1312 0.1312 0.3803 0.3803 0.4765 0.4765 1.3977 1.3977 1.4651 1.4651 8.6325 8.6325 9.0521 9.0521 9.3756 9.3756 10.6096 10.6096 k = 0.1667 0.0962-0.0000 ( 7890 PWs) bands (ev): -41.3160 -41.3160 -10.0224 -10.0224 -2.6033 -2.6033 -1.9726 -1.9726 -0.3346 -0.3346 -0.3025 -0.3025 0.1281 0.1281 0.3831 0.3831 0.4743 0.4743 1.3842 1.3842 1.4727 1.4727 8.5569 8.5569 9.0198 9.0198 9.3639 9.3639 10.6197 10.6197 k = 0.1771 0.1022-0.0000 ( 7880 PWs) bands (ev): -41.3159 -41.3159 -10.0176 -10.0176 -2.6011 -2.6011 -1.9581 -1.9581 -0.3396 -0.3396 -0.3040 -0.3040 0.1248 0.1248 0.3860 0.3860 0.4701 0.4701 1.3701 1.3701 1.4839 1.4839 8.4816 8.4816 8.9830 8.9830 9.3518 9.3518 10.6312 10.6312 k = 0.1875 0.1083-0.0000 ( 7876 PWs) bands (ev): -41.3159 -41.3159 -10.0126 -10.0126 -2.5989 -2.5989 -1.9430 -1.9430 -0.3451 -0.3451 -0.3055 -0.3055 0.1212 0.1212 0.3888 0.3888 0.4638 0.4638 1.3556 1.3556 1.4990 1.4990 8.4068 8.4068 8.9414 8.9414 9.3393 9.3393 10.6442 10.6442 k = 0.1979 0.1143-0.0000 ( 7884 PWs) bands (ev): -41.3159 -41.3159 -10.0075 -10.0075 -2.5965 -2.5965 -1.9273 -1.9273 -0.3509 -0.3509 -0.3071 -0.3071 0.1173 0.1173 0.3910 0.3910 0.4560 0.4560 1.3407 1.3407 1.5180 1.5180 8.3329 8.3329 8.8949 8.8949 9.3267 9.3267 10.6584 10.6584 k = 0.2083 0.1203-0.0000 ( 7882 PWs) bands (ev): -41.3158 -41.3158 -10.0022 -10.0022 -2.5942 -2.5942 -1.9110 -1.9110 -0.3572 -0.3572 -0.3089 -0.3089 0.1132 0.1132 0.3919 0.3919 0.4475 0.4475 1.3256 1.3256 1.5412 1.5412 8.2600 8.2600 8.8434 8.8434 9.3138 9.3138 10.6737 10.6737 k = 0.2188 0.1263-0.0000 ( 7884 PWs) bands (ev): -41.3158 -41.3158 -9.9968 -9.9968 -2.5917 -2.5917 -1.8941 -1.8941 -0.3638 -0.3638 -0.3107 -0.3107 0.1088 0.1088 0.3894 0.3894 0.4403 0.4403 1.3102 1.3102 1.5683 1.5683 8.1883 8.1883 8.7871 8.7871 9.3008 9.3008 10.6899 10.6899 k = 0.2292 0.1323-0.0000 ( 7880 PWs) bands (ev): -41.3157 -41.3157 -9.9913 -9.9913 -2.5892 -2.5892 -1.8768 -1.8768 -0.3709 -0.3709 -0.3126 -0.3126 0.1042 0.1042 0.3814 0.3814 0.4367 0.4367 1.2947 1.2947 1.5994 1.5994 8.1179 8.1179 8.7258 8.7258 9.2878 9.2878 10.7067 10.7067 k = 0.2396 0.1383-0.0000 ( 7890 PWs) bands (ev): -41.3157 -41.3157 -9.9858 -9.9858 -2.5867 -2.5867 -1.8591 -1.8591 -0.3783 -0.3783 -0.3146 -0.3146 0.0995 0.0995 0.3676 0.3676 0.4373 0.4373 1.2792 1.2792 1.6342 1.6342 8.0490 8.0490 8.6599 8.6599 9.2747 9.2747 10.7238 10.7238 k = 0.2500 0.1443-0.0000 ( 7896 PWs) bands (ev): -41.3156 -41.3156 -9.9802 -9.9802 -2.5841 -2.5841 -1.8410 -1.8410 -0.3861 -0.3861 -0.3166 -0.3166 0.0946 0.0946 0.3496 0.3496 0.4406 0.4406 1.2635 1.2635 1.6724 1.6724 7.9818 7.9818 8.5896 8.5896 9.2618 9.2618 10.7409 10.7409 k = 0.2604 0.1504-0.0000 ( 7892 PWs) bands (ev): -41.3156 -41.3156 -9.9746 -9.9746 -2.5815 -2.5815 -1.8226 -1.8226 -0.3943 -0.3943 -0.3187 -0.3187 0.0895 0.0895 0.3288 0.3288 0.4457 0.4457 1.2480 1.2480 1.7139 1.7139 7.9164 7.9164 8.5151 8.5151 9.2489 9.2489 10.7577 10.7577 k = 0.2708 0.1564-0.0000 ( 7904 PWs) bands (ev): -41.3155 -41.3155 -9.9691 -9.9691 -2.5790 -2.5790 -1.8040 -1.8040 -0.4027 -0.4027 -0.3208 -0.3208 0.0844 0.0844 0.3061 0.3061 0.4517 0.4517 1.2325 1.2325 1.7582 1.7582 7.8528 7.8528 8.4368 8.4368 9.2362 9.2362 10.7738 10.7738 k = 0.2812 0.1624-0.0000 ( 7912 PWs) bands (ev): -41.3155 -41.3155 -9.9635 -9.9635 -2.5764 -2.5764 -1.7852 -1.7852 -0.4114 -0.4114 -0.3229 -0.3229 0.0792 0.0792 0.2821 0.2821 0.4583 0.4583 1.2172 1.2172 1.8051 1.8051 7.7913 7.7913 8.3551 8.3551 9.2237 9.2237 10.7889 10.7889 k = 0.2917 0.1684-0.0000 ( 7910 PWs) bands (ev): -41.3154 -41.3154 -9.9580 -9.9580 -2.5738 -2.5738 -1.7663 -1.7663 -0.4204 -0.4204 -0.3250 -0.3250 0.0740 0.0740 0.2573 0.2573 0.4653 0.4653 1.2022 1.2022 1.8543 1.8543 7.7318 7.7318 8.2706 8.2706 9.2115 9.2115 10.8026 10.8026 k = 0.3021 0.1744-0.0000 ( 7916 PWs) bands (ev): -41.3154 -41.3154 -9.9526 -9.9526 -2.5713 -2.5713 -1.7473 -1.7473 -0.4296 -0.4296 -0.3272 -0.3272 0.0688 0.0688 0.2320 0.2320 0.4726 0.4726 1.1874 1.1874 1.9054 1.9054 7.6746 7.6746 8.1837 8.1837 9.1996 9.1996 10.8146 10.8146 k = 0.3125 0.1804-0.0000 ( 7918 PWs) bands (ev): -41.3154 -41.3154 -9.9473 -9.9473 -2.5688 -2.5688 -1.7284 -1.7284 -0.4390 -0.4390 -0.3293 -0.3293 0.0636 0.0636 0.2066 0.2066 0.4800 0.4800 1.1730 1.1730 1.9581 1.9581 7.6197 7.6197 8.0951 8.0951 9.1880 9.1880 10.8247 10.8247 k = 0.3229 0.1864-0.0000 ( 7914 PWs) bands (ev): -41.3153 -41.3153 -9.9421 -9.9421 -2.5663 -2.5663 -1.7097 -1.7097 -0.4485 -0.4485 -0.3314 -0.3314 0.0585 0.0585 0.1813 0.1813 0.4876 0.4876 1.1589 1.1589 2.0120 2.0120 7.5671 7.5671 8.0054 8.0054 9.1768 9.1768 10.8326 10.8326 k = 0.3333 0.1925-0.0000 ( 7918 PWs) bands (ev): -41.3153 -41.3153 -9.9371 -9.9371 -2.5639 -2.5639 -1.6911 -1.6911 -0.4581 -0.4581 -0.3334 -0.3334 0.0534 0.0534 0.1563 0.1563 0.4952 0.4952 1.1453 1.1453 2.0666 2.0666 7.5171 7.5171 7.9151 7.9151 9.1661 9.1661 10.8383 10.8383 k = 0.3438 0.1985-0.0000 ( 7916 PWs) bands (ev): -41.3152 -41.3152 -9.9322 -9.9322 -2.5616 -2.5616 -1.6729 -1.6729 -0.4676 -0.4676 -0.3354 -0.3354 0.0484 0.0484 0.1319 0.1319 0.5027 0.5027 1.1322 1.1322 2.1217 2.1217 7.4696 7.4696 7.8251 7.8251 9.1558 9.1558 10.8415 10.8415 k = 0.3542 0.2045-0.0000 ( 7908 PWs) bands (ev): -41.3152 -41.3152 -9.9275 -9.9275 -2.5594 -2.5594 -1.6551 -1.6551 -0.4772 -0.4772 -0.3373 -0.3373 0.0434 0.0434 0.1085 0.1085 0.5101 0.5101 1.1196 1.1196 2.1768 2.1768 7.4247 7.4247 7.7359 7.7359 9.1460 9.1460 10.8426 10.8426 k = 0.3646 0.2105-0.0000 ( 7908 PWs) bands (ev): -41.3152 -41.3152 -9.9231 -9.9231 -2.5573 -2.5573 -1.6378 -1.6378 -0.4866 -0.4866 -0.3391 -0.3391 0.0383 0.0383 0.0863 0.0863 0.5173 0.5173 1.1077 1.1077 2.2315 2.2315 7.3825 7.3825 7.6483 7.6483 9.1368 9.1368 10.8416 10.8416 k = 0.3750 0.2165-0.0000 ( 7900 PWs) bands (ev): -41.3151 -41.3151 -9.9189 -9.9189 -2.5552 -2.5552 -1.6212 -1.6212 -0.4958 -0.4958 -0.3408 -0.3408 0.0326 0.0326 0.0658 0.0658 0.5243 0.5243 1.0963 1.0963 2.2852 2.2852 7.3429 7.3429 7.5631 7.5631 9.1281 9.1281 10.8388 10.8388 k = 0.3854 0.2225-0.0000 ( 7890 PWs) bands (ev): -41.3151 -41.3151 -9.9149 -9.9149 -2.5533 -2.5533 -1.6052 -1.6052 -0.5047 -0.5047 -0.3424 -0.3424 0.0252 0.0252 0.0487 0.0487 0.5309 0.5309 1.0857 1.0857 2.3375 2.3375 7.3061 7.3061 7.4811 7.4811 9.1200 9.1200 10.8346 10.8346 k = 0.3958 0.2285-0.0000 ( 7888 PWs) bands (ev): -41.3151 -41.3151 -9.9112 -9.9112 -2.5515 -2.5515 -1.5902 -1.5902 -0.5133 -0.5133 -0.3439 -0.3439 0.0138 0.0138 0.0371 0.0371 0.5373 0.5373 1.0758 1.0758 2.3879 2.3879 7.2718 7.2718 7.4033 7.4033 9.1125 9.1125 10.8294 10.8294 k = 0.4062 0.2345-0.0000 ( 7876 PWs) bands (ev): -41.3150 -41.3150 -9.9079 -9.9079 -2.5498 -2.5498 -1.5761 -1.5761 -0.5214 -0.5214 -0.3453 -0.3453 -0.0008 -0.0008 0.0305 0.0305 0.5432 0.5432 1.0667 1.0667 2.4359 2.4359 7.2397 7.2397 7.3308 7.3308 9.1057 9.1057 10.8235 10.8235 k = 0.4167 0.2406-0.0000 ( 7882 PWs) bands (ev): -41.3150 -41.3150 -9.9048 -9.9048 -2.5483 -2.5483 -1.5630 -1.5630 -0.5290 -0.5290 -0.3465 -0.3465 -0.0157 -0.0157 0.0261 0.0261 0.5487 0.5487 1.0584 1.0584 2.4808 2.4808 7.2082 7.2082 7.2659 7.2659 9.0995 9.0995 10.8173 10.8173 k = 0.4271 0.2466-0.0000 ( 7878 PWs) bands (ev): -41.3150 -41.3150 -9.9021 -9.9021 -2.5470 -2.5470 -1.5512 -1.5512 -0.5360 -0.5360 -0.3476 -0.3476 -0.0296 -0.0296 0.0227 0.0227 0.5536 0.5536 1.0510 1.0510 2.5222 2.5222 7.1719 7.1719 7.2149 7.2149 9.0940 9.0940 10.8111 10.8111 k = 0.4375 0.2526-0.0000 ( 7870 PWs) bands (ev): -41.3150 -41.3150 -9.8996 -9.8996 -2.5458 -2.5458 -1.5407 -1.5407 -0.5423 -0.5423 -0.3486 -0.3486 -0.0421 -0.0421 0.0199 0.0199 0.5580 0.5580 1.0444 1.0444 2.5595 2.5595 7.1268 7.1268 7.1827 7.1827 9.0892 9.0892 10.8053 10.8053 k = 0.4479 0.2586-0.0000 ( 7872 PWs) bands (ev): -41.3149 -41.3149 -9.8976 -9.8976 -2.5448 -2.5448 -1.5316 -1.5316 -0.5478 -0.5478 -0.3494 -0.3494 -0.0528 -0.0528 0.0176 0.0176 0.5618 0.5618 1.0388 1.0388 2.5921 2.5921 7.0816 7.0816 7.1610 7.1610 9.0852 9.0852 10.8000 10.8000 k = 0.4583 0.2646-0.0000 ( 7876 PWs) bands (ev): -41.3149 -41.3149 -9.8959 -9.8959 -2.5439 -2.5439 -1.5240 -1.5240 -0.5524 -0.5524 -0.3501 -0.3501 -0.0617 -0.0617 0.0157 0.0157 0.5650 0.5650 1.0342 1.0342 2.6196 2.6196 7.0421 7.0421 7.1447 7.1447 9.0818 9.0818 10.7954 10.7954 k = 0.4688 0.2706-0.0000 ( 7876 PWs) bands (ev): -41.3149 -41.3149 -9.8946 -9.8946 -2.5433 -2.5433 -1.5180 -1.5180 -0.5560 -0.5560 -0.3506 -0.3506 -0.0688 -0.0688 0.0143 0.0143 0.5675 0.5675 1.0306 1.0306 2.6415 2.6415 7.0104 7.0104 7.1325 7.1325 9.0792 9.0792 10.7917 10.7917 k = 0.4792 0.2766-0.0000 ( 7880 PWs) bands (ev): -41.3149 -41.3149 -9.8936 -9.8936 -2.5428 -2.5428 -1.5137 -1.5137 -0.5587 -0.5587 -0.3510 -0.3510 -0.0738 -0.0738 0.0133 0.0133 0.5693 0.5693 1.0280 1.0280 2.6574 2.6574 6.9873 6.9873 7.1238 7.1238 9.0773 9.0773 10.7890 10.7890 k = 0.4896 0.2827-0.0000 ( 7880 PWs) bands (ev): -41.3149 -41.3149 -9.8930 -9.8930 -2.5425 -2.5425 -1.5110 -1.5110 -0.5603 -0.5603 -0.3512 -0.3512 -0.0769 -0.0769 0.0127 0.0127 0.5704 0.5704 1.0264 1.0264 2.6671 2.6671 6.9732 6.9732 7.1187 7.1187 9.0762 9.0762 10.7874 10.7874 k = 0.5000 0.2887-0.0000 ( 7884 PWs) bands (ev): -41.3149 -41.3149 -9.8928 -9.8928 -2.5424 -2.5424 -1.5102 -1.5102 -0.5608 -0.5608 -0.3513 -0.3513 -0.0779 -0.0779 0.0125 0.0125 0.5708 0.5708 1.0259 1.0259 2.6703 2.6703 6.9685 6.9685 7.1170 7.1170 9.0758 9.0758 10.7868 10.7868 k = 0.5000 0.2887-0.0000 ( 7884 PWs) bands (ev): -41.3149 -41.3149 -9.8928 -9.8928 -2.5424 -2.5424 -1.5102 -1.5102 -0.5608 -0.5608 -0.3513 -0.3513 -0.0779 -0.0779 0.0125 0.0125 0.5708 0.5708 1.0259 1.0259 2.6703 2.6703 6.9685 6.9685 7.1170 7.1170 9.0758 9.0758 10.7868 10.7868 k = 0.4940 0.2990-0.0000 ( 7882 PWs) bands (ev): -41.3149 -41.3149 -9.8928 -9.8928 -2.5424 -2.5424 -1.5100 -1.5100 -0.5610 -0.5604 -0.3516 -0.3511 -0.0779 -0.0774 0.0122 0.0130 0.5700 0.5712 1.0248 1.0248 2.6709 2.6710 6.9702 6.9704 7.1171 7.1182 9.0720 9.0731 10.7822 10.7822 k = 0.4881 0.3093-0.0000 ( 7878 PWs) bands (ev): -41.3149 -41.3149 -9.8926 -9.8926 -2.5423 -2.5423 -1.5094 -1.5094 -0.5608 -0.5597 -0.3520 -0.3512 -0.0775 -0.0766 0.0121 0.0137 0.5687 0.5713 1.0216 1.0217 2.6726 2.6728 6.9755 6.9758 7.1185 7.1206 9.0617 9.0640 10.7680 10.7680 k = 0.4821 0.3196-0.0000 ( 7872 PWs) bands (ev): -41.3149 -41.3149 -9.8923 -9.8923 -2.5422 -2.5422 -1.5084 -1.5084 -0.5604 -0.5587 -0.3526 -0.3515 -0.0768 -0.0753 0.0124 0.0145 0.5669 0.5710 1.0163 1.0166 2.6755 2.6757 6.9843 6.9847 7.1212 7.1243 9.0453 9.0487 10.7435 10.7439 k = 0.4762 0.3299-0.0000 ( 7874 PWs) bands (ev): -41.3149 -41.3149 -9.8918 -9.8918 -2.5420 -2.5420 -1.5070 -1.5070 -0.5598 -0.5574 -0.3534 -0.3520 -0.0756 -0.0737 0.0129 0.0155 0.5646 0.5705 1.0089 1.0096 2.6795 2.6798 6.9965 6.9972 7.1251 7.1293 9.0228 9.0275 10.7081 10.7089 k = 0.4702 0.3402-0.0000 ( 7880 PWs) bands (ev): -41.3149 -41.3149 -9.8913 -9.8913 -2.5418 -2.5417 -1.5053 -1.5052 -0.5588 -0.5558 -0.3543 -0.3527 -0.0741 -0.0718 0.0140 0.0166 0.5617 0.5697 0.9996 1.0007 2.6845 2.6849 7.0123 7.0131 7.1303 7.1356 8.9949 9.0007 10.6611 10.6626 k = 0.4643 0.3505-0.0000 ( 7882 PWs) bands (ev): -41.3149 -41.3149 -9.8906 -9.8906 -2.5415 -2.5415 -1.5032 -1.5031 -0.5577 -0.5540 -0.3554 -0.3538 -0.0722 -0.0696 0.0155 0.0178 0.5582 0.5686 0.9885 0.9903 2.6907 2.6911 7.0316 7.0326 7.1366 7.1431 8.9618 8.9688 10.6023 10.6047 k = 0.4583 0.3608-0.0000 ( 7882 PWs) bands (ev): -41.3149 -41.3149 -9.8899 -9.8899 -2.5412 -2.5412 -1.5008 -1.5007 -0.5562 -0.5519 -0.3567 -0.3551 -0.0701 -0.0673 0.0177 0.0191 0.5541 0.5675 0.9756 0.9785 2.6978 2.6982 7.0542 7.0555 7.1442 7.1519 8.9242 8.9324 10.5322 10.5358 k = 0.4524 0.3712-0.0000 ( 7882 PWs) bands (ev): -41.3149 -41.3149 -9.8890 -9.8890 -2.5409 -2.5408 -1.4980 -1.4979 -0.5546 -0.5496 -0.3582 -0.3568 -0.0676 -0.0650 0.0205 0.0206 0.5492 0.5662 0.9612 0.9654 2.7058 2.7063 7.0803 7.0818 7.1530 7.1618 8.8826 8.8921 10.4517 10.4565 k = 0.4464 0.3815-0.0000 ( 7882 PWs) bands (ev): -41.3149 -41.3149 -9.8880 -9.8880 -2.5405 -2.5404 -1.4949 -1.4948 -0.5527 -0.5470 -0.3599 -0.3589 -0.0649 -0.0628 0.0220 0.0245 0.5435 0.5648 0.9455 0.9514 2.7146 2.7152 7.1096 7.1113 7.1630 7.1730 8.8376 8.8484 10.3618 10.3680 k = 0.4405 0.3918-0.0000 ( 7870 PWs) bands (ev): -41.3149 -41.3149 -9.8870 -9.8870 -2.5401 -2.5400 -1.4916 -1.4915 -0.5506 -0.5442 -0.3619 -0.3613 -0.0620 -0.0609 0.0236 0.0293 0.5370 0.5634 0.9286 0.9367 2.7242 2.7248 7.1421 7.1440 7.1743 7.1854 8.7898 8.8019 10.2640 10.2715 k = 0.4345 0.4021-0.0000 ( 7866 PWs) bands (ev): -41.3148 -41.3148 -9.8859 -9.8859 -2.5396 -2.5395 -1.4880 -1.4879 -0.5483 -0.5411 -0.3641 -0.3641 -0.0592 -0.0588 0.0252 0.0353 0.5296 0.5621 0.9107 0.9215 2.7345 2.7351 7.1773 7.1773 7.1892 7.1994 8.7398 8.7533 10.1594 10.1684 k = 0.4286 0.4124-0.0000 ( 7866 PWs) bands (ev): -41.3148 -41.3148 -9.8847 -9.8847 -2.5391 -2.5391 -1.4842 -1.4841 -0.5459 -0.5379 -0.3673 -0.3665 -0.0579 -0.0555 0.0268 0.0424 0.5212 0.5609 0.8920 0.9061 2.7454 2.7460 7.1963 7.2087 7.2213 7.2225 8.6882 8.7032 10.0494 10.0598 k = 0.4226 0.4227-0.0000 ( 7866 PWs) bands (ev): -41.3148 -41.3148 -9.8835 -9.8835 -2.5386 -2.5386 -1.4802 -1.4800 -0.5433 -0.5344 -0.3709 -0.3692 -0.0570 -0.0521 0.0284 0.0507 0.5117 0.5598 0.8728 0.8909 2.7568 2.7574 7.2106 7.2263 7.2611 7.2646 8.6356 8.6521 9.9351 9.9469 k = 0.4167 0.4330-0.0000 ( 7862 PWs) bands (ev): -41.3148 -41.3148 -9.8823 -9.8823 -2.5381 -2.5380 -1.4760 -1.4759 -0.5405 -0.5307 -0.3748 -0.3722 -0.0566 -0.0486 0.0299 0.0600 0.5012 0.5589 0.8533 0.8760 2.7685 2.7691 7.2250 7.2426 7.3060 7.3104 8.5824 8.6006 9.8175 9.8309 k = 0.4107 0.4433-0.0000 ( 7878 PWs) bands (ev): -41.3148 -41.3148 -9.8811 -9.8811 -2.5376 -2.5375 -1.4718 -1.4717 -0.5377 -0.5269 -0.3791 -0.3753 -0.0564 -0.0450 0.0313 0.0704 0.4896 0.5583 0.8337 0.8616 2.7806 2.7811 7.2400 7.2594 7.3541 7.3594 8.5293 8.5493 9.6977 9.7126 k = 0.4048 0.4536-0.0000 ( 7882 PWs) bands (ev): -41.3148 -41.3148 -9.8798 -9.8798 -2.5371 -2.5370 -1.4675 -1.4674 -0.5349 -0.5230 -0.3837 -0.3787 -0.0566 -0.0414 0.0326 0.0817 0.4768 0.5579 0.8142 0.8481 2.7928 2.7934 7.2553 7.2766 7.4052 7.4115 8.4768 8.4987 9.5765 9.5930 k = 0.3988 0.4639-0.0000 ( 7886 PWs) bands (ev): -41.3148 -41.3148 -9.8786 -9.8786 -2.5366 -2.5365 -1.4631 -1.4630 -0.5320 -0.5189 -0.3885 -0.3822 -0.0571 -0.0379 0.0337 0.0939 0.4630 0.5580 0.7950 0.8355 2.8050 2.8056 7.2709 7.2943 7.4590 7.4665 8.4254 8.4493 9.4547 9.4730 k = 0.3929 0.4743-0.0000 ( 7880 PWs) bands (ev): -41.3148 -41.3148 -9.8773 -9.8773 -2.5360 -2.5360 -1.4589 -1.4588 -0.5291 -0.5147 -0.3936 -0.3859 -0.0577 -0.0344 0.0345 0.1069 0.4482 0.5584 0.7763 0.8240 2.8172 2.8178 7.2866 7.3121 7.5155 7.5244 8.3757 8.4017 9.3331 9.3533 k = 0.3869 0.4846-0.0000 ( 7884 PWs) bands (ev): -41.3148 -41.3148 -9.8762 -9.8762 -2.5355 -2.5355 -1.4547 -1.4546 -0.5263 -0.5105 -0.3988 -0.3895 -0.0585 -0.0311 0.0351 0.1205 0.4326 0.5592 0.7584 0.8137 2.8291 2.8297 7.3020 7.3298 7.5746 7.5852 8.3281 8.3564 9.2124 9.2348 k = 0.3810 0.4949-0.0000 ( 7868 PWs) bands (ev): -41.3148 -41.3148 -9.8751 -9.8751 -2.5351 -2.5350 -1.4507 -1.4506 -0.5236 -0.5062 -0.4041 -0.3932 -0.0595 -0.0279 0.0354 0.1346 0.4163 0.5604 0.7414 0.8046 2.8407 2.8412 7.3171 7.3473 7.6359 7.6487 8.2832 8.3139 9.0932 9.1182 k = 0.3750 0.5052-0.0000 ( 7868 PWs) bands (ev): -41.3147 -41.3147 -9.8740 -9.8740 -2.5346 -2.5345 -1.4469 -1.4468 -0.5210 -0.5020 -0.4095 -0.3968 -0.0605 -0.0250 0.0355 0.1491 0.3994 0.5620 0.7256 0.7967 2.8517 2.8522 7.3313 7.3640 7.6992 7.7149 8.2417 8.2749 8.9762 9.0044 k = 0.3690 0.5155-0.0000 ( 7868 PWs) bands (ev): -41.3147 -41.3147 -9.8731 -9.8731 -2.5342 -2.5341 -1.4433 -1.4433 -0.5187 -0.4979 -0.4148 -0.4001 -0.0615 -0.0223 0.0353 0.1638 0.3824 0.5640 0.7111 0.7900 2.8619 2.8624 7.3445 7.3797 7.7643 7.7836 8.2040 8.2398 8.8619 8.8942 k = 0.3631 0.5258-0.0000 ( 7872 PWs) bands (ev): -41.3147 -41.3147 -9.8722 -9.8722 -2.5338 -2.5337 -1.4402 -1.4401 -0.5167 -0.4940 -0.4198 -0.4032 -0.0625 -0.0200 0.0349 0.1786 0.3654 0.5663 0.6981 0.7844 2.8712 2.8717 7.3563 7.3939 7.8303 7.8547 8.1709 8.2092 8.7511 8.7887 k = 0.3571 0.5361-0.0000 ( 7868 PWs) bands (ev): -41.3147 -41.3147 -9.8715 -9.8715 -2.5335 -2.5334 -1.4374 -1.4374 -0.5150 -0.4903 -0.4244 -0.4058 -0.0634 -0.0181 0.0345 0.1932 0.3489 0.5688 0.6869 0.7799 2.8793 2.8798 7.3663 7.4061 7.8964 7.9278 8.1429 8.1837 8.6442 8.6893 k = 0.3512 0.5464-0.0000 ( 7864 PWs) bands (ev): -41.3147 -41.3147 -9.8709 -9.8709 -2.5333 -2.5332 -1.4352 -1.4351 -0.5137 -0.4872 -0.4284 -0.4079 -0.0642 -0.0166 0.0340 0.2070 0.3333 0.5712 0.6776 0.7765 2.8860 2.8865 7.3742 7.4160 7.9606 8.0025 8.1206 8.1641 8.5421 8.5986 k = 0.3452 0.5567-0.0000 ( 7856 PWs) bands (ev): -41.3147 -41.3147 -9.8705 -9.8705 -2.5331 -2.5330 -1.4334 -1.4334 -0.5128 -0.4848 -0.4316 -0.4095 -0.0648 -0.0156 0.0335 0.2193 0.3198 0.5732 0.6707 0.7742 2.8911 2.8916 7.3799 7.4232 8.0189 8.0759 8.1045 8.1523 8.4462 8.5209 k = 0.3393 0.5670-0.0000 ( 7864 PWs) bands (ev): -41.3147 -41.3147 -9.8702 -9.8702 -2.5330 -2.5328 -1.4324 -1.4323 -0.5122 -0.4832 -0.4336 -0.4105 -0.0653 -0.0150 0.0332 0.2284 0.3099 0.5747 0.6664 0.7728 2.8944 2.8948 7.3833 7.4275 8.0632 8.0948 8.1244 8.1691 8.3601 8.4646 k = 0.3333 0.5774-0.0000 ( 7860 PWs) bands (ev): -41.3147 -41.3147 -9.8701 -9.8701 -2.5329 -2.5328 -1.4320 -1.4320 -0.5121 -0.4827 -0.4343 -0.4108 -0.0654 -0.0148 0.0331 0.2318 0.3062 0.5752 0.6650 0.7723 2.8955 2.8960 7.3844 7.4289 8.0805 8.0915 8.1283 8.2078 8.3105 8.4433 k = 0.3333 0.5774-0.0000 ( 7860 PWs) bands (ev): -41.3147 -41.3147 -9.8701 -9.8701 -2.5329 -2.5328 -1.4320 -1.4320 -0.5121 -0.4827 -0.4343 -0.4108 -0.0654 -0.0148 0.0331 0.2318 0.3062 0.5752 0.6650 0.7723 2.8955 2.8960 7.3844 7.4289 8.0805 8.0915 8.1283 8.2078 8.3105 8.4433 k = 0.3274 0.5670-0.0000 ( 7866 PWs) bands (ev): -41.3147 -41.3147 -9.8702 -9.8702 -2.5330 -2.5329 -1.4324 -1.4324 -0.5122 -0.4832 -0.4336 -0.4105 -0.0652 -0.0150 0.0332 0.2285 0.3098 0.5747 0.6664 0.7728 2.8943 2.8948 7.3834 7.4276 8.0639 8.0948 8.1248 8.1704 8.3585 8.4638 k = 0.3214 0.5567-0.0000 ( 7866 PWs) bands (ev): -41.3147 -41.3147 -9.8705 -9.8705 -2.5331 -2.5330 -1.4336 -1.4336 -0.5126 -0.4844 -0.4318 -0.4096 -0.0647 -0.0153 0.0336 0.2204 0.3187 0.5732 0.6706 0.7741 2.8905 2.8909 7.3807 7.4241 8.0242 8.0828 8.1041 8.1526 8.4393 8.5160 k = 0.3155 0.5464-0.0000 ( 7856 PWs) bands (ev): -41.3147 -41.3147 -9.8710 -9.8710 -2.5333 -2.5332 -1.4357 -1.4357 -0.5130 -0.4861 -0.4290 -0.4082 -0.0637 -0.0156 0.0342 0.2101 0.3305 0.5709 0.6772 0.7764 2.8838 2.8843 7.3768 7.4190 7.9755 8.0202 8.1188 8.1626 8.5268 8.5861 k = 0.3095 0.5361-0.0000 ( 7868 PWs) bands (ev): -41.3147 -41.3147 -9.8718 -9.8718 -2.5337 -2.5336 -1.4388 -1.4387 -0.5134 -0.4881 -0.4256 -0.4063 -0.0622 -0.0158 0.0351 0.1990 0.3434 0.5682 0.6859 0.7797 2.8742 2.8746 7.3723 7.4128 7.9259 7.9608 8.1383 8.1795 8.6176 8.6660 k = 0.3036 0.5258-0.0000 ( 7878 PWs) bands (ev): -41.3147 -41.3147 -9.8727 -9.8727 -2.5341 -2.5340 -1.4428 -1.4428 -0.5137 -0.4899 -0.4217 -0.4040 -0.0602 -0.0156 0.0361 0.1881 0.3566 0.5652 0.6963 0.7839 2.8613 2.8618 7.3675 7.4063 7.8795 7.9078 8.1619 8.2010 8.7109 8.7520 k = 0.2976 0.5155-0.0000 ( 7888 PWs) bands (ev): -41.3148 -41.3148 -9.8739 -9.8739 -2.5347 -2.5346 -1.4479 -1.4478 -0.5138 -0.4914 -0.4174 -0.4013 -0.0575 -0.0150 0.0374 0.1778 0.3697 0.5619 0.7082 0.7892 2.8450 2.8455 7.3630 7.4001 7.8381 7.8618 8.1892 8.2261 8.8063 8.8422 k = 0.2917 0.5052-0.0000 ( 7888 PWs) bands (ev): -41.3148 -41.3148 -9.8754 -9.8754 -2.5353 -2.5352 -1.4540 -1.4539 -0.5135 -0.4926 -0.4130 -0.3984 -0.0542 -0.0137 0.0389 0.1682 0.3824 0.5586 0.7214 0.7955 2.8253 2.8258 7.3594 7.3946 7.8030 7.8233 8.2194 8.2543 8.9036 8.9356 k = 0.2857 0.4949-0.0000 ( 7884 PWs) bands (ev): -41.3148 -41.3148 -9.8771 -9.8771 -2.5361 -2.5360 -1.4611 -1.4610 -0.5128 -0.4933 -0.4085 -0.3954 -0.0502 -0.0117 0.0405 0.1594 0.3945 0.5553 0.7358 0.8028 2.8020 2.8025 7.3568 7.3904 7.7746 7.7925 8.2522 8.2850 9.0025 9.0316 k = 0.2798 0.4846-0.0000 ( 7880 PWs) bands (ev): -41.3148 -41.3148 -9.8791 -9.8791 -2.5371 -2.5370 -1.4693 -1.4692 -0.5117 -0.4934 -0.4038 -0.3921 -0.0454 -0.0088 0.0424 0.1516 0.4057 0.5519 0.7512 0.8114 2.7752 2.7757 7.3559 7.3877 7.7535 7.7695 8.2870 8.3180 9.1031 9.1297 k = 0.2738 0.4743-0.0000 ( 7898 PWs) bands (ev): -41.3148 -41.3148 -9.8813 -9.8813 -2.5381 -2.5380 -1.4786 -1.4784 -0.5101 -0.4930 -0.3991 -0.3888 -0.0399 -0.0050 0.0446 0.1448 0.4161 0.5485 0.7674 0.8211 2.7448 2.7454 7.3567 7.3869 7.7396 7.7541 8.3236 8.3528 9.2051 9.2296 k = 0.2679 0.4639-0.0000 ( 7886 PWs) bands (ev): -41.3148 -41.3148 -9.8838 -9.8838 -2.5393 -2.5392 -1.4889 -1.4887 -0.5079 -0.4919 -0.3944 -0.3853 -0.0335 -0.0002 0.0470 0.1390 0.4255 0.5449 0.7846 0.8319 2.7110 2.7117 7.3595 7.3883 7.7331 7.7465 8.3616 8.3892 9.3083 9.3311 k = 0.2619 0.4536-0.0000 ( 7888 PWs) bands (ev): -41.3149 -41.3149 -9.8865 -9.8865 -2.5405 -2.5405 -1.5002 -1.5000 -0.5052 -0.4903 -0.3897 -0.3818 -0.0264 0.0055 0.0499 0.1343 0.4338 0.5414 0.8024 0.8440 2.6740 2.6746 7.3647 7.3920 7.7337 7.7462 8.4008 8.4267 9.4126 9.4339 k = 0.2560 0.4433-0.0000 ( 7890 PWs) bands (ev): -41.3149 -41.3149 -9.8895 -9.8895 -2.5419 -2.5419 -1.5125 -1.5123 -0.5019 -0.4880 -0.3850 -0.3783 -0.0185 0.0120 0.0533 0.1307 0.4411 0.5377 0.8210 0.8572 2.6338 2.6344 7.3723 7.3982 7.7415 7.7532 8.4408 8.4653 9.5178 9.5378 k = 0.2500 0.4330-0.0000 ( 7886 PWs) bands (ev): -41.3149 -41.3149 -9.8927 -9.8927 -2.5435 -2.5434 -1.5257 -1.5255 -0.4981 -0.4851 -0.3803 -0.3747 -0.0099 0.0192 0.0575 0.1282 0.4474 0.5339 0.8402 0.8715 2.5907 2.5914 7.3825 7.4071 7.7560 7.7671 8.4815 8.5046 9.6237 9.6425 k = 0.2440 0.4227-0.0000 ( 7896 PWs) bands (ev): -41.3149 -41.3149 -9.8962 -9.8962 -2.5451 -2.5450 -1.5398 -1.5395 -0.4938 -0.4817 -0.3757 -0.3712 -0.0006 0.0266 0.0628 0.1270 0.4526 0.5299 0.8599 0.8869 2.5450 2.5457 7.3953 7.4188 7.7770 7.7875 8.5227 8.5445 9.7301 9.7477 k = 0.2381 0.4124-0.0000 ( 7896 PWs) bands (ev): -41.3150 -41.3150 -9.8999 -9.8999 -2.5469 -2.5468 -1.5546 -1.5544 -0.4891 -0.4778 -0.3712 -0.3676 0.0091 0.0339 0.0698 0.1270 0.4569 0.5259 0.8801 0.9033 2.4969 2.4976 7.4110 7.4332 7.8041 7.8141 8.5641 8.5847 9.8365 9.8532 k = 0.2321 0.4021-0.0000 ( 7898 PWs) bands (ev): -41.3150 -41.3150 -9.9039 -9.9039 -2.5487 -2.5486 -1.5703 -1.5700 -0.4838 -0.4733 -0.3667 -0.3641 0.0190 0.0405 0.0787 0.1286 0.4603 0.5217 0.9008 0.9206 2.4468 2.4475 7.4295 7.4506 7.8369 7.8465 8.6057 8.6252 9.9427 9.9585 k = 0.2262 0.3918-0.0000 ( 7892 PWs) bands (ev): -41.3150 -41.3150 -9.9080 -9.9080 -2.5507 -2.5506 -1.5866 -1.5863 -0.4782 -0.4684 -0.3624 -0.3606 0.0290 0.0463 0.0899 0.1317 0.4628 0.5174 0.9219 0.9388 2.3950 2.3956 7.4508 7.4708 7.8749 7.8841 8.6473 8.6656 10.0482 10.0632 k = 0.2202 0.3815-0.0000 ( 7900 PWs) bands (ev): -41.3151 -41.3151 -9.9124 -9.9124 -2.5527 -2.5527 -1.6035 -1.6032 -0.4721 -0.4631 -0.3581 -0.3571 0.0386 0.0513 0.1031 0.1368 0.4647 0.5130 0.9433 0.9577 2.3417 2.3424 7.4751 7.4941 7.9177 7.9265 8.6886 8.7060 10.1524 10.1667 k = 0.2143 0.3712-0.0000 ( 7907 PWs) bands (ev): -41.3151 -41.3151 -9.9170 -9.9170 -2.5549 -2.5548 -1.6209 -1.6207 -0.4657 -0.4574 -0.3540 -0.3537 0.0476 0.0559 0.1180 0.1440 0.4658 0.5086 0.9650 0.9772 2.2875 2.2881 7.5023 7.5203 7.9647 7.9732 8.7296 8.7460 10.2543 10.2681 k = 0.2083 0.3608-0.0000 ( 7911 PWs) bands (ev): -41.3152 -41.3152 -9.9217 -9.9217 -2.5571 -2.5571 -1.6388 -1.6386 -0.4591 -0.4515 -0.3504 -0.3499 0.0557 0.0601 0.1343 0.1534 0.4665 0.5040 0.9869 0.9973 2.2325 2.2331 7.5324 7.5494 8.0155 8.0236 8.7702 8.7856 10.3531 10.3666 k = 0.2024 0.3505-0.0000 ( 7923 PWs) bands (ev): -41.3152 -41.3152 -9.9266 -9.9266 -2.5594 -2.5594 -1.6571 -1.6569 -0.4522 -0.4452 -0.3471 -0.3460 0.0629 0.0642 0.1518 0.1649 0.4666 0.4994 1.0089 1.0178 2.1772 2.1777 7.5654 7.5815 8.0695 8.0773 8.8101 8.8247 10.4471 10.4607 k = 0.1964 0.3402-0.0000 ( 7915 PWs) bands (ev): -41.3152 -41.3152 -9.9317 -9.9317 -2.5618 -2.5617 -1.6757 -1.6755 -0.4451 -0.4387 -0.3439 -0.3423 0.0681 0.0692 0.1702 0.1783 0.4665 0.4948 1.0311 1.0387 2.1218 2.1223 7.6013 7.6165 8.1263 8.1337 8.8494 8.8632 10.5345 10.5483 k = 0.1905 0.3299-0.0000 ( 7907 PWs) bands (ev): -41.3153 -41.3153 -9.9369 -9.9369 -2.5642 -2.5642 -1.6945 -1.6943 -0.4378 -0.4321 -0.3407 -0.3387 0.0721 0.0747 0.1895 0.1933 0.4661 0.4902 1.0534 1.0598 2.0668 2.0673 7.6400 7.6544 8.1852 8.1923 8.8878 8.9009 10.6127 10.6271 k = 0.1845 0.3196-0.0000 ( 7903 PWs) bands (ev): -41.3153 -41.3153 -9.9422 -9.9422 -2.5667 -2.5667 -1.7135 -1.7133 -0.4304 -0.4253 -0.3377 -0.3352 0.0760 0.0796 0.2092 0.2094 0.4655 0.4857 1.0756 1.0812 2.0125 2.0128 7.6815 7.6950 8.2458 8.2526 8.9254 8.9377 10.6788 10.6939 k = 0.1786 0.3093-0.0000 ( 7909 PWs) bands (ev): -41.3154 -41.3154 -9.9477 -9.9477 -2.5692 -2.5692 -1.7325 -1.7324 -0.4230 -0.4184 -0.3347 -0.3319 0.0799 0.0841 0.2263 0.2292 0.4650 0.4813 1.0978 1.1027 1.9592 1.9594 7.7257 7.7385 8.3075 8.3140 8.9620 8.9735 10.7301 10.7458 k = 0.1726 0.2990-0.0000 ( 7909 PWs) bands (ev): -41.3154 -41.3154 -9.9532 -9.9532 -2.5718 -2.5717 -1.7516 -1.7515 -0.4156 -0.4115 -0.3318 -0.3287 0.0838 0.0883 0.2435 0.2494 0.4646 0.4771 1.1198 1.1241 1.9072 1.9072 7.7726 7.7846 8.3698 8.3761 8.9974 9.0083 10.7650 10.7808 k = 0.1667 0.2887-0.0000 ( 7913 PWs) bands (ev): -41.3155 -41.3155 -9.9588 -9.9588 -2.5744 -2.5743 -1.7707 -1.7705 -0.4082 -0.4046 -0.3290 -0.3257 0.0877 0.0924 0.2606 0.2693 0.4644 0.4731 1.1418 1.1456 1.8567 1.8568 7.8220 7.8334 8.4322 8.4382 9.0318 9.0420 10.7841 10.7993 k = 0.1607 0.2784-0.0000 ( 7905 PWs) bands (ev): -41.3155 -41.3155 -9.9644 -9.9644 -2.5769 -2.5769 -1.7896 -1.7895 -0.4008 -0.3977 -0.3263 -0.3228 0.0916 0.0962 0.2772 0.2886 0.4647 0.4696 1.1635 1.1670 1.8081 1.8084 7.8740 7.8848 8.4942 8.4999 9.0649 9.0745 10.7899 10.8040 k = 0.1548 0.2681-0.0000 ( 7905 PWs) bands (ev): -41.3155 -41.3155 -9.9700 -9.9700 -2.5795 -2.5795 -1.8084 -1.8083 -0.3935 -0.3909 -0.3237 -0.3201 0.0954 0.1000 0.2930 0.3071 0.4655 0.4665 1.1849 1.1881 1.7617 1.7622 7.9285 7.9386 8.5553 8.5607 9.0968 9.1058 10.7855 10.7982 k = 0.1488 0.2577-0.0000 ( 7905 PWs) bands (ev): -41.3156 -41.3156 -9.9757 -9.9756 -2.5821 -2.5821 -1.8269 -1.8268 -0.3864 -0.3842 -0.3211 -0.3175 0.0993 0.1036 0.3075 0.3244 0.4641 0.4669 1.2060 1.2091 1.7180 1.7187 7.9852 7.9948 8.6150 8.6201 9.1274 9.1358 10.7742 10.7855 k = 0.1429 0.2474-0.0000 ( 7897 PWs) bands (ev): -41.3156 -41.3156 -9.9813 -9.9813 -2.5847 -2.5846 -1.8452 -1.8451 -0.3794 -0.3777 -0.3187 -0.3151 0.1030 0.1072 0.3205 0.3399 0.4627 0.4691 1.2268 1.2297 1.6770 1.6780 8.0442 8.0532 8.6729 8.6778 9.1566 9.1644 10.7586 10.7684 k = 0.1369 0.2371-0.0000 ( 7889 PWs) bands (ev): -41.3157 -41.3157 -9.9869 -9.9869 -2.5872 -2.5872 -1.8631 -1.8630 -0.3727 -0.3713 -0.3164 -0.3128 0.1068 0.1107 0.3316 0.3532 0.4623 0.4720 1.2471 1.2500 1.6392 1.6404 8.1054 8.1138 8.7286 8.7332 9.1845 9.1918 10.7404 10.7490 k = 0.1310 0.2268-0.0000 ( 7883 PWs) bands (ev): -41.3157 -41.3157 -9.9924 -9.9924 -2.5897 -2.5897 -1.8806 -1.8805 -0.3662 -0.3651 -0.3143 -0.3107 0.1104 0.1140 0.3408 0.3640 0.4631 0.4755 1.2670 1.2698 1.6048 1.6063 8.1685 8.1765 8.7817 8.7861 9.2110 9.2177 10.7212 10.7286 k = 0.1250 0.2165-0.0000 ( 7883 PWs) bands (ev): -41.3158 -41.3158 -9.9978 -9.9978 -2.5922 -2.5922 -1.8977 -1.8976 -0.3599 -0.3591 -0.3122 -0.3087 0.1139 0.1173 0.3481 0.3720 0.4651 0.4794 1.2863 1.2892 1.5739 1.5757 8.2335 8.2410 8.8320 8.8360 9.2360 9.2423 10.7018 10.7082 k = 0.1190 0.2062-0.0000 ( 7887 PWs) bands (ev): -41.3158 -41.3158 -10.0032 -10.0032 -2.5946 -2.5946 -1.9143 -1.9142 -0.3539 -0.3534 -0.3102 -0.3069 0.1173 0.1204 0.3536 0.3775 0.4680 0.4832 1.3051 1.3081 1.5469 1.5490 8.3003 8.3073 8.8790 8.8828 9.2597 9.2656 10.6831 10.6886 k = 0.1131 0.1959-0.0000 ( 7887 PWs) bands (ev): -41.3159 -41.3159 -10.0084 -10.0084 -2.5970 -2.5970 -1.9303 -1.9303 -0.3482 -0.3479 -0.3084 -0.3052 0.1206 0.1234 0.3577 0.3806 0.4713 0.4865 1.3232 1.3264 1.5237 1.5261 8.3686 8.3751 8.9226 8.9261 9.2820 9.2874 10.6654 10.6701 k = 0.1071 0.1856-0.0000 ( 7895 PWs) bands (ev): -41.3159 -41.3159 -10.0135 -10.0135 -2.5993 -2.5993 -1.9458 -1.9457 -0.3428 -0.3427 -0.3066 -0.3036 0.1238 0.1263 0.3607 0.3821 0.4743 0.4890 1.3407 1.3440 1.5044 1.5072 8.4382 8.4443 8.9626 8.9659 9.3029 9.3079 10.6492 10.6532 k = 0.1012 0.1753-0.0000 ( 7889 PWs) bands (ev): -41.3160 -41.3160 -10.0184 -10.0184 -2.6015 -2.6015 -1.9606 -1.9606 -0.3378 -0.3377 -0.3050 -0.3022 0.1267 0.1290 0.3627 0.3823 0.4766 0.4903 1.3575 1.3610 1.4890 1.4922 8.5090 8.5147 8.9989 9.0020 9.3224 9.3270 10.6346 10.6380 k = 0.0952 0.1650-0.0000 ( 7893 PWs) bands (ev): -41.3160 -41.3160 -10.0232 -10.0232 -2.6036 -2.6036 -1.9749 -1.9748 -0.3333 -0.3330 -0.3035 -0.3009 0.1295 0.1315 0.3640 0.3818 0.4777 0.4904 1.3734 1.3773 1.4773 1.4809 8.5807 8.5861 9.0316 9.0344 9.3405 9.3447 10.6218 10.6246 k = 0.0893 0.1546-0.0000 ( 7893 PWs) bands (ev): -41.3160 -41.3160 -10.0277 -10.0277 -2.6057 -2.6057 -1.9884 -1.9883 -0.3290 -0.3286 -0.3021 -0.2997 0.1321 0.1339 0.3649 0.3806 0.4776 0.4891 1.3886 1.3928 1.4691 1.4731 8.6531 8.6581 9.0606 9.0632 9.3573 9.3612 10.6108 10.6131 k = 0.0833 0.1443-0.0000 ( 7897 PWs) bands (ev): -41.3161 -41.3161 -10.0321 -10.0321 -2.6076 -2.6076 -2.0012 -2.0011 -0.3250 -0.3246 -0.3008 -0.2987 0.1346 0.1361 0.3654 0.3792 0.4762 0.4864 1.4029 1.4076 1.4641 1.4686 8.7257 8.7304 9.0861 9.0884 9.3727 9.3763 10.6016 10.6035 k = 0.0774 0.1340-0.0000 ( 7895 PWs) bands (ev): -41.3161 -41.3161 -10.0362 -10.0362 -2.6095 -2.6095 -2.0132 -2.0132 -0.3214 -0.3209 -0.2996 -0.2978 0.1368 0.1381 0.3656 0.3776 0.4737 0.4826 1.4163 1.4214 1.4618 1.4668 8.7983 8.8026 9.1083 9.1105 9.3869 9.3902 10.5941 10.5956 k = 0.0714 0.1237-0.0000 ( 7887 PWs) bands (ev): -41.3161 -41.3161 -10.0401 -10.0401 -2.6112 -2.6112 -2.0245 -2.0245 -0.3181 -0.3176 -0.2986 -0.2969 0.1388 0.1399 0.3657 0.3759 0.4701 0.4779 1.4287 1.4344 1.4620 1.4676 8.8702 8.8743 9.1276 9.1296 9.3998 9.4028 10.5882 10.5894 k = 0.0655 0.1134-0.0000 ( 7883 PWs) bands (ev): -41.3162 -41.3162 -10.0437 -10.0437 -2.6128 -2.6128 -2.0349 -2.0349 -0.3151 -0.3147 -0.2976 -0.2962 0.1407 0.1415 0.3657 0.3742 0.4658 0.4724 1.4402 1.4463 1.4643 1.4703 8.9408 8.9446 9.1445 9.1463 9.4115 9.4142 10.5838 10.5847 k = 0.0595 0.1031-0.0000 ( 7887 PWs) bands (ev): -41.3162 -41.3162 -10.0471 -10.0471 -2.6143 -2.6143 -2.0445 -2.0445 -0.3124 -0.3120 -0.2967 -0.2956 0.1423 0.1429 0.3656 0.3725 0.4610 0.4664 1.4507 1.4570 1.4683 1.4746 9.0087 9.0123 9.1600 9.1616 9.4220 9.4245 10.5807 10.5813 k = 0.0536 0.0928-0.0000 ( 7889 PWs) bands (ev): -41.3162 -41.3162 -10.0501 -10.0501 -2.6157 -2.6157 -2.0533 -2.0533 -0.3101 -0.3097 -0.2960 -0.2951 0.1437 0.1442 0.3655 0.3709 0.4559 0.4602 1.4601 1.4662 1.4739 1.4800 9.0715 9.0748 9.1763 9.1778 9.4314 9.4337 10.5786 10.5791 k = 0.0476 0.0825-0.0000 ( 7897 PWs) bands (ev): -41.3163 -41.3163 -10.0529 -10.0529 -2.6170 -2.6170 -2.0612 -2.0612 -0.3080 -0.3077 -0.2953 -0.2947 0.1450 0.1453 0.3653 0.3694 0.4508 0.4541 1.4687 1.4736 1.4810 1.4858 9.1223 9.1248 9.2004 9.2013 9.4398 9.4418 10.5773 10.5777 k = 0.0417 0.0722-0.0000 ( 7897 PWs) bands (ev): -41.3163 -41.3163 -10.0554 -10.0554 -2.6181 -2.6181 -2.0682 -2.0682 -0.3062 -0.3059 -0.2948 -0.2943 0.1460 0.1463 0.3650 0.3680 0.4458 0.4483 1.4765 1.4799 1.4885 1.4918 9.1518 9.1530 9.2406 9.2409 9.4471 9.4489 10.5768 10.5770 k = 0.0357 0.0619-0.0000 ( 7893 PWs) bands (ev): -41.3163 -41.3163 -10.0576 -10.0576 -2.6190 -2.6190 -2.0743 -2.0743 -0.3047 -0.3045 -0.2943 -0.2940 0.1469 0.1471 0.3648 0.3668 0.4412 0.4429 1.4834 1.4855 1.4954 1.4976 9.1656 9.1661 9.2896 9.2905 9.4535 9.4550 10.5767 10.5769 k = 0.0298 0.0515-0.0000 ( 7893 PWs) bands (ev): -41.3163 -41.3163 -10.0594 -10.0594 -2.6199 -2.6199 -2.0795 -2.0795 -0.3034 -0.3033 -0.2940 -0.2938 0.1476 0.1477 0.3645 0.3658 0.4371 0.4381 1.4894 1.4907 1.5015 1.5028 9.1729 9.1731 9.3381 9.3391 9.4591 9.4604 10.5770 10.5771 k = 0.0238 0.0412-0.0000 ( 7897 PWs) bands (ev): -41.3163 -41.3163 -10.0609 -10.0609 -2.6205 -2.6205 -2.0838 -2.0838 -0.3024 -0.3023 -0.2937 -0.2936 0.1482 0.1482 0.3642 0.3649 0.4335 0.4341 1.4945 1.4951 1.5066 1.5073 9.1773 9.1774 9.3813 9.3822 9.4640 9.4650 10.5774 10.5774 k = 0.0179 0.0309-0.0000 ( 7893 PWs) bands (ev): -41.3163 -41.3163 -10.0621 -10.0621 -2.6211 -2.6211 -2.0871 -2.0871 -0.3016 -0.3016 -0.2935 -0.2934 0.1486 0.1486 0.3639 0.3642 0.4307 0.4309 1.4984 1.4987 1.5107 1.5109 9.1801 9.1801 9.4165 9.4171 9.4688 9.4694 10.5778 10.5779 k = 0.0119 0.0206-0.0000 ( 7885 PWs) bands (ev): -41.3163 -41.3163 -10.0630 -10.0630 -2.6214 -2.6214 -2.0895 -2.0895 -0.3010 -0.3010 -0.2933 -0.2933 0.1489 0.1489 0.3637 0.3638 0.4285 0.4286 1.5013 1.5014 1.5136 1.5136 9.1817 9.1817 9.4410 9.4413 9.4741 9.4744 10.5782 10.5783 k = 0.0060 0.0103-0.0000 ( 7875 PWs) bands (ev): -41.3163 -41.3163 -10.0635 -10.0635 -2.6217 -2.6217 -2.0909 -2.0909 -0.3007 -0.3007 -0.2933 -0.2932 0.1491 0.1491 0.3635 0.3635 0.4272 0.4273 1.5030 1.5031 1.5153 1.5153 9.1827 9.1827 9.4536 9.4536 9.4801 9.4802 10.5785 10.5785 k = 0.0000 0.0000 0.0000 ( 7875 PWs) bands (ev): -41.3163 -41.3163 -10.0637 -10.0637 -2.6218 -2.6218 -2.0914 -2.0914 -0.3006 -0.3006 -0.2932 -0.2932 0.1491 0.1491 0.3635 0.3635 0.4268 0.4268 1.5036 1.5036 1.5159 1.5159 9.1829 9.1829 9.4569 9.4569 9.4830 9.4830 10.5786 10.5786 k = 0.0000 0.0000 0.0000 ( 7875 PWs) bands (ev): -41.3163 -41.3163 -10.0637 -10.0637 -2.6218 -2.6218 -2.0914 -2.0914 -0.3006 -0.3006 -0.2932 -0.2932 0.1491 0.1491 0.3635 0.3635 0.4268 0.4268 1.5036 1.5036 1.5159 1.5159 9.1829 9.1829 9.4569 9.4569 9.4830 9.4830 10.5786 10.5786 k = 0.0000 0.0000 0.0118 ( 7863 PWs) bands (ev): -41.3163 -41.3163 -10.0633 -10.0633 -2.6446 -2.6446 -2.0672 -2.0672 -0.3018 -0.3018 -0.2944 -0.2933 0.1472 0.1489 0.3635 0.3635 0.4268 0.4268 1.5062 1.5062 1.5185 1.5191 9.1783 9.1783 9.4529 9.4529 9.4792 9.4793 10.5745 10.5745 k = 0.0000 0.0000 0.0237 ( 7851 PWs) bands (ev): -41.3163 -41.3163 -10.0624 -10.0624 -2.7035 -2.7035 -2.0041 -2.0041 -0.3055 -0.3055 -0.2969 -0.2948 0.1431 0.1464 0.3635 0.3635 0.4268 0.4268 1.5139 1.5139 1.5268 1.5281 9.1645 9.1645 9.4411 9.4411 9.4680 9.4681 10.5628 10.5628 k = 0.0000 0.0000 0.0355 ( 7851 PWs) bands (ev): -41.3163 -41.3163 -10.0608 -10.0608 -2.7827 -2.7827 -1.9182 -1.9182 -0.3115 -0.3115 -0.3007 -0.2975 0.1370 0.1419 0.3635 0.3635 0.4268 0.4268 1.5265 1.5265 1.5407 1.5426 9.1418 9.1418 9.4217 9.4217 9.4494 9.4496 10.5443 10.5443 k = 0.0000 0.0000 0.0474 ( 7893 PWs) bands (ev): -41.3163 -41.3163 -10.0585 -10.0585 -2.8715 -2.8715 -1.8199 -1.8199 -0.3197 -0.3197 -0.3058 -0.3016 0.1292 0.1356 0.3636 0.3636 0.4269 0.4269 1.5439 1.5439 1.5599 1.5624 9.1108 9.1108 9.3950 9.3950 9.4238 9.4241 10.5205 10.5205 k = 0.0000 0.0000 0.0592 ( 7905 PWs) bands (ev): -41.3164 -41.3164 -10.0557 -10.0557 -2.9645 -2.9645 -1.7150 -1.7150 -0.3298 -0.3298 -0.3122 -0.3071 0.1201 0.1278 0.3637 0.3637 0.4272 0.4272 1.5657 1.5657 1.5840 1.5870 9.0721 9.0721 9.3614 9.3614 9.3916 9.3920 10.4925 10.4925 k = 0.0000 0.0000 0.0711 ( 7923 PWs) bands (ev): -41.3164 -41.3164 -10.0523 -10.0523 -3.0589 -3.0589 -1.6064 -1.6064 -0.3416 -0.3416 -0.3198 -0.3139 0.1100 0.1188 0.3638 0.3638 0.4277 0.4277 1.5916 1.5916 1.6126 1.6160 9.0263 9.0263 9.3215 9.3215 9.3532 9.3537 10.4614 10.4614 k = 0.0000 0.0000 0.0829 ( 7923 PWs) bands (ev): -41.3164 -41.3164 -10.0484 -10.0484 -3.1530 -3.1530 -1.4959 -1.4959 -0.3547 -0.3547 -0.3287 -0.3220 0.0993 0.1091 0.3639 0.3639 0.4285 0.4285 1.6213 1.6213 1.6452 1.6489 8.9744 8.9744 9.2757 9.2757 9.3092 9.3098 10.4280 10.4280 k = 0.0000 0.0000 0.0948 ( 7917 PWs) bands (ev): -41.3164 -41.3164 -10.0439 -10.0439 -3.2460 -3.2460 -1.3848 -1.3848 -0.3688 -0.3688 -0.3387 -0.3315 0.0883 0.0989 0.3640 0.3640 0.4297 0.4297 1.6542 1.6542 1.6814 1.6853 8.9169 8.9169 9.2249 9.2249 9.2602 9.2609 10.3929 10.3929 k = 0.0000 0.0000 0.1066 ( 7923 PWs) bands (ev): -41.3164 -41.3164 -10.0390 -10.0390 -3.3370 -3.3370 -1.2741 -1.2741 -0.3835 -0.3835 -0.3498 -0.3421 0.0774 0.0886 0.3642 0.3642 0.4314 0.4314 1.6900 1.6900 1.7204 1.7246 8.8547 8.8547 9.1697 9.1697 9.2069 9.2076 10.3565 10.3565 k = 0.0000 0.0000 0.1185 ( 7917 PWs) bands (ev): -41.3164 -41.3164 -10.0337 -10.0337 -3.4258 -3.4258 -1.1649 -1.1649 -0.3981 -0.3981 -0.3619 -0.3539 0.0668 0.0784 0.3643 0.3643 0.4338 0.4338 1.7282 1.7282 1.7620 1.7663 8.7885 8.7885 9.1107 9.1107 9.1499 9.1507 10.3194 10.3194 k = 0.0000 0.0000 0.1303 ( 7887 PWs) bands (ev): -41.3163 -41.3163 -10.0280 -10.0280 -3.5118 -3.5118 -1.0582 -1.0582 -0.4119 -0.4119 -0.3749 -0.3668 0.0568 0.0685 0.3645 0.3645 0.4368 0.4368 1.7684 1.7684 1.8056 1.8099 8.7191 8.7191 9.0487 9.0487 9.0898 9.0907 10.2818 10.2818 k = 0.0000 0.0000 0.1422 ( 7899 PWs) bands (ev): -41.3163 -41.3163 -10.0220 -10.0220 -3.5949 -3.5949 -0.9556 -0.9556 -0.4239 -0.4239 -0.3886 -0.3804 0.0474 0.0591 0.3647 0.3647 0.4408 0.4408 1.8102 1.8102 1.8506 1.8550 8.6471 8.6471 8.9845 8.9845 9.0275 9.0284 10.2441 10.2441 k = 0.0000 0.0000 0.1540 ( 7899 PWs) bands (ev): -41.3163 -41.3163 -10.0158 -10.0158 -3.6748 -3.6748 -0.8593 -0.8593 -0.4320 -0.4320 -0.4028 -0.3947 0.0387 0.0503 0.3648 0.3648 0.4457 0.4457 1.8530 1.8530 1.8966 1.9010 8.5733 8.5733 8.9187 8.9187 8.9635 8.9645 10.2067 10.2067 k = 0.0000 0.0000 0.1659 ( 7905 PWs) bands (ev): -41.3164 -41.3164 -10.0094 -10.0094 -3.7511 -3.7511 -0.7733 -0.7733 -0.4330 -0.4330 -0.4174 -0.4095 0.0309 0.0422 0.3650 0.3650 0.4518 0.4518 1.8965 1.8965 1.9433 1.9475 8.4982 8.4982 8.8520 8.8520 8.8987 8.8997 10.1698 10.1698 k = 0.0000 0.0000 0.1777 ( 7905 PWs) bands (ev): -41.3164 -41.3164 -10.0029 -10.0029 -3.8239 -3.8239 -0.7039 -0.7039 -0.4321 -0.4246 -0.4209 -0.4209 0.0239 0.0347 0.3652 0.3652 0.4594 0.4594 1.9402 1.9402 1.9900 1.9941 8.4226 8.4226 8.7851 8.7851 8.8336 8.8346 10.1337 10.1337 k = 0.0000 0.0000 0.1896 ( 7904 PWs) bands (ev): -41.3163 -41.3163 -9.9963 -9.9963 -3.8928 -3.8928 -0.6584 -0.6584 -0.4468 -0.4396 -0.3892 -0.3892 0.0176 0.0280 0.3653 0.3653 0.4685 0.4685 1.9837 1.9837 2.0363 2.0404 8.3471 8.3471 8.7188 8.7188 8.7689 8.7699 10.0988 10.0988 k = 0.0000 0.0000 0.2014 ( 7904 PWs) bands (ev): -41.3163 -41.3163 -9.9898 -9.9898 -3.9577 -3.9577 -0.6368 -0.6368 -0.4613 -0.4545 -0.3382 -0.3382 0.0121 0.0219 0.3655 0.3655 0.4796 0.4796 2.0266 2.0266 2.0819 2.0858 8.2724 8.2724 8.6537 8.6537 8.7053 8.7063 10.0653 10.0653 k = 0.0000 0.0000 0.2133 ( 7892 PWs) bands (ev): -41.3163 -41.3163 -9.9834 -9.9834 -4.0185 -4.0185 -0.6313 -0.6313 -0.4754 -0.4691 -0.2767 -0.2767 0.0072 0.0164 0.3657 0.3657 0.4928 0.4928 2.0684 2.0684 2.1263 2.1300 8.1993 8.1993 8.5904 8.5904 8.6435 8.6445 10.0334 10.0334 k = 0.0000 0.0000 0.2251 ( 7916 PWs) bands (ev): -41.3164 -41.3164 -9.9771 -9.9771 -4.0750 -4.0750 -0.6340 -0.6340 -0.4889 -0.4831 -0.2130 -0.2130 0.0031 0.0115 0.3658 0.3658 0.5084 0.5084 2.1088 2.1088 2.1691 2.1726 8.1283 8.1283 8.5295 8.5295 8.5839 8.5849 10.0033 10.0033 k = 0.0000 0.0000 0.2370 ( 7916 PWs) bands (ev): -41.3164 -41.3164 -9.9711 -9.9711 -4.1270 -4.1270 -0.6407 -0.6407 -0.5018 -0.4965 -0.1521 -0.1521 -0.0006 0.0072 0.3660 0.3660 0.5265 0.5265 2.1473 2.1473 2.2099 2.2131 8.0603 8.0603 8.4716 8.4716 8.5273 8.5282 9.9752 9.9752 k = 0.0000 0.0000 0.2488 ( 7916 PWs) bands (ev): -41.3164 -41.3164 -9.9655 -9.9655 -4.1745 -4.1745 -0.6490 -0.6490 -0.5137 -0.5090 -0.0967 -0.0967 -0.0036 0.0033 0.3661 0.3661 0.5469 0.5469 2.1835 2.1835 2.2482 2.2511 7.9960 7.9960 8.4173 8.4173 8.4741 8.4750 9.9494 9.9494 k = 0.0000 0.0000 0.2607 ( 7928 PWs) bands (ev): -41.3164 -41.3164 -9.9602 -9.9602 -4.2173 -4.2173 -0.6577 -0.6577 -0.5247 -0.5205 -0.0481 -0.0481 -0.0062 0.0000 0.3662 0.3662 0.5694 0.5694 2.2172 2.2172 2.2837 2.2864 7.9360 7.9360 8.3672 8.3672 8.4250 8.4258 9.9259 9.9259 k = 0.0000 0.0000 0.2725 ( 7922 PWs) bands (ev): -41.3164 -41.3164 -9.9554 -9.9554 -4.2554 -4.2554 -0.6662 -0.6662 -0.5346 -0.5309 -0.0084 -0.0069 -0.0069 -0.0029 0.3663 0.3663 0.5932 0.5932 2.2478 2.2478 2.3161 2.3185 7.8811 7.8811 8.3216 8.3216 8.3803 8.3811 9.9049 9.9049 k = 0.0000 0.0000 0.2844 ( 7922 PWs) bands (ev): -41.3164 -41.3164 -9.9510 -9.9510 -4.2886 -4.2886 -0.6741 -0.6741 -0.5434 -0.5402 -0.0101 -0.0054 0.0271 0.0271 0.3664 0.3664 0.6172 0.6172 2.2751 2.2751 2.3449 2.3470 7.8320 7.8320 8.2812 8.2812 8.3407 8.3413 9.8866 9.8866 k = 0.0000 0.0000 0.2962 ( 7922 PWs) bands (ev): -41.3164 -41.3164 -9.9473 -9.9473 -4.3168 -4.3168 -0.6810 -0.6810 -0.5509 -0.5482 -0.0114 -0.0076 0.0543 0.0543 0.3665 0.3665 0.6405 0.6405 2.2988 2.2988 2.3700 2.3717 7.7892 7.7892 8.2462 8.2462 8.3063 8.3069 9.8708 9.8708 k = 0.0000 0.0000 0.3081 ( 7922 PWs) bands (ev): -41.3164 -41.3164 -9.9442 -9.9442 -4.3400 -4.3400 -0.6869 -0.6869 -0.5570 -0.5549 -0.0124 -0.0093 0.0753 0.0753 0.3666 0.3666 0.6615 0.6615 2.3185 2.3185 2.3909 2.3923 7.7533 7.7533 8.2170 8.2170 8.2778 8.2782 9.8579 9.8579 k = 0.0000 0.0000 0.3199 ( 7934 PWs) bands (ev): -41.3164 -41.3164 -9.9417 -9.9417 -4.3581 -4.3581 -0.6916 -0.6916 -0.5618 -0.5602 -0.0131 -0.0108 0.0909 0.0909 0.3666 0.3666 0.6793 0.6793 2.3342 2.3342 2.4074 2.4085 7.7249 7.7249 8.1940 8.1940 8.2552 8.2556 9.8478 9.8478 k = 0.0000 0.0000 0.3318 ( 7922 PWs) bands (ev): -41.3164 -41.3164 -9.9399 -9.9399 -4.3710 -4.3710 -0.6950 -0.6950 -0.5652 -0.5641 -0.0135 -0.0119 0.1016 0.1016 0.3667 0.3667 0.6927 0.6927 2.3455 2.3455 2.4195 2.4202 7.7042 7.7042 8.1774 8.1774 8.2389 8.2392 9.8405 9.8405 k = 0.0000 0.0000 0.3436 ( 7922 PWs) bands (ev): -41.3164 -41.3164 -9.9388 -9.9388 -4.3788 -4.3788 -0.6970 -0.6970 -0.5671 -0.5666 -0.0135 -0.0128 0.1078 0.1078 0.3667 0.3667 0.7011 0.7011 2.3523 2.3523 2.4268 2.4272 7.6917 7.6917 8.1674 8.1674 8.2291 8.2293 9.8361 9.8361 k = 0.0000 0.0000 0.3555 ( 7916 PWs) bands (ev): -41.3164 -41.3164 -9.9384 -9.9384 -4.3814 -4.3814 -0.6977 -0.6977 -0.5676 -0.5676 -0.0133 -0.0133 0.1098 0.1098 0.3667 0.3667 0.7039 0.7039 2.3546 2.3546 2.4294 2.4294 7.6876 7.6876 8.1640 8.1640 8.2259 8.2259 9.8347 9.8347 k = 0.0000 0.0000 0.3555 ( 7916 PWs) bands (ev): -41.3164 -41.3164 -9.9384 -9.9384 -4.3814 -4.3814 -0.6977 -0.6977 -0.5676 -0.5676 -0.0133 -0.0133 0.1098 0.1098 0.3667 0.3667 0.7039 0.7039 2.3546 2.3546 2.4294 2.4294 7.6876 7.6876 8.1640 8.1640 8.2259 8.2259 9.8347 9.8347 k = 0.0104 0.0060 0.3555 ( 7926 PWs) bands (ev): -41.3164 -41.3164 -9.9383 -9.9383 -4.3811 -4.3811 -0.6982 -0.6982 -0.5680 -0.5680 -0.0133 -0.0133 0.1107 0.1107 0.3668 0.3668 0.7046 0.7046 2.3539 2.3539 2.4287 2.4287 7.6842 7.6842 8.1639 8.1639 8.2254 8.2254 9.8361 9.8361 k = 0.0208 0.0120 0.3555 ( 7926 PWs) bands (ev): -41.3164 -41.3164 -9.9378 -9.9378 -4.3801 -4.3801 -0.6994 -0.6994 -0.5694 -0.5694 -0.0135 -0.0135 0.1136 0.1136 0.3671 0.3671 0.7068 0.7068 2.3517 2.3517 2.4266 2.4266 7.6740 7.6740 8.1635 8.1635 8.2241 8.2241 9.8405 9.8405 k = 0.0312 0.0180 0.3555 ( 7928 PWs) bands (ev): -41.3163 -41.3163 -9.9370 -9.9370 -4.3785 -4.3785 -0.7016 -0.7016 -0.5717 -0.5717 -0.0137 -0.0137 0.1183 0.1183 0.3677 0.3677 0.7103 0.7103 2.3481 2.3481 2.4233 2.4233 7.6571 7.6571 8.1628 8.1628 8.2222 8.2222 9.8478 9.8478 k = 0.0417 0.0241 0.3555 ( 7926 PWs) bands (ev): -41.3163 -41.3163 -9.9358 -9.9358 -4.3763 -4.3763 -0.7047 -0.7047 -0.5748 -0.5748 -0.0140 -0.0140 0.1249 0.1249 0.3685 0.3685 0.7153 0.7153 2.3429 2.3429 2.4187 2.4187 7.6333 7.6333 8.1614 8.1614 8.2202 8.2202 9.8578 9.8578 k = 0.0521 0.0301 0.3555 ( 7918 PWs) bands (ev): -41.3163 -41.3163 -9.9343 -9.9343 -4.3735 -4.3735 -0.7088 -0.7088 -0.5787 -0.5787 -0.0144 -0.0144 0.1334 0.1334 0.3696 0.3696 0.7215 0.7215 2.3362 2.3362 2.4130 2.4130 7.6026 7.6026 8.1590 8.1590 8.2188 8.2188 9.8707 9.8707 k = 0.0625 0.0361 0.3555 ( 7922 PWs) bands (ev): -41.3163 -41.3163 -9.9326 -9.9326 -4.3700 -4.3700 -0.7139 -0.7139 -0.5833 -0.5833 -0.0149 -0.0149 0.1438 0.1438 0.3710 0.3710 0.7290 0.7290 2.3278 2.3278 2.4063 2.4063 7.5652 7.5652 8.1550 8.1550 8.2186 8.2186 9.8862 9.8862 k = 0.0729 0.0421 0.3555 ( 7922 PWs) bands (ev): -41.3163 -41.3163 -9.9305 -9.9305 -4.3660 -4.3660 -0.7201 -0.7201 -0.5885 -0.5885 -0.0155 -0.0155 0.1562 0.1562 0.3729 0.3729 0.7377 0.7377 2.3178 2.3178 2.3988 2.3988 7.5212 7.5212 8.1490 8.1490 8.2206 8.2206 9.9044 9.9044 k = 0.0833 0.0481 0.3555 ( 7924 PWs) bands (ev): -41.3163 -41.3163 -9.9281 -9.9281 -4.3614 -4.3614 -0.7275 -0.7275 -0.5941 -0.5941 -0.0162 -0.0162 0.1704 0.1704 0.3751 0.3751 0.7474 0.7474 2.3061 2.3061 2.3907 2.3907 7.4707 7.4707 8.1407 8.1407 8.2250 8.2250 9.9250 9.9250 k = 0.0938 0.0541 0.3555 ( 7916 PWs) bands (ev): -41.3162 -41.3162 -9.9254 -9.9254 -4.3562 -4.3562 -0.7361 -0.7361 -0.6001 -0.6001 -0.0170 -0.0170 0.1864 0.1864 0.3780 0.3780 0.7581 0.7581 2.2926 2.2926 2.3820 2.3820 7.4141 7.4141 8.1302 8.1302 8.2318 8.2318 9.9480 9.9480 k = 0.1042 0.0601 0.3555 ( 7908 PWs) bands (ev): -41.3162 -41.3162 -9.9224 -9.9224 -4.3505 -4.3505 -0.7460 -0.7460 -0.6063 -0.6063 -0.0179 -0.0179 0.2041 0.2041 0.3816 0.3816 0.7698 0.7698 2.2775 2.2775 2.3729 2.3729 7.3517 7.3517 8.1178 8.1178 8.2410 8.2410 9.9732 9.9732 k = 0.1146 0.0662 0.3555 ( 7910 PWs) bands (ev): -41.3162 -41.3162 -9.9192 -9.9192 -4.3443 -4.3443 -0.7572 -0.7572 -0.6126 -0.6126 -0.0190 -0.0190 0.2234 0.2234 0.3861 0.3861 0.7822 0.7822 2.2607 2.2607 2.3634 2.3634 7.2838 7.2838 8.1038 8.1038 8.2524 8.2524 10.0004 10.0004 k = 0.1250 0.0722 0.3555 ( 7916 PWs) bands (ev): -41.3161 -41.3161 -9.9157 -9.9157 -4.3376 -4.3376 -0.7697 -0.7697 -0.6190 -0.6190 -0.0202 -0.0202 0.2440 0.2440 0.3919 0.3919 0.7954 0.7954 2.2425 2.2425 2.3536 2.3536 7.2109 7.2109 8.0884 8.0884 8.2658 8.2658 10.0295 10.0295 k = 0.1354 0.0782 0.3555 ( 7918 PWs) bands (ev): -41.3161 -41.3161 -9.9120 -9.9120 -4.3305 -4.3305 -0.7834 -0.7834 -0.6254 -0.6254 -0.0216 -0.0216 0.2655 0.2655 0.3994 0.3994 0.8093 0.8093 2.2229 2.2229 2.3435 2.3435 7.1333 7.1333 8.0716 8.0716 8.2813 8.2813 10.0602 10.0602 k = 0.1458 0.0842 0.3555 ( 7926 PWs) bands (ev): -41.3161 -41.3161 -9.9080 -9.9080 -4.3229 -4.3229 -0.7984 -0.7984 -0.6318 -0.6318 -0.0231 -0.0231 0.2871 0.2871 0.4092 0.4092 0.8237 0.8237 2.2021 2.2021 2.3331 2.3331 7.0514 7.0514 8.0538 8.0538 8.2986 8.2986 10.0924 10.0924 k = 0.1562 0.0902 0.3555 ( 7934 PWs) bands (ev): -41.3160 -41.3160 -9.9038 -9.9038 -4.3149 -4.3149 -0.8145 -0.8145 -0.6381 -0.6381 -0.0249 -0.0249 0.3079 0.3079 0.4224 0.4224 0.8385 0.8385 2.1801 2.1801 2.3226 2.3226 6.9656 6.9656 8.0349 8.0349 8.3178 8.3178 10.1259 10.1259 k = 0.1667 0.0962 0.3555 ( 7922 PWs) bands (ev): -41.3160 -41.3160 -9.8995 -9.8995 -4.3066 -4.3066 -0.8316 -0.8316 -0.6443 -0.6443 -0.0269 -0.0269 0.3269 0.3269 0.4401 0.4401 0.8538 0.8538 2.1573 2.1573 2.3119 2.3119 6.8762 6.8762 8.0152 8.0152 8.3389 8.3389 10.1605 10.1605 k = 0.1771 0.1022 0.3555 ( 7902 PWs) bands (ev): -41.3159 -41.3159 -9.8949 -9.8949 -4.2979 -4.2979 -0.8496 -0.8496 -0.6505 -0.6505 -0.0291 -0.0291 0.3433 0.3433 0.4628 0.4628 0.8695 0.8695 2.1336 2.1336 2.3010 2.3010 6.7837 6.7837 7.9948 7.9948 8.3618 8.3618 10.1958 10.1958 k = 0.1875 0.1083 0.3555 ( 7904 PWs) bands (ev): -41.3159 -41.3159 -9.8902 -9.8902 -4.2890 -4.2890 -0.8684 -0.8684 -0.6566 -0.6566 -0.0315 -0.0315 0.3570 0.3570 0.4907 0.4907 0.8854 0.8854 2.1093 2.1093 2.2900 2.2900 6.6884 6.6884 7.9736 7.9736 8.3865 8.3865 10.2317 10.2317 k = 0.1979 0.1143 0.3555 ( 7912 PWs) bands (ev): -41.3159 -41.3159 -9.8853 -9.8853 -4.2798 -4.2798 -0.8878 -0.8878 -0.6627 -0.6627 -0.0342 -0.0342 0.3687 0.3687 0.5231 0.5231 0.9016 0.9016 2.0845 2.0845 2.2789 2.2789 6.5905 6.5905 7.9520 7.9520 8.4129 8.4129 10.2679 10.2679 k = 0.2083 0.1203 0.3555 ( 7908 PWs) bands (ev): -41.3158 -41.3158 -9.8803 -9.8803 -4.2704 -4.2704 -0.9079 -0.9079 -0.6686 -0.6686 -0.0371 -0.0371 0.3789 0.3789 0.5593 0.5593 0.9180 0.9180 2.0593 2.0593 2.2678 2.2678 6.4905 6.4905 7.9298 7.9298 8.4412 8.4412 10.3042 10.3042 k = 0.2188 0.1263 0.3555 ( 7908 PWs) bands (ev): -41.3158 -41.3158 -9.8752 -9.8752 -4.2608 -4.2608 -0.9284 -0.9284 -0.6746 -0.6746 -0.0403 -0.0403 0.3883 0.3883 0.5986 0.5986 0.9346 0.9346 2.0339 2.0339 2.2566 2.2566 6.3885 6.3885 7.9073 7.9073 8.4714 8.4714 10.3403 10.3403 k = 0.2292 0.1323 0.3555 ( 7910 PWs) bands (ev): -41.3157 -41.3157 -9.8700 -9.8700 -4.2511 -4.2511 -0.9492 -0.9492 -0.6805 -0.6805 -0.0436 -0.0436 0.3971 0.3971 0.6406 0.6406 0.9514 0.9514 2.0084 2.0084 2.2455 2.2455 6.2849 6.2849 7.8846 7.8846 8.5033 8.5033 10.3760 10.3760 k = 0.2396 0.1383 0.3555 ( 7918 PWs) bands (ev): -41.3157 -41.3157 -9.8648 -9.8648 -4.2413 -4.2413 -0.9702 -0.9702 -0.6863 -0.6863 -0.0472 -0.0472 0.4057 0.4057 0.6847 0.6847 0.9684 0.9684 1.9829 1.9829 2.2344 2.2344 6.1800 6.1800 7.8617 7.8617 8.5371 8.5371 10.4110 10.4110 k = 0.2500 0.1443 0.3555 ( 7906 PWs) bands (ev): -41.3156 -41.3156 -9.8595 -9.8595 -4.2314 -4.2314 -0.9913 -0.9913 -0.6921 -0.6921 -0.0509 -0.0509 0.4142 0.4142 0.7307 0.7307 0.9857 0.9857 1.9576 1.9576 2.2234 2.2234 6.0740 6.0740 7.8388 7.8388 8.5727 8.5727 10.4451 10.4451 k = 0.2604 0.1504 0.3555 ( 7910 PWs) bands (ev): -41.3156 -41.3156 -9.8542 -9.8542 -4.2216 -4.2216 -1.0124 -1.0124 -0.6978 -0.6978 -0.0548 -0.0548 0.4226 0.4226 0.7781 0.7781 1.0034 1.0034 1.9325 1.9325 2.2126 2.2126 5.9671 5.9671 7.8159 7.8159 8.6102 8.6102 10.4781 10.4781 k = 0.2708 0.1564 0.3555 ( 7898 PWs) bands (ev): -41.3155 -41.3155 -9.8489 -9.8489 -4.2118 -4.2118 -1.0334 -1.0334 -0.7034 -0.7034 -0.0588 -0.0588 0.4310 0.4310 0.8265 0.8265 1.0218 1.0218 1.9078 1.9078 2.2020 2.2020 5.8598 5.8598 7.7931 7.7931 8.6496 8.6496 10.5098 10.5098 k = 0.2812 0.1624 0.3555 ( 7902 PWs) bands (ev): -41.3155 -41.3155 -9.8436 -9.8436 -4.2020 -4.2020 -1.0543 -1.0543 -0.7089 -0.7089 -0.0629 -0.0629 0.4393 0.4393 0.8750 0.8750 1.0415 1.0415 1.8836 1.8836 2.1916 2.1916 5.7522 5.7522 7.7706 7.7706 8.6909 8.6909 10.5400 10.5400 k = 0.2917 0.1684 0.3555 ( 7914 PWs) bands (ev): -41.3155 -41.3155 -9.8384 -9.8384 -4.1924 -4.1924 -1.0748 -1.0748 -0.7143 -0.7143 -0.0671 -0.0671 0.4477 0.4477 0.9224 0.9224 1.0633 1.0633 1.8600 1.8600 2.1815 2.1815 5.6446 5.6446 7.7484 7.7484 8.7342 8.7342 10.5687 10.5687 k = 0.3021 0.1744 0.3555 ( 7914 PWs) bands (ev): -41.3154 -41.3154 -9.8333 -9.8333 -4.1830 -4.1830 -1.0949 -1.0949 -0.7196 -0.7196 -0.0714 -0.0714 0.4560 0.4560 0.9668 0.9668 1.0892 1.0892 1.8373 1.8373 2.1717 2.1717 5.5372 5.5372 7.7266 7.7266 8.7794 8.7794 10.5956 10.5956 k = 0.3125 0.1804 0.3555 ( 7910 PWs) bands (ev): -41.3154 -41.3154 -9.8282 -9.8282 -4.1737 -4.1737 -1.1146 -1.1146 -0.7248 -0.7248 -0.0756 -0.0756 0.4643 0.4643 1.0054 1.0054 1.1215 1.1215 1.8154 1.8154 2.1622 2.1622 5.4305 5.4305 7.7054 7.7054 8.8265 8.8265 10.6207 10.6207 k = 0.3229 0.1864 0.3555 ( 7910 PWs) bands (ev): -41.3153 -41.3153 -9.8233 -9.8233 -4.1647 -4.1647 -1.1337 -1.1337 -0.7298 -0.7298 -0.0799 -0.0799 0.4724 0.4724 1.0366 1.0366 1.1615 1.1615 1.7947 1.7947 2.1532 2.1532 5.3245 5.3245 7.6847 7.6847 8.8756 8.8756 10.6439 10.6439 k = 0.3333 0.1925 0.3555 ( 7910 PWs) bands (ev): -41.3153 -41.3153 -9.8185 -9.8185 -4.1560 -4.1560 -1.1522 -1.1522 -0.7346 -0.7346 -0.0841 -0.0841 0.4804 0.4804 1.0613 1.0613 1.2079 1.2079 1.7753 1.7753 2.1445 2.1445 5.2197 5.2197 7.6647 7.6647 8.9267 8.9267 10.6653 10.6653 k = 0.3438 0.1985 0.3555 ( 7906 PWs) bands (ev): -41.3152 -41.3152 -9.8139 -9.8139 -4.1476 -4.1476 -1.1700 -1.1700 -0.7392 -0.7392 -0.0882 -0.0882 0.4881 0.4881 1.0814 1.0814 1.2580 1.2580 1.7578 1.7578 2.1363 2.1363 5.1165 5.1165 7.6455 7.6455 8.9798 8.9798 10.6848 10.6848 k = 0.3542 0.2045 0.3555 ( 7896 PWs) bands (ev): -41.3152 -41.3152 -9.8094 -9.8094 -4.1395 -4.1395 -1.1870 -1.1870 -0.7437 -0.7437 -0.0922 -0.0922 0.4957 0.4957 1.0987 1.0987 1.3095 1.3095 1.7424 1.7424 2.1286 2.1286 5.0151 5.0151 7.6271 7.6271 9.0348 9.0348 10.7024 10.7024 k = 0.3646 0.2105 0.3555 ( 7888 PWs) bands (ev): -41.3152 -41.3152 -9.8052 -9.8052 -4.1319 -4.1319 -1.2032 -1.2032 -0.7479 -0.7479 -0.0960 -0.0960 0.5029 0.5029 1.1142 1.1142 1.3602 1.3602 1.7301 1.7301 2.1214 2.1214 4.9160 4.9160 7.6097 7.6097 9.0918 9.0918 10.7183 10.7183 k = 0.3750 0.2165 0.3555 ( 7892 PWs) bands (ev): -41.3151 -41.3151 -9.8012 -9.8012 -4.1247 -4.1247 -1.2184 -1.2184 -0.7518 -0.7518 -0.0997 -0.0997 0.5098 0.5098 1.1283 1.1283 1.4080 1.4080 1.7222 1.7222 2.1149 2.1149 4.8197 4.8197 7.5932 7.5932 9.1508 9.1508 10.7325 10.7325 k = 0.3854 0.2225 0.3555 ( 7890 PWs) bands (ev): -41.3151 -41.3151 -9.7974 -9.7974 -4.1179 -4.1179 -1.2327 -1.2327 -0.7556 -0.7556 -0.1032 -0.1032 0.5164 0.5164 1.1413 1.1413 1.4503 1.4503 1.7205 1.7205 2.1089 2.1089 4.7265 4.7265 7.5778 7.5778 9.2117 9.2117 10.7450 10.7450 k = 0.3958 0.2285 0.3555 ( 7878 PWs) bands (ev): -41.3151 -41.3151 -9.7939 -9.7939 -4.1116 -4.1116 -1.2459 -1.2459 -0.7590 -0.7590 -0.1064 -0.1064 0.5225 0.5225 1.1533 1.1533 1.4840 1.4840 1.7274 1.7274 2.1037 2.1037 4.6372 4.6372 7.5635 7.5635 9.2744 9.2744 10.7560 10.7560 k = 0.4062 0.2345 0.3555 ( 7868 PWs) bands (ev): -41.3150 -41.3150 -9.7907 -9.7907 -4.1058 -4.1058 -1.2580 -1.2580 -0.7622 -0.7622 -0.1095 -0.1095 0.5282 0.5282 1.1645 1.1645 1.5069 1.5069 1.7445 1.7445 2.0992 2.0992 4.5524 4.5524 7.5504 7.5504 9.3389 9.3389 10.7655 10.7655 k = 0.4167 0.2406 0.3555 ( 7874 PWs) bands (ev): -41.3150 -41.3150 -9.7878 -9.7878 -4.1006 -4.1006 -1.2690 -1.2690 -0.7650 -0.7650 -0.1122 -0.1122 0.5334 0.5334 1.1748 1.1748 1.5193 1.5193 1.7707 1.7707 2.0955 2.0955 4.4727 4.4727 7.5385 7.5385 9.4050 9.4050 10.7735 10.7735 k = 0.4271 0.2466 0.3555 ( 7868 PWs) bands (ev): -41.3150 -41.3150 -9.7852 -9.7852 -4.0959 -4.0959 -1.2788 -1.2788 -0.7676 -0.7676 -0.1147 -0.1147 0.5380 0.5380 1.1841 1.1841 1.5239 1.5239 1.8026 1.8026 2.0928 2.0928 4.3991 4.3991 7.5279 7.5279 9.4724 9.4724 10.7778 10.7778 k = 0.4375 0.2526 0.3555 ( 7880 PWs) bands (ev): -41.3150 -41.3150 -9.7829 -9.7829 -4.0918 -4.0918 -1.2874 -1.2874 -0.7698 -0.7698 -0.1169 -0.1169 0.5421 0.5421 1.1925 1.1925 1.5237 1.5237 1.8362 1.8362 2.0912 2.0912 4.3323 4.3323 7.5186 7.5186 9.5408 9.5408 10.7041 10.7041 k = 0.4479 0.2586 0.3555 ( 7880 PWs) bands (ev): -41.3149 -41.3149 -9.7809 -9.7809 -4.0883 -4.0883 -1.2947 -1.2947 -0.7717 -0.7717 -0.1188 -0.1188 0.5456 0.5456 1.1998 1.1998 1.5212 1.5212 1.8683 1.8683 2.0907 2.0907 4.2734 4.2734 7.5107 7.5107 9.6094 9.6094 10.6100 10.6100 k = 0.4583 0.2646 0.3555 ( 7880 PWs) bands (ev): -41.3149 -41.3149 -9.7793 -9.7793 -4.0854 -4.0854 -1.3007 -1.3007 -0.7733 -0.7733 -0.1203 -0.1203 0.5485 0.5485 1.2060 1.2060 1.5178 1.5178 1.8964 1.8964 2.0913 2.0913 4.2233 4.2233 7.5042 7.5042 9.6771 9.6771 10.5212 10.5212 k = 0.4688 0.2706 0.3555 ( 7872 PWs) bands (ev): -41.3149 -41.3149 -9.7780 -9.7780 -4.0832 -4.0832 -1.3054 -1.3054 -0.7745 -0.7745 -0.1215 -0.1215 0.5508 0.5508 1.2110 1.2110 1.5144 1.5144 1.9191 1.9191 2.0929 2.0929 4.1830 4.1830 7.4991 7.4991 9.7417 9.7417 10.4401 10.4401 k = 0.4792 0.2766 0.3555 ( 7876 PWs) bands (ev): -41.3149 -41.3149 -9.7771 -9.7771 -4.0816 -4.0816 -1.3088 -1.3088 -0.7754 -0.7754 -0.1224 -0.1224 0.5525 0.5525 1.2146 1.2146 1.5117 1.5117 1.9354 1.9354 2.0948 2.0948 4.1535 4.1535 7.4954 7.4954 9.7990 9.7990 10.3710 10.3710 k = 0.4896 0.2827 0.3555 ( 7872 PWs) bands (ev): -41.3149 -41.3149 -9.7766 -9.7766 -4.0806 -4.0806 -1.3108 -1.3108 -0.7759 -0.7759 -0.1229 -0.1229 0.5535 0.5535 1.2168 1.2168 1.5099 1.5099 1.9451 1.9451 2.0965 2.0965 4.1355 4.1355 7.4932 7.4932 9.8412 9.8412 10.3217 10.3217 k = 0.5000 0.2887 0.3555 ( 7880 PWs) bands (ev): -41.3149 -41.3149 -9.7764 -9.7764 -4.0803 -4.0803 -1.3115 -1.3115 -0.7761 -0.7761 -0.1231 -0.1231 0.5538 0.5538 1.2175 1.2175 1.5093 1.5093 1.9483 1.9483 2.0972 2.0972 4.1294 4.1294 7.4925 7.4925 9.8574 9.8574 10.3031 10.3031 k = 0.5000 0.2887 0.3555 ( 7880 PWs) bands (ev): -41.3149 -41.3149 -9.7764 -9.7764 -4.0803 -4.0803 -1.3115 -1.3115 -0.7761 -0.7761 -0.1231 -0.1231 0.5538 0.5538 1.2175 1.2175 1.5093 1.5093 1.9483 1.9483 2.0972 2.0972 4.1294 4.1294 7.4925 7.4925 9.8574 9.8574 10.3031 10.3031 k = 0.4940 0.2990 0.3555 ( 7880 PWs) bands (ev): -41.3149 -41.3149 -9.7763 -9.7763 -4.0802 -4.0802 -1.3119 -1.3106 -0.7776 -0.7757 -0.1235 -0.1219 0.5528 0.5540 1.2175 1.2180 1.5062 1.5124 1.9455 1.9512 2.0967 2.0970 4.1309 4.1313 7.4859 7.4878 9.8598 9.8599 10.3039 10.3046 k = 0.4881 0.3093 0.3555 ( 7880 PWs) bands (ev): -41.3149 -41.3149 -9.7762 -9.7762 -4.0799 -4.0799 -1.3118 -1.3092 -0.7803 -0.7765 -0.1232 -0.1200 0.5510 0.5535 1.2179 1.2188 1.5032 1.5156 1.9426 1.9541 2.0955 2.0961 4.1357 4.1364 7.4683 7.4721 9.8673 9.8674 10.3070 10.3082 k = 0.4821 0.3196 0.3555 ( 7868 PWs) bands (ev): -41.3149 -41.3149 -9.7759 -9.7759 -4.0794 -4.0794 -1.3112 -1.3073 -0.7841 -0.7783 -0.1221 -0.1173 0.5484 0.5522 1.2187 1.2200 1.5003 1.5189 1.9395 1.9571 2.0936 2.0948 4.1439 4.1449 7.4399 7.4456 9.8794 9.8795 10.3122 10.3141 k = 0.4762 0.3299 0.3555 ( 7872 PWs) bands (ev): -41.3149 -41.3149 -9.7754 -9.7754 -4.0787 -4.0787 -1.3101 -1.3048 -0.7891 -0.7813 -0.1203 -0.1139 0.5451 0.5501 1.2198 1.2216 1.4974 1.5222 1.9362 1.9602 2.0909 2.0930 4.1553 4.1567 7.4013 7.4089 9.8959 9.8960 10.3197 10.3222 k = 0.4702 0.3402 0.3555 ( 7860 PWs) bands (ev): -41.3149 -41.3149 -9.7749 -9.7749 -4.0778 -4.0778 -1.3085 -1.3019 -0.7951 -0.7853 -0.1177 -0.1098 0.5410 0.5473 1.2214 1.2236 1.4945 1.5257 1.9326 1.9634 2.0876 2.0909 4.1699 4.1717 7.3533 7.3626 9.9164 9.9164 10.3294 10.3324 k = 0.4643 0.3505 0.3555 ( 7860 PWs) bands (ev): -41.3149 -41.3149 -9.7743 -9.7743 -4.0767 -4.0767 -1.3065 -1.2984 -0.8023 -0.7904 -0.1145 -0.1049 0.5363 0.5439 1.2233 1.2260 1.4917 1.5293 1.9285 1.9668 2.0836 2.0887 4.1878 4.1900 7.2966 7.3076 9.9402 9.9402 10.3413 10.3448 k = 0.4583 0.3608 0.3555 ( 7864 PWs) bands (ev): -41.3149 -41.3149 -9.7736 -9.7736 -4.0755 -4.0755 -1.3040 -1.2944 -0.8104 -0.7965 -0.1106 -0.0995 0.5310 0.5399 1.2256 1.2286 1.4888 1.5330 1.9240 1.9703 2.0791 2.0865 4.2087 4.2113 7.2320 7.2447 9.9670 9.9671 10.3554 10.3594 k = 0.4524 0.3712 0.3555 ( 7860 PWs) bands (ev): -41.3149 -41.3149 -9.7727 -9.7727 -4.0741 -4.0741 -1.3011 -1.2899 -0.8196 -0.8034 -0.1062 -0.0934 0.5251 0.5354 1.2282 1.2316 1.4860 1.5368 1.9188 1.9740 2.0742 2.0845 4.2327 4.2358 7.1605 7.1748 9.9963 9.9965 10.3716 10.3761 k = 0.4464 0.3815 0.3555 ( 7848 PWs) bands (ev): -41.3148 -41.3148 -9.7718 -9.7718 -4.0726 -4.0726 -1.2978 -1.2849 -0.8298 -0.8113 -0.1012 -0.0867 0.5187 0.5304 1.2311 1.2348 1.4831 1.5407 1.9129 1.9777 2.0690 2.0829 4.2597 4.2633 7.0830 7.0988 10.0278 10.0280 10.3901 10.3948 k = 0.4405 0.3918 0.3555 ( 7844 PWs) bands (ev): -41.3148 -41.3148 -9.7708 -9.7708 -4.0709 -4.0709 -1.2941 -1.2794 -0.8409 -0.8200 -0.0957 -0.0795 0.5120 0.5251 1.2343 1.2383 1.4802 1.5447 1.9062 1.9814 2.0637 2.0818 4.2895 4.2938 7.0002 7.0175 10.0609 10.0612 10.4106 10.4155 k = 0.4345 0.4021 0.3555 ( 7856 PWs) bands (ev): -41.3148 -41.3148 -9.7698 -9.7698 -4.0692 -4.0692 -1.2901 -1.2734 -0.8528 -0.8293 -0.0897 -0.0720 0.5049 0.5194 1.2377 1.2420 1.4773 1.5489 1.8988 1.9849 2.0585 2.0813 4.3221 4.3271 6.9130 6.9319 10.0956 10.0959 10.4332 10.4383 k = 0.4286 0.4124 0.3555 ( 7856 PWs) bands (ev): -41.3148 -41.3148 -9.7687 -9.7687 -4.0673 -4.0673 -1.2857 -1.2669 -0.8655 -0.8393 -0.0835 -0.0640 0.4976 0.5135 1.2413 1.2459 1.4744 1.5531 1.8906 1.9880 2.0538 2.0816 4.3574 4.3631 6.8222 6.8426 10.1316 10.1318 10.4578 10.4630 k = 0.4226 0.4227 0.3555 ( 7872 PWs) bands (ev): -41.3148 -41.3148 -9.7675 -9.7675 -4.0654 -4.0654 -1.2811 -1.2599 -0.8789 -0.8499 -0.0770 -0.0558 0.4901 0.5076 1.2452 1.2499 1.4714 1.5575 1.8817 1.9904 2.0501 2.0825 4.3952 4.4017 6.7284 6.7505 10.1687 10.1687 10.4844 10.4896 k = 0.4167 0.4330 0.3555 ( 7868 PWs) bands (ev): -41.3148 -41.3148 -9.7664 -9.7664 -4.0634 -4.0634 -1.2762 -1.2525 -0.8929 -0.8608 -0.0703 -0.0475 0.4827 0.5016 1.2492 1.2540 1.4683 1.5619 1.8721 1.9915 2.0478 2.0843 4.4354 4.4429 6.6325 6.6562 10.2066 10.2068 10.5129 10.5180 k = 0.4107 0.4433 0.3555 ( 7870 PWs) bands (ev): -41.3148 -41.3148 -9.7652 -9.7652 -4.0614 -4.0614 -1.2711 -1.2447 -0.9074 -0.8721 -0.0636 -0.0390 0.4753 0.4957 1.2533 1.2582 1.4652 1.5664 1.8621 1.9912 2.0474 2.0868 4.4778 4.4865 6.5351 6.5605 10.2454 10.2458 10.5433 10.5482 k = 0.4048 0.4536 0.3555 ( 7878 PWs) bands (ev): -41.3148 -41.3148 -9.7640 -9.7640 -4.0594 -4.0594 -1.2659 -1.2364 -0.9224 -0.8835 -0.0570 -0.0307 0.4680 0.4899 1.2575 1.2624 1.4621 1.5710 1.8517 1.9892 2.0489 2.0900 4.5222 4.5323 6.4368 6.4641 10.2851 10.2858 10.5754 10.5802 k = 0.3988 0.4639 0.3555 ( 7862 PWs) bands (ev): -41.3148 -41.3148 -9.7628 -9.7628 -4.0574 -4.0574 -1.2606 -1.2276 -0.9377 -0.8950 -0.0505 -0.0225 0.4610 0.4844 1.2618 1.2665 1.4589 1.5755 1.8412 1.9860 2.0522 2.0939 4.5685 4.5802 6.3382 6.3677 10.3256 10.3266 10.6092 10.6138 k = 0.3929 0.4743 0.3555 ( 7862 PWs) bands (ev): -41.3148 -41.3148 -9.7616 -9.7616 -4.0554 -4.0554 -1.2553 -1.2185 -0.9533 -0.9063 -0.0442 -0.0146 0.4544 0.4793 1.2661 1.2706 1.4556 1.5800 1.8306 1.9820 2.0568 2.0982 4.6163 4.6299 6.2401 6.2719 10.3670 10.3684 10.6447 10.6491 k = 0.3869 0.4846 0.3555 ( 7858 PWs) bands (ev): -41.3148 -41.3148 -9.7605 -9.7605 -4.0536 -4.0535 -1.2501 -1.2090 -0.9690 -0.9173 -0.0383 -0.0072 0.4483 0.4745 1.2704 1.2746 1.4523 1.5844 1.8202 1.9776 2.0623 2.1030 4.6654 4.6813 6.1430 6.1776 10.4092 10.4110 10.6816 10.6858 k = 0.3810 0.4949 0.3555 ( 7852 PWs) bands (ev): -41.3147 -41.3147 -9.7594 -9.7594 -4.0518 -4.0518 -1.2451 -1.1992 -0.9847 -0.9278 -0.0329 -0.0003 0.4427 0.4702 1.2746 1.2784 1.4490 1.5886 1.8102 1.9731 2.0683 2.1082 4.7153 4.7340 6.0477 6.0854 10.4523 10.4545 10.7200 10.7241 k = 0.3750 0.5052 0.3555 ( 7852 PWs) bands (ev): -41.3147 -41.3147 -9.7585 -9.7585 -4.0501 -4.0501 -1.2404 -1.1890 -1.0003 -0.9377 -0.0280 0.0060 0.4377 0.4665 1.2786 1.2820 1.4457 1.5925 1.8007 1.9688 2.0745 2.1135 4.7654 4.7876 5.9550 5.9965 10.4963 10.4989 10.7596 10.7639 k = 0.3690 0.5155 0.3555 ( 7860 PWs) bands (ev): -41.3147 -41.3147 -9.7575 -9.7575 -4.0486 -4.0485 -1.2360 -1.1786 -1.0156 -0.9468 -0.0237 0.0115 0.4335 0.4633 1.2825 1.2853 1.4425 1.5961 1.7921 1.9648 2.0808 2.1188 4.8151 4.8415 5.8660 5.9120 10.5411 10.5440 10.8003 10.8050 k = 0.3631 0.5258 0.3555 ( 7860 PWs) bands (ev): -41.3147 -41.3147 -9.7567 -9.7567 -4.0472 -4.0472 -1.2321 -1.1680 -1.0306 -0.9548 -0.0201 0.0162 0.4299 0.4607 1.2860 1.2882 1.4395 1.5992 1.7844 1.9613 2.0869 2.1239 4.8632 4.8948 5.7817 5.8332 10.5866 10.5897 10.8418 10.8475 k = 0.3571 0.5361 0.3555 ( 7860 PWs) bands (ev): -41.3147 -41.3147 -9.7560 -9.7560 -4.0460 -4.0460 -1.2289 -1.1572 -1.0451 -0.9616 -0.0171 0.0201 0.4271 0.4586 1.2892 1.2908 1.4368 1.6018 1.7779 1.9583 2.0924 2.1287 4.9082 4.9462 5.7041 5.7622 10.6324 10.6355 10.8836 10.8912 k = 0.3512 0.5464 0.3555 ( 7866 PWs) bands (ev): -41.3147 -41.3147 -9.7555 -9.7555 -4.0451 -4.0451 -1.2263 -1.1467 -1.0587 -0.9671 -0.0149 0.0230 0.4249 0.4571 1.2919 1.2929 1.4344 1.6037 1.7728 1.9559 2.0973 2.1328 4.9481 4.9935 5.6358 5.7015 10.6778 10.6805 10.9247 10.9361 k = 0.3452 0.5567 0.3555 ( 7862 PWs) bands (ev): -41.3147 -41.3147 -9.7551 -9.7551 -4.0444 -4.0444 -1.2245 -1.1367 -1.0709 -0.9711 -0.0133 0.0251 0.4235 0.4561 1.2940 1.2945 1.4325 1.6051 1.7691 1.9542 2.1011 2.1361 4.9798 5.0333 5.5805 5.6543 10.7208 10.7229 10.9626 10.9819 k = 0.3393 0.5670 0.3555 ( 7862 PWs) bands (ev): -41.3147 -41.3147 -9.7548 -9.7548 -4.0439 -4.0439 -1.2234 -1.1286 -1.0803 -0.9735 -0.0124 0.0263 0.4227 0.4555 1.2954 1.2955 1.4313 1.6058 1.7669 1.9531 2.1036 2.1383 5.0003 5.0604 5.5437 5.6243 10.7570 10.7578 10.9905 11.0278 k = 0.3333 0.5774 0.3555 ( 7854 PWs) bands (ev): -41.3147 -41.3147 -9.7547 -9.7547 -4.0438 -4.0438 -1.2230 -1.1252 -1.0842 -0.9743 -0.0121 0.0267 0.4225 0.4554 1.2959 1.2959 1.4309 1.6060 1.7662 1.9528 2.1045 2.1391 5.0073 5.0700 5.5308 5.6140 10.7737 10.7738 10.9979 11.0609 k = 0.3333 0.5774 0.3555 ( 7854 PWs) bands (ev): -41.3147 -41.3147 -9.7547 -9.7547 -4.0438 -4.0438 -1.2230 -1.1252 -1.0842 -0.9743 -0.0121 0.0267 0.4225 0.4554 1.2959 1.2959 1.4309 1.6060 1.7662 1.9528 2.1045 2.1391 5.0073 5.0700 5.5308 5.6140 10.7737 10.7738 10.9979 11.0609 k = 0.3274 0.5670 0.3555 ( 7854 PWs) bands (ev): -41.3147 -41.3147 -9.7548 -9.7548 -4.0439 -4.0439 -1.2233 -1.1285 -1.0805 -0.9735 -0.0123 0.0263 0.4227 0.4555 1.2954 1.2955 1.4313 1.6058 1.7669 1.9531 2.1035 2.1382 5.0008 5.0610 5.5432 5.6239 10.7510 10.7522 11.0043 11.0492 k = 0.3214 0.5567 0.3555 ( 7858 PWs) bands (ev): -41.3147 -41.3147 -9.7551 -9.7551 -4.0444 -4.0444 -1.2242 -1.1358 -1.0716 -0.9712 -0.0131 0.0253 0.4233 0.4559 1.2938 1.2944 1.4328 1.6055 1.7687 1.9542 2.1002 2.1354 4.9838 5.0381 5.5767 5.6514 10.6891 10.6919 11.0342 11.0671 k = 0.3155 0.5464 0.3555 ( 7862 PWs) bands (ev): -41.3147 -41.3147 -9.7556 -9.7556 -4.0453 -4.0452 -1.2254 -1.1443 -1.0605 -0.9675 -0.0144 0.0237 0.4241 0.4564 1.2911 1.2924 1.4353 1.6052 1.7715 1.9559 2.0944 2.1303 4.9604 5.0078 5.6251 5.6927 10.6073 10.6108 11.0808 11.1084 k = 0.3095 0.5361 0.3555 ( 7866 PWs) bands (ev): -41.3147 -41.3147 -9.7563 -9.7563 -4.0465 -4.0465 -1.2268 -1.1528 -1.0485 -0.9626 -0.0160 0.0216 0.4251 0.4570 1.2874 1.2896 1.4389 1.6051 1.7750 1.9584 2.0857 2.1229 4.9347 4.9757 5.6831 5.7442 10.5181 10.5216 11.1360 11.1615 k = 0.3036 0.5258 0.3555 ( 7864 PWs) bands (ev): -41.3147 -41.3147 -9.7572 -9.7572 -4.0481 -4.0480 -1.2282 -1.1606 -1.0358 -0.9566 -0.0179 0.0191 0.4261 0.4576 1.2826 1.2858 1.4434 1.6054 1.7789 1.9615 2.0738 2.1130 4.9098 4.9455 5.7474 5.8028 10.4262 10.4297 11.1963 11.2211 k = 0.2976 0.5155 0.3555 ( 7864 PWs) bands (ev): -41.3147 -41.3147 -9.7584 -9.7584 -4.0500 -4.0500 -1.2294 -1.1677 -1.0228 -0.9496 -0.0200 0.0162 0.4272 0.4581 1.2769 1.2812 1.4488 1.6062 1.7829 1.9652 2.0587 2.1006 4.8880 4.9192 5.8159 5.8667 10.3340 10.3373 11.2602 11.2852 k = 0.2917 0.5052 0.3555 ( 7876 PWs) bands (ev): -41.3148 -41.3148 -9.7598 -9.7598 -4.0524 -4.0524 -1.2304 -1.1737 -1.0097 -0.9418 -0.0223 0.0132 0.4281 0.4585 1.2703 1.2757 1.4549 1.6075 1.7865 1.9693 2.0403 2.0859 4.8709 4.8985 5.8875 5.9344 10.2424 10.2456 11.3270 11.3529 k = 0.2857 0.4949 0.3555 ( 7870 PWs) bands (ev): -41.3148 -41.3148 -9.7614 -9.7614 -4.0552 -4.0552 -1.2308 -1.1788 -0.9963 -0.9333 -0.0246 0.0100 0.4288 0.4587 1.2629 1.2693 1.4618 1.6093 1.7893 1.9737 2.0188 2.0693 4.8594 4.8841 5.9612 6.0048 10.1520 10.1551 11.3961 11.4236 k = 0.2798 0.4846 0.3555 ( 7866 PWs) bands (ev): -41.3148 -41.3148 -9.7633 -9.7633 -4.0585 -4.0585 -1.2306 -1.1827 -0.9830 -0.9242 -0.0271 0.0068 0.4293 0.4587 1.2548 1.2621 1.4690 1.6115 1.7905 1.9759 1.9966 2.0515 4.8542 4.8766 6.0365 6.0774 10.0632 10.0662 11.4671 11.4969 k = 0.2738 0.4743 0.3555 ( 7866 PWs) bands (ev): -41.3148 -41.3148 -9.7654 -9.7654 -4.0621 -4.0621 -1.2298 -1.1854 -0.9695 -0.9147 -0.0295 0.0035 0.4295 0.4584 1.2460 1.2540 1.4766 1.6138 1.7893 1.9594 1.9906 2.0337 4.8558 4.8763 6.1130 6.1515 9.9761 9.9790 11.5396 11.5725 k = 0.2679 0.4639 0.3555 ( 7878 PWs) bands (ev): -41.3148 -41.3148 -9.7677 -9.7677 -4.0662 -4.0662 -1.2281 -1.1869 -0.9561 -0.9048 -0.0318 0.0003 0.4294 0.4577 1.2366 1.2452 1.4841 1.6158 1.7850 1.9294 1.9958 2.0173 4.8643 4.8832 6.1903 6.2267 9.8909 9.8937 11.6130 11.6494 k = 0.2619 0.4536 0.3555 ( 7870 PWs) bands (ev): -41.3148 -41.3148 -9.7704 -9.7704 -4.0708 -4.0707 -1.2255 -1.1873 -0.9427 -0.8946 -0.0340 -0.0028 0.4289 0.4568 1.2266 1.2357 1.4912 1.6166 1.7769 1.8960 2.0028 2.0037 4.8797 4.8973 6.2682 6.3027 9.8077 9.8105 11.6857 11.7181 k = 0.2560 0.4433 0.3555 ( 7870 PWs) bands (ev): -41.3149 -41.3149 -9.7732 -9.7732 -4.0757 -4.0757 -1.2220 -1.1864 -0.9293 -0.8842 -0.0361 -0.0058 0.4281 0.4556 1.2161 1.2255 1.4971 1.6146 1.7656 1.8611 1.9943 2.0105 4.9019 4.9184 6.3463 6.3793 9.7267 9.7294 11.6652 11.6677 k = 0.2500 0.4330 0.3555 ( 7866 PWs) bands (ev): -41.3149 -41.3149 -9.7763 -9.7763 -4.0811 -4.0811 -1.2175 -1.1842 -0.9161 -0.8737 -0.0381 -0.0086 0.4270 0.4540 1.2050 1.2146 1.5010 1.6075 1.7533 1.8259 1.9895 2.0188 4.9307 4.9463 6.4246 6.4560 9.6477 9.6503 11.6009 11.6034 k = 0.2440 0.4227 0.3555 ( 7888 PWs) bands (ev): -41.3149 -41.3149 -9.7796 -9.7796 -4.0869 -4.0869 -1.2120 -1.1809 -0.9029 -0.8631 -0.0398 -0.0113 0.4254 0.4521 1.1934 1.2030 1.5014 1.5923 1.7437 1.7926 1.9890 2.0276 4.9659 4.9806 6.5027 6.5328 9.5710 9.5735 11.5356 11.5379 k = 0.2381 0.4124 0.3555 ( 7894 PWs) bands (ev): -41.3150 -41.3150 -9.7831 -9.7831 -4.0932 -4.0932 -1.2055 -1.1763 -0.8899 -0.8524 -0.0414 -0.0137 0.4235 0.4498 1.1812 1.1909 1.4960 1.5672 1.7394 1.7635 1.9920 2.0369 5.0070 5.0211 6.5805 6.6093 9.4965 9.4989 11.4698 11.4719 k = 0.2321 0.4021 0.3555 ( 7898 PWs) bands (ev): -41.3150 -41.3150 -9.7869 -9.7869 -4.0998 -4.0998 -1.1979 -1.1705 -0.8771 -0.8417 -0.0427 -0.0159 0.4213 0.4473 1.1685 1.1781 1.4826 1.5331 1.7409 1.7414 1.9977 2.0466 5.0538 5.0673 6.6579 6.6854 9.4241 9.4265 11.4038 11.4057 k = 0.2262 0.3918 0.3555 ( 7894 PWs) bands (ev): -41.3150 -41.3150 -9.7909 -9.7909 -4.1068 -4.1068 -1.1893 -1.1635 -0.8644 -0.8310 -0.0438 -0.0179 0.4188 0.4444 1.1552 1.1646 1.4595 1.4922 1.7283 1.7469 2.0056 2.0567 5.1059 5.1188 6.7346 6.7609 9.3540 9.3563 11.3379 11.3398 k = 0.2202 0.3815 0.3555 ( 7898 PWs) bands (ev): -41.3151 -41.3151 -9.7950 -9.7950 -4.1142 -4.1142 -1.1796 -1.1553 -0.8519 -0.8205 -0.0447 -0.0196 0.4159 0.4413 1.1413 1.1504 1.4274 1.4467 1.7241 1.7563 2.0150 2.0672 5.1630 5.1753 6.8104 6.8356 9.2862 9.2883 11.2725 11.2741 k = 0.2143 0.3712 0.3555 ( 7898 PWs) bands (ev): -41.3151 -41.3151 -9.7994 -9.7994 -4.1220 -4.1220 -1.1689 -1.1460 -0.8397 -0.8100 -0.0453 -0.0211 0.4127 0.4379 1.1265 1.1354 1.3882 1.3982 1.7272 1.7679 2.0256 2.0780 5.2245 5.2364 6.8853 6.9093 9.2205 9.2225 11.2076 11.2091 k = 0.2083 0.3608 0.3555 ( 7910 PWs) bands (ev): -41.3152 -41.3152 -9.8039 -9.8039 -4.1301 -4.1301 -1.1572 -1.1356 -0.8276 -0.7996 -0.0457 -0.0224 0.4093 0.4343 1.1108 1.1194 1.3443 1.3480 1.7357 1.7815 2.0371 2.0892 5.2903 5.3017 6.9589 6.9819 9.1571 9.1590 11.1435 11.1449 k = 0.2024 0.3505 0.3555 ( 7902 PWs) bands (ev): -41.3152 -41.3152 -9.8086 -9.8086 -4.1385 -4.1385 -1.1446 -1.1242 -0.8158 -0.7894 -0.0459 -0.0235 0.4057 0.4305 1.0938 1.1020 1.2974 1.2980 1.7481 1.7964 2.0494 2.1006 5.3599 5.3709 7.0313 7.0531 9.0959 9.0977 11.0802 11.0815 k = 0.1964 0.3402 0.3555 ( 7902 PWs) bands (ev): -41.3152 -41.3152 -9.8134 -9.8134 -4.1472 -4.1472 -1.1311 -1.1118 -0.8043 -0.7794 -0.0459 -0.0243 0.4018 0.4265 1.0750 1.0827 1.2475 1.2509 1.7634 1.8127 2.0623 2.1123 5.4329 5.4435 7.1021 7.1229 9.0369 9.0385 11.0180 11.0192 k = 0.1905 0.3299 0.3555 ( 7906 PWs) bands (ev): -41.3153 -41.3153 -9.8184 -9.8184 -4.1561 -4.1561 -1.1166 -1.0984 -0.7930 -0.7696 -0.0456 -0.0249 0.3978 0.4223 1.0536 1.0603 1.1999 1.2050 1.7807 1.8300 2.0756 2.1243 5.5091 5.5193 7.1713 7.1910 8.9801 8.9816 10.9569 10.9580 k = 0.1845 0.3196 0.3555 ( 7906 PWs) bands (ev): -41.3153 -41.3153 -9.8234 -9.8234 -4.1653 -4.1653 -1.1014 -1.0842 -0.7820 -0.7599 -0.0452 -0.0253 0.3936 0.4180 1.0283 1.0334 1.1566 1.1621 1.7996 1.8482 2.0893 2.1364 5.5881 5.5979 7.2387 7.2573 8.9255 8.9268 10.8970 10.8980 k = 0.1786 0.3093 0.3555 ( 7910 PWs) bands (ev): -41.3154 -41.3154 -9.8286 -9.8286 -4.1747 -4.1747 -1.0854 -1.0692 -0.7713 -0.7505 -0.0446 -0.0256 0.3892 0.4136 0.9977 1.0002 1.1194 1.1242 1.8199 1.8673 2.1032 2.1487 5.6697 5.6791 7.3042 7.3217 8.8729 8.8741 10.8383 10.8392 k = 0.1726 0.2990 0.3555 ( 7898 PWs) bands (ev): -41.3154 -41.3154 -9.8338 -9.8338 -4.1842 -4.1842 -1.0687 -1.0534 -0.7609 -0.7413 -0.0438 -0.0257 0.3848 0.4091 0.9608 0.9613 1.0889 1.0922 1.8412 1.8872 2.1174 2.1611 5.7534 5.7624 7.3676 7.3840 8.8225 8.8235 10.7809 10.7817 k = 0.1667 0.2887 0.3555 ( 7902 PWs) bands (ev): -41.3155 -41.3155 -9.8391 -9.8391 -4.1939 -4.1939 -1.0514 -1.0370 -0.7508 -0.7324 -0.0429 -0.0256 0.3802 0.4046 0.9167 0.9201 1.0637 1.0654 1.8635 1.9077 2.1318 2.1737 5.8391 5.8477 7.4289 7.4442 8.7743 8.7750 10.7249 10.7256 k = 0.1607 0.2784 0.3555 ( 7910 PWs) bands (ev): -41.3155 -41.3155 -9.8444 -9.8444 -4.2037 -4.2037 -1.0336 -1.0199 -0.7409 -0.7237 -0.0418 -0.0254 0.3755 0.3999 0.8701 0.8759 1.0417 1.0424 1.8865 1.9289 2.1463 2.1862 5.9265 5.9346 7.4879 7.5021 8.7280 8.7286 10.6702 10.6708 k = 0.1548 0.2681 0.3555 ( 7910 PWs) bands (ev): -41.3155 -41.3155 -9.8498 -9.8498 -4.2136 -4.2136 -1.0153 -1.0024 -0.7314 -0.7152 -0.0406 -0.0251 0.3707 0.3952 0.8226 0.8304 1.0218 1.0218 1.9101 1.9505 2.1608 2.1988 6.0151 6.0229 7.5446 7.5577 8.6839 8.6843 10.6168 10.6174 k = 0.1488 0.2577 0.3555 ( 7910 PWs) bands (ev): -41.3156 -41.3156 -9.8551 -9.8551 -4.2235 -4.2235 -0.9966 -0.9845 -0.7221 -0.7070 -0.0394 -0.0247 0.3658 0.3905 0.7752 0.7847 1.0025 1.0030 1.9342 1.9726 2.1753 2.2115 6.1049 6.1122 7.5989 7.6109 8.6418 8.6419 10.5649 10.5654 k = 0.1429 0.2474 0.3555 ( 7906 PWs) bands (ev): -41.3156 -41.3156 -9.8605 -9.8605 -4.2334 -4.2334 -0.9777 -0.9663 -0.7131 -0.6990 -0.0380 -0.0242 0.3608 0.3856 0.7286 0.7395 0.9842 0.9849 1.9587 1.9951 2.1897 2.2240 6.1954 6.2023 7.6507 7.6616 8.6016 8.6017 10.5144 10.5149 k = 0.1369 0.2371 0.3555 ( 7910 PWs) bands (ev): -41.3157 -41.3157 -9.8658 -9.8658 -4.2432 -4.2432 -0.9586 -0.9479 -0.7044 -0.6912 -0.0366 -0.0237 0.3555 0.3806 0.6832 0.6955 0.9665 0.9673 1.9834 2.0177 2.2041 2.2365 6.2864 6.2929 7.7000 7.7098 8.5632 8.5636 10.4654 10.4657 k = 0.1310 0.2268 0.3555 ( 7906 PWs) bands (ev): -41.3157 -41.3157 -9.8710 -9.8710 -4.2530 -4.2530 -0.9394 -0.9294 -0.6959 -0.6837 -0.0351 -0.0231 0.3499 0.3753 0.6394 0.6531 0.9492 0.9500 2.0084 2.0406 2.2184 2.2488 6.3775 6.3836 7.7467 7.7554 8.5268 8.5274 10.4177 10.4181 k = 0.1250 0.2165 0.3555 ( 7908 PWs) bands (ev): -41.3158 -41.3158 -9.8762 -9.8762 -4.2626 -4.2626 -0.9202 -0.9110 -0.6877 -0.6764 -0.0337 -0.0225 0.3439 0.3697 0.5976 0.6127 0.9322 0.9331 2.0334 2.0635 2.2325 2.2610 6.4686 6.4742 7.7909 7.7985 8.4924 8.4932 10.3716 10.3719 k = 0.1190 0.2062 0.3555 ( 7916 PWs) bands (ev): -41.3158 -41.3158 -9.8812 -9.8812 -4.2722 -4.2722 -0.9012 -0.8926 -0.6797 -0.6693 -0.0322 -0.0219 0.3373 0.3635 0.5582 0.5746 0.9154 0.9163 2.0583 2.0863 2.2464 2.2731 6.5592 6.5644 7.8325 7.8391 8.4598 8.4610 10.3269 10.3272 k = 0.1131 0.1959 0.3555 ( 7916 PWs) bands (ev): -41.3159 -41.3159 -9.8862 -9.8862 -4.2815 -4.2815 -0.8824 -0.8746 -0.6718 -0.6623 -0.0307 -0.0213 0.3298 0.3564 0.5217 0.5393 0.8990 0.8998 2.0830 2.1090 2.2601 2.2848 6.6491 6.6538 7.8716 7.8771 8.4292 8.4307 10.2837 10.2840 k = 0.1071 0.1856 0.3555 ( 7912 PWs) bands (ev): -41.3159 -41.3159 -9.8910 -9.8910 -4.2906 -4.2906 -0.8641 -0.8569 -0.6642 -0.6555 -0.0292 -0.0206 0.3212 0.3478 0.4887 0.5071 0.8828 0.8836 2.1075 2.1314 2.2736 2.2964 6.7378 6.7421 7.9082 7.9126 8.4005 8.4023 10.2421 10.2423 k = 0.1012 0.1753 0.3555 ( 7908 PWs) bands (ev): -41.3160 -41.3160 -9.8957 -9.8957 -4.2994 -4.2994 -0.8462 -0.8397 -0.6567 -0.6489 -0.0277 -0.0200 0.3109 0.3370 0.4600 0.4786 0.8669 0.8676 2.1315 2.1534 2.2867 2.3077 6.8251 6.8289 7.9423 7.9456 8.3737 8.3759 10.2021 10.2022 k = 0.0952 0.1650 0.3555 ( 7928 PWs) bands (ev): -41.3160 -41.3160 -9.9002 -9.9002 -4.3079 -4.3079 -0.8290 -0.8232 -0.6493 -0.6423 -0.0263 -0.0194 0.2988 0.3232 0.4364 0.4542 0.8514 0.8520 2.1549 2.1748 2.2996 2.3186 6.9105 6.9138 7.9739 7.9761 8.3489 8.3514 10.1636 10.1638 k = 0.0893 0.1546 0.3555 ( 7920 PWs) bands (ev): -41.3160 -41.3160 -9.9045 -9.9045 -4.3161 -4.3161 -0.8126 -0.8075 -0.6420 -0.6359 -0.0249 -0.0188 0.2845 0.3062 0.4184 0.4341 0.8362 0.8368 2.1777 2.1955 2.3122 2.3293 6.9936 6.9966 8.0031 8.0043 8.3259 8.3288 10.1269 10.1270 k = 0.0833 0.1443 0.3555 ( 7926 PWs) bands (ev): -41.3161 -41.3161 -9.9086 -9.9086 -4.3240 -4.3240 -0.7971 -0.7926 -0.6348 -0.6295 -0.0235 -0.0182 0.2685 0.2866 0.4052 0.4182 0.8215 0.8220 2.1996 2.2153 2.3244 2.3395 7.0741 7.0766 8.0299 8.0301 8.3049 8.3082 10.0919 10.0920 k = 0.0774 0.1340 0.3555 ( 7922 PWs) bands (ev): -41.3161 -41.3161 -9.9125 -9.9125 -4.3314 -4.3314 -0.7825 -0.7787 -0.6277 -0.6232 -0.0222 -0.0177 0.2511 0.2656 0.3957 0.4058 0.8073 0.8077 2.2205 2.2342 2.3362 2.3495 7.1515 7.1536 8.0535 8.0544 8.2859 8.2896 10.0588 10.0588 k = 0.0714 0.1237 0.3555 ( 7922 PWs) bands (ev): -41.3161 -41.3161 -9.9162 -9.9162 -4.3385 -4.3385 -0.7691 -0.7659 -0.6207 -0.6169 -0.0210 -0.0172 0.2332 0.2444 0.3888 0.3963 0.7937 0.7940 2.2402 2.2520 2.3477 2.3591 7.2253 7.2270 8.0747 8.0765 8.2690 8.2730 10.0275 10.0276 k = 0.0655 0.1134 0.3555 ( 7916 PWs) bands (ev): -41.3162 -41.3162 -9.9196 -9.9196 -4.3450 -4.3450 -0.7568 -0.7542 -0.6138 -0.6107 -0.0198 -0.0167 0.2154 0.2239 0.3837 0.3891 0.7807 0.7810 2.2587 2.2685 2.3587 2.3682 7.2951 7.2964 8.0937 8.0963 8.2541 8.2586 9.9982 9.9983 k = 0.0595 0.1031 0.3555 ( 7920 PWs) bands (ev): -41.3162 -41.3162 -9.9228 -9.9228 -4.3511 -4.3511 -0.7457 -0.7437 -0.6070 -0.6046 -0.0187 -0.0162 0.1982 0.2045 0.3797 0.3835 0.7685 0.7687 2.2757 2.2836 2.3693 2.3771 7.3604 7.3614 8.1103 8.1137 8.2415 8.2463 9.9711 9.9711 k = 0.0536 0.0928 0.3555 ( 7928 PWs) bands (ev): -41.3162 -41.3162 -9.9257 -9.9257 -4.3567 -4.3567 -0.7359 -0.7344 -0.6005 -0.5987 -0.0177 -0.0157 0.1821 0.1866 0.3766 0.3793 0.7570 0.7572 2.2912 2.2973 2.3794 2.3855 7.4207 7.4215 8.1247 8.1286 8.2314 8.2363 9.9461 9.9461 k = 0.0476 0.0825 0.3555 ( 7936 PWs) bands (ev): -41.3163 -41.3163 -9.9283 -9.9283 -4.3618 -4.3618 -0.7273 -0.7262 -0.5943 -0.5930 -0.0168 -0.0153 0.1673 0.1705 0.3742 0.3759 0.7465 0.7466 2.3050 2.3096 2.3889 2.3934 7.4757 7.4762 8.1366 8.1407 8.2238 8.2286 9.9234 9.9234 k = 0.0417 0.0722 0.3555 ( 7940 PWs) bands (ev): -41.3163 -41.3163 -9.9306 -9.9306 -4.3663 -4.3663 -0.7200 -0.7192 -0.5886 -0.5877 -0.0159 -0.0149 0.1540 0.1562 0.3722 0.3733 0.7370 0.7370 2.3171 2.3203 2.3977 2.4009 7.5248 7.5251 8.1461 8.1500 8.2191 8.2235 9.9031 9.9031 k = 0.0357 0.0619 0.3555 ( 7932 PWs) bands (ev): -41.3163 -41.3163 -9.9327 -9.9327 -4.3703 -4.3703 -0.7138 -0.7133 -0.5833 -0.5827 -0.0152 -0.0145 0.1424 0.1438 0.3706 0.3713 0.7285 0.7285 2.3274 2.3295 2.4057 2.4077 7.5678 7.5680 8.1531 8.1563 8.2172 8.2208 9.8852 9.8852 k = 0.0298 0.0515 0.3555 ( 7924 PWs) bands (ev): -41.3163 -41.3163 -9.9344 -9.9344 -4.3736 -4.3736 -0.7087 -0.7084 -0.5787 -0.5783 -0.0146 -0.0142 0.1325 0.1333 0.3694 0.3697 0.7211 0.7212 2.3360 2.3372 2.4126 2.4139 7.6044 7.6045 8.1578 8.1601 8.2177 8.2202 9.8700 9.8700 k = 0.0238 0.0412 0.3555 ( 7924 PWs) bands (ev): -41.3163 -41.3163 -9.9359 -9.9359 -4.3764 -4.3764 -0.7046 -0.7045 -0.5748 -0.5746 -0.0141 -0.0139 0.1244 0.1248 0.3684 0.3686 0.7150 0.7151 2.3428 2.3435 2.4185 2.4192 7.6344 7.6344 8.1608 8.1621 8.2196 8.2210 9.8574 9.8574 k = 0.0179 0.0309 0.3555 ( 7920 PWs) bands (ev): -41.3163 -41.3163 -9.9370 -9.9370 -4.3786 -4.3786 -0.7016 -0.7015 -0.5717 -0.5716 -0.0137 -0.0136 0.1180 0.1182 0.3676 0.3677 0.7102 0.7102 2.3481 2.3483 2.4232 2.4235 7.6577 7.6577 8.1625 8.1631 8.2220 8.2226 9.8475 9.8475 k = 0.0119 0.0206 0.3555 ( 7920 PWs) bands (ev): -41.3163 -41.3163 -9.9378 -9.9378 -4.3802 -4.3802 -0.6994 -0.6994 -0.5694 -0.5694 -0.0135 -0.0135 0.1135 0.1135 0.3671 0.3671 0.7067 0.7067 2.3517 2.3518 2.4266 2.4267 7.6743 7.6743 8.1635 8.1636 8.2241 8.2243 9.8404 9.8404 k = 0.0060 0.0103 0.3555 ( 7936 PWs) bands (ev): -41.3164 -41.3164 -9.9383 -9.9383 -4.3811 -4.3811 -0.6981 -0.6981 -0.5680 -0.5680 -0.0133 -0.0133 0.1107 0.1107 0.3668 0.3668 0.7046 0.7046 2.3539 2.3539 2.4287 2.4287 7.6843 7.6843 8.1639 8.1639 8.2254 8.2255 9.8361 9.8361 k = 0.0000 0.0000 0.3555 ( 7916 PWs) bands (ev): -41.3164 -41.3164 -9.9384 -9.9384 -4.3814 -4.3814 -0.6977 -0.6977 -0.5676 -0.5676 -0.0133 -0.0133 0.1098 0.1098 0.3667 0.3667 0.7039 0.7039 2.3546 2.3546 2.4294 2.4294 7.6876 7.6876 8.1640 8.1640 8.2259 8.2259 9.8347 9.8347 k = 0.5000 0.2887 0.3555 ( 7880 PWs) bands (ev): -41.3149 -41.3149 -9.7764 -9.7764 -4.0803 -4.0803 -1.3115 -1.3115 -0.7761 -0.7761 -0.1231 -0.1231 0.5538 0.5538 1.2175 1.2175 1.5093 1.5093 1.9483 1.9483 2.0972 2.0972 4.1294 4.1294 7.4925 7.4925 9.8574 9.8574 10.3031 10.3031 k = 0.5000 0.2887 0.3436 ( 7884 PWs) bands (ev): -41.3149 -41.3149 -9.7767 -9.7767 -4.0778 -4.0778 -1.3105 -1.3103 -0.7753 -0.7752 -0.1232 -0.1229 0.5537 0.5538 1.2015 1.2088 1.5016 1.5125 1.9513 1.9541 2.0961 2.0962 4.1352 4.1358 7.4963 7.4964 9.8608 9.8610 10.2950 10.2951 k = 0.5000 0.2887 0.3318 ( 7874 PWs) bands (ev): -41.3149 -41.3149 -9.7777 -9.7777 -4.0703 -4.0703 -1.3072 -1.3070 -0.7726 -0.7724 -0.1233 -0.1226 0.5534 0.5537 1.1640 1.1764 1.4899 1.5086 1.9620 1.9667 2.0939 2.0941 4.1530 4.1542 7.5078 7.5079 9.8711 9.8717 10.2708 10.2710 k = 0.5000 0.2887 0.3199 ( 7874 PWs) bands (ev): -41.3149 -41.3149 -9.7794 -9.7794 -4.0579 -4.0579 -1.3019 -1.3015 -0.7682 -0.7679 -0.1232 -0.1223 0.5529 0.5534 1.1094 1.1244 1.4722 1.4950 1.9753 1.9805 2.0940 2.0946 4.1825 4.1842 7.5268 7.5270 9.8883 9.8891 10.2316 10.2319 k = 0.5000 0.2887 0.3081 ( 7878 PWs) bands (ev): -41.3149 -41.3149 -9.7817 -9.7817 -4.0406 -4.0405 -1.2943 -1.2939 -0.7621 -0.7616 -0.1231 -0.1219 0.5522 0.5529 1.0422 1.0579 1.4470 1.4710 1.9821 1.9867 2.1032 2.1043 4.2229 4.2251 7.5532 7.5534 9.9121 9.9131 10.1785 10.1790 k = 0.5000 0.2887 0.2962 ( 7874 PWs) bands (ev): -41.3149 -41.3149 -9.7846 -9.7846 -4.0184 -4.0183 -1.2846 -1.2840 -0.7542 -0.7536 -0.1230 -0.1214 0.5512 0.5522 0.9655 0.9807 1.4137 1.4373 1.9756 1.9792 2.1258 2.1273 4.2736 4.2762 7.5867 7.5870 9.9416 9.9429 10.1135 10.1142 k = 0.5000 0.2887 0.2844 ( 7874 PWs) bands (ev): -41.3149 -41.3149 -9.7881 -9.7881 -3.9913 -3.9913 -1.2727 -1.2720 -0.7446 -0.7439 -0.1227 -0.1209 0.5494 0.5510 0.8816 0.8956 1.3727 1.3950 1.9569 1.9599 2.1586 2.1598 4.3336 4.3365 7.6269 7.6273 9.9731 9.9741 10.0421 10.0425 k = 0.5000 0.2887 0.2725 ( 7878 PWs) bands (ev): -41.3149 -41.3149 -9.7921 -9.7921 -3.9596 -3.9595 -1.2587 -1.2579 -0.7334 -0.7326 -0.1225 -0.1202 0.5463 0.5488 0.7929 0.8050 1.3249 1.3455 1.9299 1.9326 2.1964 2.1971 4.4020 4.4052 7.6736 7.6740 9.9400 9.9415 10.0300 10.0320 k = 0.5000 0.2887 0.2607 ( 7876 PWs) bands (ev): -41.3149 -41.3149 -9.7965 -9.7965 -3.9232 -3.9231 -1.2426 -1.2417 -0.7207 -0.7197 -0.1221 -0.1196 0.5393 0.5439 0.7030 0.7118 1.2714 1.2902 1.8970 1.8995 2.2360 2.2361 4.4780 4.4814 7.7262 7.7266 9.8488 9.8506 10.0737 10.0760 k = 0.5000 0.2887 0.2488 ( 7872 PWs) bands (ev): -41.3149 -41.3149 -9.8014 -9.8014 -3.8823 -3.8822 -1.2244 -1.2233 -0.7065 -0.7053 -0.1217 -0.1188 0.5179 0.5281 0.6233 0.6255 1.2131 1.2302 1.8594 1.8619 2.2750 2.2756 4.5607 4.5642 7.7843 7.7848 9.7478 9.7498 10.1250 10.1275 k = 0.5000 0.2887 0.2370 ( 7866 PWs) bands (ev): -41.3149 -41.3149 -9.8067 -9.8067 -3.8370 -3.8368 -1.2042 -1.2029 -0.6909 -0.6896 -0.1214 -0.1181 0.4549 0.4694 0.5786 0.5819 1.1510 1.1665 1.8181 1.8206 2.3131 2.3142 4.6494 4.6528 7.8474 7.8479 9.6403 9.6425 10.1807 10.1835 k = 0.5000 0.2887 0.2251 ( 7862 PWs) bands (ev): -41.3149 -41.3149 -9.8122 -9.8122 -3.7874 -3.7872 -1.1819 -1.1805 -0.6741 -0.6727 -0.1213 -0.1176 0.3605 0.3734 0.5663 0.5691 1.0859 1.0999 1.7737 1.7763 2.3497 2.3512 4.7434 4.7468 7.9149 7.9154 9.5278 9.5301 10.2396 10.2427 k = 0.5000 0.2887 0.2133 ( 7858 PWs) bands (ev): -41.3149 -41.3149 -9.8180 -9.8180 -3.7336 -3.7334 -1.1576 -1.1560 -0.6563 -0.6547 -0.1215 -0.1175 0.2568 0.2679 0.5619 0.5639 1.0185 1.0313 1.7269 1.7294 2.3845 2.3863 4.8420 4.8453 7.9862 7.9868 9.4109 9.4135 10.3008 10.3041 k = 0.5000 0.2887 0.2014 ( 7860 PWs) bands (ev): -41.3149 -41.3149 -9.8240 -9.8240 -3.6758 -3.6756 -1.1314 -1.1296 -0.6377 -0.6359 -0.1231 -0.1187 0.1507 0.1601 0.5593 0.5606 0.9496 0.9612 1.6780 1.6806 2.4173 2.4193 4.9448 4.9479 8.0609 8.0615 9.2906 9.2933 10.3630 10.3665 k = 0.5000 0.2887 0.1896 ( 7864 PWs) bands (ev): -41.3149 -41.3149 -9.8301 -9.8301 -3.6143 -3.6140 -1.1034 -1.1012 -0.6186 -0.6167 -0.1285 -0.1243 0.0472 0.0548 0.5571 0.5578 0.8799 0.8906 1.6275 1.6302 2.4480 2.4500 5.0513 5.0542 8.1382 8.1387 9.1673 9.1701 10.4249 10.4285 k = 0.5000 0.2887 0.1777 ( 7862 PWs) bands (ev): -41.3149 -41.3149 -9.8362 -9.8362 -3.5491 -3.5488 -1.0735 -1.0711 -0.5997 -0.5976 -0.1504 -0.1486 -0.0378 -0.0345 0.5545 0.5547 0.8101 0.8201 1.5760 1.5788 2.4765 2.4786 5.1611 5.1638 8.2174 8.2180 9.0416 9.0445 10.4848 10.4885 k = 0.5000 0.2887 0.1659 ( 7870 PWs) bands (ev): -41.3149 -41.3149 -9.8422 -9.8422 -3.4806 -3.4802 -1.0420 -1.0392 -0.5821 -0.5798 -0.2206 -0.2181 -0.0765 -0.0738 0.5497 0.5511 0.7413 0.7513 1.5239 1.5268 2.5029 2.5050 5.2739 5.2763 8.2979 8.2984 8.9138 8.9168 10.5408 10.5445 k = 0.5000 0.2887 0.1540 ( 7868 PWs) bands (ev): -41.3149 -41.3149 -9.8482 -9.8482 -3.4089 -3.4085 -1.0092 -1.0057 -0.5689 -0.5664 -0.3164 -0.3134 -0.0861 -0.0810 0.5409 0.5442 0.6761 0.6867 1.4717 1.4746 2.5271 2.5292 5.3893 5.3914 8.3788 8.3794 8.7845 8.7875 10.5912 10.5947 k = 0.5000 0.2887 0.1422 ( 7868 PWs) bands (ev): -41.3149 -41.3149 -9.8540 -9.8540 -3.3344 -3.3339 -0.9752 -0.9710 -0.5707 -0.5682 -0.4034 -0.4012 -0.0871 -0.0808 0.5215 0.5271 0.6217 0.6334 1.4198 1.4227 2.5492 2.5512 5.5070 5.5089 8.4593 8.4597 8.6542 8.6572 10.6344 10.6376 k = 0.5000 0.2887 0.1303 ( 7888 PWs) bands (ev): -41.3149 -41.3149 -9.8596 -9.8596 -3.2573 -3.2569 -0.9412 -0.9357 -0.6152 -0.6138 -0.4484 -0.4465 -0.0852 -0.0780 0.4818 0.4877 0.5905 0.6012 1.3687 1.3717 2.5693 2.5712 5.6269 5.6285 8.5140 8.5172 8.5472 8.5478 10.6699 10.6727 k = 0.5000 0.2887 0.1185 ( 7876 PWs) bands (ev): -41.3149 -41.3149 -9.8649 -9.8649 -3.1782 -3.1777 -0.9100 -0.9017 -0.7002 -0.6983 -0.4509 -0.4488 -0.0817 -0.0737 0.4256 0.4304 0.5785 0.5869 1.3189 1.3219 2.5873 2.5891 5.7487 5.7499 8.3876 8.3908 8.6186 8.6193 10.6983 10.7006 k = 0.5000 0.2887 0.1066 ( 7868 PWs) bands (ev): -41.3149 -41.3149 -9.8698 -9.8698 -3.0976 -3.0970 -0.8976 -0.8828 -0.7841 -0.7754 -0.4394 -0.4371 -0.0773 -0.0683 0.3631 0.3677 0.5735 0.5804 1.2710 1.2740 2.6035 2.6051 5.8722 5.8731 8.2545 8.2576 8.6934 8.6939 10.7204 10.7224 k = 0.5000 0.2887 0.0948 ( 7874 PWs) bands (ev): -41.3149 -41.3149 -9.8744 -9.8744 -3.0160 -3.0154 -0.9520 -0.9400 -0.7936 -0.7873 -0.4244 -0.4221 -0.0723 -0.0623 0.2996 0.3048 0.5712 0.5770 1.2255 1.2285 2.6178 2.6192 5.9973 5.9978 8.1207 8.1237 8.7645 8.7650 10.7377 10.7394 k = 0.5000 0.2887 0.0829 ( 7874 PWs) bands (ev): -41.3149 -41.3149 -9.8786 -9.8786 -2.9344 -2.9338 -1.0453 -1.0376 -0.7610 -0.7585 -0.4091 -0.4068 -0.0671 -0.0558 0.2374 0.2436 0.5700 0.5751 1.1831 1.1860 2.6302 2.6315 6.1236 6.1239 7.9865 7.9894 8.8309 8.8314 10.7512 10.7526 k = 0.5000 0.2887 0.0711 ( 7874 PWs) bands (ev): -41.3149 -41.3149 -9.8822 -9.8822 -2.8540 -2.8533 -1.1430 -1.1372 -0.7226 -0.7219 -0.3948 -0.3926 -0.0622 -0.0493 0.1778 0.1857 0.5694 0.5739 1.1443 1.1470 2.6409 2.6421 6.2512 6.2512 7.8522 7.8550 8.8914 8.8918 10.7618 10.7629 k = 0.5000 0.2887 0.0592 ( 7878 PWs) bands (ev): -41.3149 -41.3149 -9.8854 -9.8854 -2.7764 -2.7757 -1.2370 -1.2326 -0.6840 -0.6838 -0.3821 -0.3801 -0.0585 -0.0437 0.1225 0.1327 0.5692 0.5731 1.1099 1.1124 2.6499 2.6509 6.3794 6.3798 7.7180 7.7207 8.9449 8.9453 10.7700 10.7708 k = 0.5000 0.2887 0.0474 ( 7884 PWs) bands (ev): -41.3149 -41.3149 -9.8881 -9.8881 -2.7039 -2.7032 -1.3237 -1.3202 -0.6472 -0.6465 -0.3713 -0.3697 -0.0574 -0.0403 0.0741 0.0870 0.5692 0.5725 1.0806 1.0827 2.6572 2.6580 6.5084 6.5090 7.5842 7.5866 8.9905 8.9908 10.7763 10.7769 k = 0.5000 0.2887 0.0355 ( 7886 PWs) bands (ev): -41.3149 -41.3149 -9.8901 -9.8901 -2.6398 -2.6392 -1.3990 -1.3964 -0.6138 -0.6128 -0.3628 -0.3615 -0.0608 -0.0425 0.0371 0.0518 0.5695 0.5721 1.0569 1.0587 2.6629 2.6635 6.6376 6.6385 7.4511 7.4534 9.0271 9.0273 10.7810 10.7814 k = 0.5000 0.2887 0.0237 ( 7890 PWs) bands (ev): -41.3149 -41.3149 -9.8916 -9.8916 -2.5883 -2.5878 -1.4585 -1.4567 -0.5862 -0.5853 -0.3566 -0.3556 -0.0687 -0.0540 0.0172 0.0293 0.5699 0.5716 1.0396 1.0409 2.6670 2.6674 6.7661 6.7673 7.3199 7.3220 9.0539 9.0540 10.7842 10.7845 k = 0.5000 0.2887 0.0118 ( 7894 PWs) bands (ev): -41.3149 -41.3149 -9.8925 -9.8925 -2.5544 -2.5541 -1.4970 -1.4961 -0.5676 -0.5671 -0.3527 -0.3522 -0.0767 -0.0691 0.0116 0.0177 0.5703 0.5712 1.0292 1.0298 2.6694 2.6696 6.8896 6.8908 7.1950 7.1967 9.0703 9.0703 10.7861 10.7863 k = 0.5000 0.2887-0.0000 ( 7884 PWs) bands (ev): -41.3149 -41.3149 -9.8928 -9.8928 -2.5424 -2.5424 -1.5102 -1.5102 -0.5608 -0.5608 -0.3513 -0.3513 -0.0779 -0.0779 0.0125 0.0125 0.5708 0.5708 1.0259 1.0259 2.6703 2.6703 6.9685 6.9685 7.1170 7.1170 9.0758 9.0758 10.7868 10.7868 k = 0.3333 0.5774-0.0000 ( 7860 PWs) bands (ev): -41.3147 -41.3147 -9.8701 -9.8701 -2.5329 -2.5328 -1.4320 -1.4320 -0.5121 -0.4827 -0.4343 -0.4108 -0.0654 -0.0148 0.0331 0.2318 0.3062 0.5752 0.6650 0.7723 2.8955 2.8960 7.3844 7.4289 8.0805 8.0915 8.1283 8.2078 8.3105 8.4433 k = 0.3333 0.5774 0.0118 ( 7860 PWs) bands (ev): -41.3147 -41.3147 -9.8698 -9.8698 -2.5440 -2.5439 -1.4191 -1.4191 -0.5150 -0.4889 -0.4374 -0.4158 -0.0637 -0.0079 0.0332 0.2341 0.3110 0.5759 0.6694 0.7745 2.8946 2.8950 7.3615 7.4083 8.0352 8.0888 8.1040 8.2250 8.3666 8.4865 k = 0.3333 0.5774 0.0237 ( 7860 PWs) bands (ev): -41.3147 -41.3147 -9.8689 -9.8689 -2.5759 -2.5758 -1.3819 -1.3819 -0.5234 -0.5064 -0.4474 -0.4293 -0.0593 0.0119 0.0334 0.2406 0.3253 0.5781 0.6824 0.7811 2.8917 2.8922 7.3004 7.3522 7.9291 7.9973 8.1671 8.2806 8.4723 8.5794 k = 0.3333 0.5774 0.0355 ( 7866 PWs) bands (ev): -41.3147 -41.3147 -9.8674 -9.8674 -2.6248 -2.6247 -1.3243 -1.3242 -0.5368 -0.5326 -0.4658 -0.4474 -0.0533 0.0338 0.0418 0.2508 0.3488 0.5820 0.7037 0.7922 2.8870 2.8874 7.2150 7.2720 7.8121 7.8880 8.2560 8.3631 8.5885 8.6881 k = 0.3333 0.5774 0.0474 ( 7848 PWs) bands (ev): -41.3147 -41.3147 -9.8654 -9.8654 -2.6862 -2.6861 -1.2508 -1.2506 -0.5645 -0.5544 -0.4929 -0.4670 -0.0471 0.0340 0.0785 0.2638 0.3807 0.5877 0.7323 0.8079 2.8803 2.8807 7.1159 7.1773 7.6920 7.7725 8.3599 8.4618 8.7075 8.8021 k = 0.3333 0.5774 0.0592 ( 7842 PWs) bands (ev): -41.3147 -41.3147 -9.8627 -9.8627 -2.7561 -2.7561 -1.1657 -1.1654 -0.5996 -0.5750 -0.5258 -0.4887 -0.0414 0.0340 0.1195 0.2785 0.4199 0.5958 0.7676 0.8283 2.8716 2.8721 7.0093 7.0741 7.5709 7.6545 8.4726 8.5702 8.8273 8.9180 k = 0.3333 0.5774 0.0711 ( 7848 PWs) bands (ev): -41.3147 -41.3147 -9.8596 -9.8596 -2.8315 -2.8315 -1.0726 -1.0724 -0.6356 -0.5974 -0.5618 -0.5126 -0.0365 0.0338 0.1624 0.2940 0.4653 0.6066 0.8086 0.8536 2.8610 2.8615 6.8988 6.9662 7.4499 7.5356 8.5907 8.6848 8.9469 9.0344 k = 0.3333 0.5774 0.0829 ( 7860 PWs) bands (ev): -41.3147 -41.3147 -9.8559 -9.8559 -2.9100 -2.9100 -0.9754 -0.9752 -0.6698 -0.6195 -0.5994 -0.5386 -0.0324 0.0334 0.2053 0.3094 0.5158 0.6210 0.8546 0.8838 2.8483 2.8488 6.7862 6.8556 7.3294 7.4167 8.7121 8.8033 9.0660 9.1506 k = 0.3333 0.5774 0.0948 ( 7875 PWs) bands (ev): -41.3147 -41.3147 -9.8518 -9.8518 -2.9900 -2.9900 -0.8829 -0.8789 -0.6947 -0.6377 -0.6368 -0.5660 -0.0290 0.0329 0.2464 0.3242 0.5702 0.6399 0.9046 0.9185 2.8336 2.8340 6.6730 6.7439 7.2098 7.2984 8.8358 8.9243 9.1841 9.2662 k = 0.3333 0.5774 0.1066 ( 7863 PWs) bands (ev): -41.3147 -41.3147 -9.8473 -9.8473 -3.0701 -3.0701 -0.8258 -0.8002 -0.6802 -0.6760 -0.6338 -0.5945 -0.0262 0.0323 0.2842 0.3378 0.6278 0.6639 0.9577 0.9582 2.8167 2.8172 6.5599 6.6318 7.0914 7.1809 8.9608 9.0469 9.3013 9.3808 k = 0.3333 0.5774 0.1185 ( 7854 PWs) bands (ev): -41.3147 -41.3147 -9.8424 -9.8424 -3.1496 -3.1496 -0.8309 -0.7713 -0.7138 -0.6235 -0.5999 -0.5784 -0.0239 0.0317 0.3175 0.3502 0.6878 0.6939 1.0008 1.0145 2.7977 2.7981 6.4475 6.5202 6.9746 7.0647 9.0865 9.1704 9.4172 9.4944 k = 0.3333 0.5774 0.1303 ( 7857 PWs) bands (ev): -41.3147 -41.3147 -9.8371 -9.8371 -3.2277 -3.2277 -0.8586 -0.7812 -0.7508 -0.6526 -0.4941 -0.4824 -0.0220 0.0311 0.3456 0.3612 0.7299 0.7494 1.0474 1.0732 2.7764 2.7768 6.3363 6.4095 6.8596 6.9502 9.2126 9.2945 9.5318 9.6068 k = 0.3333 0.5774 0.1422 ( 7851 PWs) bands (ev): -41.3147 -41.3147 -9.8316 -9.8316 -3.3038 -3.3038 -0.8909 -0.8027 -0.7868 -0.6815 -0.3812 -0.3730 -0.0204 0.0305 0.3687 0.3709 0.7716 0.8123 1.0970 1.1336 2.7529 2.7533 6.2267 6.3001 6.7468 6.8376 9.3386 9.4186 9.6449 9.7177 k = 0.3333 0.5774 0.1540 ( 7863 PWs) bands (ev): -41.3147 -41.3147 -9.8258 -9.8258 -3.3775 -3.3775 -0.9237 -0.8276 -0.8214 -0.7098 -0.2657 -0.2589 -0.0191 0.0300 0.3794 0.3872 0.8180 0.8758 1.1490 1.1954 2.7270 2.7273 6.1191 6.1925 6.6365 6.7273 9.4643 9.5424 9.7565 9.8272 k = 0.3333 0.5774 0.1659 ( 7854 PWs) bands (ev): -41.3147 -41.3147 -9.8199 -9.8199 -3.4485 -3.4485 -0.9558 -0.8546 -0.8532 -0.7375 -0.1490 -0.1430 -0.0180 0.0295 0.3868 0.4019 0.8681 0.9396 1.2027 1.2579 2.6988 2.6990 6.0138 6.0871 6.5289 6.6197 9.5892 9.6656 9.8664 9.9351 k = 0.3333 0.5774 0.1777 ( 7854 PWs) bands (ev): -41.3147 -41.3147 -9.8139 -9.8139 -3.5165 -3.5164 -0.9866 -0.8862 -0.8786 -0.7641 -0.0322 -0.0265 -0.0170 0.0291 0.3933 0.4137 0.9206 1.0031 1.2577 1.3209 2.6682 2.6683 5.9112 5.9842 6.4245 6.5151 9.7132 9.7879 9.9744 10.0413 k = 0.3333 0.5774 0.1896 ( 7854 PWs) bands (ev): -41.3147 -41.3147 -9.8079 -9.8079 -3.5811 -3.5811 -1.0160 -0.9161 -0.9032 -0.7896 -0.0162 0.0287 0.0840 0.0896 0.3991 0.4232 0.9744 1.0659 1.3133 1.3838 2.6351 2.6351 5.8116 5.8842 6.3236 6.4139 9.8358 9.9089 10.0805 10.1457 k = 0.3333 0.5774 0.2014 ( 7845 PWs) bands (ev): -41.3147 -41.3147 -9.8019 -9.8019 -3.6421 -3.6421 -1.0438 -0.9442 -0.9267 -0.8139 -0.0155 0.0283 0.1989 0.2045 0.4048 0.4314 1.0287 1.1276 1.3688 1.4461 2.5994 2.5997 5.7155 5.7875 6.2266 6.3164 9.9566 10.0282 10.1845 10.2482 k = 0.3333 0.5774 0.2133 ( 7842 PWs) bands (ev): -41.3147 -41.3147 -9.7960 -9.7960 -3.6994 -3.6994 -1.0697 -0.9704 -0.9490 -0.8367 -0.0148 0.0280 0.3107 0.3155 0.4123 0.4399 1.0825 1.1877 1.4237 1.5074 2.5614 2.5619 5.6232 5.6946 6.1339 6.2233 10.0753 10.1455 10.2863 10.3485 k = 0.3333 0.5774 0.2251 ( 7842 PWs) bands (ev): -41.3147 -41.3147 -9.7902 -9.7902 -3.7528 -3.7528 -1.0938 -0.9947 -0.9698 -0.8580 -0.0143 0.0278 0.3943 0.4067 0.4498 0.4613 1.1350 1.2457 1.4773 1.5672 2.5210 2.5219 5.5353 5.6058 6.0460 6.1348 10.1913 10.2601 10.3855 10.4466 k = 0.3333 0.5774 0.2370 ( 7842 PWs) bands (ev): -41.3147 -41.3147 -9.7847 -9.7847 -3.8021 -3.8021 -1.1159 -1.0171 -0.9892 -0.8776 -0.0139 0.0275 0.4075 0.4356 0.5466 0.5501 1.1856 1.3012 1.5289 1.6249 2.4784 2.4798 5.4521 5.5218 5.9634 6.0515 10.3040 10.3717 10.4819 10.5420 k = 0.3333 0.5774 0.2488 ( 7836 PWs) bands (ev): -41.3147 -41.3147 -9.7795 -9.7795 -3.8471 -3.8471 -1.1360 -1.0374 -1.0069 -0.8956 -0.0135 0.0274 0.4118 0.4422 0.6506 0.6561 1.2334 1.3537 1.5776 1.6799 2.4338 2.4361 5.3743 5.4431 5.8864 5.9739 10.4128 10.4793 10.5751 10.6345 k = 0.3333 0.5774 0.2607 ( 7836 PWs) bands (ev): -41.3147 -41.3147 -9.7747 -9.7747 -3.8877 -3.8877 -1.1541 -1.0557 -1.0228 -0.9119 -0.0132 0.0272 0.4146 0.4459 0.7534 0.7598 1.2778 1.4026 1.6228 1.7317 2.3877 2.3911 5.3023 5.3702 5.8157 5.9024 10.5167 10.5823 10.6646 10.7235 k = 0.3333 0.5774 0.2725 ( 7830 PWs) bands (ev): -41.3147 -41.3147 -9.7702 -9.7702 -3.9239 -3.9239 -1.1702 -1.0719 -1.0371 -0.9264 -0.0129 0.0271 0.4167 0.4486 0.8525 0.8596 1.3180 1.4474 1.6633 1.7795 2.3405 2.3455 5.2368 5.3037 5.7517 5.8378 10.6147 10.6795 10.7496 10.8083 k = 0.3333 0.5774 0.2844 ( 7833 PWs) bands (ev): -41.3147 -41.3147 -9.7663 -9.7663 -3.9554 -3.9554 -1.1842 -1.0860 -1.0495 -0.9390 -0.0127 0.0270 0.4184 0.4506 0.9467 0.9544 1.3533 1.4875 1.6983 1.8228 2.2930 2.3005 5.1784 5.2443 5.6950 5.7804 10.7055 10.7696 10.8292 10.8881 k = 0.3333 0.5774 0.2962 ( 7845 PWs) bands (ev): -41.3147 -41.3147 -9.7628 -9.7628 -3.9822 -3.9822 -1.1960 -1.0979 -1.0600 -0.9497 -0.0125 0.0269 0.4197 0.4522 1.0348 1.0428 1.3828 1.5225 1.7266 1.8608 2.2466 2.2574 5.1277 5.1927 5.6459 5.7307 10.7874 10.8511 10.8676 10.8677 k = 0.3333 0.5774 0.3081 ( 7866 PWs) bands (ev): -41.3147 -41.3147 -9.7600 -9.7600 -4.0043 -4.0043 -1.2057 -1.1077 -1.0687 -0.9585 -0.0123 0.0268 0.4207 0.4534 1.1151 1.1230 1.4056 1.5519 1.7473 1.8930 2.2027 2.2181 5.0852 5.1494 5.6051 5.6894 10.8341 10.8342 10.8590 10.9221 k = 0.3333 0.5774 0.3199 ( 7866 PWs) bands (ev): -41.3147 -41.3147 -9.7577 -9.7577 -4.0215 -4.0215 -1.2133 -1.1154 -1.0755 -0.9654 -0.0122 0.0267 0.4215 0.4543 1.1853 1.1924 1.4212 1.5753 1.7600 1.9187 2.1636 2.1848 5.0515 5.1151 5.5729 5.6567 10.8079 10.8080 10.9175 10.9806 k = 0.3333 0.5774 0.3318 ( 7860 PWs) bands (ev): -41.3147 -41.3147 -9.7560 -9.7560 -4.0339 -4.0339 -1.2187 -1.1208 -1.0803 -0.9703 -0.0121 0.0267 0.4220 0.4549 1.2424 1.2473 1.4293 1.5922 1.7656 1.9375 2.1323 2.1597 5.0270 5.0902 5.5496 5.6331 10.7890 10.7890 10.9615 11.0244 k = 0.3333 0.5774 0.3436 ( 7860 PWs) bands (ev): -41.3147 -41.3147 -9.7551 -9.7551 -4.0413 -4.0413 -1.2219 -1.1241 -1.0833 -0.9733 -0.0121 0.0267 0.4224 0.4552 1.2815 1.2832 1.4312 1.6025 1.7665 1.9489 2.1117 2.1443 5.0122 5.0750 5.5355 5.6188 10.7776 10.7776 10.9887 11.0517 k = 0.3333 0.5774 0.3555 ( 7854 PWs) bands (ev): -41.3147 -41.3147 -9.7547 -9.7547 -4.0438 -4.0438 -1.2230 -1.1252 -1.0842 -0.9743 -0.0121 0.0267 0.4225 0.4554 1.2959 1.2959 1.4309 1.6060 1.7662 1.9528 2.1045 2.1391 5.0073 5.0700 5.5308 5.6140 10.7737 10.7738 10.9979 11.0609 Writing output data file LiAgC2.save init_run : 2.73s CPU 13.99s WALL ( 1 calls) electrons : 312.00s CPU 316.76s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.43s CPU 1.67s WALL ( 1 calls) Called by electrons: c_bands : 311.98s CPU 316.23s WALL ( 1 calls) v_of_rho : 0.14s CPU 1.06s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.12s CPU 0.56s WALL ( 1 calls) newd : 0.16s CPU 0.44s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.12s WALL ( 363 calls) cegterg : 274.76s CPU 276.24s WALL ( 542 calls) Called by sum_band: Called by *egterg: h_psi : 194.46s CPU 198.89s WALL ( 8596 calls) s_psi : 8.66s CPU 9.18s WALL ( 8596 calls) g_psi : 0.61s CPU 0.66s WALL ( 7691 calls) cdiaghg : 45.46s CPU 43.93s WALL ( 8054 calls) cegterg:over : 22.79s CPU 20.79s WALL ( 7691 calls) cegterg:upda : 5.34s CPU 7.88s WALL ( 7691 calls) cegterg:last : 5.01s CPU 5.68s WALL ( 1631 calls) Called by h_psi: h_psi:vloc : 173.34s CPU 176.94s WALL ( 8596 calls) h_psi:vnl : 20.86s CPU 21.34s WALL ( 8596 calls) add_vuspsi : 5.15s CPU 7.79s WALL ( 8596 calls) General routines calbec : 15.67s CPU 13.50s WALL ( 8596 calls) fft : 0.27s CPU 1.35s WALL ( 15 calls) fftw : 165.81s CPU 168.12s WALL ( 612536 calls) davcio : 0.04s CPU 2.02s WALL ( 726 calls) Parallel routines fft_scatter : 103.21s CPU 103.19s WALL ( 612551 calls) PWSCF : 6m 3.45s CPU 7m25.75s WALL This run was terminated on: 21:32:57 8Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=