Program PWSCF v.5.1.1 starts on 7Oct2015 at 18:52:41 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: ./SrLiP.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 40 40 11 1312 1312 197 Max 41 41 13 1315 1315 200 Sum 1945 1945 559 63049 63049 9523 bravais-lattice index = 14 lattice parameter (alat) = 8.2751 a.u. unit-cell volume = 447.2587 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 3 number of electrons = 18.00 number of Kohn-Sham states= 26 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)= 8.275110 celldm(2)= 1.000000 celldm(3)= 0.911395 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 0.911395 ) 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 1.097219 ) 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 Sr read from file: /home/autes/Pseudo/Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 971034ad0a3914f6282d12395b0824f8 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1221 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for P read from file: /home/autes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1147 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) Sr 10.00 87.62000 Sr( 1.00) P 5.00 30.97380 P( 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= 357 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028011 k( 2) = ( 0.0119048 0.0068732 -0.0000000), wk = 0.0028011 k( 3) = ( 0.0238095 0.0137464 -0.0000000), wk = 0.0028011 k( 4) = ( 0.0357143 0.0206197 -0.0000000), wk = 0.0028011 k( 5) = ( 0.0476191 0.0274929 -0.0000000), wk = 0.0028011 k( 6) = ( 0.0595238 0.0343661 -0.0000000), wk = 0.0028011 k( 7) = ( 0.0714286 0.0412393 -0.0000000), wk = 0.0028011 k( 8) = ( 0.0833333 0.0481125 -0.0000000), wk = 0.0028011 k( 9) = ( 0.0952381 0.0549857 -0.0000000), wk = 0.0028011 k( 10) = ( 0.1071429 0.0618590 -0.0000000), wk = 0.0028011 k( 11) = ( 0.1190476 0.0687322 -0.0000000), wk = 0.0028011 k( 12) = ( 0.1309524 0.0756054 -0.0000000), wk = 0.0028011 k( 13) = ( 0.1428571 0.0824786 -0.0000000), wk = 0.0028011 k( 14) = ( 0.1547619 0.0893518 -0.0000000), wk = 0.0028011 k( 15) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0028011 k( 16) = ( 0.1785714 0.1030983 -0.0000000), wk = 0.0028011 k( 17) = ( 0.1904762 0.1099715 -0.0000000), wk = 0.0028011 k( 18) = ( 0.2023810 0.1168447 -0.0000000), wk = 0.0028011 k( 19) = ( 0.2142857 0.1237179 -0.0000000), wk = 0.0028011 k( 20) = ( 0.2261905 0.1305911 -0.0000000), wk = 0.0028011 k( 21) = ( 0.2380952 0.1374644 -0.0000000), wk = 0.0028011 k( 22) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0028011 k( 23) = ( 0.2619048 0.1512108 -0.0000000), wk = 0.0028011 k( 24) = ( 0.2738095 0.1580840 -0.0000000), wk = 0.0028011 k( 25) = ( 0.2857143 0.1649572 -0.0000000), wk = 0.0028011 k( 26) = ( 0.2976190 0.1718304 -0.0000000), wk = 0.0028011 k( 27) = ( 0.3095238 0.1787037 -0.0000000), wk = 0.0028011 k( 28) = ( 0.3214286 0.1855769 -0.0000000), wk = 0.0028011 k( 29) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0028011 k( 30) = ( 0.3452381 0.1993233 -0.0000000), wk = 0.0028011 k( 31) = ( 0.3571429 0.2061965 -0.0000000), wk = 0.0028011 k( 32) = ( 0.3690476 0.2130697 -0.0000000), wk = 0.0028011 k( 33) = ( 0.3809524 0.2199430 -0.0000000), wk = 0.0028011 k( 34) = ( 0.3928571 0.2268162 -0.0000000), wk = 0.0028011 k( 35) = ( 0.4047619 0.2336894 -0.0000000), wk = 0.0028011 k( 36) = ( 0.4166667 0.2405626 -0.0000000), wk = 0.0028011 k( 37) = ( 0.4285714 0.2474358 -0.0000000), wk = 0.0028011 k( 38) = ( 0.4404762 0.2543090 -0.0000000), wk = 0.0028011 k( 39) = ( 0.4523810 0.2611823 -0.0000000), wk = 0.0028011 k( 40) = ( 0.4642857 0.2680555 -0.0000000), wk = 0.0028011 k( 41) = ( 0.4761905 0.2749287 -0.0000000), wk = 0.0028011 k( 42) = ( 0.4880952 0.2818019 -0.0000000), wk = 0.0028011 k( 43) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0028011 k( 44) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0028011 k( 45) = ( 0.4930556 0.3007033 -0.0000000), wk = 0.0028011 k( 46) = ( 0.4861111 0.3127314 -0.0000000), wk = 0.0028011 k( 47) = ( 0.4791667 0.3247595 -0.0000000), wk = 0.0028011 k( 48) = ( 0.4722222 0.3367877 -0.0000000), wk = 0.0028011 k( 49) = ( 0.4652778 0.3488158 -0.0000000), wk = 0.0028011 k( 50) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0028011 k( 51) = ( 0.4513889 0.3728720 -0.0000000), wk = 0.0028011 k( 52) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0028011 k( 53) = ( 0.4375000 0.3969283 -0.0000000), wk = 0.0028011 k( 54) = ( 0.4305556 0.4089564 -0.0000000), wk = 0.0028011 k( 55) = ( 0.4236111 0.4209846 -0.0000000), wk = 0.0028011 k( 56) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0028011 k( 57) = ( 0.4097222 0.4450408 -0.0000000), wk = 0.0028011 k( 58) = ( 0.4027778 0.4570690 -0.0000000), wk = 0.0028011 k( 59) = ( 0.3958333 0.4690971 -0.0000000), wk = 0.0028011 k( 60) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0028011 k( 61) = ( 0.3819444 0.4931534 -0.0000000), wk = 0.0028011 k( 62) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0028011 k( 63) = ( 0.3680556 0.5172096 -0.0000000), wk = 0.0028011 k( 64) = ( 0.3611111 0.5292377 -0.0000000), wk = 0.0028011 k( 65) = ( 0.3541667 0.5412659 -0.0000000), wk = 0.0028011 k( 66) = ( 0.3472222 0.5532940 -0.0000000), wk = 0.0028011 k( 67) = ( 0.3402778 0.5653221 -0.0000000), wk = 0.0028011 k( 68) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0028011 k( 69) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0028011 k( 70) = ( 0.3263889 0.5653221 -0.0000000), wk = 0.0028011 k( 71) = ( 0.3194444 0.5532940 -0.0000000), wk = 0.0028011 k( 72) = ( 0.3125000 0.5412659 -0.0000000), wk = 0.0028011 k( 73) = ( 0.3055556 0.5292378 -0.0000000), wk = 0.0028011 k( 74) = ( 0.2986111 0.5172096 -0.0000000), wk = 0.0028011 k( 75) = ( 0.2916667 0.5051815 -0.0000000), wk = 0.0028011 k( 76) = ( 0.2847222 0.4931534 -0.0000000), wk = 0.0028011 k( 77) = ( 0.2777778 0.4811252 -0.0000000), wk = 0.0028011 k( 78) = ( 0.2708333 0.4690971 -0.0000000), wk = 0.0028011 k( 79) = ( 0.2638889 0.4570690 -0.0000000), wk = 0.0028011 k( 80) = ( 0.2569444 0.4450408 -0.0000000), wk = 0.0028011 k( 81) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0028011 k( 82) = ( 0.2430556 0.4209846 -0.0000000), wk = 0.0028011 k( 83) = ( 0.2361111 0.4089564 -0.0000000), wk = 0.0028011 k( 84) = ( 0.2291667 0.3969283 -0.0000000), wk = 0.0028011 k( 85) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0028011 k( 86) = ( 0.2152778 0.3728721 -0.0000000), wk = 0.0028011 k( 87) = ( 0.2083333 0.3608439 -0.0000000), wk = 0.0028011 k( 88) = ( 0.2013889 0.3488158 -0.0000000), wk = 0.0028011 k( 89) = ( 0.1944444 0.3367876 -0.0000000), wk = 0.0028011 k( 90) = ( 0.1875000 0.3247595 -0.0000000), wk = 0.0028011 k( 91) = ( 0.1805556 0.3127314 -0.0000000), wk = 0.0028011 k( 92) = ( 0.1736111 0.3007033 -0.0000000), wk = 0.0028011 k( 93) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0028011 k( 94) = ( 0.1597222 0.2766470 -0.0000000), wk = 0.0028011 k( 95) = ( 0.1527778 0.2646189 -0.0000000), wk = 0.0028011 k( 96) = ( 0.1458333 0.2525907 -0.0000000), wk = 0.0028011 k( 97) = ( 0.1388889 0.2405626 -0.0000000), wk = 0.0028011 k( 98) = ( 0.1319444 0.2285345 -0.0000000), wk = 0.0028011 k( 99) = ( 0.1250000 0.2165064 -0.0000000), wk = 0.0028011 k( 100) = ( 0.1180556 0.2044782 -0.0000000), wk = 0.0028011 k( 101) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0028011 k( 102) = ( 0.1041667 0.1804220 -0.0000000), wk = 0.0028011 k( 103) = ( 0.0972222 0.1683938 -0.0000000), wk = 0.0028011 k( 104) = ( 0.0902778 0.1563657 -0.0000000), wk = 0.0028011 k( 105) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0028011 k( 106) = ( 0.0763889 0.1323094 -0.0000000), wk = 0.0028011 k( 107) = ( 0.0694444 0.1202813 -0.0000000), wk = 0.0028011 k( 108) = ( 0.0625000 0.1082532 -0.0000000), wk = 0.0028011 k( 109) = ( 0.0555556 0.0962251 -0.0000000), wk = 0.0028011 k( 110) = ( 0.0486111 0.0841969 -0.0000000), wk = 0.0028011 k( 111) = ( 0.0416667 0.0721688 -0.0000000), wk = 0.0028011 k( 112) = ( 0.0347222 0.0601406 -0.0000000), wk = 0.0028011 k( 113) = ( 0.0277778 0.0481125 -0.0000000), wk = 0.0028011 k( 114) = ( 0.0208333 0.0360844 -0.0000000), wk = 0.0028011 k( 115) = ( 0.0138889 0.0240563 -0.0000000), wk = 0.0028011 k( 116) = ( 0.0069444 0.0120281 -0.0000000), wk = 0.0028011 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028011 k( 118) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028011 k( 119) = ( 0.0000000 0.0000000 0.0137152), wk = 0.0028011 k( 120) = ( 0.0000000 0.0000000 0.0274305), wk = 0.0028011 k( 121) = ( 0.0000000 0.0000000 0.0411457), wk = 0.0028011 k( 122) = ( 0.0000000 0.0000000 0.0548609), wk = 0.0028011 k( 123) = ( 0.0000000 0.0000000 0.0685762), wk = 0.0028011 k( 124) = ( 0.0000000 0.0000000 0.0822914), wk = 0.0028011 k( 125) = ( 0.0000000 0.0000000 0.0960066), wk = 0.0028011 k( 126) = ( 0.0000000 0.0000000 0.1097219), wk = 0.0028011 k( 127) = ( 0.0000000 0.0000000 0.1234371), wk = 0.0028011 k( 128) = ( 0.0000000 0.0000000 0.1371523), wk = 0.0028011 k( 129) = ( 0.0000000 0.0000000 0.1508676), wk = 0.0028011 k( 130) = ( 0.0000000 0.0000000 0.1645828), wk = 0.0028011 k( 131) = ( 0.0000000 0.0000000 0.1782980), wk = 0.0028011 k( 132) = ( 0.0000000 0.0000000 0.1920133), wk = 0.0028011 k( 133) = ( 0.0000000 0.0000000 0.2057285), wk = 0.0028011 k( 134) = ( 0.0000000 0.0000000 0.2194437), wk = 0.0028011 k( 135) = ( 0.0000000 0.0000000 0.2331590), wk = 0.0028011 k( 136) = ( 0.0000000 0.0000000 0.2468742), wk = 0.0028011 k( 137) = ( 0.0000000 0.0000000 0.2605895), wk = 0.0028011 k( 138) = ( 0.0000000 0.0000000 0.2743047), wk = 0.0028011 k( 139) = ( 0.0000000 0.0000000 0.2880199), wk = 0.0028011 k( 140) = ( 0.0000000 0.0000000 0.3017352), wk = 0.0028011 k( 141) = ( 0.0000000 0.0000000 0.3154504), wk = 0.0028011 k( 142) = ( 0.0000000 0.0000000 0.3291656), wk = 0.0028011 k( 143) = ( 0.0000000 0.0000000 0.3428809), wk = 0.0028011 k( 144) = ( 0.0000000 0.0000000 0.3565961), wk = 0.0028011 k( 145) = ( 0.0000000 0.0000000 0.3703113), wk = 0.0028011 k( 146) = ( 0.0000000 0.0000000 0.3840266), wk = 0.0028011 k( 147) = ( 0.0000000 0.0000000 0.3977418), wk = 0.0028011 k( 148) = ( 0.0000000 0.0000000 0.4114570), wk = 0.0028011 k( 149) = ( 0.0000000 0.0000000 0.4251723), wk = 0.0028011 k( 150) = ( 0.0000000 0.0000000 0.4388875), wk = 0.0028011 k( 151) = ( 0.0000000 0.0000000 0.4526027), wk = 0.0028011 k( 152) = ( 0.0000000 0.0000000 0.4663180), wk = 0.0028011 k( 153) = ( 0.0000000 0.0000000 0.4800332), wk = 0.0028011 k( 154) = ( 0.0000000 0.0000000 0.4937484), wk = 0.0028011 k( 155) = ( 0.0000000 0.0000000 0.5074637), wk = 0.0028011 k( 156) = ( 0.0000000 0.0000000 0.5211789), wk = 0.0028011 k( 157) = ( 0.0000000 0.0000000 0.5348941), wk = 0.0028011 k( 158) = ( 0.0000000 0.0000000 0.5486094), wk = 0.0028011 k( 159) = ( 0.0000000 0.0000000 0.5486094), wk = 0.0028011 k( 160) = ( 0.0119048 0.0068732 0.5486094), wk = 0.0028011 k( 161) = ( 0.0238095 0.0137464 0.5486094), wk = 0.0028011 k( 162) = ( 0.0357143 0.0206197 0.5486094), wk = 0.0028011 k( 163) = ( 0.0476191 0.0274929 0.5486094), wk = 0.0028011 k( 164) = ( 0.0595238 0.0343661 0.5486094), wk = 0.0028011 k( 165) = ( 0.0714286 0.0412393 0.5486094), wk = 0.0028011 k( 166) = ( 0.0833333 0.0481125 0.5486094), wk = 0.0028011 k( 167) = ( 0.0952381 0.0549857 0.5486094), wk = 0.0028011 k( 168) = ( 0.1071429 0.0618590 0.5486094), wk = 0.0028011 k( 169) = ( 0.1190476 0.0687322 0.5486094), wk = 0.0028011 k( 170) = ( 0.1309524 0.0756054 0.5486094), wk = 0.0028011 k( 171) = ( 0.1428571 0.0824786 0.5486094), wk = 0.0028011 k( 172) = ( 0.1547619 0.0893518 0.5486094), wk = 0.0028011 k( 173) = ( 0.1666667 0.0962250 0.5486094), wk = 0.0028011 k( 174) = ( 0.1785714 0.1030983 0.5486094), wk = 0.0028011 k( 175) = ( 0.1904762 0.1099715 0.5486094), wk = 0.0028011 k( 176) = ( 0.2023810 0.1168447 0.5486094), wk = 0.0028011 k( 177) = ( 0.2142857 0.1237179 0.5486094), wk = 0.0028011 k( 178) = ( 0.2261905 0.1305911 0.5486094), wk = 0.0028011 k( 179) = ( 0.2380952 0.1374644 0.5486094), wk = 0.0028011 k( 180) = ( 0.2500000 0.1443376 0.5486094), wk = 0.0028011 k( 181) = ( 0.2619048 0.1512108 0.5486094), wk = 0.0028011 k( 182) = ( 0.2738095 0.1580840 0.5486094), wk = 0.0028011 k( 183) = ( 0.2857143 0.1649572 0.5486094), wk = 0.0028011 k( 184) = ( 0.2976190 0.1718304 0.5486094), wk = 0.0028011 k( 185) = ( 0.3095238 0.1787037 0.5486094), wk = 0.0028011 k( 186) = ( 0.3214286 0.1855769 0.5486094), wk = 0.0028011 k( 187) = ( 0.3333333 0.1924501 0.5486094), wk = 0.0028011 k( 188) = ( 0.3452381 0.1993233 0.5486094), wk = 0.0028011 k( 189) = ( 0.3571429 0.2061965 0.5486094), wk = 0.0028011 k( 190) = ( 0.3690476 0.2130697 0.5486094), wk = 0.0028011 k( 191) = ( 0.3809524 0.2199430 0.5486094), wk = 0.0028011 k( 192) = ( 0.3928571 0.2268162 0.5486094), wk = 0.0028011 k( 193) = ( 0.4047619 0.2336894 0.5486094), wk = 0.0028011 k( 194) = ( 0.4166667 0.2405626 0.5486094), wk = 0.0028011 k( 195) = ( 0.4285714 0.2474358 0.5486094), wk = 0.0028011 k( 196) = ( 0.4404762 0.2543090 0.5486094), wk = 0.0028011 k( 197) = ( 0.4523810 0.2611823 0.5486094), wk = 0.0028011 k( 198) = ( 0.4642857 0.2680555 0.5486094), wk = 0.0028011 k( 199) = ( 0.4761905 0.2749287 0.5486094), wk = 0.0028011 k( 200) = ( 0.4880952 0.2818019 0.5486094), wk = 0.0028011 k( 201) = ( 0.5000000 0.2886751 0.5486094), wk = 0.0028011 k( 202) = ( 0.5000000 0.2886751 0.5486094), wk = 0.0028011 k( 203) = ( 0.4930556 0.3007033 0.5486094), wk = 0.0028011 k( 204) = ( 0.4861111 0.3127314 0.5486094), wk = 0.0028011 k( 205) = ( 0.4791667 0.3247595 0.5486094), wk = 0.0028011 k( 206) = ( 0.4722222 0.3367877 0.5486094), wk = 0.0028011 k( 207) = ( 0.4652778 0.3488158 0.5486094), wk = 0.0028011 k( 208) = ( 0.4583333 0.3608439 0.5486094), wk = 0.0028011 k( 209) = ( 0.4513889 0.3728720 0.5486094), wk = 0.0028011 k( 210) = ( 0.4444444 0.3849002 0.5486094), wk = 0.0028011 k( 211) = ( 0.4375000 0.3969283 0.5486094), wk = 0.0028011 k( 212) = ( 0.4305556 0.4089564 0.5486094), wk = 0.0028011 k( 213) = ( 0.4236111 0.4209846 0.5486094), wk = 0.0028011 k( 214) = ( 0.4166667 0.4330127 0.5486094), wk = 0.0028011 k( 215) = ( 0.4097222 0.4450408 0.5486094), wk = 0.0028011 k( 216) = ( 0.4027778 0.4570690 0.5486094), wk = 0.0028011 k( 217) = ( 0.3958333 0.4690971 0.5486094), wk = 0.0028011 k( 218) = ( 0.3888889 0.4811252 0.5486094), wk = 0.0028011 k( 219) = ( 0.3819444 0.4931534 0.5486094), wk = 0.0028011 k( 220) = ( 0.3750000 0.5051815 0.5486094), wk = 0.0028011 k( 221) = ( 0.3680556 0.5172096 0.5486094), wk = 0.0028011 k( 222) = ( 0.3611111 0.5292377 0.5486094), wk = 0.0028011 k( 223) = ( 0.3541667 0.5412659 0.5486094), wk = 0.0028011 k( 224) = ( 0.3472222 0.5532940 0.5486094), wk = 0.0028011 k( 225) = ( 0.3402778 0.5653221 0.5486094), wk = 0.0028011 k( 226) = ( 0.3333333 0.5773503 0.5486094), wk = 0.0028011 k( 227) = ( 0.3333333 0.5773503 0.5486094), wk = 0.0028011 k( 228) = ( 0.3263889 0.5653221 0.5486094), wk = 0.0028011 k( 229) = ( 0.3194444 0.5532940 0.5486094), wk = 0.0028011 k( 230) = ( 0.3125000 0.5412659 0.5486094), wk = 0.0028011 k( 231) = ( 0.3055556 0.5292378 0.5486094), wk = 0.0028011 k( 232) = ( 0.2986111 0.5172096 0.5486094), wk = 0.0028011 k( 233) = ( 0.2916667 0.5051815 0.5486094), wk = 0.0028011 k( 234) = ( 0.2847222 0.4931534 0.5486094), wk = 0.0028011 k( 235) = ( 0.2777778 0.4811252 0.5486094), wk = 0.0028011 k( 236) = ( 0.2708333 0.4690971 0.5486094), wk = 0.0028011 k( 237) = ( 0.2638889 0.4570690 0.5486094), wk = 0.0028011 k( 238) = ( 0.2569444 0.4450408 0.5486094), wk = 0.0028011 k( 239) = ( 0.2500000 0.4330127 0.5486094), wk = 0.0028011 k( 240) = ( 0.2430556 0.4209846 0.5486094), wk = 0.0028011 k( 241) = ( 0.2361111 0.4089564 0.5486094), wk = 0.0028011 k( 242) = ( 0.2291667 0.3969283 0.5486094), wk = 0.0028011 k( 243) = ( 0.2222222 0.3849002 0.5486094), wk = 0.0028011 k( 244) = ( 0.2152778 0.3728721 0.5486094), wk = 0.0028011 k( 245) = ( 0.2083333 0.3608439 0.5486094), wk = 0.0028011 k( 246) = ( 0.2013889 0.3488158 0.5486094), wk = 0.0028011 k( 247) = ( 0.1944444 0.3367876 0.5486094), wk = 0.0028011 k( 248) = ( 0.1875000 0.3247595 0.5486094), wk = 0.0028011 k( 249) = ( 0.1805556 0.3127314 0.5486094), wk = 0.0028011 k( 250) = ( 0.1736111 0.3007033 0.5486094), wk = 0.0028011 k( 251) = ( 0.1666667 0.2886751 0.5486094), wk = 0.0028011 k( 252) = ( 0.1597222 0.2766470 0.5486094), wk = 0.0028011 k( 253) = ( 0.1527778 0.2646189 0.5486094), wk = 0.0028011 k( 254) = ( 0.1458333 0.2525907 0.5486094), wk = 0.0028011 k( 255) = ( 0.1388889 0.2405626 0.5486094), wk = 0.0028011 k( 256) = ( 0.1319444 0.2285345 0.5486094), wk = 0.0028011 k( 257) = ( 0.1250000 0.2165064 0.5486094), wk = 0.0028011 k( 258) = ( 0.1180556 0.2044782 0.5486094), wk = 0.0028011 k( 259) = ( 0.1111111 0.1924501 0.5486094), wk = 0.0028011 k( 260) = ( 0.1041667 0.1804220 0.5486094), wk = 0.0028011 k( 261) = ( 0.0972222 0.1683938 0.5486094), wk = 0.0028011 k( 262) = ( 0.0902778 0.1563657 0.5486094), wk = 0.0028011 k( 263) = ( 0.0833333 0.1443376 0.5486094), wk = 0.0028011 k( 264) = ( 0.0763889 0.1323094 0.5486094), wk = 0.0028011 k( 265) = ( 0.0694444 0.1202813 0.5486094), wk = 0.0028011 k( 266) = ( 0.0625000 0.1082532 0.5486094), wk = 0.0028011 k( 267) = ( 0.0555556 0.0962251 0.5486094), wk = 0.0028011 k( 268) = ( 0.0486111 0.0841969 0.5486094), wk = 0.0028011 k( 269) = ( 0.0416667 0.0721688 0.5486094), wk = 0.0028011 k( 270) = ( 0.0347222 0.0601406 0.5486094), wk = 0.0028011 k( 271) = ( 0.0277778 0.0481125 0.5486094), wk = 0.0028011 k( 272) = ( 0.0208333 0.0360844 0.5486094), wk = 0.0028011 k( 273) = ( 0.0138889 0.0240563 0.5486094), wk = 0.0028011 k( 274) = ( 0.0069444 0.0120281 0.5486094), wk = 0.0028011 k( 275) = ( 0.0000000 0.0000000 0.5486094), wk = 0.0028011 k( 276) = ( 0.5000000 0.2886751 0.5486094), wk = 0.0028011 k( 277) = ( 0.5000000 0.2886751 0.5348941), wk = 0.0028011 k( 278) = ( 0.5000000 0.2886751 0.5211789), wk = 0.0028011 k( 279) = ( 0.5000000 0.2886751 0.5074637), wk = 0.0028011 k( 280) = ( 0.5000000 0.2886751 0.4937484), wk = 0.0028011 k( 281) = ( 0.5000000 0.2886751 0.4800332), wk = 0.0028011 k( 282) = ( 0.5000000 0.2886751 0.4663180), wk = 0.0028011 k( 283) = ( 0.5000000 0.2886751 0.4526027), wk = 0.0028011 k( 284) = ( 0.5000000 0.2886751 0.4388875), wk = 0.0028011 k( 285) = ( 0.5000000 0.2886751 0.4251723), wk = 0.0028011 k( 286) = ( 0.5000000 0.2886751 0.4114570), wk = 0.0028011 k( 287) = ( 0.5000000 0.2886751 0.3977418), wk = 0.0028011 k( 288) = ( 0.5000000 0.2886751 0.3840266), wk = 0.0028011 k( 289) = ( 0.5000000 0.2886751 0.3703113), wk = 0.0028011 k( 290) = ( 0.5000000 0.2886751 0.3565961), wk = 0.0028011 k( 291) = ( 0.5000000 0.2886751 0.3428809), wk = 0.0028011 k( 292) = ( 0.5000000 0.2886751 0.3291656), wk = 0.0028011 k( 293) = ( 0.5000000 0.2886751 0.3154504), wk = 0.0028011 k( 294) = ( 0.5000000 0.2886751 0.3017352), wk = 0.0028011 k( 295) = ( 0.5000000 0.2886751 0.2880199), wk = 0.0028011 k( 296) = ( 0.5000000 0.2886751 0.2743047), wk = 0.0028011 k( 297) = ( 0.5000000 0.2886751 0.2605895), wk = 0.0028011 k( 298) = ( 0.5000000 0.2886751 0.2468742), wk = 0.0028011 k( 299) = ( 0.5000000 0.2886751 0.2331590), wk = 0.0028011 k( 300) = ( 0.5000000 0.2886751 0.2194437), wk = 0.0028011 k( 301) = ( 0.5000000 0.2886751 0.2057285), wk = 0.0028011 k( 302) = ( 0.5000000 0.2886751 0.1920133), wk = 0.0028011 k( 303) = ( 0.5000000 0.2886751 0.1782980), wk = 0.0028011 k( 304) = ( 0.5000000 0.2886751 0.1645828), wk = 0.0028011 k( 305) = ( 0.5000000 0.2886751 0.1508676), wk = 0.0028011 k( 306) = ( 0.5000000 0.2886751 0.1371523), wk = 0.0028011 k( 307) = ( 0.5000000 0.2886751 0.1234371), wk = 0.0028011 k( 308) = ( 0.5000000 0.2886751 0.1097219), wk = 0.0028011 k( 309) = ( 0.5000000 0.2886751 0.0960066), wk = 0.0028011 k( 310) = ( 0.5000000 0.2886751 0.0822914), wk = 0.0028011 k( 311) = ( 0.5000000 0.2886751 0.0685762), wk = 0.0028011 k( 312) = ( 0.5000000 0.2886751 0.0548609), wk = 0.0028011 k( 313) = ( 0.5000000 0.2886751 0.0411457), wk = 0.0028011 k( 314) = ( 0.5000000 0.2886751 0.0274305), wk = 0.0028011 k( 315) = ( 0.5000000 0.2886751 0.0137152), wk = 0.0028011 k( 316) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0028011 k( 317) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0028011 k( 318) = ( 0.3333333 0.5773503 0.0137152), wk = 0.0028011 k( 319) = ( 0.3333333 0.5773503 0.0274305), wk = 0.0028011 k( 320) = ( 0.3333333 0.5773503 0.0411457), wk = 0.0028011 k( 321) = ( 0.3333333 0.5773503 0.0548609), wk = 0.0028011 k( 322) = ( 0.3333333 0.5773503 0.0685762), wk = 0.0028011 k( 323) = ( 0.3333333 0.5773503 0.0822914), wk = 0.0028011 k( 324) = ( 0.3333333 0.5773503 0.0960066), wk = 0.0028011 k( 325) = ( 0.3333333 0.5773503 0.1097219), wk = 0.0028011 k( 326) = ( 0.3333333 0.5773503 0.1234371), wk = 0.0028011 k( 327) = ( 0.3333333 0.5773503 0.1371523), wk = 0.0028011 k( 328) = ( 0.3333333 0.5773503 0.1508676), wk = 0.0028011 k( 329) = ( 0.3333333 0.5773503 0.1645828), wk = 0.0028011 k( 330) = ( 0.3333333 0.5773503 0.1782980), wk = 0.0028011 k( 331) = ( 0.3333333 0.5773503 0.1920133), wk = 0.0028011 k( 332) = ( 0.3333333 0.5773503 0.2057285), wk = 0.0028011 k( 333) = ( 0.3333333 0.5773503 0.2194437), wk = 0.0028011 k( 334) = ( 0.3333333 0.5773503 0.2331590), wk = 0.0028011 k( 335) = ( 0.3333333 0.5773503 0.2468742), wk = 0.0028011 k( 336) = ( 0.3333333 0.5773503 0.2605895), wk = 0.0028011 k( 337) = ( 0.3333333 0.5773503 0.2743047), wk = 0.0028011 k( 338) = ( 0.3333333 0.5773503 0.2880199), wk = 0.0028011 k( 339) = ( 0.3333333 0.5773503 0.3017352), wk = 0.0028011 k( 340) = ( 0.3333333 0.5773503 0.3154504), wk = 0.0028011 k( 341) = ( 0.3333333 0.5773503 0.3291656), wk = 0.0028011 k( 342) = ( 0.3333333 0.5773503 0.3428809), wk = 0.0028011 k( 343) = ( 0.3333333 0.5773503 0.3565961), wk = 0.0028011 k( 344) = ( 0.3333333 0.5773503 0.3703113), wk = 0.0028011 k( 345) = ( 0.3333333 0.5773503 0.3840266), wk = 0.0028011 k( 346) = ( 0.3333333 0.5773503 0.3977418), wk = 0.0028011 k( 347) = ( 0.3333333 0.5773503 0.4114570), wk = 0.0028011 k( 348) = ( 0.3333333 0.5773503 0.4251723), wk = 0.0028011 k( 349) = ( 0.3333333 0.5773503 0.4388875), wk = 0.0028011 k( 350) = ( 0.3333333 0.5773503 0.4526027), wk = 0.0028011 k( 351) = ( 0.3333333 0.5773503 0.4663180), wk = 0.0028011 k( 352) = ( 0.3333333 0.5773503 0.4800332), wk = 0.0028011 k( 353) = ( 0.3333333 0.5773503 0.4937484), wk = 0.0028011 k( 354) = ( 0.3333333 0.5773503 0.5074637), wk = 0.0028011 k( 355) = ( 0.3333333 0.5773503 0.5211789), wk = 0.0028011 k( 356) = ( 0.3333333 0.5773503 0.5348941), wk = 0.0028011 k( 357) = ( 0.3333333 0.5773503 0.5486094), wk = 0.0028011 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028011 k( 2) = ( 0.0119048 0.0000000 0.0000000), wk = 0.0028011 k( 3) = ( 0.0238095 0.0000000 0.0000000), wk = 0.0028011 k( 4) = ( 0.0357143 0.0000000 0.0000000), wk = 0.0028011 k( 5) = ( 0.0476191 0.0000000 0.0000000), wk = 0.0028011 k( 6) = ( 0.0595238 0.0000000 0.0000000), wk = 0.0028011 k( 7) = ( 0.0714286 0.0000000 0.0000000), wk = 0.0028011 k( 8) = ( 0.0833333 0.0000000 -0.0000000), wk = 0.0028011 k( 9) = ( 0.0952381 0.0000000 0.0000000), wk = 0.0028011 k( 10) = ( 0.1071429 -0.0000000 0.0000000), wk = 0.0028011 k( 11) = ( 0.1190476 0.0000000 0.0000000), wk = 0.0028011 k( 12) = ( 0.1309524 0.0000000 -0.0000000), wk = 0.0028011 k( 13) = ( 0.1428571 0.0000000 0.0000000), wk = 0.0028011 k( 14) = ( 0.1547619 0.0000000 0.0000000), wk = 0.0028011 k( 15) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0028011 k( 16) = ( 0.1785714 0.0000000 0.0000000), wk = 0.0028011 k( 17) = ( 0.1904762 0.0000000 0.0000000), wk = 0.0028011 k( 18) = ( 0.2023810 0.0000000 0.0000000), wk = 0.0028011 k( 19) = ( 0.2142857 -0.0000000 -0.0000000), wk = 0.0028011 k( 20) = ( 0.2261905 0.0000000 0.0000000), wk = 0.0028011 k( 21) = ( 0.2380952 0.0000000 0.0000000), wk = 0.0028011 k( 22) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0028011 k( 23) = ( 0.2619048 0.0000000 -0.0000000), wk = 0.0028011 k( 24) = ( 0.2738095 -0.0000000 0.0000000), wk = 0.0028011 k( 25) = ( 0.2857143 0.0000000 0.0000000), wk = 0.0028011 k( 26) = ( 0.2976190 0.0000000 0.0000000), wk = 0.0028011 k( 27) = ( 0.3095238 -0.0000000 0.0000000), wk = 0.0028011 k( 28) = ( 0.3214286 0.0000000 -0.0000000), wk = 0.0028011 k( 29) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0028011 k( 30) = ( 0.3452381 0.0000000 0.0000000), wk = 0.0028011 k( 31) = ( 0.3571429 0.0000000 0.0000000), wk = 0.0028011 k( 32) = ( 0.3690476 0.0000000 -0.0000000), wk = 0.0028011 k( 33) = ( 0.3809524 0.0000000 0.0000000), wk = 0.0028011 k( 34) = ( 0.3928571 0.0000000 0.0000000), wk = 0.0028011 k( 35) = ( 0.4047619 0.0000000 0.0000000), wk = 0.0028011 k( 36) = ( 0.4166667 0.0000000 0.0000000), wk = 0.0028011 k( 37) = ( 0.4285714 0.0000000 0.0000000), wk = 0.0028011 k( 38) = ( 0.4404762 0.0000000 -0.0000000), wk = 0.0028011 k( 39) = ( 0.4523810 0.0000000 0.0000000), wk = 0.0028011 k( 40) = ( 0.4642857 0.0000000 -0.0000000), wk = 0.0028011 k( 41) = ( 0.4761905 0.0000000 0.0000000), wk = 0.0028011 k( 42) = ( 0.4880952 0.0000000 0.0000000), wk = 0.0028011 k( 43) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0028011 k( 44) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0028011 k( 45) = ( 0.4930556 0.0138889 -0.0000000), wk = 0.0028011 k( 46) = ( 0.4861111 0.0277778 0.0000000), wk = 0.0028011 k( 47) = ( 0.4791667 0.0416667 -0.0000000), wk = 0.0028011 k( 48) = ( 0.4722222 0.0555556 -0.0000000), wk = 0.0028011 k( 49) = ( 0.4652778 0.0694444 0.0000000), wk = 0.0028011 k( 50) = ( 0.4583333 0.0833333 0.0000000), wk = 0.0028011 k( 51) = ( 0.4513889 0.0972222 -0.0000000), wk = 0.0028011 k( 52) = ( 0.4444444 0.1111111 0.0000000), wk = 0.0028011 k( 53) = ( 0.4375000 0.1250000 -0.0000000), wk = 0.0028011 k( 54) = ( 0.4305556 0.1388889 -0.0000000), wk = 0.0028011 k( 55) = ( 0.4236111 0.1527778 -0.0000000), wk = 0.0028011 k( 56) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0028011 k( 57) = ( 0.4097222 0.1805556 0.0000000), wk = 0.0028011 k( 58) = ( 0.4027778 0.1944444 -0.0000000), wk = 0.0028011 k( 59) = ( 0.3958333 0.2083333 -0.0000000), wk = 0.0028011 k( 60) = ( 0.3888889 0.2222222 0.0000000), wk = 0.0028011 k( 61) = ( 0.3819444 0.2361111 -0.0000000), wk = 0.0028011 k( 62) = ( 0.3750000 0.2500000 0.0000000), wk = 0.0028011 k( 63) = ( 0.3680556 0.2638889 0.0000000), wk = 0.0028011 k( 64) = ( 0.3611111 0.2777778 0.0000000), wk = 0.0028011 k( 65) = ( 0.3541667 0.2916667 0.0000000), wk = 0.0028011 k( 66) = ( 0.3472222 0.3055556 0.0000000), wk = 0.0028011 k( 67) = ( 0.3402778 0.3194444 0.0000000), wk = 0.0028011 k( 68) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0028011 k( 69) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0028011 k( 70) = ( 0.3263889 0.3263889 0.0000000), wk = 0.0028011 k( 71) = ( 0.3194444 0.3194444 0.0000000), wk = 0.0028011 k( 72) = ( 0.3125000 0.3125000 0.0000000), wk = 0.0028011 k( 73) = ( 0.3055556 0.3055556 -0.0000000), wk = 0.0028011 k( 74) = ( 0.2986111 0.2986111 0.0000000), wk = 0.0028011 k( 75) = ( 0.2916667 0.2916667 -0.0000000), wk = 0.0028011 k( 76) = ( 0.2847222 0.2847222 0.0000000), wk = 0.0028011 k( 77) = ( 0.2777778 0.2777778 0.0000000), wk = 0.0028011 k( 78) = ( 0.2708333 0.2708333 0.0000000), wk = 0.0028011 k( 79) = ( 0.2638889 0.2638889 0.0000000), wk = 0.0028011 k( 80) = ( 0.2569444 0.2569444 0.0000000), wk = 0.0028011 k( 81) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0028011 k( 82) = ( 0.2430556 0.2430556 -0.0000000), wk = 0.0028011 k( 83) = ( 0.2361111 0.2361111 -0.0000000), wk = 0.0028011 k( 84) = ( 0.2291667 0.2291667 0.0000000), wk = 0.0028011 k( 85) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0028011 k( 86) = ( 0.2152778 0.2152778 0.0000000), wk = 0.0028011 k( 87) = ( 0.2083333 0.2083333 0.0000000), wk = 0.0028011 k( 88) = ( 0.2013889 0.2013889 0.0000000), wk = 0.0028011 k( 89) = ( 0.1944444 0.1944444 0.0000000), wk = 0.0028011 k( 90) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0028011 k( 91) = ( 0.1805556 0.1805556 0.0000000), wk = 0.0028011 k( 92) = ( 0.1736111 0.1736111 0.0000000), wk = 0.0028011 k( 93) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0028011 k( 94) = ( 0.1597222 0.1597222 0.0000000), wk = 0.0028011 k( 95) = ( 0.1527778 0.1527778 -0.0000000), wk = 0.0028011 k( 96) = ( 0.1458333 0.1458333 0.0000000), wk = 0.0028011 k( 97) = ( 0.1388889 0.1388889 0.0000000), wk = 0.0028011 k( 98) = ( 0.1319444 0.1319444 -0.0000000), wk = 0.0028011 k( 99) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0028011 k( 100) = ( 0.1180556 0.1180556 0.0000000), wk = 0.0028011 k( 101) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0028011 k( 102) = ( 0.1041667 0.1041667 0.0000000), wk = 0.0028011 k( 103) = ( 0.0972222 0.0972222 0.0000000), wk = 0.0028011 k( 104) = ( 0.0902778 0.0902778 0.0000000), wk = 0.0028011 k( 105) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0028011 k( 106) = ( 0.0763889 0.0763889 -0.0000000), wk = 0.0028011 k( 107) = ( 0.0694444 0.0694444 -0.0000000), wk = 0.0028011 k( 108) = ( 0.0625000 0.0625000 0.0000000), wk = 0.0028011 k( 109) = ( 0.0555556 0.0555556 0.0000000), wk = 0.0028011 k( 110) = ( 0.0486111 0.0486111 0.0000000), wk = 0.0028011 k( 111) = ( 0.0416667 0.0416667 -0.0000000), wk = 0.0028011 k( 112) = ( 0.0347222 0.0347222 -0.0000000), wk = 0.0028011 k( 113) = ( 0.0277778 0.0277778 0.0000000), wk = 0.0028011 k( 114) = ( 0.0208333 0.0208333 0.0000000), wk = 0.0028011 k( 115) = ( 0.0138889 0.0138889 0.0000000), wk = 0.0028011 k( 116) = ( 0.0069444 0.0069444 0.0000000), wk = 0.0028011 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028011 k( 118) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028011 k( 119) = ( 0.0000000 0.0000000 0.0125000), wk = 0.0028011 k( 120) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0028011 k( 121) = ( 0.0000000 0.0000000 0.0375000), wk = 0.0028011 k( 122) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0028011 k( 123) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0028011 k( 124) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0028011 k( 125) = ( 0.0000000 0.0000000 0.0875000), wk = 0.0028011 k( 126) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0028011 k( 127) = ( 0.0000000 0.0000000 0.1125000), wk = 0.0028011 k( 128) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0028011 k( 129) = ( 0.0000000 0.0000000 0.1375000), wk = 0.0028011 k( 130) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0028011 k( 131) = ( 0.0000000 0.0000000 0.1625000), wk = 0.0028011 k( 132) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0028011 k( 133) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0028011 k( 134) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0028011 k( 135) = ( 0.0000000 0.0000000 0.2125000), wk = 0.0028011 k( 136) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0028011 k( 137) = ( 0.0000000 0.0000000 0.2375000), wk = 0.0028011 k( 138) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0028011 k( 139) = ( 0.0000000 0.0000000 0.2625000), wk = 0.0028011 k( 140) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0028011 k( 141) = ( 0.0000000 0.0000000 0.2875000), wk = 0.0028011 k( 142) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0028011 k( 143) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0028011 k( 144) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0028011 k( 145) = ( 0.0000000 0.0000000 0.3375000), wk = 0.0028011 k( 146) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0028011 k( 147) = ( 0.0000000 0.0000000 0.3625000), wk = 0.0028011 k( 148) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0028011 k( 149) = ( 0.0000000 0.0000000 0.3875000), wk = 0.0028011 k( 150) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0028011 k( 151) = ( 0.0000000 0.0000000 0.4125000), wk = 0.0028011 k( 152) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0028011 k( 153) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0028011 k( 154) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0028011 k( 155) = ( 0.0000000 0.0000000 0.4625000), wk = 0.0028011 k( 156) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0028011 k( 157) = ( 0.0000000 0.0000000 0.4875000), wk = 0.0028011 k( 158) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028011 k( 159) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028011 k( 160) = ( 0.0119048 0.0000000 0.5000000), wk = 0.0028011 k( 161) = ( 0.0238095 0.0000000 0.5000000), wk = 0.0028011 k( 162) = ( 0.0357143 0.0000000 0.5000000), wk = 0.0028011 k( 163) = ( 0.0476191 0.0000000 0.5000000), wk = 0.0028011 k( 164) = ( 0.0595238 0.0000000 0.5000000), wk = 0.0028011 k( 165) = ( 0.0714286 0.0000000 0.5000000), wk = 0.0028011 k( 166) = ( 0.0833333 0.0000000 0.5000000), wk = 0.0028011 k( 167) = ( 0.0952381 0.0000000 0.5000000), wk = 0.0028011 k( 168) = ( 0.1071429 -0.0000000 0.5000000), wk = 0.0028011 k( 169) = ( 0.1190476 0.0000000 0.5000000), wk = 0.0028011 k( 170) = ( 0.1309524 0.0000000 0.5000000), wk = 0.0028011 k( 171) = ( 0.1428571 0.0000000 0.5000000), wk = 0.0028011 k( 172) = ( 0.1547619 0.0000000 0.5000000), wk = 0.0028011 k( 173) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0028011 k( 174) = ( 0.1785714 0.0000000 0.5000000), wk = 0.0028011 k( 175) = ( 0.1904762 0.0000000 0.5000000), wk = 0.0028011 k( 176) = ( 0.2023810 0.0000000 0.5000000), wk = 0.0028011 k( 177) = ( 0.2142857 -0.0000000 0.5000000), wk = 0.0028011 k( 178) = ( 0.2261905 0.0000000 0.5000000), wk = 0.0028011 k( 179) = ( 0.2380952 0.0000000 0.5000000), wk = 0.0028011 k( 180) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0028011 k( 181) = ( 0.2619048 0.0000000 0.5000000), wk = 0.0028011 k( 182) = ( 0.2738095 -0.0000000 0.5000000), wk = 0.0028011 k( 183) = ( 0.2857143 0.0000000 0.5000000), wk = 0.0028011 k( 184) = ( 0.2976190 0.0000000 0.5000000), wk = 0.0028011 k( 185) = ( 0.3095238 -0.0000000 0.5000000), wk = 0.0028011 k( 186) = ( 0.3214286 0.0000000 0.5000000), wk = 0.0028011 k( 187) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0028011 k( 188) = ( 0.3452381 0.0000000 0.5000000), wk = 0.0028011 k( 189) = ( 0.3571429 0.0000000 0.5000000), wk = 0.0028011 k( 190) = ( 0.3690476 0.0000000 0.5000000), wk = 0.0028011 k( 191) = ( 0.3809524 0.0000000 0.5000000), wk = 0.0028011 k( 192) = ( 0.3928571 0.0000000 0.5000000), wk = 0.0028011 k( 193) = ( 0.4047619 0.0000000 0.5000000), wk = 0.0028011 k( 194) = ( 0.4166667 0.0000000 0.5000000), wk = 0.0028011 k( 195) = ( 0.4285714 0.0000000 0.5000000), wk = 0.0028011 k( 196) = ( 0.4404762 0.0000000 0.5000000), wk = 0.0028011 k( 197) = ( 0.4523810 0.0000000 0.5000000), wk = 0.0028011 k( 198) = ( 0.4642857 0.0000000 0.5000000), wk = 0.0028011 k( 199) = ( 0.4761905 0.0000000 0.5000000), wk = 0.0028011 k( 200) = ( 0.4880952 0.0000000 0.5000000), wk = 0.0028011 k( 201) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028011 k( 202) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028011 k( 203) = ( 0.4930556 0.0138889 0.5000000), wk = 0.0028011 k( 204) = ( 0.4861111 0.0277778 0.5000000), wk = 0.0028011 k( 205) = ( 0.4791667 0.0416667 0.5000000), wk = 0.0028011 k( 206) = ( 0.4722222 0.0555556 0.5000000), wk = 0.0028011 k( 207) = ( 0.4652778 0.0694444 0.5000000), wk = 0.0028011 k( 208) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0028011 k( 209) = ( 0.4513889 0.0972222 0.5000000), wk = 0.0028011 k( 210) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0028011 k( 211) = ( 0.4375000 0.1250000 0.5000000), wk = 0.0028011 k( 212) = ( 0.4305556 0.1388889 0.5000000), wk = 0.0028011 k( 213) = ( 0.4236111 0.1527778 0.5000000), wk = 0.0028011 k( 214) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0028011 k( 215) = ( 0.4097222 0.1805556 0.5000000), wk = 0.0028011 k( 216) = ( 0.4027778 0.1944444 0.5000000), wk = 0.0028011 k( 217) = ( 0.3958333 0.2083333 0.5000000), wk = 0.0028011 k( 218) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0028011 k( 219) = ( 0.3819444 0.2361111 0.5000000), wk = 0.0028011 k( 220) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0028011 k( 221) = ( 0.3680556 0.2638889 0.5000000), wk = 0.0028011 k( 222) = ( 0.3611111 0.2777778 0.5000000), wk = 0.0028011 k( 223) = ( 0.3541667 0.2916667 0.5000000), wk = 0.0028011 k( 224) = ( 0.3472222 0.3055556 0.5000000), wk = 0.0028011 k( 225) = ( 0.3402778 0.3194444 0.5000000), wk = 0.0028011 k( 226) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0028011 k( 227) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0028011 k( 228) = ( 0.3263889 0.3263889 0.5000000), wk = 0.0028011 k( 229) = ( 0.3194444 0.3194444 0.5000000), wk = 0.0028011 k( 230) = ( 0.3125000 0.3125000 0.5000000), wk = 0.0028011 k( 231) = ( 0.3055556 0.3055556 0.5000000), wk = 0.0028011 k( 232) = ( 0.2986111 0.2986111 0.5000000), wk = 0.0028011 k( 233) = ( 0.2916667 0.2916667 0.5000000), wk = 0.0028011 k( 234) = ( 0.2847222 0.2847222 0.5000000), wk = 0.0028011 k( 235) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0028011 k( 236) = ( 0.2708333 0.2708333 0.5000000), wk = 0.0028011 k( 237) = ( 0.2638889 0.2638889 0.5000000), wk = 0.0028011 k( 238) = ( 0.2569444 0.2569444 0.5000000), wk = 0.0028011 k( 239) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0028011 k( 240) = ( 0.2430556 0.2430556 0.5000000), wk = 0.0028011 k( 241) = ( 0.2361111 0.2361111 0.5000000), wk = 0.0028011 k( 242) = ( 0.2291667 0.2291667 0.5000000), wk = 0.0028011 k( 243) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0028011 k( 244) = ( 0.2152778 0.2152778 0.5000000), wk = 0.0028011 k( 245) = ( 0.2083333 0.2083333 0.5000000), wk = 0.0028011 k( 246) = ( 0.2013889 0.2013889 0.5000000), wk = 0.0028011 k( 247) = ( 0.1944444 0.1944444 0.5000000), wk = 0.0028011 k( 248) = ( 0.1875000 0.1875000 0.5000000), wk = 0.0028011 k( 249) = ( 0.1805556 0.1805556 0.5000000), wk = 0.0028011 k( 250) = ( 0.1736111 0.1736111 0.5000000), wk = 0.0028011 k( 251) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0028011 k( 252) = ( 0.1597222 0.1597222 0.5000000), wk = 0.0028011 k( 253) = ( 0.1527778 0.1527778 0.5000000), wk = 0.0028011 k( 254) = ( 0.1458333 0.1458333 0.5000000), wk = 0.0028011 k( 255) = ( 0.1388889 0.1388889 0.5000000), wk = 0.0028011 k( 256) = ( 0.1319444 0.1319444 0.5000000), wk = 0.0028011 k( 257) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0028011 k( 258) = ( 0.1180556 0.1180556 0.5000000), wk = 0.0028011 k( 259) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0028011 k( 260) = ( 0.1041667 0.1041667 0.5000000), wk = 0.0028011 k( 261) = ( 0.0972222 0.0972222 0.5000000), wk = 0.0028011 k( 262) = ( 0.0902778 0.0902778 0.5000000), wk = 0.0028011 k( 263) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0028011 k( 264) = ( 0.0763889 0.0763889 0.5000000), wk = 0.0028011 k( 265) = ( 0.0694444 0.0694444 0.5000000), wk = 0.0028011 k( 266) = ( 0.0625000 0.0625000 0.5000000), wk = 0.0028011 k( 267) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0028011 k( 268) = ( 0.0486111 0.0486111 0.5000000), wk = 0.0028011 k( 269) = ( 0.0416667 0.0416667 0.5000000), wk = 0.0028011 k( 270) = ( 0.0347222 0.0347222 0.5000000), wk = 0.0028011 k( 271) = ( 0.0277778 0.0277778 0.5000000), wk = 0.0028011 k( 272) = ( 0.0208333 0.0208333 0.5000000), wk = 0.0028011 k( 273) = ( 0.0138889 0.0138889 0.5000000), wk = 0.0028011 k( 274) = ( 0.0069444 0.0069444 0.5000000), wk = 0.0028011 k( 275) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028011 k( 276) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028011 k( 277) = ( 0.5000000 0.0000000 0.4875000), wk = 0.0028011 k( 278) = ( 0.5000000 0.0000000 0.4750000), wk = 0.0028011 k( 279) = ( 0.5000000 0.0000000 0.4625000), wk = 0.0028011 k( 280) = ( 0.5000000 0.0000000 0.4500000), wk = 0.0028011 k( 281) = ( 0.5000000 0.0000000 0.4375000), wk = 0.0028011 k( 282) = ( 0.5000000 0.0000000 0.4250000), wk = 0.0028011 k( 283) = ( 0.5000000 0.0000000 0.4125000), wk = 0.0028011 k( 284) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0028011 k( 285) = ( 0.5000000 0.0000000 0.3875000), wk = 0.0028011 k( 286) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0028011 k( 287) = ( 0.5000000 0.0000000 0.3625000), wk = 0.0028011 k( 288) = ( 0.5000000 0.0000000 0.3500000), wk = 0.0028011 k( 289) = ( 0.5000000 0.0000000 0.3375000), wk = 0.0028011 k( 290) = ( 0.5000000 0.0000000 0.3250000), wk = 0.0028011 k( 291) = ( 0.5000000 0.0000000 0.3125000), wk = 0.0028011 k( 292) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0028011 k( 293) = ( 0.5000000 0.0000000 0.2875000), wk = 0.0028011 k( 294) = ( 0.5000000 0.0000000 0.2750000), wk = 0.0028011 k( 295) = ( 0.5000000 0.0000000 0.2625000), wk = 0.0028011 k( 296) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0028011 k( 297) = ( 0.5000000 0.0000000 0.2375000), wk = 0.0028011 k( 298) = ( 0.5000000 0.0000000 0.2250000), wk = 0.0028011 k( 299) = ( 0.5000000 0.0000000 0.2125000), wk = 0.0028011 k( 300) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0028011 k( 301) = ( 0.5000000 0.0000000 0.1875000), wk = 0.0028011 k( 302) = ( 0.5000000 0.0000000 0.1750000), wk = 0.0028011 k( 303) = ( 0.5000000 0.0000000 0.1625000), wk = 0.0028011 k( 304) = ( 0.5000000 0.0000000 0.1500000), wk = 0.0028011 k( 305) = ( 0.5000000 0.0000000 0.1375000), wk = 0.0028011 k( 306) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0028011 k( 307) = ( 0.5000000 0.0000000 0.1125000), wk = 0.0028011 k( 308) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0028011 k( 309) = ( 0.5000000 0.0000000 0.0875000), wk = 0.0028011 k( 310) = ( 0.5000000 0.0000000 0.0750000), wk = 0.0028011 k( 311) = ( 0.5000000 0.0000000 0.0625000), wk = 0.0028011 k( 312) = ( 0.5000000 0.0000000 0.0500000), wk = 0.0028011 k( 313) = ( 0.5000000 0.0000000 0.0375000), wk = 0.0028011 k( 314) = ( 0.5000000 0.0000000 0.0250000), wk = 0.0028011 k( 315) = ( 0.5000000 0.0000000 0.0125000), wk = 0.0028011 k( 316) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0028011 k( 317) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0028011 k( 318) = ( 0.3333333 0.3333333 0.0125000), wk = 0.0028011 k( 319) = ( 0.3333333 0.3333333 0.0250000), wk = 0.0028011 k( 320) = ( 0.3333333 0.3333333 0.0375000), wk = 0.0028011 k( 321) = ( 0.3333333 0.3333333 0.0500000), wk = 0.0028011 k( 322) = ( 0.3333333 0.3333333 0.0625000), wk = 0.0028011 k( 323) = ( 0.3333333 0.3333333 0.0750000), wk = 0.0028011 k( 324) = ( 0.3333333 0.3333333 0.0875000), wk = 0.0028011 k( 325) = ( 0.3333333 0.3333333 0.1000000), wk = 0.0028011 k( 326) = ( 0.3333333 0.3333333 0.1125000), wk = 0.0028011 k( 327) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0028011 k( 328) = ( 0.3333333 0.3333333 0.1375000), wk = 0.0028011 k( 329) = ( 0.3333333 0.3333333 0.1500000), wk = 0.0028011 k( 330) = ( 0.3333333 0.3333333 0.1625000), wk = 0.0028011 k( 331) = ( 0.3333333 0.3333333 0.1750000), wk = 0.0028011 k( 332) = ( 0.3333333 0.3333333 0.1875000), wk = 0.0028011 k( 333) = ( 0.3333333 0.3333333 0.2000000), wk = 0.0028011 k( 334) = ( 0.3333333 0.3333333 0.2125000), wk = 0.0028011 k( 335) = ( 0.3333333 0.3333333 0.2250000), wk = 0.0028011 k( 336) = ( 0.3333333 0.3333333 0.2375000), wk = 0.0028011 k( 337) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0028011 k( 338) = ( 0.3333333 0.3333333 0.2625000), wk = 0.0028011 k( 339) = ( 0.3333333 0.3333333 0.2750000), wk = 0.0028011 k( 340) = ( 0.3333333 0.3333333 0.2875000), wk = 0.0028011 k( 341) = ( 0.3333333 0.3333333 0.3000000), wk = 0.0028011 k( 342) = ( 0.3333333 0.3333333 0.3125000), wk = 0.0028011 k( 343) = ( 0.3333333 0.3333333 0.3250000), wk = 0.0028011 k( 344) = ( 0.3333333 0.3333333 0.3375000), wk = 0.0028011 k( 345) = ( 0.3333333 0.3333333 0.3500000), wk = 0.0028011 k( 346) = ( 0.3333333 0.3333333 0.3625000), wk = 0.0028011 k( 347) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0028011 k( 348) = ( 0.3333333 0.3333333 0.3875000), wk = 0.0028011 k( 349) = ( 0.3333333 0.3333333 0.4000000), wk = 0.0028011 k( 350) = ( 0.3333333 0.3333333 0.4125000), wk = 0.0028011 k( 351) = ( 0.3333333 0.3333333 0.4250000), wk = 0.0028011 k( 352) = ( 0.3333333 0.3333333 0.4375000), wk = 0.0028011 k( 353) = ( 0.3333333 0.3333333 0.4500000), wk = 0.0028011 k( 354) = ( 0.3333333 0.3333333 0.4625000), wk = 0.0028011 k( 355) = ( 0.3333333 0.3333333 0.4750000), wk = 0.0028011 k( 356) = ( 0.3333333 0.3333333 0.4875000), wk = 0.0028011 k( 357) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0028011 Dense grid: 63049 G-vectors FFT dimensions: ( 54, 54, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.14 Mb ( 346, 26) NL pseudopotentials 0.22 Mb ( 173, 82) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.01 Mb ( 1314) G-vector shells 0.00 Mb ( 610) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.55 Mb ( 346, 104) Each subspace H/S matrix 0.17 Mb ( 104, 104) Each matrix 0.07 Mb ( 82, 2, 26) The potential is recalculated from file : ./SrLiP.save/charge-density.dat Starting wfc are 34 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 43.9 secs Computing kpt #: 2 total cpu time spent up to now is 44.8 secs Computing kpt #: 3 total cpu time spent up to now is 45.6 secs Computing kpt #: 4 total cpu time spent up to now is 46.4 secs Computing kpt #: 5 total cpu time spent up to now is 47.3 secs Computing kpt #: 6 total cpu time spent up to now is 48.2 secs Computing kpt #: 7 total cpu time spent up to now is 49.1 secs Computing kpt #: 8 total cpu time spent up to now is 50.0 secs Computing kpt #: 9 total cpu time spent up to now is 51.0 secs Computing kpt #: 10 total cpu time spent up to now is 51.9 secs Computing kpt #: 11 total cpu time spent up to now is 52.9 secs Computing kpt #: 12 total cpu time spent up to now is 53.9 secs Computing kpt #: 13 total cpu time spent up to now is 54.9 secs Computing kpt #: 14 total cpu time spent up to now is 56.0 secs Computing kpt #: 15 total cpu time spent up to now is 56.9 secs Computing kpt #: 16 total cpu time spent up to now is 57.8 secs Computing kpt #: 17 total cpu time spent up to now is 58.8 secs Computing kpt #: 18 total cpu time spent up to now is 59.8 secs Computing kpt #: 19 total cpu time spent up to now is 60.9 secs Computing kpt #: 20 total cpu time spent up to now is 61.9 secs Computing kpt #: 21 total cpu time spent up to now is 62.8 secs Computing kpt #: 22 total cpu time spent up to now is 63.8 secs Computing kpt #: 23 total cpu time spent up to now is 64.9 secs Computing kpt #: 24 total cpu time spent up to now is 65.9 secs Computing kpt #: 25 total cpu time spent up to now is 66.9 secs Computing kpt #: 26 total cpu time spent up to now is 67.9 secs Computing kpt #: 27 total cpu time spent up to now is 69.0 secs Computing kpt #: 28 total cpu time spent up to now is 70.1 secs Computing kpt #: 29 total cpu time spent up to now is 71.5 secs Computing kpt #: 30 total cpu time spent up to now is 72.8 secs Computing kpt #: 31 total cpu time spent up to now is 74.2 secs Computing kpt #: 32 total cpu time spent up to now is 75.6 secs Computing kpt #: 33 total cpu time spent up to now is 76.9 secs Computing kpt #: 34 total cpu time spent up to now is 78.4 secs Computing kpt #: 35 total cpu time spent up to now is 79.7 secs Computing kpt #: 36 total cpu time spent up to now is 80.8 secs Computing kpt #: 37 total cpu time spent up to now is 82.2 secs Computing kpt #: 38 total cpu time spent up to now is 83.6 secs Computing kpt #: 39 total cpu time spent up to now is 85.1 secs Computing kpt #: 40 total cpu time spent up to now is 86.4 secs Computing kpt #: 41 total cpu time spent up to now is 87.6 secs Computing kpt #: 42 total cpu time spent up to now is 88.9 secs Computing kpt #: 43 total cpu time spent up to now is 90.0 secs Computing kpt #: 44 total cpu time spent up to now is 91.2 secs Computing kpt #: 45 total cpu time spent up to now is 92.3 secs Computing kpt #: 46 total cpu time spent up to now is 93.5 secs Computing kpt #: 47 total cpu time spent up to now is 94.8 secs Computing kpt #: 48 total cpu time spent up to now is 96.1 secs Computing kpt #: 49 total cpu time spent up to now is 97.4 secs Computing kpt #: 50 total cpu time spent up to now is 98.6 secs Computing kpt #: 51 total cpu time spent up to now is 99.7 secs Computing kpt #: 52 total cpu time spent up to now is 100.9 secs Computing kpt #: 53 total cpu time spent up to now is 102.0 secs Computing kpt #: 54 total cpu time spent up to now is 103.1 secs Computing kpt #: 55 total cpu time spent up to now is 104.1 secs Computing kpt #: 56 total cpu time spent up to now is 105.1 secs Computing kpt #: 57 total cpu time spent up to now is 106.0 secs Computing kpt #: 58 total cpu time spent up to now is 107.4 secs Computing kpt #: 59 total cpu time spent up to now is 108.4 secs Computing kpt #: 60 total cpu time spent up to now is 109.5 secs Computing kpt #: 61 total cpu time spent up to now is 110.5 secs Computing kpt #: 62 total cpu time spent up to now is 111.6 secs Computing kpt #: 63 total cpu time spent up to now is 112.6 secs Computing kpt #: 64 total cpu time spent up to now is 113.6 secs Computing kpt #: 65 total cpu time spent up to now is 114.6 secs Computing kpt #: 66 total cpu time spent up to now is 115.5 secs Computing kpt #: 67 total cpu time spent up to now is 116.5 secs Computing kpt #: 68 total cpu time spent up to now is 117.4 secs Computing kpt #: 69 total cpu time spent up to now is 118.2 secs Computing kpt #: 70 total cpu time spent up to now is 119.2 secs Computing kpt #: 71 total cpu time spent up to now is 120.2 secs Computing kpt #: 72 total cpu time spent up to now is 121.2 secs Computing kpt #: 73 total cpu time spent up to now is 122.1 secs Computing kpt #: 74 total cpu time spent up to now is 123.0 secs Computing kpt #: 75 total cpu time spent up to now is 124.0 secs Computing kpt #: 76 total cpu time spent up to now is 125.0 secs Computing kpt #: 77 total cpu time spent up to now is 126.0 secs Computing kpt #: 78 total cpu time spent up to now is 127.2 secs Computing kpt #: 79 total cpu time spent up to now is 128.3 secs Computing kpt #: 80 total cpu time spent up to now is 129.7 secs Computing kpt #: 81 total cpu time spent up to now is 130.9 secs Computing kpt #: 82 total cpu time spent up to now is 132.1 secs Computing kpt #: 83 total cpu time spent up to now is 133.1 secs Computing kpt #: 84 total cpu time spent up to now is 134.2 secs Computing kpt #: 85 total cpu time spent up to now is 135.3 secs Computing kpt #: 86 total cpu time spent up to now is 136.4 secs Computing kpt #: 87 total cpu time spent up to now is 137.4 secs Computing kpt #: 88 total cpu time spent up to now is 138.4 secs Computing kpt #: 89 total cpu time spent up to now is 139.6 secs Computing kpt #: 90 total cpu time spent up to now is 140.6 secs Computing kpt #: 91 total cpu time spent up to now is 141.5 secs Computing kpt #: 92 total cpu time spent up to now is 142.6 secs Computing kpt #: 93 total cpu time spent up to now is 143.8 secs Computing kpt #: 94 total cpu time spent up to now is 144.9 secs Computing kpt #: 95 total cpu time spent up to now is 146.0 secs Computing kpt #: 96 total cpu time spent up to now is 147.0 secs Computing kpt #: 97 total cpu time spent up to now is 148.2 secs Computing kpt #: 98 total cpu time spent up to now is 149.7 secs Computing kpt #: 99 total cpu time spent up to now is 151.0 secs Computing kpt #: 100 total cpu time spent up to now is 152.0 secs Computing kpt #: 101 total cpu time spent up to now is 153.1 secs Computing kpt #: 102 total cpu time spent up to now is 154.1 secs Computing kpt #: 103 total cpu time spent up to now is 155.1 secs Computing kpt #: 104 total cpu time spent up to now is 156.1 secs Computing kpt #: 105 total cpu time spent up to now is 157.0 secs Computing kpt #: 106 total cpu time spent up to now is 158.0 secs Computing kpt #: 107 total cpu time spent up to now is 158.8 secs Computing kpt #: 108 total cpu time spent up to now is 159.8 secs Computing kpt #: 109 total cpu time spent up to now is 160.8 secs Computing kpt #: 110 total cpu time spent up to now is 161.8 secs Computing kpt #: 111 total cpu time spent up to now is 162.6 secs Computing kpt #: 112 total cpu time spent up to now is 163.5 secs Computing kpt #: 113 total cpu time spent up to now is 164.3 secs Computing kpt #: 114 total cpu time spent up to now is 165.1 secs Computing kpt #: 115 total cpu time spent up to now is 165.9 secs Computing kpt #: 116 total cpu time spent up to now is 166.8 secs Computing kpt #: 117 total cpu time spent up to now is 167.7 secs Computing kpt #: 118 total cpu time spent up to now is 168.7 secs Computing kpt #: 119 total cpu time spent up to now is 169.7 secs Computing kpt #: 120 total cpu time spent up to now is 170.6 secs Computing kpt #: 121 total cpu time spent up to now is 171.5 secs Computing kpt #: 122 total cpu time spent up to now is 172.7 secs Computing kpt #: 123 total cpu time spent up to now is 173.9 secs Computing kpt #: 124 total cpu time spent up to now is 174.9 secs Computing kpt #: 125 total cpu time spent up to now is 175.9 secs Computing kpt #: 126 total cpu time spent up to now is 176.8 secs Computing kpt #: 127 total cpu time spent up to now is 177.7 secs Computing kpt #: 128 total cpu time spent up to now is 178.7 secs Computing kpt #: 129 total cpu time spent up to now is 179.7 secs Computing kpt #: 130 total cpu time spent up to now is 180.5 secs Computing kpt #: 131 total cpu time spent up to now is 181.4 secs Computing kpt #: 132 total cpu time spent up to now is 182.2 secs Computing kpt #: 133 total cpu time spent up to now is 183.0 secs Computing kpt #: 134 total cpu time spent up to now is 183.8 secs Computing kpt #: 135 total cpu time spent up to now is 184.6 secs Computing kpt #: 136 total cpu time spent up to now is 185.4 secs Computing kpt #: 137 total cpu time spent up to now is 186.5 secs Computing kpt #: 138 total cpu time spent up to now is 187.3 secs Computing kpt #: 139 total cpu time spent up to now is 188.3 secs Computing kpt #: 140 total cpu time spent up to now is 189.1 secs Computing kpt #: 141 total cpu time spent up to now is 190.0 secs Computing kpt #: 142 total cpu time spent up to now is 191.1 secs Computing kpt #: 143 total cpu time spent up to now is 192.3 secs Computing kpt #: 144 total cpu time spent up to now is 193.5 secs Computing kpt #: 145 total cpu time spent up to now is 194.7 secs Computing kpt #: 146 total cpu time spent up to now is 196.0 secs Computing kpt #: 147 total cpu time spent up to now is 197.4 secs Computing kpt #: 148 total cpu time spent up to now is 198.6 secs Computing kpt #: 149 total cpu time spent up to now is 199.8 secs Computing kpt #: 150 total cpu time spent up to now is 201.0 secs Computing kpt #: 151 total cpu time spent up to now is 202.1 secs Computing kpt #: 152 total cpu time spent up to now is 203.5 secs Computing kpt #: 153 total cpu time spent up to now is 205.1 secs Computing kpt #: 154 total cpu time spent up to now is 206.8 secs Computing kpt #: 155 total cpu time spent up to now is 207.7 secs Computing kpt #: 156 total cpu time spent up to now is 208.5 secs Computing kpt #: 157 total cpu time spent up to now is 209.4 secs Computing kpt #: 158 total cpu time spent up to now is 210.4 secs Computing kpt #: 159 total cpu time spent up to now is 211.5 secs Computing kpt #: 160 total cpu time spent up to now is 212.5 secs Computing kpt #: 161 total cpu time spent up to now is 213.6 secs Computing kpt #: 162 total cpu time spent up to now is 214.7 secs Computing kpt #: 163 total cpu time spent up to now is 215.8 secs Computing kpt #: 164 total cpu time spent up to now is 216.7 secs Computing kpt #: 165 total cpu time spent up to now is 217.7 secs Computing kpt #: 166 total cpu time spent up to now is 218.6 secs Computing kpt #: 167 total cpu time spent up to now is 219.6 secs Computing kpt #: 168 total cpu time spent up to now is 220.6 secs Computing kpt #: 169 total cpu time spent up to now is 221.7 secs Computing kpt #: 170 total cpu time spent up to now is 222.8 secs Computing kpt #: 171 total cpu time spent up to now is 223.8 secs Computing kpt #: 172 total cpu time spent up to now is 224.6 secs Computing kpt #: 173 total cpu time spent up to now is 225.4 secs Computing kpt #: 174 total cpu time spent up to now is 226.2 secs Computing kpt #: 175 total cpu time spent up to now is 227.0 secs Computing kpt #: 176 total cpu time spent up to now is 227.9 secs Computing kpt #: 177 total cpu time spent up to now is 229.1 secs Computing kpt #: 178 total cpu time spent up to now is 230.5 secs Computing kpt #: 179 total cpu time spent up to now is 231.5 secs Computing kpt #: 180 total cpu time spent up to now is 232.4 secs Computing kpt #: 181 total cpu time spent up to now is 233.4 secs Computing kpt #: 182 total cpu time spent up to now is 234.4 secs Computing kpt #: 183 total cpu time spent up to now is 235.3 secs Computing kpt #: 184 total cpu time spent up to now is 236.2 secs Computing kpt #: 185 total cpu time spent up to now is 237.2 secs Computing kpt #: 186 total cpu time spent up to now is 238.1 secs Computing kpt #: 187 total cpu time spent up to now is 239.1 secs Computing kpt #: 188 total cpu time spent up to now is 240.1 secs Computing kpt #: 189 total cpu time spent up to now is 241.1 secs Computing kpt #: 190 total cpu time spent up to now is 242.1 secs Computing kpt #: 191 total cpu time spent up to now is 243.1 secs Computing kpt #: 192 total cpu time spent up to now is 244.1 secs Computing kpt #: 193 total cpu time spent up to now is 245.5 secs Computing kpt #: 194 total cpu time spent up to now is 247.1 secs Computing kpt #: 195 total cpu time spent up to now is 248.2 secs Computing kpt #: 196 total cpu time spent up to now is 249.3 secs Computing kpt #: 197 total cpu time spent up to now is 250.4 secs Computing kpt #: 198 total cpu time spent up to now is 251.7 secs Computing kpt #: 199 total cpu time spent up to now is 252.8 secs Computing kpt #: 200 total cpu time spent up to now is 254.1 secs Computing kpt #: 201 total cpu time spent up to now is 255.2 secs Computing kpt #: 202 total cpu time spent up to now is 256.4 secs Computing kpt #: 203 total cpu time spent up to now is 257.6 secs Computing kpt #: 204 total cpu time spent up to now is 258.8 secs Computing kpt #: 205 total cpu time spent up to now is 259.9 secs Computing kpt #: 206 total cpu time spent up to now is 261.0 secs Computing kpt #: 207 total cpu time spent up to now is 262.1 secs Computing kpt #: 208 total cpu time spent up to now is 263.6 secs Computing kpt #: 209 total cpu time spent up to now is 264.8 secs Computing kpt #: 210 total cpu time spent up to now is 266.1 secs Computing kpt #: 211 total cpu time spent up to now is 267.3 secs Computing kpt #: 212 total cpu time spent up to now is 268.7 secs Computing kpt #: 213 total cpu time spent up to now is 270.1 secs Computing kpt #: 214 total cpu time spent up to now is 271.4 secs Computing kpt #: 215 total cpu time spent up to now is 272.6 secs Computing kpt #: 216 total cpu time spent up to now is 273.9 secs Computing kpt #: 217 total cpu time spent up to now is 275.1 secs Computing kpt #: 218 total cpu time spent up to now is 276.5 secs Computing kpt #: 219 total cpu time spent up to now is 277.8 secs Computing kpt #: 220 total cpu time spent up to now is 279.0 secs Computing kpt #: 221 total cpu time spent up to now is 280.6 secs Computing kpt #: 222 total cpu time spent up to now is 282.0 secs Computing kpt #: 223 total cpu time spent up to now is 283.4 secs Computing kpt #: 224 total cpu time spent up to now is 284.8 secs Computing kpt #: 225 total cpu time spent up to now is 286.4 secs Computing kpt #: 226 total cpu time spent up to now is 287.9 secs Computing kpt #: 227 total cpu time spent up to now is 289.4 secs Computing kpt #: 228 total cpu time spent up to now is 290.8 secs Computing kpt #: 229 total cpu time spent up to now is 292.1 secs Computing kpt #: 230 total cpu time spent up to now is 293.6 secs Computing kpt #: 231 total cpu time spent up to now is 295.0 secs Computing kpt #: 232 total cpu time spent up to now is 296.2 secs Computing kpt #: 233 total cpu time spent up to now is 297.5 secs Computing kpt #: 234 total cpu time spent up to now is 298.7 secs Computing kpt #: 235 total cpu time spent up to now is 300.3 secs Computing kpt #: 236 total cpu time spent up to now is 301.6 secs Computing kpt #: 237 total cpu time spent up to now is 302.9 secs Computing kpt #: 238 total cpu time spent up to now is 304.4 secs Computing kpt #: 239 total cpu time spent up to now is 306.7 secs Computing kpt #: 240 total cpu time spent up to now is 308.6 secs Computing kpt #: 241 total cpu time spent up to now is 310.4 secs Computing kpt #: 242 total cpu time spent up to now is 311.6 secs Computing kpt #: 243 total cpu time spent up to now is 312.5 secs Computing kpt #: 244 total cpu time spent up to now is 313.4 secs Computing kpt #: 245 total cpu time spent up to now is 314.4 secs Computing kpt #: 246 total cpu time spent up to now is 315.3 secs Computing kpt #: 247 total cpu time spent up to now is 316.3 secs Computing kpt #: 248 total cpu time spent up to now is 317.3 secs Computing kpt #: 249 total cpu time spent up to now is 318.3 secs Computing kpt #: 250 total cpu time spent up to now is 319.2 secs Computing kpt #: 251 total cpu time spent up to now is 320.2 secs Computing kpt #: 252 total cpu time spent up to now is 321.0 secs Computing kpt #: 253 total cpu time spent up to now is 321.8 secs Computing kpt #: 254 total cpu time spent up to now is 322.7 secs Computing kpt #: 255 total cpu time spent up to now is 323.6 secs Computing kpt #: 256 total cpu time spent up to now is 324.5 secs Computing kpt #: 257 total cpu time spent up to now is 325.4 secs Computing kpt #: 258 total cpu time spent up to now is 326.2 secs Computing kpt #: 259 total cpu time spent up to now is 327.0 secs Computing kpt #: 260 total cpu time spent up to now is 327.8 secs Computing kpt #: 261 total cpu time spent up to now is 328.9 secs Computing kpt #: 262 total cpu time spent up to now is 329.8 secs Computing kpt #: 263 total cpu time spent up to now is 330.7 secs Computing kpt #: 264 total cpu time spent up to now is 331.5 secs Computing kpt #: 265 total cpu time spent up to now is 332.4 secs Computing kpt #: 266 total cpu time spent up to now is 333.3 secs Computing kpt #: 267 total cpu time spent up to now is 334.2 secs Computing kpt #: 268 total cpu time spent up to now is 335.2 secs Computing kpt #: 269 total cpu time spent up to now is 336.1 secs Computing kpt #: 270 total cpu time spent up to now is 337.1 secs Computing kpt #: 271 total cpu time spent up to now is 338.1 secs Computing kpt #: 272 total cpu time spent up to now is 339.0 secs Computing kpt #: 273 total cpu time spent up to now is 340.0 secs Computing kpt #: 274 total cpu time spent up to now is 341.0 secs Computing kpt #: 275 total cpu time spent up to now is 342.1 secs Computing kpt #: 276 total cpu time spent up to now is 343.3 secs Computing kpt #: 277 total cpu time spent up to now is 344.4 secs Computing kpt #: 278 total cpu time spent up to now is 345.5 secs Computing kpt #: 279 total cpu time spent up to now is 346.6 secs Computing kpt #: 280 total cpu time spent up to now is 347.8 secs Computing kpt #: 281 total cpu time spent up to now is 349.0 secs Computing kpt #: 282 total cpu time spent up to now is 350.1 secs Computing kpt #: 283 total cpu time spent up to now is 351.2 secs Computing kpt #: 284 total cpu time spent up to now is 352.5 secs Computing kpt #: 285 total cpu time spent up to now is 353.8 secs Computing kpt #: 286 total cpu time spent up to now is 354.9 secs Computing kpt #: 287 total cpu time spent up to now is 356.1 secs Computing kpt #: 288 total cpu time spent up to now is 357.4 secs Computing kpt #: 289 total cpu time spent up to now is 358.7 secs Computing kpt #: 290 total cpu time spent up to now is 360.0 secs Computing kpt #: 291 total cpu time spent up to now is 361.1 secs Computing kpt #: 292 total cpu time spent up to now is 362.3 secs Computing kpt #: 293 total cpu time spent up to now is 363.5 secs Computing kpt #: 294 total cpu time spent up to now is 364.8 secs Computing kpt #: 295 total cpu time spent up to now is 366.0 secs Computing kpt #: 296 total cpu time spent up to now is 367.2 secs Computing kpt #: 297 total cpu time spent up to now is 368.3 secs Computing kpt #: 298 total cpu time spent up to now is 369.5 secs Computing kpt #: 299 total cpu time spent up to now is 371.0 secs Computing kpt #: 300 total cpu time spent up to now is 372.2 secs Computing kpt #: 301 total cpu time spent up to now is 373.4 secs Computing kpt #: 302 total cpu time spent up to now is 374.6 secs Computing kpt #: 303 total cpu time spent up to now is 375.7 secs Computing kpt #: 304 total cpu time spent up to now is 376.9 secs Computing kpt #: 305 total cpu time spent up to now is 378.1 secs Computing kpt #: 306 total cpu time spent up to now is 379.2 secs Computing kpt #: 307 total cpu time spent up to now is 380.3 secs Computing kpt #: 308 total cpu time spent up to now is 381.5 secs Computing kpt #: 309 total cpu time spent up to now is 382.6 secs Computing kpt #: 310 total cpu time spent up to now is 383.8 secs Computing kpt #: 311 total cpu time spent up to now is 385.0 secs Computing kpt #: 312 total cpu time spent up to now is 386.1 secs Computing kpt #: 313 total cpu time spent up to now is 387.2 secs Computing kpt #: 314 total cpu time spent up to now is 388.3 secs Computing kpt #: 315 total cpu time spent up to now is 389.4 secs Computing kpt #: 316 total cpu time spent up to now is 390.9 secs Computing kpt #: 317 total cpu time spent up to now is 391.9 secs Computing kpt #: 318 total cpu time spent up to now is 393.2 secs Computing kpt #: 319 total cpu time spent up to now is 394.6 secs Computing kpt #: 320 total cpu time spent up to now is 395.6 secs Computing kpt #: 321 total cpu time spent up to now is 396.5 secs Computing kpt #: 322 total cpu time spent up to now is 397.5 secs Computing kpt #: 323 total cpu time spent up to now is 398.6 secs Computing kpt #: 324 total cpu time spent up to now is 399.7 secs Computing kpt #: 325 total cpu time spent up to now is 400.7 secs Computing kpt #: 326 total cpu time spent up to now is 401.7 secs Computing kpt #: 327 total cpu time spent up to now is 402.8 secs Computing kpt #: 328 total cpu time spent up to now is 403.8 secs Computing kpt #: 329 total cpu time spent up to now is 404.9 secs Computing kpt #: 330 total cpu time spent up to now is 405.9 secs Computing kpt #: 331 total cpu time spent up to now is 407.2 secs Computing kpt #: 332 total cpu time spent up to now is 408.6 secs Computing kpt #: 333 total cpu time spent up to now is 409.9 secs Computing kpt #: 334 total cpu time spent up to now is 411.1 secs Computing kpt #: 335 total cpu time spent up to now is 412.3 secs Computing kpt #: 336 total cpu time spent up to now is 413.5 secs Computing kpt #: 337 total cpu time spent up to now is 414.5 secs Computing kpt #: 338 total cpu time spent up to now is 415.6 secs Computing kpt #: 339 total cpu time spent up to now is 416.6 secs Computing kpt #: 340 total cpu time spent up to now is 417.6 secs Computing kpt #: 341 total cpu time spent up to now is 418.7 secs Computing kpt #: 342 total cpu time spent up to now is 419.8 secs Computing kpt #: 343 total cpu time spent up to now is 420.9 secs Computing kpt #: 344 total cpu time spent up to now is 422.1 secs Computing kpt #: 345 total cpu time spent up to now is 423.2 secs Computing kpt #: 346 total cpu time spent up to now is 424.4 secs Computing kpt #: 347 total cpu time spent up to now is 425.8 secs Computing kpt #: 348 total cpu time spent up to now is 427.4 secs Computing kpt #: 349 total cpu time spent up to now is 429.0 secs Computing kpt #: 350 total cpu time spent up to now is 430.2 secs Computing kpt #: 351 total cpu time spent up to now is 431.5 secs Computing kpt #: 352 total cpu time spent up to now is 432.7 secs Computing kpt #: 353 total cpu time spent up to now is 433.9 secs Computing kpt #: 354 total cpu time spent up to now is 435.2 secs Computing kpt #: 355 total cpu time spent up to now is 436.6 secs Computing kpt #: 356 total cpu time spent up to now is 438.5 secs Computing kpt #: 357 total cpu time spent up to now is 440.0 secs ethr = 5.56E-11, avg # of iterations = 30.0 total cpu time spent up to now is 440.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7903 PWs) bands (ev): -39.1929 -39.1929 -28.3864 -28.3864 -11.1662 -11.1662 -10.0459 -10.0459 -9.9914 -9.9914 -2.7265 -2.7265 5.5400 5.5400 5.5654 5.5654 6.7272 6.7272 7.6826 7.6826 8.5583 8.5583 10.6071 10.6071 10.6520 10.6520 k = 0.0119 0.0069-0.0000 ( 7893 PWs) bands (ev): -39.1929 -39.1929 -28.3864 -28.3864 -11.1663 -11.1663 -10.0461 -10.0461 -9.9914 -9.9914 -2.7258 -2.7258 5.5370 5.5370 5.5628 5.5628 6.7267 6.7267 7.6855 7.6855 8.5618 8.5618 10.6066 10.6066 10.6515 10.6515 k = 0.0238 0.0137-0.0000 ( 7881 PWs) bands (ev): -39.1929 -39.1929 -28.3864 -28.3864 -11.1666 -11.1666 -10.0466 -10.0466 -9.9915 -9.9915 -2.7234 -2.7234 5.5252 5.5252 5.5580 5.5580 6.7252 6.7252 7.6942 7.6942 8.5723 8.5723 10.6048 10.6048 10.6504 10.6504 k = 0.0357 0.0206-0.0000 ( 7883 PWs) bands (ev): -39.1929 -39.1929 -28.3863 -28.3863 -11.1670 -11.1670 -10.0474 -10.0474 -9.9917 -9.9917 -2.7195 -2.7195 5.5016 5.5016 5.5544 5.5544 6.7227 6.7227 7.7079 7.7079 8.5898 8.5898 10.6007 10.6007 10.6501 10.6501 k = 0.0476 0.0275-0.0000 ( 7879 PWs) bands (ev): -39.1929 -39.1929 -28.3863 -28.3863 -11.1675 -11.1675 -10.0486 -10.0486 -9.9918 -9.9918 -2.7141 -2.7141 5.4670 5.4670 5.5520 5.5520 6.7192 6.7192 7.7259 7.7259 8.6140 8.6140 10.5935 10.5935 10.6519 10.6519 k = 0.0595 0.0344-0.0000 ( 7881 PWs) bands (ev): -39.1929 -39.1929 -28.3862 -28.3862 -11.1683 -11.1683 -10.0500 -10.0500 -9.9921 -9.9921 -2.7072 -2.7072 5.4233 5.4233 5.5500 5.5500 6.7148 6.7148 7.7472 7.7472 8.6448 8.6448 10.5835 10.5835 10.6564 10.6564 k = 0.0714 0.0412-0.0000 ( 7887 PWs) bands (ev): -39.1929 -39.1929 -28.3861 -28.3861 -11.1691 -11.1691 -10.0518 -10.0518 -9.9923 -9.9923 -2.6988 -2.6988 5.3719 5.3719 5.5479 5.5479 6.7096 6.7096 7.7708 7.7708 8.6817 8.6817 10.5714 10.5714 10.6636 10.6636 k = 0.0833 0.0481-0.0000 ( 7887 PWs) bands (ev): -39.1928 -39.1928 -28.3859 -28.3859 -11.1702 -11.1702 -10.0540 -10.0540 -9.9926 -9.9926 -2.6890 -2.6890 5.3140 5.3140 5.5457 5.5457 6.7035 6.7035 7.7956 7.7956 8.7243 8.7243 10.5587 10.5587 10.6732 10.6732 k = 0.0952 0.0550-0.0000 ( 7879 PWs) bands (ev): -39.1928 -39.1928 -28.3858 -28.3858 -11.1714 -11.1714 -10.0564 -10.0564 -9.9929 -9.9929 -2.6777 -2.6777 5.2507 5.2507 5.5433 5.5433 6.6966 6.6966 7.8206 7.8206 8.7719 8.7719 10.5466 10.5466 10.6851 10.6851 k = 0.1071 0.0619-0.0000 ( 7873 PWs) bands (ev): -39.1928 -39.1928 -28.3856 -28.3856 -11.1727 -11.1727 -10.0591 -10.0591 -9.9932 -9.9932 -2.6652 -2.6652 5.1830 5.1830 5.5406 5.5406 6.6890 6.6890 7.8452 7.8452 8.8239 8.8239 10.5363 10.5363 10.6993 10.6993 k = 0.1190 0.0687-0.0000 ( 7885 PWs) bands (ev): -39.1928 -39.1928 -28.3854 -28.3854 -11.1741 -11.1741 -10.0621 -10.0621 -9.9935 -9.9935 -2.6513 -2.6513 5.1118 5.1118 5.5377 5.5377 6.6808 6.6808 7.8686 7.8686 8.8794 8.8794 10.5291 10.5291 10.7156 10.7156 k = 0.1310 0.0756-0.0000 ( 7881 PWs) bands (ev): -39.1928 -39.1928 -28.3852 -28.3852 -11.1757 -11.1757 -10.0653 -10.0653 -9.9938 -9.9938 -2.6362 -2.6362 5.0379 5.0379 5.5345 5.5345 6.6720 6.6720 7.8901 7.8901 8.9375 8.9375 10.5261 10.5261 10.7341 10.7341 k = 0.1429 0.0825-0.0000 ( 7873 PWs) bands (ev): -39.1928 -39.1928 -28.3850 -28.3850 -11.1774 -11.1774 -10.0688 -10.0688 -9.9941 -9.9941 -2.6200 -2.6200 4.9620 4.9620 5.5311 5.5311 6.6627 6.6627 7.9095 7.9095 8.9977 8.9977 10.5283 10.5283 10.7549 10.7549 k = 0.1548 0.0894-0.0000 ( 7881 PWs) bands (ev): -39.1928 -39.1928 -28.3847 -28.3847 -11.1792 -11.1792 -10.0725 -10.0725 -9.9945 -9.9945 -2.6027 -2.6027 4.8848 4.8848 5.5274 5.5274 6.6530 6.6530 7.9261 7.9261 9.0590 9.0590 10.5366 10.5366 10.7780 10.7780 k = 0.1667 0.0962-0.0000 ( 7893 PWs) bands (ev): -39.1928 -39.1928 -28.3845 -28.3845 -11.1811 -11.1811 -10.0764 -10.0764 -9.9948 -9.9948 -2.5843 -2.5843 4.8067 4.8067 5.5235 5.5235 6.6430 6.6430 7.9398 7.9398 9.1211 9.1211 10.5517 10.5517 10.8033 10.8033 k = 0.1786 0.1031-0.0000 ( 7889 PWs) bands (ev): -39.1928 -39.1928 -28.3842 -28.3842 -11.1831 -11.1831 -10.0805 -10.0805 -9.9950 -9.9950 -2.5651 -2.5651 4.7282 4.7282 5.5194 5.5194 6.6327 6.6327 7.9501 7.9501 9.1836 9.1836 10.5738 10.5738 10.8309 10.8309 k = 0.1905 0.1100-0.0000 ( 7889 PWs) bands (ev): -39.1928 -39.1928 -28.3840 -28.3840 -11.1852 -11.1852 -10.0848 -10.0848 -9.9953 -9.9953 -2.5450 -2.5450 4.6498 4.6498 5.5151 5.5151 6.6222 6.6222 7.9570 7.9570 9.2464 9.2464 10.6033 10.6033 10.8608 10.8608 k = 0.2024 0.1168-0.0000 ( 7885 PWs) bands (ev): -39.1928 -39.1928 -28.3837 -28.3837 -11.1874 -11.1874 -10.0891 -10.0891 -9.9956 -9.9956 -2.5242 -2.5242 4.5718 4.5718 5.5106 5.5106 6.6117 6.6117 7.9602 7.9602 9.3095 9.3095 10.6398 10.6398 10.8929 10.8929 k = 0.2143 0.1237-0.0000 ( 7893 PWs) bands (ev): -39.1928 -39.1928 -28.3834 -28.3834 -11.1896 -11.1896 -10.0936 -10.0936 -9.9958 -9.9958 -2.5028 -2.5028 4.4946 4.4946 5.5059 5.5059 6.6010 6.6010 7.9597 7.9597 9.3734 9.3734 10.6828 10.6828 10.9273 10.9273 k = 0.2262 0.1306-0.0000 ( 7901 PWs) bands (ev): -39.1928 -39.1928 -28.3831 -28.3831 -11.1918 -11.1918 -10.0981 -10.0981 -9.9960 -9.9960 -2.4809 -2.4809 4.4185 4.4185 5.5011 5.5011 6.5904 6.5904 7.9556 7.9556 9.4383 9.4383 10.7317 10.7317 10.9637 10.9637 k = 0.2381 0.1375-0.0000 ( 7891 PWs) bands (ev): -39.1928 -39.1928 -28.3829 -28.3829 -11.1941 -11.1941 -10.1027 -10.1027 -9.9963 -9.9963 -2.4586 -2.4586 4.3437 4.3437 5.4962 5.4962 6.5799 6.5799 7.9481 7.9481 9.5047 9.5047 10.7856 10.7856 11.0023 11.0023 k = 0.2500 0.1443-0.0000 ( 7891 PWs) bands (ev): -39.1928 -39.1928 -28.3826 -28.3826 -11.1965 -11.1965 -10.1072 -10.1072 -9.9965 -9.9965 -2.4360 -2.4360 4.2706 4.2706 5.4912 5.4912 6.5695 6.5695 7.9374 7.9374 9.5730 9.5730 10.8436 10.8436 11.0428 11.0428 k = 0.2619 0.1512-0.0000 ( 7895 PWs) bands (ev): -39.1927 -39.1927 -28.3823 -28.3823 -11.1988 -11.1988 -10.1118 -10.1118 -9.9966 -9.9966 -2.4132 -2.4132 4.1992 4.1992 5.4862 5.4862 6.5594 6.5594 7.9239 7.9239 9.6437 9.6437 10.9044 10.9044 11.0850 11.0850 k = 0.2738 0.1581-0.0000 ( 7903 PWs) bands (ev): -39.1927 -39.1927 -28.3820 -28.3820 -11.2011 -11.2011 -10.1163 -10.1163 -9.9968 -9.9968 -2.3903 -2.3903 4.1299 4.1299 5.4812 5.4812 6.5494 6.5494 7.9078 7.9078 9.7170 9.7170 10.9673 10.9673 11.1289 11.1289 k = 0.2857 0.1650-0.0000 ( 7903 PWs) bands (ev): -39.1927 -39.1927 -28.3817 -28.3817 -11.2034 -11.2034 -10.1208 -10.1208 -9.9970 -9.9970 -2.3676 -2.3676 4.0628 4.0628 5.4761 5.4761 6.5398 6.5398 7.8897 7.8897 9.7933 9.7933 11.0311 11.0311 11.1742 11.1742 k = 0.2976 0.1718-0.0000 ( 7895 PWs) bands (ev): -39.1927 -39.1927 -28.3814 -28.3814 -11.2057 -11.2057 -10.1251 -10.1251 -9.9971 -9.9971 -2.3451 -2.3451 3.9982 3.9982 5.4711 5.4711 6.5306 6.5306 7.8700 7.8700 9.8726 9.8726 11.0949 11.0949 11.2206 11.2206 k = 0.3095 0.1787-0.0000 ( 7891 PWs) bands (ev): -39.1927 -39.1927 -28.3812 -28.3812 -11.2080 -11.2080 -10.1294 -10.1294 -9.9973 -9.9973 -2.3229 -2.3229 3.9362 3.9362 5.4662 5.4662 6.5217 6.5217 7.8491 7.8491 9.9549 9.9549 11.1579 11.1579 11.2678 11.2678 k = 0.3214 0.1856-0.0000 ( 7881 PWs) bands (ev): -39.1927 -39.1927 -28.3809 -28.3809 -11.2102 -11.2102 -10.1335 -10.1335 -9.9974 -9.9974 -2.3011 -2.3011 3.8769 3.8769 5.4614 5.4614 6.5132 6.5132 7.8275 7.8275 10.0403 10.0403 11.2194 11.2194 11.3153 11.3153 k = 0.3333 0.1925-0.0000 ( 7889 PWs) bands (ev): -39.1927 -39.1927 -28.3806 -28.3806 -11.2123 -11.2123 -10.1374 -10.1374 -9.9975 -9.9975 -2.2800 -2.2800 3.8207 3.8207 5.4567 5.4567 6.5052 6.5052 7.8055 7.8055 10.1285 10.1285 11.2785 11.2785 11.3608 11.3608 k = 0.3452 0.1993-0.0000 ( 7891 PWs) bands (ev): -39.1927 -39.1927 -28.3804 -28.3804 -11.2143 -11.2143 -10.1412 -10.1412 -9.9976 -9.9976 -2.2596 -2.2596 3.7675 3.7675 5.4522 5.4522 6.4977 6.4977 7.7835 7.7835 10.2195 10.2195 11.3302 11.3302 11.3486 11.3486 k = 0.3571 0.2062-0.0000 ( 7891 PWs) bands (ev): -39.1927 -39.1927 -28.3802 -28.3802 -11.2163 -11.2163 -10.1447 -10.1447 -9.9977 -9.9977 -2.2401 -2.2401 3.7176 3.7176 5.4479 5.4479 6.4906 6.4906 7.7619 7.7619 10.3128 10.3128 11.3001 11.3001 11.3673 11.3673 k = 0.3690 0.2131-0.0000 ( 7889 PWs) bands (ev): -39.1927 -39.1927 -28.3799 -28.3799 -11.2181 -11.2181 -10.1481 -10.1481 -9.9977 -9.9977 -2.2216 -2.2216 3.6711 3.6711 5.4438 5.4438 6.4841 6.4841 7.7410 7.7410 10.4081 10.4081 11.2602 11.2602 11.3512 11.3512 k = 0.3810 0.2199-0.0000 ( 7897 PWs) bands (ev): -39.1927 -39.1927 -28.3797 -28.3797 -11.2198 -11.2198 -10.1512 -10.1512 -9.9978 -9.9978 -2.2043 -2.2043 3.6281 3.6281 5.4399 5.4399 6.4781 6.4781 7.7210 7.7210 10.5050 10.5050 11.2226 11.2226 11.3359 11.3359 k = 0.3929 0.2268-0.0000 ( 7911 PWs) bands (ev): -39.1927 -39.1927 -28.3795 -28.3795 -11.2214 -11.2214 -10.1540 -10.1540 -9.9979 -9.9979 -2.1881 -2.1881 3.5888 3.5888 5.4364 5.4364 6.4726 6.4726 7.7022 7.7022 10.6026 10.6026 11.1880 11.1880 11.3218 11.3218 k = 0.4048 0.2337-0.0000 ( 7911 PWs) bands (ev): -39.1927 -39.1927 -28.3794 -28.3794 -11.2228 -11.2228 -10.1566 -10.1566 -9.9979 -9.9979 -2.1733 -2.1733 3.5533 3.5533 5.4331 5.4331 6.4677 6.4677 7.6849 7.6849 10.7003 10.7003 11.1564 11.1564 11.3091 11.3091 k = 0.4167 0.2406-0.0000 ( 7895 PWs) bands (ev): -39.1927 -39.1927 -28.3792 -28.3792 -11.2242 -11.2242 -10.1589 -10.1589 -9.9980 -9.9980 -2.1600 -2.1600 3.5217 3.5217 5.4302 5.4302 6.4634 6.4634 7.6692 7.6692 10.7968 10.7968 11.1283 11.1283 11.2978 11.2978 k = 0.4286 0.2474-0.0000 ( 7894 PWs) bands (ev): -39.1927 -39.1927 -28.3791 -28.3791 -11.2253 -11.2253 -10.1610 -10.1610 -9.9980 -9.9980 -2.1483 -2.1483 3.4941 3.4941 5.4276 5.4276 6.4596 6.4596 7.6553 7.6553 10.8907 10.8907 11.1038 11.1038 11.2879 11.2879 k = 0.4405 0.2543-0.0000 ( 7898 PWs) bands (ev): -39.1927 -39.1927 -28.3790 -28.3790 -11.2263 -11.2263 -10.1627 -10.1627 -9.9980 -9.9980 -2.1382 -2.1382 3.4706 3.4706 5.4254 5.4254 6.4564 6.4564 7.6433 7.6433 10.9794 10.9794 11.0834 11.0834 11.2796 11.2796 k = 0.4524 0.2612-0.0000 ( 7898 PWs) bands (ev): -39.1927 -39.1927 -28.3789 -28.3789 -11.2271 -11.2271 -10.1641 -10.1641 -9.9981 -9.9981 -2.1298 -2.1298 3.4512 3.4512 5.4236 5.4236 6.4538 6.4538 7.6333 7.6333 11.0513 11.0513 11.0765 11.0765 11.2728 11.2728 k = 0.4643 0.2681-0.0000 ( 7900 PWs) bands (ev): -39.1927 -39.1927 -28.3788 -28.3788 -11.2277 -11.2277 -10.1653 -10.1653 -9.9981 -9.9981 -2.1232 -2.1232 3.4361 3.4361 5.4221 5.4221 6.4517 6.4517 7.6254 7.6254 11.0489 11.0489 11.1369 11.1369 11.2678 11.2678 k = 0.4762 0.2749-0.0000 ( 7898 PWs) bands (ev): -39.1926 -39.1926 -28.3787 -28.3787 -11.2282 -11.2282 -10.1661 -10.1661 -9.9981 -9.9981 -2.1185 -2.1185 3.4253 3.4253 5.4211 5.4211 6.4503 6.4503 7.6198 7.6198 11.0399 11.0399 11.1923 11.1923 11.2647 11.2647 k = 0.4881 0.2818-0.0000 ( 7898 PWs) bands (ev): -39.1926 -39.1926 -28.3787 -28.3787 -11.2285 -11.2285 -10.1665 -10.1665 -9.9981 -9.9981 -2.1156 -2.1156 3.4187 3.4187 5.4205 5.4205 6.4494 6.4494 7.6164 7.6164 11.0342 11.0342 11.2272 11.2272 11.2645 11.2645 k = 0.5000 0.2887-0.0000 ( 7894 PWs) bands (ev): -39.1926 -39.1926 -28.3787 -28.3787 -11.2286 -11.2286 -10.1667 -10.1667 -9.9981 -9.9981 -2.1146 -2.1146 3.4166 3.4166 5.4203 5.4203 6.4491 6.4491 7.6152 7.6152 11.0323 11.0323 11.2380 11.2380 11.2658 11.2658 k = 0.5000 0.2887-0.0000 ( 7894 PWs) bands (ev): -39.1926 -39.1926 -28.3787 -28.3787 -11.2286 -11.2286 -10.1667 -10.1667 -9.9981 -9.9981 -2.1146 -2.1146 3.4166 3.4166 5.4203 5.4203 6.4491 6.4491 7.6152 7.6152 11.0323 11.0323 11.2380 11.2380 11.2658 11.2658 k = 0.4931 0.3007-0.0000 ( 7896 PWs) bands (ev): -39.1926 -39.1926 -28.3787 -28.3787 -11.2292 -11.2280 -10.1678 -10.1656 -9.9984 -9.9979 -2.1154 -2.1132 3.4167 3.4179 5.4130 5.4169 6.4493 6.4495 7.6211 7.6231 10.9795 10.9884 11.2341 11.2350 11.3070 11.3189 k = 0.4861 0.3127-0.0000 ( 7900 PWs) bands (ev): -39.1926 -39.1926 -28.3787 -28.3787 -11.2298 -11.2274 -10.1690 -10.1646 -9.9988 -9.9978 -2.1155 -2.1111 3.4183 3.4208 5.3954 5.4032 6.4501 6.4504 7.6406 7.6445 10.8854 10.8967 11.2112 11.2127 11.4079 11.4210 k = 0.4792 0.3248-0.0000 ( 7912 PWs) bands (ev): -39.1927 -39.1927 -28.3787 -28.3787 -11.2305 -11.2270 -10.1703 -10.1636 -9.9994 -9.9978 -2.1149 -2.1084 3.4214 3.4251 5.3682 5.3797 6.4515 6.4520 7.6730 7.6787 10.7839 10.7959 11.1736 11.1759 11.5243 11.5369 k = 0.4722 0.3368-0.0000 ( 7914 PWs) bands (ev): -39.1927 -39.1927 -28.3786 -28.3786 -11.2312 -11.2265 -10.1715 -10.1627 -10.0000 -9.9979 -2.1137 -2.1051 3.4259 3.4308 5.3325 5.3473 6.4534 6.4541 7.7173 7.7246 10.6825 10.6948 11.1248 11.1267 11.5973 11.6162 k = 0.4653 0.3488-0.0000 ( 7920 PWs) bands (ev): -39.1927 -39.1927 -28.3786 -28.3786 -11.2319 -11.2261 -10.1728 -10.1619 -10.0007 -9.9981 -2.1119 -2.1012 3.4318 3.4379 5.2894 5.3074 6.4558 6.4567 7.7725 7.7811 10.5834 10.5959 11.0673 11.0683 11.5799 11.5946 k = 0.4583 0.3608-0.0000 ( 7912 PWs) bands (ev): -39.1927 -39.1927 -28.3786 -28.3786 -11.2327 -11.2257 -10.1742 -10.1611 -10.0015 -9.9983 -2.1095 -2.0968 3.4391 3.4464 5.2403 5.2611 6.4587 6.4598 7.8372 7.8469 10.4875 10.5002 11.0037 11.0037 11.5597 11.5688 k = 0.4514 0.3729-0.0000 ( 7922 PWs) bands (ev): -39.1927 -39.1927 -28.3785 -28.3785 -11.2334 -11.2254 -10.1756 -10.1604 -10.0023 -9.9987 -2.1066 -2.0919 3.4477 3.4560 5.1866 5.2099 6.4621 6.4633 7.9101 7.9207 10.3954 10.4081 10.9350 10.9360 11.5352 11.5388 k = 0.4444 0.3849-0.0000 ( 7914 PWs) bands (ev): -39.1926 -39.1926 -28.3785 -28.3785 -11.2342 -11.2251 -10.1769 -10.1597 -10.0032 -9.9990 -2.1031 -2.0865 3.4575 3.4669 5.1294 5.1550 6.4658 6.4672 7.9899 8.0012 10.3074 10.3201 10.8642 10.8660 11.5036 11.5049 k = 0.4375 0.3969-0.0000 ( 7902 PWs) bands (ev): -39.1926 -39.1926 -28.3784 -28.3784 -11.2349 -11.2249 -10.1783 -10.1592 -10.0042 -9.9994 -2.0993 -2.0808 3.4684 3.4788 5.0699 5.0976 6.4698 6.4714 8.0755 8.0874 10.2237 10.2365 10.7924 10.7949 11.4625 11.4680 k = 0.4306 0.4090-0.0000 ( 7910 PWs) bands (ev): -39.1926 -39.1926 -28.3784 -28.3784 -11.2357 -11.2247 -10.1797 -10.1587 -10.0052 -9.9999 -2.0950 -2.0748 3.4803 3.4916 5.0092 5.0387 6.4741 6.4758 8.1658 8.1782 10.1445 10.1573 10.7206 10.7236 11.4156 11.4246 k = 0.4236 0.4210-0.0000 ( 7906 PWs) bands (ev): -39.1926 -39.1926 -28.3783 -28.3783 -11.2365 -11.2246 -10.1811 -10.1582 -10.0062 -10.0004 -2.0905 -2.0686 3.4930 3.5051 4.9482 4.9794 6.4785 6.4804 8.2598 8.2727 10.0700 10.0829 10.6497 10.6529 11.3632 11.3750 k = 0.4167 0.4330-0.0000 ( 7904 PWs) bands (ev): -39.1926 -39.1926 -28.3783 -28.3783 -11.2372 -11.2245 -10.1825 -10.1579 -10.0071 -10.0009 -2.0857 -2.0622 3.5064 3.5193 4.8878 4.9205 6.4830 6.4850 8.3566 8.3699 10.0004 10.0134 10.5803 10.5836 11.3061 11.3201 k = 0.4097 0.4450-0.0000 ( 7900 PWs) bands (ev): -39.1926 -39.1926 -28.3782 -28.3782 -11.2379 -11.2244 -10.1839 -10.1576 -10.0081 -10.0013 -2.0808 -2.0558 3.5202 3.5339 4.8288 4.8628 6.4875 6.4897 8.4552 8.4691 9.9358 9.9489 10.5130 10.5163 11.2451 11.2609 k = 0.4028 0.4571-0.0000 ( 7896 PWs) bands (ev): -39.1926 -39.1926 -28.3781 -28.3781 -11.2387 -11.2244 -10.1852 -10.1574 -10.0091 -10.0018 -2.0758 -2.0494 3.5343 3.5485 4.7719 4.8072 6.4919 6.4942 8.5546 8.5691 9.8765 9.8896 10.4483 10.4514 11.1810 11.1984 k = 0.3958 0.4691-0.0000 ( 7896 PWs) bands (ev): -39.1926 -39.1926 -28.3781 -28.3781 -11.2393 -11.2244 -10.1864 -10.1573 -10.0099 -10.0023 -2.0709 -2.0432 3.5483 3.5631 4.7178 4.7543 6.4961 6.4986 8.6539 8.6692 9.8224 9.8356 10.3870 10.3896 11.1150 11.1336 k = 0.3889 0.4811-0.0000 ( 7892 PWs) bands (ev): -39.1926 -39.1926 -28.3780 -28.3780 -11.2400 -11.2244 -10.1876 -10.1572 -10.0108 -10.0027 -2.0660 -2.0372 3.5620 3.5772 4.6673 4.7048 6.5001 6.5027 8.7517 8.7679 9.7737 9.7870 10.3298 10.3317 11.0478 11.0675 k = 0.3819 0.4932-0.0000 ( 7880 PWs) bands (ev): -39.1926 -39.1926 -28.3779 -28.3779 -11.2406 -11.2245 -10.1887 -10.1572 -10.0115 -10.0031 -2.0614 -2.0316 3.5749 3.5906 4.6210 4.6595 6.5038 6.5065 8.8465 8.8639 9.7306 9.7440 10.2776 10.2786 10.9807 11.0013 k = 0.3750 0.5052-0.0000 ( 7878 PWs) bands (ev): -39.1926 -39.1926 -28.3779 -28.3779 -11.2411 -11.2245 -10.1897 -10.1572 -10.0122 -10.0034 -2.0571 -2.0264 3.5869 3.6028 4.5796 4.6188 6.5071 6.5099 8.9364 8.9553 9.6931 9.7066 10.2314 10.2315 10.9147 10.9362 k = 0.3681 0.5172-0.0000 ( 7878 PWs) bands (ev): -39.1926 -39.1926 -28.3779 -28.3778 -11.2416 -11.2246 -10.1906 -10.1573 -10.0127 -10.0037 -2.0532 -2.0217 3.5974 3.6136 4.5436 4.5836 6.5099 6.5128 9.0191 9.0397 9.6613 9.6749 10.1915 10.1929 10.8511 10.8735 k = 0.3611 0.5292-0.0000 ( 7872 PWs) bands (ev): -39.1926 -39.1926 -28.3778 -28.3778 -11.2420 -11.2247 -10.1914 -10.1574 -10.0132 -10.0039 -2.0497 -2.0177 3.6063 3.6226 4.5136 4.5542 6.5122 6.5152 9.0917 9.1142 9.6352 9.6489 10.1605 10.1632 10.7917 10.8149 k = 0.3542 0.5413-0.0000 ( 7876 PWs) bands (ev): -39.1926 -39.1926 -28.3778 -28.3778 -11.2423 -11.2248 -10.1920 -10.1575 -10.0136 -10.0041 -2.0469 -2.0144 3.6132 3.6296 4.4900 4.5311 6.5140 6.5171 9.1512 9.1754 9.6150 9.6287 10.1396 10.1437 10.7386 10.7627 k = 0.3472 0.5533-0.0000 ( 7872 PWs) bands (ev): -39.1926 -39.1926 -28.3778 -28.3778 -11.2425 -11.2249 -10.1924 -10.1575 -10.0138 -10.0042 -2.0448 -2.0119 3.6180 3.6344 4.4731 4.5145 6.5153 6.5184 9.1946 9.2205 9.6005 9.6144 10.1292 10.1342 10.6950 10.7199 k = 0.3403 0.5653-0.0000 ( 7868 PWs) bands (ev): -39.1926 -39.1926 -28.3777 -28.3777 -11.2427 -11.2249 -10.1927 -10.1576 -10.0140 -10.0043 -2.0435 -2.0104 3.6207 3.6372 4.4630 4.5047 6.5161 6.5192 9.2204 9.2473 9.5918 9.6058 10.1268 10.1324 10.6650 10.6906 k = 0.3333 0.5774-0.0000 ( 7866 PWs) bands (ev): -39.1926 -39.1926 -28.3777 -28.3777 -11.2427 -11.2249 -10.1928 -10.1576 -10.0140 -10.0043 -2.0430 -2.0099 3.6215 3.6381 4.4597 4.5015 6.5163 6.5194 9.2287 9.2559 9.5889 9.6029 10.1275 10.1332 10.6539 10.6798 k = 0.3333 0.5774-0.0000 ( 7866 PWs) bands (ev): -39.1926 -39.1926 -28.3777 -28.3777 -11.2427 -11.2249 -10.1928 -10.1576 -10.0140 -10.0043 -2.0430 -2.0099 3.6215 3.6381 4.4597 4.5015 6.5163 6.5194 9.2287 9.2559 9.5889 9.6029 10.1275 10.1332 10.6539 10.6798 k = 0.3264 0.5653-0.0000 ( 7866 PWs) bands (ev): -39.1926 -39.1926 -28.3777 -28.3777 -11.2427 -11.2249 -10.1927 -10.1576 -10.0140 -10.0043 -2.0435 -2.0104 3.6208 3.6373 4.4629 4.5046 6.5161 6.5192 9.2212 9.2481 9.5918 9.6058 10.1248 10.1305 10.6661 10.6917 k = 0.3194 0.5533-0.0000 ( 7872 PWs) bands (ev): -39.1926 -39.1926 -28.3778 -28.3778 -11.2425 -11.2248 -10.1924 -10.1575 -10.0138 -10.0042 -2.0450 -2.0121 3.6191 3.6356 4.4722 4.5136 6.5154 6.5185 9.2008 9.2270 9.6003 9.6142 10.1143 10.1202 10.7030 10.7274 k = 0.3125 0.5413-0.0000 ( 7881 PWs) bands (ev): -39.1926 -39.1926 -28.3778 -28.3778 -11.2422 -11.2247 -10.1919 -10.1573 -10.0136 -10.0041 -2.0476 -2.0151 3.6169 3.6332 4.4869 4.5281 6.5144 6.5174 9.1703 9.1954 9.6143 9.6281 10.0958 10.1019 10.7614 10.7843 k = 0.3056 0.5292-0.0000 ( 7881 PWs) bands (ev): -39.1926 -39.1926 -28.3778 -28.3778 -11.2418 -11.2245 -10.1911 -10.1570 -10.0133 -10.0040 -2.0514 -2.0193 3.6149 3.6310 4.5066 4.5475 6.5131 6.5161 9.1321 9.1561 9.6337 9.6474 10.0715 10.0779 10.8360 10.8571 k = 0.2986 0.5172-0.0000 ( 7885 PWs) bands (ev): -39.1926 -39.1926 -28.3779 -28.3779 -11.2413 -11.2243 -10.1901 -10.1566 -10.0129 -10.0038 -2.0563 -2.0248 3.6136 3.6294 4.5306 4.5711 6.5115 6.5144 9.0884 9.1111 9.6583 9.6720 10.0444 10.0507 10.9211 10.9405 k = 0.2917 0.5052-0.0000 ( 7869 PWs) bands (ev): -39.1926 -39.1926 -28.3780 -28.3780 -11.2406 -11.2239 -10.1888 -10.1560 -10.0124 -10.0035 -2.0625 -2.0316 3.6136 3.6291 4.5584 4.5984 6.5099 6.5127 9.0406 9.0620 9.6880 9.7016 10.0167 10.0227 11.0120 11.0297 k = 0.2847 0.4932-0.0000 ( 7877 PWs) bands (ev): -39.1926 -39.1926 -28.3780 -28.3780 -11.2398 -11.2235 -10.1874 -10.1554 -10.0119 -10.0032 -2.0699 -2.0399 3.6154 3.6304 4.5894 4.6289 6.5082 6.5109 8.9899 9.0101 9.7226 9.7361 9.9899 9.9954 11.1044 11.1204 k = 0.2778 0.4811-0.0000 ( 7879 PWs) bands (ev): -39.1926 -39.1926 -28.3781 -28.3781 -11.2388 -11.2230 -10.1856 -10.1545 -10.0113 -10.0030 -2.0787 -2.0495 3.6195 3.6339 4.6231 4.6621 6.5065 6.5092 8.9372 8.9562 9.7619 9.7753 9.9651 9.9699 11.1944 11.2084 k = 0.2708 0.4691-0.0000 ( 7885 PWs) bands (ev): -39.1926 -39.1926 -28.3783 -28.3783 -11.2377 -11.2224 -10.1836 -10.1535 -10.0107 -10.0026 -2.0887 -2.0604 3.6261 3.6399 4.6591 4.6975 6.5051 6.5076 8.8833 8.9011 9.8057 9.8189 9.9430 9.9468 11.2775 11.2886 k = 0.2639 0.4571-0.0000 ( 7881 PWs) bands (ev): -39.1926 -39.1926 -28.3784 -28.3784 -11.2365 -11.2217 -10.1813 -10.1523 -10.0101 -10.0023 -2.0999 -2.0728 3.6355 3.6487 4.6970 4.7348 6.5038 6.5062 8.8289 8.8454 9.8535 9.8660 9.9246 9.9269 11.3475 11.3543 k = 0.2569 0.4450-0.0000 ( 7887 PWs) bands (ev): -39.1926 -39.1926 -28.3785 -28.3785 -11.2351 -11.2209 -10.1788 -10.1509 -10.0094 -10.0019 -2.1125 -2.0864 3.6481 3.6604 4.7364 4.7735 6.5029 6.5052 8.7743 8.7898 9.8990 9.9003 9.9164 9.9264 11.3956 11.3956 k = 0.2500 0.4330-0.0000 ( 7895 PWs) bands (ev): -39.1926 -39.1926 -28.3787 -28.3787 -11.2336 -11.2199 -10.1761 -10.1493 -10.0087 -10.0016 -2.1262 -2.1013 3.6639 3.6754 4.7769 4.8134 6.5025 6.5046 8.7202 8.7345 9.8916 9.8930 9.9645 9.9783 11.4004 11.4099 k = 0.2431 0.4210-0.0000 ( 7899 PWs) bands (ev): -39.1927 -39.1927 -28.3789 -28.3789 -11.2320 -11.2189 -10.1731 -10.1475 -10.0080 -10.0012 -2.1412 -2.1175 3.6831 3.6938 4.8184 4.8541 6.5025 6.5045 8.6668 8.6801 9.8822 9.8824 10.0241 10.0378 11.3618 11.3811 k = 0.2361 0.4090-0.0000 ( 7907 PWs) bands (ev): -39.1927 -39.1927 -28.3791 -28.3791 -11.2302 -11.2177 -10.1699 -10.1455 -10.0073 -10.0008 -2.1573 -2.1349 3.7058 3.7156 4.8604 4.8954 6.5030 6.5049 8.6145 8.6268 9.8745 9.8756 10.0875 10.1012 11.2864 11.3122 k = 0.2292 0.3969-0.0000 ( 7903 PWs) bands (ev): -39.1927 -39.1927 -28.3793 -28.3793 -11.2283 -11.2165 -10.1664 -10.1433 -10.0065 -10.0005 -2.1744 -2.1533 3.7320 3.7409 4.9027 4.9369 6.5042 6.5060 8.5636 8.5750 9.8694 9.8719 10.1543 10.1680 11.1874 11.2161 k = 0.2222 0.3849-0.0000 ( 7891 PWs) bands (ev): -39.1927 -39.1927 -28.3795 -28.3795 -11.2262 -11.2151 -10.1627 -10.1409 -10.0058 -10.0001 -2.1926 -2.1728 3.7618 3.7697 4.9450 4.9784 6.5061 6.5077 8.5143 8.5248 9.8672 9.8712 10.2241 10.2378 11.0760 11.1052 k = 0.2153 0.3729-0.0000 ( 7887 PWs) bands (ev): -39.1927 -39.1927 -28.3797 -28.3797 -11.2241 -11.2137 -10.1588 -10.1383 -10.0051 -9.9997 -2.2117 -2.1932 3.7952 3.8022 4.9871 5.0197 6.5086 6.5100 8.4669 8.4766 9.8676 9.8731 10.2967 10.3104 10.9589 10.9872 k = 0.2083 0.3608-0.0000 ( 7883 PWs) bands (ev): -39.1927 -39.1927 -28.3800 -28.3800 -11.2219 -11.2121 -10.1547 -10.1356 -10.0044 -9.9993 -2.2317 -2.2144 3.8321 3.8381 5.0288 5.0604 6.5118 6.5131 8.4216 8.4305 9.8704 9.8774 10.3717 10.3855 10.8399 10.8668 k = 0.2014 0.3488-0.0000 ( 7885 PWs) bands (ev): -39.1927 -39.1927 -28.3802 -28.3802 -11.2195 -11.2104 -10.1505 -10.1326 -10.0037 -9.9990 -2.2524 -2.2364 3.8725 3.8776 5.0697 5.1005 6.5158 6.5170 8.3785 8.3866 9.8751 9.8838 10.4490 10.4629 10.7216 10.7466 k = 0.1944 0.3368-0.0000 ( 7885 PWs) bands (ev): -39.1927 -39.1927 -28.3805 -28.3805 -11.2171 -11.2087 -10.1460 -10.1294 -10.0030 -9.9986 -2.2738 -2.2591 3.9163 3.9205 5.1097 5.1395 6.5205 6.5215 8.3377 8.3450 9.8810 9.8917 10.5282 10.5421 10.6058 10.6287 k = 0.1875 0.3248-0.0000 ( 7885 PWs) bands (ev): -39.1927 -39.1927 -28.3807 -28.3807 -11.2146 -11.2069 -10.1414 -10.1261 -10.0023 -9.9983 -2.2957 -2.2822 3.9634 3.9668 5.1486 5.1773 6.5259 6.5268 8.2993 8.3059 9.8873 9.9000 10.4941 10.5147 10.6090 10.6230 k = 0.1806 0.3127-0.0000 ( 7881 PWs) bands (ev): -39.1927 -39.1927 -28.3810 -28.3810 -11.2121 -11.2050 -10.1367 -10.1227 -10.0017 -9.9980 -2.3181 -2.3058 4.0139 4.0163 5.1861 5.2138 6.5321 6.5328 8.2632 8.2693 9.8919 9.9070 10.3892 10.4070 10.6910 10.7051 k = 0.1736 0.3007-0.0000 ( 7891 PWs) bands (ev): -39.1927 -39.1927 -28.3813 -28.3813 -11.2095 -11.2030 -10.1319 -10.1190 -10.0011 -9.9976 -2.3409 -2.3297 4.0674 4.0690 5.2221 5.2487 6.5389 6.5395 8.2296 8.2350 9.8914 9.9093 10.2947 10.3095 10.7738 10.7880 k = 0.1667 0.2887-0.0000 ( 7893 PWs) bands (ev): -39.1927 -39.1927 -28.3816 -28.3816 -11.2069 -11.2010 -10.1270 -10.1153 -10.0004 -9.9973 -2.3639 -2.3538 4.1240 4.1248 5.2564 5.2818 6.5463 6.5468 8.1983 8.2032 9.8794 9.8999 10.2171 10.2290 10.8570 10.8713 k = 0.1597 0.2766-0.0000 ( 7893 PWs) bands (ev): -39.1927 -39.1927 -28.3819 -28.3819 -11.2043 -11.1990 -10.1220 -10.1114 -9.9999 -9.9970 -2.3870 -2.3779 4.1834 4.1834 5.2888 5.3131 6.5543 6.5547 8.1692 8.1736 9.8473 9.8692 10.1650 10.1754 10.9402 10.9547 k = 0.1528 0.2646-0.0000 ( 7897 PWs) bands (ev): -39.1927 -39.1927 -28.3822 -28.3822 -11.2017 -11.1969 -10.1170 -10.1075 -9.9993 -9.9967 -2.4101 -2.4020 4.2449 4.2455 5.3193 5.3423 6.5629 6.5632 8.1421 8.1460 9.7920 9.8130 10.1417 10.1528 11.0229 11.0375 k = 0.1458 0.2526-0.0000 ( 7895 PWs) bands (ev): -39.1928 -39.1928 -28.3825 -28.3825 -11.1990 -11.1948 -10.1119 -10.1035 -9.9987 -9.9965 -2.4331 -2.4260 4.3089 4.3102 5.3476 5.3695 6.5719 6.5722 8.1169 8.1204 9.7199 9.7387 10.1405 10.1537 11.1046 11.1193 k = 0.1389 0.2406-0.0000 ( 7899 PWs) bands (ev): -39.1928 -39.1928 -28.3828 -28.3828 -11.1964 -11.1927 -10.1069 -10.0994 -9.9982 -9.9962 -2.4559 -2.4497 4.3752 4.3772 5.3738 5.3945 6.5814 6.5815 8.0933 8.0964 9.6396 9.6560 10.1527 10.1683 11.1848 11.1994 k = 0.1319 0.2285-0.0000 ( 7891 PWs) bands (ev): -39.1928 -39.1928 -28.3831 -28.3831 -11.1939 -11.1906 -10.1019 -10.0953 -9.9977 -9.9959 -2.4784 -2.4730 4.4438 4.4463 5.3979 5.4173 6.5912 6.5912 8.0709 8.0738 9.5566 9.5706 10.1726 10.1907 11.2627 11.2769 k = 0.1250 0.2165-0.0000 ( 7893 PWs) bands (ev): -39.1928 -39.1928 -28.3834 -28.3834 -11.1914 -11.1886 -10.0970 -10.0913 -9.9972 -9.9956 -2.5005 -2.4959 4.5143 4.5173 5.4198 5.4380 6.6012 6.6012 8.0495 8.0521 9.4735 9.4854 10.1974 10.2177 11.2850 11.3231 k = 0.1181 0.2045-0.0000 ( 7889 PWs) bands (ev): -39.1928 -39.1928 -28.3837 -28.3837 -11.1889 -11.1865 -10.0921 -10.0872 -9.9967 -9.9954 -2.5221 -2.5181 4.5864 4.5899 5.4395 5.4565 6.6114 6.6114 8.0287 8.0312 9.3917 9.4016 10.2252 10.2477 11.2030 11.2412 k = 0.1111 0.1925-0.0000 ( 7897 PWs) bands (ev): -39.1928 -39.1928 -28.3839 -28.3839 -11.1866 -11.1845 -10.0874 -10.0832 -9.9963 -9.9951 -2.5430 -2.5397 4.6599 4.6638 5.4571 5.4729 6.6216 6.6217 8.0081 8.0105 9.3119 9.3201 10.2551 10.2797 11.1233 11.1616 k = 0.1042 0.1804-0.0000 ( 7897 PWs) bands (ev): -39.1928 -39.1928 -28.3842 -28.3842 -11.1843 -11.1826 -10.0828 -10.0793 -9.9958 -9.9948 -2.5632 -2.5604 4.7345 4.7387 5.4727 5.4873 6.6319 6.6320 7.9875 7.9897 9.2344 9.2410 10.2864 10.3128 11.0478 11.0863 k = 0.0972 0.1684-0.0000 ( 7893 PWs) bands (ev): -39.1928 -39.1928 -28.3845 -28.3845 -11.1821 -11.1807 -10.0784 -10.0755 -9.9954 -9.9945 -2.5826 -2.5803 4.8097 4.8142 5.4864 5.4998 6.6420 6.6422 7.9665 7.9686 9.1596 9.1648 10.3184 10.3466 10.9775 11.0161 k = 0.0903 0.1564-0.0000 ( 7899 PWs) bands (ev): -39.1928 -39.1928 -28.3847 -28.3847 -11.1800 -11.1789 -10.0742 -10.0718 -9.9950 -9.9943 -2.6011 -2.5992 4.8851 4.8898 5.4983 5.5106 6.6520 6.6522 7.9448 7.9468 9.0875 9.0915 10.3507 10.3805 10.9133 10.9519 k = 0.0833 0.1443-0.0000 ( 7899 PWs) bands (ev): -39.1928 -39.1928 -28.3850 -28.3850 -11.1781 -11.1772 -10.0702 -10.0683 -9.9945 -9.9940 -2.6186 -2.6171 4.9603 4.9651 5.5086 5.5197 6.6617 6.6619 7.9223 7.9242 9.0184 9.0213 10.3828 10.4139 10.8556 10.8941 k = 0.0764 0.1323-0.0000 ( 7893 PWs) bands (ev): -39.1928 -39.1928 -28.3852 -28.3852 -11.1762 -11.1755 -10.0664 -10.0649 -9.9941 -9.9937 -2.6350 -2.6338 5.0346 5.0395 5.5173 5.5274 6.6710 6.6712 7.8988 7.9006 8.9524 8.9545 10.4144 10.4465 10.8050 10.8432 k = 0.0694 0.1203-0.0000 ( 7889 PWs) bands (ev): -39.1928 -39.1928 -28.3854 -28.3854 -11.1745 -11.1740 -10.0629 -10.0618 -9.9937 -9.9934 -2.6502 -2.6494 5.1074 5.1123 5.5248 5.5338 6.6799 6.6801 7.8744 7.8760 8.8900 8.8914 10.4449 10.4776 10.7615 10.7991 k = 0.0625 0.1083-0.0000 ( 7885 PWs) bands (ev): -39.1928 -39.1928 -28.3856 -28.3856 -11.1730 -11.1726 -10.0598 -10.0589 -9.9934 -9.9931 -2.6642 -2.6636 5.1780 5.1828 5.5310 5.5390 6.6882 6.6884 7.8492 7.8505 8.8314 8.8323 10.4741 10.5068 10.7252 10.7617 k = 0.0556 0.0962-0.0000 ( 7889 PWs) bands (ev): -39.1928 -39.1928 -28.3858 -28.3858 -11.1716 -11.1713 -10.0569 -10.0563 -9.9930 -9.9928 -2.6770 -2.6765 5.2455 5.2502 5.5362 5.5432 6.6960 6.6961 7.8234 7.8245 8.7773 8.7778 10.5014 10.5335 10.6958 10.7308 k = 0.0486 0.0842-0.0000 ( 7889 PWs) bands (ev): -39.1929 -39.1929 -28.3859 -28.3859 -11.1704 -11.1702 -10.0543 -10.0539 -9.9927 -9.9925 -2.6884 -2.6881 5.3090 5.3134 5.5405 5.5466 6.7030 6.7030 7.7976 7.7984 8.7281 8.7284 10.5266 10.5572 10.6731 10.7058 k = 0.0417 0.0722-0.0000 ( 7873 PWs) bands (ev): -39.1928 -39.1928 -28.3860 -28.3860 -11.1693 -11.1691 -10.0521 -10.0518 -9.9924 -9.9923 -2.6983 -2.6981 5.3674 5.3714 5.5441 5.5493 6.7092 6.7092 7.7722 7.7729 8.6844 8.6845 10.5492 10.5771 10.6569 10.6861 k = 0.0347 0.0601-0.0000 ( 7881 PWs) bands (ev): -39.1929 -39.1929 -28.3862 -28.3862 -11.1683 -11.1683 -10.0502 -10.0501 -9.9921 -9.9920 -2.7069 -2.7068 5.4196 5.4231 5.5472 5.5514 6.7146 6.7146 7.7483 7.7487 8.6466 8.6467 10.5687 10.5920 10.6471 10.6713 k = 0.0278 0.0481-0.0000 ( 7887 PWs) bands (ev): -39.1929 -39.1929 -28.3863 -28.3863 -11.1676 -11.1676 -10.0487 -10.0486 -9.9919 -9.9918 -2.7139 -2.7138 5.4641 5.4670 5.5501 5.5533 6.7190 6.7191 7.7266 7.7269 8.6152 8.6152 10.5846 10.6011 10.6439 10.6609 k = 0.0208 0.0361-0.0000 ( 7887 PWs) bands (ev): -39.1929 -39.1929 -28.3863 -28.3863 -11.1670 -11.1670 -10.0475 -10.0474 -9.9917 -9.9917 -2.7194 -2.7194 5.4997 5.5018 5.5531 5.5554 6.7226 6.7226 7.7083 7.7084 8.5904 8.5904 10.5963 10.6049 10.6457 10.6545 k = 0.0139 0.0241-0.0000 ( 7887 PWs) bands (ev): -39.1929 -39.1929 -28.3864 -28.3864 -11.1666 -11.1666 -10.0466 -10.0466 -9.9915 -9.9915 -2.7234 -2.7234 5.5243 5.5254 5.5573 5.5584 6.7251 6.7251 7.6944 7.6944 8.5726 8.5726 10.6033 10.6062 10.6490 10.6519 k = 0.0069 0.0120-0.0000 ( 7891 PWs) bands (ev): -39.1929 -39.1929 -28.3864 -28.3864 -11.1663 -11.1663 -10.0461 -10.0461 -9.9914 -9.9914 -2.7257 -2.7257 5.5368 5.5370 5.5627 5.5629 6.7267 6.7267 7.6856 7.6856 8.5618 8.5618 10.6064 10.6068 10.6513 10.6517 k = 0.0000 0.0000 0.0000 ( 7903 PWs) bands (ev): -39.1929 -39.1929 -28.3864 -28.3864 -11.1662 -11.1662 -10.0459 -10.0459 -9.9914 -9.9914 -2.7265 -2.7265 5.5400 5.5400 5.5654 5.5654 6.7272 6.7272 7.6826 7.6826 8.5583 8.5583 10.6071 10.6071 10.6520 10.6520 k = 0.0000 0.0000 0.0000 ( 7903 PWs) bands (ev): -39.1929 -39.1929 -28.3864 -28.3864 -11.1662 -11.1662 -10.0459 -10.0459 -9.9914 -9.9914 -2.7265 -2.7265 5.5400 5.5400 5.5654 5.5654 6.7272 6.7272 7.6826 7.6826 8.5583 8.5583 10.6071 10.6071 10.6520 10.6520 k = 0.0000 0.0000 0.0137 ( 7921 PWs) bands (ev): -39.1929 -39.1929 -28.3864 -28.3864 -11.1663 -11.1663 -10.0459 -10.0459 -9.9917 -9.9917 -2.7255 -2.7255 5.5407 5.5407 5.5660 5.5662 6.7059 6.7059 7.7036 7.7036 8.5608 8.5608 10.5973 10.5973 10.6395 10.6441 k = 0.0000 0.0000 0.0274 ( 7915 PWs) bands (ev): -39.1929 -39.1929 -28.3864 -28.3864 -11.1666 -11.1666 -10.0457 -10.0457 -9.9927 -9.9927 -2.7222 -2.7222 5.5429 5.5429 5.5682 5.5685 6.6469 6.6469 7.7616 7.7616 8.5684 8.5684 10.5689 10.5689 10.6079 10.6167 k = 0.0000 0.0000 0.0411 ( 7915 PWs) bands (ev): -39.1929 -39.1929 -28.3863 -28.3863 -11.1670 -11.1670 -10.0455 -10.0455 -9.9942 -9.9942 -2.7168 -2.7168 5.5465 5.5465 5.5718 5.5723 6.5607 6.5607 7.8463 7.8463 8.5812 8.5812 10.5245 10.5245 10.5603 10.5725 k = 0.0000 0.0000 0.0549 ( 7861 PWs) bands (ev): -39.1928 -39.1928 -28.3861 -28.3861 -11.1676 -11.1676 -10.0452 -10.0452 -9.9964 -9.9964 -2.7092 -2.7092 5.5515 5.5515 5.5768 5.5775 6.4567 6.4567 7.9479 7.9479 8.5989 8.5989 10.4678 10.4678 10.5003 10.5151 k = 0.0000 0.0000 0.0686 ( 7861 PWs) bands (ev): -39.1928 -39.1928 -28.3859 -28.3859 -11.1684 -11.1684 -10.0448 -10.0448 -9.9992 -9.9992 -2.6996 -2.6996 5.5579 5.5579 5.5833 5.5841 6.3418 6.3418 8.0600 8.0600 8.6217 8.6217 10.4020 10.4020 10.4315 10.4483 k = 0.0000 0.0000 0.0823 ( 7873 PWs) bands (ev): -39.1928 -39.1928 -28.3857 -28.3857 -11.1694 -11.1694 -10.0443 -10.0443 -10.0025 -10.0025 -2.6879 -2.6879 5.5656 5.5656 5.5911 5.5921 6.2201 6.2201 8.1781 8.1781 8.6493 8.6493 10.3301 10.3301 10.3567 10.3749 k = 0.0000 0.0000 0.0960 ( 7867 PWs) bands (ev): -39.1928 -39.1928 -28.3855 -28.3855 -11.1705 -11.1705 -10.0438 -10.0438 -10.0064 -10.0064 -2.6741 -2.6741 5.5747 5.5747 5.6004 5.6015 6.0943 6.0943 8.2996 8.2996 8.6819 8.6819 10.2542 10.2542 10.2782 10.2975 k = 0.0000 0.0000 0.1097 ( 7891 PWs) bands (ev): -39.1928 -39.1928 -28.3852 -28.3852 -11.1718 -11.1718 -10.0431 -10.0431 -10.0107 -10.0107 -2.6584 -2.6584 5.5848 5.5848 5.6109 5.6123 5.9664 5.9664 8.4227 8.4227 8.7192 8.7192 10.1763 10.1763 10.1978 10.2178 k = 0.0000 0.0000 0.1234 ( 7891 PWs) bands (ev): -39.1928 -39.1928 -28.3849 -28.3849 -11.1733 -11.1733 -10.0424 -10.0424 -10.0156 -10.0156 -2.6409 -2.6409 5.5959 5.5959 5.6228 5.6243 5.8375 5.8375 8.5461 8.5461 8.7614 8.7614 10.0975 10.0975 10.1167 10.1373 k = 0.0000 0.0000 0.1372 ( 7897 PWs) bands (ev): -39.1928 -39.1928 -28.3846 -28.3846 -11.1749 -11.1749 -10.0416 -10.0416 -10.0208 -10.0208 -2.6215 -2.6215 5.6062 5.6062 5.6358 5.6375 5.7104 5.7104 8.6686 8.6686 8.8087 8.8087 10.0190 10.0190 10.0360 10.0570 k = 0.0000 0.0000 0.1509 ( 7897 PWs) bands (ev): -39.1928 -39.1928 -28.3842 -28.3842 -11.1766 -11.1766 -10.0408 -10.0408 -10.0265 -10.0265 -2.6003 -2.6003 5.5679 5.5679 5.6331 5.6331 5.6501 5.6519 8.7876 8.7876 8.8629 8.8629 9.9415 9.9415 9.9563 9.9777 k = 0.0000 0.0000 0.1646 ( 7921 PWs) bands (ev): -39.1928 -39.1928 -28.3838 -28.3838 -11.1785 -11.1785 -10.0399 -10.0399 -10.0325 -10.0325 -2.5776 -2.5776 5.4448 5.4448 5.6425 5.6425 5.6654 5.6674 8.8892 8.8892 8.9373 8.9373 9.8657 9.8657 9.8785 9.9001 k = 0.0000 0.0000 0.1783 ( 7921 PWs) bands (ev): -39.1928 -39.1928 -28.3834 -28.3834 -11.1806 -11.1806 -10.0389 -10.0389 -10.0388 -10.0388 -2.5533 -2.5533 5.3181 5.3181 5.6578 5.6578 5.6818 5.6840 8.9593 8.9593 9.0455 9.0455 9.7920 9.7920 9.8028 9.8247 k = 0.0000 0.0000 0.1920 ( 7933 PWs) bands (ev): -39.1928 -39.1928 -28.3829 -28.3829 -11.1828 -11.1828 -10.0453 -10.0453 -10.0379 -10.0379 -2.5276 -2.5276 5.1922 5.1922 5.6745 5.6745 5.6991 5.7014 9.0233 9.0233 9.1615 9.1615 9.7210 9.7210 9.7297 9.7518 k = 0.0000 0.0000 0.2057 ( 7920 PWs) bands (ev): -39.1928 -39.1928 -28.3825 -28.3825 -11.1851 -11.1851 -10.0521 -10.0521 -10.0369 -10.0369 -2.5006 -2.5006 5.0680 5.0680 5.6923 5.6923 5.7173 5.7197 9.0888 9.0888 9.2774 9.2774 9.6529 9.6529 9.6597 9.6820 k = 0.0000 0.0000 0.2194 ( 7938 PWs) bands (ev): -39.1928 -39.1928 -28.3820 -28.3820 -11.1875 -11.1875 -10.0590 -10.0590 -10.0358 -10.0358 -2.4724 -2.4724 4.9458 4.9458 5.7109 5.7109 5.7362 5.7388 9.1565 9.1565 9.3915 9.3915 9.5884 9.5884 9.5928 9.6153 k = 0.0000 0.0000 0.2332 ( 7944 PWs) bands (ev): -39.1928 -39.1928 -28.3815 -28.3815 -11.1900 -11.1900 -10.0659 -10.0659 -10.0347 -10.0347 -2.4432 -2.4432 4.8259 4.8259 5.7302 5.7302 5.7558 5.7585 9.2263 9.2263 9.4974 9.4974 9.5296 9.5341 9.5341 9.5522 k = 0.0000 0.0000 0.2469 ( 7944 PWs) bands (ev): -39.1928 -39.1928 -28.3810 -28.3810 -11.1926 -11.1926 -10.0730 -10.0730 -10.0335 -10.0335 -2.4130 -2.4130 4.7085 4.7085 5.7500 5.7500 5.7759 5.7788 9.2978 9.2978 9.4664 9.4664 9.4700 9.4928 9.6187 9.6187 k = 0.0000 0.0000 0.2606 ( 7938 PWs) bands (ev): -39.1928 -39.1928 -28.3805 -28.3805 -11.1953 -11.1953 -10.0800 -10.0800 -10.0324 -10.0324 -2.3822 -2.3822 4.5940 4.5940 5.7702 5.7702 5.7965 5.7995 9.3696 9.3696 9.4145 9.4146 9.4146 9.4374 9.7275 9.7275 k = 0.0000 0.0000 0.2743 ( 7944 PWs) bands (ev): -39.1928 -39.1928 -28.3800 -28.3800 -11.1980 -11.1980 -10.0871 -10.0871 -10.0312 -10.0312 -2.3507 -2.3507 4.4825 4.4825 5.7908 5.7908 5.8173 5.8204 9.3620 9.3620 9.3631 9.3862 9.4466 9.4466 9.8352 9.8352 k = 0.0000 0.0000 0.2880 ( 7932 PWs) bands (ev): -39.1927 -39.1927 -28.3795 -28.3795 -11.2008 -11.2008 -10.0940 -10.0940 -10.0301 -10.0301 -2.3189 -2.3189 4.3743 4.3743 5.8115 5.8115 5.8384 5.8415 9.3161 9.3171 9.3171 9.3393 9.5206 9.5206 9.9414 9.9414 k = 0.0000 0.0000 0.3017 ( 7932 PWs) bands (ev): -39.1927 -39.1927 -28.3790 -28.3790 -11.2036 -11.2036 -10.1008 -10.1008 -10.0289 -10.0289 -2.2868 -2.2868 4.2695 4.2695 5.8322 5.8322 5.8594 5.8626 9.2735 9.2761 9.2761 9.2968 9.5949 9.5949 10.0461 10.0461 k = 0.0000 0.0000 0.3155 ( 7920 PWs) bands (ev): -39.1927 -39.1927 -28.3786 -28.3786 -11.2064 -11.2064 -10.1074 -10.1074 -10.0278 -10.0278 -2.2546 -2.2546 4.1686 4.1686 5.8529 5.8529 5.8804 5.8836 9.2357 9.2395 9.2395 9.2591 9.6687 9.6687 10.1494 10.1494 k = 0.0000 0.0000 0.3292 ( 7938 PWs) bands (ev): -39.1927 -39.1927 -28.3781 -28.3781 -11.2092 -11.2092 -10.1139 -10.1139 -10.0267 -10.0267 -2.2227 -2.2227 4.0716 4.0716 5.8732 5.8732 5.9011 5.9044 9.2026 9.2076 9.2076 9.2261 9.7412 9.7412 10.2511 10.2511 k = 0.0000 0.0000 0.3429 ( 7938 PWs) bands (ev): -39.1927 -39.1927 -28.3776 -28.3776 -11.2120 -11.2120 -10.1201 -10.1201 -10.0256 -10.0256 -2.1911 -2.1911 3.9788 3.9788 5.8932 5.8932 5.9214 5.9247 9.1744 9.1805 9.1805 9.1980 9.8119 9.8119 10.3513 10.3513 k = 0.0000 0.0000 0.3566 ( 7950 PWs) bands (ev): -39.1927 -39.1927 -28.3771 -28.3771 -11.2147 -11.2147 -10.1260 -10.1260 -10.0245 -10.0245 -2.1600 -2.1600 3.8904 3.8904 5.9126 5.9126 5.9411 5.9444 9.1512 9.1583 9.1583 9.1748 9.8803 9.8803 10.4498 10.4498 k = 0.0000 0.0000 0.3703 ( 7938 PWs) bands (ev): -39.1927 -39.1927 -28.3767 -28.3767 -11.2173 -11.2173 -10.1317 -10.1317 -10.0235 -10.0235 -2.1298 -2.1298 3.8067 3.8067 5.9313 5.9313 5.9602 5.9634 9.1331 9.1410 9.1410 9.1567 9.9459 9.9459 10.5461 10.5461 k = 0.0000 0.0000 0.3840 ( 7932 PWs) bands (ev): -39.1927 -39.1927 -28.3763 -28.3763 -11.2198 -11.2198 -10.1370 -10.1370 -10.0226 -10.0226 -2.1006 -2.1006 3.7280 3.7280 5.9492 5.9492 5.9785 5.9816 9.1201 9.1286 9.1286 9.1437 10.0083 10.0083 10.4608 10.4841 k = 0.0000 0.0000 0.3977 ( 7920 PWs) bands (ev): -39.1927 -39.1927 -28.3759 -28.3759 -11.2223 -11.2223 -10.1420 -10.1420 -10.0216 -10.0216 -2.0726 -2.0726 3.6544 3.6544 5.9662 5.9662 5.9958 5.9988 9.1123 9.1212 9.1212 9.1357 10.0670 10.0670 10.3626 10.3856 k = 0.0000 0.0000 0.4115 ( 7902 PWs) bands (ev): -39.1926 -39.1926 -28.3755 -28.3755 -11.2246 -11.2246 -10.1466 -10.1466 -10.0208 -10.0208 -2.0461 -2.0461 3.5862 3.5862 5.9821 5.9821 6.0120 6.0149 9.1095 9.1187 9.1187 9.1328 10.1218 10.1218 10.2677 10.2904 k = 0.0000 0.0000 0.4252 ( 7920 PWs) bands (ev): -39.1926 -39.1926 -28.3752 -28.3752 -11.2267 -11.2267 -10.1508 -10.1508 -10.0200 -10.0200 -2.0213 -2.0213 3.5236 3.5236 5.9968 5.9968 6.0271 6.0298 9.1118 9.1210 9.1210 9.1348 10.1722 10.1722 10.1766 10.1988 k = 0.0000 0.0000 0.4389 ( 7920 PWs) bands (ev): -39.1926 -39.1926 -28.3749 -28.3749 -11.2287 -11.2287 -10.1546 -10.1546 -10.0193 -10.0193 -1.9984 -1.9984 3.4669 3.4669 6.0103 6.0103 6.0408 6.0434 9.1189 9.1278 9.1278 9.1415 10.0895 10.1114 10.1233 10.1233 k = 0.0000 0.0000 0.4526 ( 7908 PWs) bands (ev): -39.1926 -39.1926 -28.3746 -28.3746 -11.2305 -11.2305 -10.1580 -10.1580 -10.0186 -10.0186 -1.9776 -1.9776 3.4163 3.4163 6.0223 6.0223 6.0532 6.0555 9.1305 9.1389 9.1389 9.1526 10.0071 10.0284 10.0414 10.0414 k = 0.0000 0.0000 0.4663 ( 7914 PWs) bands (ev): -39.1926 -39.1926 -28.3743 -28.3743 -11.2320 -11.2320 -10.1610 -10.1610 -10.0181 -10.0181 -1.9591 -1.9591 3.3720 3.3720 6.0329 6.0329 6.0641 6.0662 9.1463 9.1537 9.1537 9.1676 9.9300 9.9506 9.9650 9.9650 k = 0.0000 0.0000 0.4800 ( 7908 PWs) bands (ev): -39.1926 -39.1926 -28.3741 -28.3741 -11.2334 -11.2334 -10.1635 -10.1635 -10.0176 -10.0176 -1.9431 -1.9431 3.3341 3.3341 6.0420 6.0420 6.0735 6.0753 9.1656 9.1715 9.1715 9.1857 9.8591 9.8785 9.8949 9.8949 k = 0.0000 0.0000 0.4937 ( 7896 PWs) bands (ev): -39.1926 -39.1926 -28.3740 -28.3740 -11.2345 -11.2345 -10.1656 -10.1656 -10.0172 -10.0172 -1.9298 -1.9298 3.3029 3.3029 6.0495 6.0495 6.0813 6.0827 9.1874 9.1912 9.1912 9.2058 9.7957 9.8135 9.8322 9.8322 k = 0.0000 0.0000 0.5075 ( 7896 PWs) bands (ev): -39.1926 -39.1926 -28.3738 -28.3738 -11.2354 -11.2354 -10.1672 -10.1672 -10.0169 -10.0169 -1.9193 -1.9193 3.2784 3.2784 6.0554 6.0554 6.0875 6.0885 9.2102 9.2111 9.2111 9.2260 9.7416 9.7570 9.7789 9.7789 k = 0.0000 0.0000 0.5212 ( 7908 PWs) bands (ev): -39.1926 -39.1926 -28.3737 -28.3737 -11.2361 -11.2361 -10.1683 -10.1683 -10.0166 -10.0166 -1.9117 -1.9117 3.2609 3.2609 6.0596 6.0596 6.0919 6.0927 9.2288 9.2288 9.2316 9.2435 9.6998 9.7115 9.7372 9.7372 k = 0.0000 0.0000 0.5349 ( 7908 PWs) bands (ev): -39.1926 -39.1926 -28.3737 -28.3737 -11.2365 -11.2365 -10.1690 -10.1690 -10.0165 -10.0165 -1.9071 -1.9071 3.2503 3.2503 6.0622 6.0622 6.0947 6.0951 9.2413 9.2413 9.2483 9.2549 9.6739 9.6803 9.7102 9.7102 k = 0.0000 0.0000 0.5486 ( 7908 PWs) bands (ev): -39.1926 -39.1926 -28.3736 -28.3736 -11.2366 -11.2366 -10.1693 -10.1693 -10.0165 -10.0165 -1.9056 -1.9056 3.2468 3.2468 6.0630 6.0630 6.0957 6.0957 9.2459 9.2459 9.2568 9.2568 9.6671 9.6671 9.7008 9.7008 k = 0.0000 0.0000 0.5486 ( 7908 PWs) bands (ev): -39.1926 -39.1926 -28.3736 -28.3736 -11.2366 -11.2366 -10.1693 -10.1693 -10.0165 -10.0165 -1.9056 -1.9056 3.2468 3.2468 6.0630 6.0630 6.0957 6.0957 9.2459 9.2459 9.2568 9.2568 9.6671 9.6671 9.7008 9.7008 k = 0.0119 0.0069 0.5486 ( 7908 PWs) bands (ev): -39.1926 -39.1926 -28.3736 -28.3736 -11.2366 -11.2366 -10.1693 -10.1693 -10.0166 -10.0166 -1.9057 -1.9057 3.2485 3.2485 6.0598 6.0598 6.0925 6.0925 9.2501 9.2501 9.2610 9.2610 9.6522 9.6522 9.6940 9.6940 k = 0.0238 0.0137 0.5486 ( 7908 PWs) bands (ev): -39.1926 -39.1926 -28.3736 -28.3736 -11.2367 -11.2367 -10.1693 -10.1693 -10.0170 -10.0170 -1.9058 -1.9058 3.2535 3.2535 6.0501 6.0501 6.0829 6.0829 9.2620 9.2620 9.2741 9.2741 9.5951 9.5951 9.6941 9.6941 k = 0.0357 0.0206 0.5486 ( 7904 PWs) bands (ev): -39.1926 -39.1926 -28.3735 -28.3735 -11.2369 -11.2369 -10.1693 -10.1693 -10.0177 -10.0177 -1.9061 -1.9061 3.2618 3.2618 6.0337 6.0337 6.0677 6.0677 9.2802 9.2802 9.2969 9.2969 9.5100 9.5100 9.7020 9.7020 k = 0.0476 0.0275 0.5486 ( 7912 PWs) bands (ev): -39.1926 -39.1926 -28.3735 -28.3735 -11.2372 -11.2372 -10.1694 -10.1694 -10.0186 -10.0186 -1.9065 -1.9065 3.2734 3.2734 6.0105 6.0105 6.0475 6.0475 9.3039 9.3039 9.3292 9.3292 9.4119 9.4119 9.7146 9.7146 k = 0.0595 0.0344 0.5486 ( 7908 PWs) bands (ev): -39.1926 -39.1926 -28.3734 -28.3734 -11.2375 -11.2375 -10.1694 -10.1694 -10.0198 -10.0198 -1.9069 -1.9069 3.2882 3.2882 5.9806 5.9806 6.0232 6.0232 9.3035 9.3035 9.3341 9.3341 9.3731 9.3731 9.7312 9.7312 k = 0.0714 0.0412 0.5486 ( 7916 PWs) bands (ev): -39.1926 -39.1926 -28.3733 -28.3733 -11.2379 -11.2379 -10.1695 -10.1695 -10.0213 -10.0213 -1.9075 -1.9075 3.3062 3.3062 5.9444 5.9444 5.9953 5.9953 9.1972 9.1972 9.3664 9.3664 9.4233 9.4233 9.7517 9.7517 k = 0.0833 0.0481 0.5486 ( 7928 PWs) bands (ev): -39.1926 -39.1926 -28.3731 -28.3731 -11.2383 -11.2383 -10.1696 -10.1696 -10.0229 -10.0229 -1.9082 -1.9082 3.3274 3.3274 5.9025 5.9025 5.9643 5.9643 9.0888 9.0888 9.4032 9.4032 9.4823 9.4823 9.7759 9.7759 k = 0.0952 0.0550 0.5486 ( 7930 PWs) bands (ev): -39.1926 -39.1926 -28.3730 -28.3730 -11.2389 -11.2389 -10.1697 -10.1697 -10.0248 -10.0248 -1.9090 -1.9090 3.3516 3.3516 5.8559 5.8559 5.9305 5.9305 8.9809 8.9809 9.4429 9.4429 9.5490 9.5490 9.8038 9.8038 k = 0.1071 0.0619 0.5486 ( 7934 PWs) bands (ev): -39.1926 -39.1926 -28.3728 -28.3728 -11.2394 -11.2394 -10.1698 -10.1698 -10.0269 -10.0269 -1.9098 -1.9098 3.3788 3.3788 5.8052 5.8052 5.8943 5.8943 8.8744 8.8744 9.4846 9.4846 9.6228 9.6228 9.8355 9.8355 k = 0.1190 0.0687 0.5486 ( 7930 PWs) bands (ev): -39.1926 -39.1926 -28.3726 -28.3726 -11.2401 -11.2401 -10.1699 -10.1699 -10.0292 -10.0292 -1.9108 -1.9108 3.4090 3.4090 5.7512 5.7512 5.8560 5.8560 8.7697 8.7697 9.5275 9.5275 9.7032 9.7032 9.8709 9.8709 k = 0.1310 0.0756 0.5486 ( 7930 PWs) bands (ev): -39.1926 -39.1926 -28.3724 -28.3724 -11.2408 -11.2408 -10.1701 -10.1701 -10.0317 -10.0317 -1.9119 -1.9119 3.4419 3.4419 5.6946 5.6946 5.8161 5.8161 8.6673 8.6673 9.5709 9.5709 9.7897 9.7897 9.9099 9.9099 k = 0.1429 0.0825 0.5486 ( 7938 PWs) bands (ev): -39.1926 -39.1926 -28.3722 -28.3722 -11.2416 -11.2416 -10.1703 -10.1703 -10.0343 -10.0343 -1.9130 -1.9130 3.4775 3.4775 5.6359 5.6359 5.7749 5.7749 8.5674 8.5674 9.6140 9.6140 9.8817 9.8817 9.9527 9.9527 k = 0.1548 0.0894 0.5486 ( 7934 PWs) bands (ev): -39.1926 -39.1926 -28.3720 -28.3720 -11.2424 -11.2424 -10.1705 -10.1705 -10.0371 -10.0371 -1.9142 -1.9142 3.5156 3.5156 5.5759 5.5759 5.7327 5.7327 8.4703 8.4703 9.6565 9.6565 9.9776 9.9776 10.0005 10.0005 k = 0.1667 0.0962 0.5486 ( 7922 PWs) bands (ev): -39.1926 -39.1926 -28.3718 -28.3718 -11.2433 -11.2433 -10.1707 -10.1707 -10.0399 -10.0399 -1.9155 -1.9155 3.5561 3.5561 5.5149 5.5149 5.6900 5.6900 8.3760 8.3760 9.6977 9.6977 10.0465 10.0465 10.0836 10.0836 k = 0.1786 0.1031 0.5486 ( 7918 PWs) bands (ev): -39.1926 -39.1926 -28.3715 -28.3715 -11.2442 -11.2442 -10.1710 -10.1710 -10.0429 -10.0429 -1.9168 -1.9168 3.5989 3.5989 5.4534 5.4534 5.6469 5.6469 8.2848 8.2848 9.7374 9.7374 10.1005 10.1005 10.1895 10.1895 k = 0.1905 0.1100 0.5486 ( 7908 PWs) bands (ev): -39.1925 -39.1925 -28.3712 -28.3712 -11.2452 -11.2452 -10.1712 -10.1712 -10.0459 -10.0459 -1.9182 -1.9182 3.6437 3.6437 5.3919 5.3919 5.6039 5.6039 8.1968 8.1968 9.7753 9.7753 10.1574 10.1574 10.3001 10.3001 k = 0.2024 0.1168 0.5486 ( 7904 PWs) bands (ev): -39.1925 -39.1925 -28.3710 -28.3710 -11.2462 -11.2462 -10.1716 -10.1716 -10.0489 -10.0489 -1.9197 -1.9197 3.6905 3.6905 5.3306 5.3306 5.5610 5.5610 8.1120 8.1120 9.8112 9.8112 10.2176 10.2176 10.4144 10.4144 k = 0.2143 0.1237 0.5486 ( 7922 PWs) bands (ev): -39.1925 -39.1925 -28.3707 -28.3707 -11.2473 -11.2473 -10.1719 -10.1719 -10.0520 -10.0520 -1.9212 -1.9212 3.7389 3.7389 5.2700 5.2700 5.5187 5.5187 8.0305 8.0305 9.8451 9.8451 10.2812 10.2812 10.5321 10.5321 k = 0.2262 0.1306 0.5486 ( 7922 PWs) bands (ev): -39.1925 -39.1925 -28.3704 -28.3704 -11.2483 -11.2483 -10.1723 -10.1723 -10.0550 -10.0550 -1.9227 -1.9227 3.7888 3.7888 5.2104 5.2104 5.4770 5.4770 7.9524 7.9524 9.8770 9.8770 10.3481 10.3481 10.6528 10.6528 k = 0.2381 0.1375 0.5486 ( 7930 PWs) bands (ev): -39.1925 -39.1925 -28.3701 -28.3701 -11.2494 -11.2494 -10.1728 -10.1728 -10.0581 -10.0581 -1.9243 -1.9243 3.8399 3.8399 5.1519 5.1519 5.4361 5.4361 7.8778 7.8778 9.9068 9.9068 10.4183 10.4183 10.7763 10.7763 k = 0.2500 0.1443 0.5486 ( 7922 PWs) bands (ev): -39.1925 -39.1925 -28.3699 -28.3699 -11.2506 -11.2506 -10.1733 -10.1733 -10.0610 -10.0610 -1.9259 -1.9259 3.8920 3.8920 5.0948 5.0948 5.3963 5.3963 7.8067 7.8067 9.9346 9.9346 10.4917 10.4917 10.9020 10.9020 k = 0.2619 0.1512 0.5486 ( 7914 PWs) bands (ev): -39.1925 -39.1925 -28.3696 -28.3696 -11.2517 -11.2517 -10.1738 -10.1738 -10.0640 -10.0640 -1.9275 -1.9275 3.9449 3.9449 5.0393 5.0393 5.3576 5.3576 7.7392 7.7392 9.9605 9.9605 10.5683 10.5683 11.0298 11.0298 k = 0.2738 0.1581 0.5486 ( 7922 PWs) bands (ev): -39.1925 -39.1925 -28.3693 -28.3693 -11.2528 -11.2528 -10.1743 -10.1743 -10.0668 -10.0668 -1.9291 -1.9291 3.9982 3.9982 4.9857 4.9857 5.3201 5.3201 7.6753 7.6753 9.9846 9.9846 10.6480 10.6480 11.1593 11.1593 k = 0.2857 0.1650 0.5486 ( 7914 PWs) bands (ev): -39.1925 -39.1925 -28.3690 -28.3690 -11.2540 -11.2540 -10.1750 -10.1750 -10.0695 -10.0695 -1.9307 -1.9307 4.0517 4.0517 4.9341 4.9341 5.2841 5.2841 7.6150 7.6150 10.0070 10.0070 10.7308 10.7308 11.2901 11.2901 k = 0.2976 0.1718 0.5486 ( 7912 PWs) bands (ev): -39.1925 -39.1925 -28.3687 -28.3687 -11.2551 -11.2551 -10.1756 -10.1756 -10.0721 -10.0721 -1.9323 -1.9323 4.1050 4.1050 4.8845 4.8845 5.2496 5.2496 7.5583 7.5583 10.0277 10.0277 10.8165 10.8165 11.4218 11.4218 k = 0.3095 0.1787 0.5486 ( 7904 PWs) bands (ev): -39.1925 -39.1925 -28.3685 -28.3685 -11.2562 -11.2562 -10.1763 -10.1763 -10.0746 -10.0746 -1.9339 -1.9339 4.1578 4.1578 4.8373 4.8373 5.2167 5.2167 7.5054 7.5054 10.0469 10.0469 10.9052 10.9052 11.5540 11.5540 k = 0.3214 0.1856 0.5486 ( 7900 PWs) bands (ev): -39.1925 -39.1925 -28.3682 -28.3682 -11.2573 -11.2573 -10.1770 -10.1770 -10.0769 -10.0769 -1.9354 -1.9354 4.2099 4.2099 4.7924 4.7924 5.1854 5.1854 7.4561 7.4561 10.0646 10.0646 10.9966 10.9966 11.6863 11.6863 k = 0.3333 0.1925 0.5486 ( 7888 PWs) bands (ev): -39.1925 -39.1925 -28.3680 -28.3680 -11.2584 -11.2584 -10.1778 -10.1778 -10.0790 -10.0790 -1.9369 -1.9369 4.2607 4.2607 4.7500 4.7500 5.1559 5.1559 7.4105 7.4105 10.0809 10.0809 11.0906 11.0906 11.8181 11.8181 k = 0.3452 0.1993 0.5486 ( 7900 PWs) bands (ev): -39.1925 -39.1925 -28.3677 -28.3677 -11.2594 -11.2594 -10.1785 -10.1785 -10.0811 -10.0811 -1.9384 -1.9384 4.3101 4.3101 4.7102 4.7102 5.1282 5.1282 7.3686 7.3686 10.0959 10.0959 11.1872 11.1872 11.9490 11.9490 k = 0.3571 0.2062 0.5486 ( 7888 PWs) bands (ev): -39.1924 -39.1924 -28.3675 -28.3675 -11.2604 -11.2604 -10.1793 -10.1793 -10.0829 -10.0829 -1.9397 -1.9397 4.3575 4.3575 4.6731 4.6731 5.1023 5.1023 7.3303 7.3303 10.1096 10.1096 11.2861 11.2861 12.0781 12.0781 k = 0.3690 0.2131 0.5486 ( 7892 PWs) bands (ev): -39.1924 -39.1924 -28.3673 -28.3673 -11.2614 -11.2614 -10.1800 -10.1800 -10.0846 -10.0846 -1.9410 -1.9410 4.4027 4.4027 4.6388 4.6388 5.0784 5.0784 7.2955 7.2955 10.1221 10.1221 11.3871 11.3871 12.2048 12.2048 k = 0.3810 0.2199 0.5486 ( 7888 PWs) bands (ev): -39.1924 -39.1924 -28.3671 -28.3671 -11.2623 -11.2623 -10.1808 -10.1808 -10.0861 -10.0861 -1.9423 -1.9423 4.4452 4.4452 4.6074 4.6074 5.0564 5.0564 7.2643 7.2643 10.1333 10.1333 11.4901 11.4901 12.3282 12.3282 k = 0.3929 0.2268 0.5486 ( 7892 PWs) bands (ev): -39.1924 -39.1924 -28.3669 -28.3669 -11.2631 -11.2631 -10.1815 -10.1815 -10.0875 -10.0875 -1.9434 -1.9434 4.4845 4.4845 4.5791 4.5791 5.0364 5.0364 7.2366 7.2366 10.1435 10.1435 11.5945 11.5945 12.4473 12.4473 k = 0.4048 0.2337 0.5486 ( 7888 PWs) bands (ev): -39.1924 -39.1924 -28.3667 -28.3667 -11.2638 -11.2638 -10.1822 -10.1822 -10.0887 -10.0887 -1.9444 -1.9444 4.5189 4.5189 4.5555 4.5555 5.0184 5.0184 7.2122 7.2122 10.1525 10.1525 11.7001 11.7001 12.5608 12.5608 k = 0.4167 0.2406 0.5486 ( 7888 PWs) bands (ev): -39.1924 -39.1924 -28.3666 -28.3666 -11.2645 -11.2645 -10.1828 -10.1828 -10.0897 -10.0897 -1.9454 -1.9454 4.5252 4.5252 4.5594 4.5594 5.0025 5.0025 7.1910 7.1910 10.1604 10.1604 11.8061 11.8061 12.6400 12.6400 k = 0.4286 0.2474 0.5486 ( 7888 PWs) bands (ev): -39.1924 -39.1924 -28.3664 -28.3664 -11.2651 -11.2651 -10.1834 -10.1834 -10.0906 -10.0906 -1.9462 -1.9462 4.5075 4.5075 4.5863 4.5863 4.9886 4.9886 7.1730 7.1730 10.1673 10.1673 11.9115 11.9115 12.5754 12.5754 k = 0.4405 0.2543 0.5486 ( 7886 PWs) bands (ev): -39.1924 -39.1924 -28.3663 -28.3663 -11.2656 -11.2656 -10.1839 -10.1839 -10.0913 -10.0913 -1.9469 -1.9469 4.4911 4.4911 4.6109 4.6109 4.9769 4.9769 7.1580 7.1580 10.1730 10.1730 12.0150 12.0150 12.5193 12.5193 k = 0.4524 0.2612 0.5486 ( 7894 PWs) bands (ev): -39.1924 -39.1924 -28.3662 -28.3662 -11.2660 -11.2660 -10.1844 -10.1844 -10.0919 -10.0919 -1.9475 -1.9475 4.4775 4.4775 4.6316 4.6316 4.9673 4.9673 7.1459 7.1459 10.1777 10.1777 12.1141 12.1141 12.4726 12.4726 k = 0.4643 0.2681 0.5486 ( 7890 PWs) bands (ev): -39.1924 -39.1924 -28.3662 -28.3662 -11.2664 -11.2664 -10.1847 -10.1847 -10.0924 -10.0924 -1.9479 -1.9479 4.4668 4.4668 4.6480 4.6480 4.9598 4.9598 7.1367 7.1367 10.1814 10.1814 12.2049 12.2049 12.4361 12.4361 k = 0.4762 0.2749 0.5486 ( 7902 PWs) bands (ev): -39.1924 -39.1924 -28.3661 -28.3661 -11.2666 -11.2666 -10.1850 -10.1850 -10.0927 -10.0927 -1.9483 -1.9483 4.4591 4.4591 4.6598 4.6598 4.9544 4.9544 7.1301 7.1301 10.1840 10.1840 12.2806 12.2806 12.4107 12.4107 k = 0.4881 0.2818 0.5486 ( 7900 PWs) bands (ev): -39.1924 -39.1924 -28.3661 -28.3661 -11.2668 -11.2668 -10.1851 -10.1851 -10.0929 -10.0929 -1.9485 -1.9485 4.4545 4.4545 4.6669 4.6669 4.9512 4.9512 7.1262 7.1262 10.1855 10.1855 12.3306 12.3306 12.3980 12.3980 k = 0.5000 0.2887 0.5486 ( 7888 PWs) bands (ev): -39.1924 -39.1924 -28.3661 -28.3661 -11.2668 -11.2668 -10.1852 -10.1852 -10.0930 -10.0930 -1.9485 -1.9485 4.4529 4.4529 4.6693 4.6693 4.9501 4.9501 7.1249 7.1249 10.1861 10.1861 12.3465 12.3465 12.3963 12.3963 k = 0.5000 0.2887 0.5486 ( 7888 PWs) bands (ev): -39.1924 -39.1924 -28.3661 -28.3661 -11.2668 -11.2668 -10.1852 -10.1852 -10.0930 -10.0930 -1.9485 -1.9485 4.4529 4.4529 4.6693 4.6693 4.9501 4.9501 7.1249 7.1249 10.1861 10.1861 12.3465 12.3465 12.3963 12.3963 k = 0.4931 0.3007 0.5486 ( 7896 PWs) bands (ev): -39.1924 -39.1924 -28.3661 -28.3661 -11.2669 -11.2667 -10.1851 -10.1851 -10.0933 -10.0929 -1.9486 -1.9485 4.4513 4.4527 4.6686 4.6711 4.9487 4.9511 7.1245 7.1278 10.1888 10.1898 12.3119 12.3498 12.3762 12.4154 k = 0.4861 0.3127 0.5486 ( 7904 PWs) bands (ev): -39.1924 -39.1924 -28.3661 -28.3661 -11.2670 -11.2667 -10.1850 -10.1849 -10.0937 -10.0931 -1.9486 -1.9486 4.4477 4.4506 4.6691 4.6741 4.9469 4.9517 7.1264 7.1331 10.1982 10.2001 12.2575 12.2918 12.3888 12.4250 k = 0.4792 0.3248 0.5486 ( 7900 PWs) bands (ev): -39.1924 -39.1924 -28.3660 -28.3660 -11.2672 -11.2666 -10.1847 -10.1846 -10.0945 -10.0935 -1.9487 -1.9486 4.4424 4.4467 4.6708 4.6783 4.9448 4.9518 7.1308 7.1408 10.2138 10.2168 12.1830 12.2111 12.4026 12.4321 k = 0.4722 0.3368 0.5486 ( 7892 PWs) bands (ev): -39.1924 -39.1924 -28.3660 -28.3660 -11.2673 -11.2666 -10.1843 -10.1841 -10.0954 -10.0941 -1.9488 -1.9487 4.4354 4.4411 4.6735 4.6837 4.9423 4.9514 7.1375 7.1509 10.2357 10.2397 12.0922 12.1154 12.4170 12.4405 k = 0.4653 0.3488 0.5486 ( 7884 PWs) bands (ev): -39.1924 -39.1924 -28.3660 -28.3660 -11.2675 -11.2666 -10.1838 -10.1836 -10.0965 -10.0949 -1.9489 -1.9488 4.4267 4.4338 4.6772 4.6901 4.9396 4.9506 7.1466 7.1633 10.2635 10.2684 11.9898 12.0096 12.4330 12.4515 k = 0.4583 0.3608 0.5486 ( 7882 PWs) bands (ev): -39.1924 -39.1924 -28.3659 -28.3659 -11.2677 -11.2666 -10.1832 -10.1829 -10.0978 -10.0959 -1.9490 -1.9489 4.4167 4.4251 4.6818 4.6974 4.9366 4.9494 7.1580 7.1780 10.2967 10.3026 11.8799 11.8972 12.4509 12.4654 k = 0.4514 0.3729 0.5486 ( 7874 PWs) bands (ev): -39.1924 -39.1924 -28.3659 -28.3659 -11.2679 -11.2666 -10.1825 -10.1822 -10.0993 -10.0971 -1.9491 -1.9490 4.4054 4.4150 4.6874 4.7057 4.9333 4.9477 7.1717 7.1949 10.3349 10.3418 11.7654 11.7809 12.4711 12.4822 k = 0.4444 0.3849 0.5486 ( 7882 PWs) bands (ev): -39.1924 -39.1924 -28.3659 -28.3659 -11.2681 -11.2666 -10.1817 -10.1813 -10.1010 -10.0984 -1.9493 -1.9492 4.3931 4.4038 4.6936 4.7148 4.9299 4.9456 7.1874 7.2139 10.3776 10.3855 11.6485 11.6625 12.4936 12.5019 k = 0.4375 0.3969 0.5486 ( 7882 PWs) bands (ev): -39.1924 -39.1924 -28.3658 -28.3658 -11.2683 -11.2667 -10.1809 -10.1804 -10.1028 -10.0999 -1.9495 -1.9494 4.3800 4.3917 4.7005 4.7244 4.9263 4.9431 7.2052 7.2348 10.4241 10.4330 11.5309 11.5438 12.5186 12.5244 k = 0.4306 0.4090 0.5486 ( 7870 PWs) bands (ev): -39.1924 -39.1924 -28.3658 -28.3658 -11.2686 -11.2667 -10.1799 -10.1793 -10.1047 -10.1016 -1.9497 -1.9495 4.3662 4.3788 4.7079 4.7346 4.9226 4.9404 7.2248 7.2576 10.4737 10.4835 11.4141 11.4258 12.5461 12.5498 k = 0.4236 0.4210 0.5486 ( 7870 PWs) bands (ev): -39.1924 -39.1924 -28.3657 -28.3657 -11.2688 -11.2668 -10.1789 -10.1782 -10.1067 -10.1033 -1.9499 -1.9497 4.3520 4.3655 4.7158 4.7452 4.9189 4.9373 7.2461 7.2819 10.5254 10.5363 11.2992 11.3099 12.5762 12.5779 k = 0.4167 0.4330 0.5486 ( 7862 PWs) bands (ev): -39.1924 -39.1924 -28.3656 -28.3656 -11.2690 -11.2669 -10.1779 -10.1771 -10.1089 -10.1051 -1.9501 -1.9500 4.3378 4.3519 4.7238 4.7560 4.9151 4.9340 7.2687 7.3075 10.5785 10.5904 11.1873 11.1968 12.6087 12.6087 k = 0.4097 0.4450 0.5486 ( 7870 PWs) bands (ev): -39.1924 -39.1924 -28.3656 -28.3656 -11.2693 -11.2670 -10.1768 -10.1759 -10.1110 -10.1069 -1.9504 -1.9502 4.3235 4.3382 4.7321 4.7669 4.9114 4.9305 7.2924 7.3342 10.6319 10.6449 11.0794 11.0878 12.6421 12.6437 k = 0.4028 0.4571 0.5486 ( 7870 PWs) bands (ev): -39.1924 -39.1924 -28.3655 -28.3655 -11.2695 -11.2671 -10.1757 -10.1746 -10.1132 -10.1088 -1.9506 -1.9504 4.3096 4.3248 4.7403 4.7776 4.9077 4.9270 7.3168 7.3614 10.6845 10.6987 10.9765 10.9835 12.6781 12.6811 k = 0.3958 0.4691 0.5486 ( 7880 PWs) bands (ev): -39.1924 -39.1924 -28.3655 -28.3655 -11.2697 -11.2673 -10.1745 -10.1734 -10.1153 -10.1106 -1.9509 -1.9506 4.2961 4.3117 4.7484 4.7882 4.9042 4.9233 7.3414 7.3888 10.7348 10.7507 10.8799 10.8851 12.7166 12.7209 k = 0.3889 0.4811 0.5486 ( 7872 PWs) bands (ev): -39.1924 -39.1924 -28.3654 -28.3654 -11.2700 -11.2674 -10.1735 -10.1721 -10.1174 -10.1124 -1.9511 -1.9509 4.2834 4.2993 4.7561 4.7983 4.9008 4.9197 7.3659 7.4158 10.7712 10.7930 10.8001 10.8011 12.7575 12.7631 k = 0.3819 0.4932 0.5486 ( 7886 PWs) bands (ev): -39.1924 -39.1924 -28.3653 -28.3653 -11.2702 -11.2675 -10.1724 -10.1709 -10.1194 -10.1142 -1.9513 -1.9511 4.2716 4.2878 4.7634 4.8079 4.8977 4.9163 7.3895 7.4418 10.7029 10.7092 10.8310 10.8451 12.8009 12.8074 k = 0.3750 0.5052 0.5486 ( 7894 PWs) bands (ev): -39.1924 -39.1924 -28.3653 -28.3653 -11.2704 -11.2676 -10.1714 -10.1698 -10.1213 -10.1158 -1.9515 -1.9513 4.2608 4.2772 4.7702 4.8167 4.8949 4.9129 7.4117 7.4662 10.6293 10.6337 10.8700 10.8856 12.8465 12.8538 k = 0.3681 0.5172 0.5486 ( 7898 PWs) bands (ev): -39.1924 -39.1924 -28.3652 -28.3652 -11.2705 -11.2677 -10.1706 -10.1687 -10.1230 -10.1172 -1.9517 -1.9515 4.2513 4.2679 4.7762 4.8247 4.8925 4.9099 7.4319 7.4884 10.5646 10.5678 10.9040 10.9206 12.8943 12.9020 k = 0.3611 0.5292 0.5486 ( 7904 PWs) bands (ev): -39.1924 -39.1924 -28.3652 -28.3652 -11.2707 -11.2678 -10.1698 -10.1678 -10.1245 -10.1185 -1.9519 -1.9516 4.2433 4.2599 4.7813 4.8316 4.8905 4.9072 7.4494 7.5077 10.5102 10.5123 10.9322 10.9494 12.9440 12.9517 k = 0.3542 0.5413 0.5486 ( 7908 PWs) bands (ev): -39.1924 -39.1924 -28.3652 -28.3652 -11.2708 -11.2679 -10.1692 -10.1670 -10.1257 -10.1195 -1.9520 -1.9518 4.2368 4.2535 4.7856 4.8373 4.8888 4.9049 7.4637 7.5233 10.4669 10.4682 10.9542 10.9718 12.9951 13.0021 k = 0.3472 0.5533 0.5486 ( 7898 PWs) bands (ev): -39.1924 -39.1924 -28.3651 -28.3651 -11.2709 -11.2680 -10.1687 -10.1664 -10.1266 -10.1202 -1.9522 -1.9519 4.2320 4.2488 4.7887 4.8417 4.8877 4.9031 7.4743 7.5349 10.4354 10.4361 10.9696 10.9875 13.0466 13.0512 k = 0.3403 0.5653 0.5486 ( 7898 PWs) bands (ev): -39.1924 -39.1924 -28.3651 -28.3651 -11.2710 -11.2680 -10.1685 -10.1661 -10.1272 -10.1207 -1.9522 -1.9520 4.2291 4.2459 4.7907 4.8444 4.8869 4.9020 7.4807 7.5420 10.4163 10.4166 10.9787 10.9968 13.0938 13.0947 k = 0.3333 0.5774 0.5486 ( 7902 PWs) bands (ev): -39.1924 -39.1924 -28.3651 -28.3651 -11.2710 -11.2681 -10.1684 -10.1660 -10.1274 -10.1208 -1.9522 -1.9520 4.2281 4.2449 4.7914 4.8454 4.8867 4.9016 7.4829 7.5444 10.4100 10.4101 10.9816 10.9998 13.1136 13.1206 k = 0.3333 0.5774 0.5486 ( 7902 PWs) bands (ev): -39.1924 -39.1924 -28.3651 -28.3651 -11.2710 -11.2681 -10.1684 -10.1660 -10.1274 -10.1208 -1.9522 -1.9520 4.2281 4.2449 4.7914 4.8454 4.8867 4.9016 7.4829 7.5444 10.4100 10.4101 10.9816 10.9998 13.1136 13.1206 k = 0.3264 0.5653 0.5486 ( 7898 PWs) bands (ev): -39.1924 -39.1924 -28.3651 -28.3651 -11.2710 -11.2680 -10.1685 -10.1661 -10.1272 -10.1207 -1.9522 -1.9520 4.2291 4.2459 4.7906 4.8443 4.8870 4.9020 7.4808 7.5421 10.4163 10.4166 10.9788 10.9969 13.0922 13.0928 k = 0.3194 0.5533 0.5486 ( 7896 PWs) bands (ev): -39.1924 -39.1924 -28.3652 -28.3652 -11.2709 -11.2680 -10.1687 -10.1664 -10.1267 -10.1202 -1.9521 -1.9519 4.2323 4.2491 4.7883 4.8412 4.8878 4.9034 7.4746 7.5353 10.4352 10.4359 10.9708 10.9887 13.0375 13.0428 k = 0.3125 0.5413 0.5486 ( 7888 PWs) bands (ev): -39.1924 -39.1924 -28.3652 -28.3652 -11.2708 -11.2679 -10.1691 -10.1669 -10.1258 -10.1195 -1.9520 -1.9517 4.2376 4.2544 4.7840 4.8357 4.8894 4.9056 7.4649 7.5245 10.4661 10.4675 10.9580 10.9757 12.9741 12.9819 k = 0.3056 0.5292 0.5486 ( 7900 PWs) bands (ev): -39.1924 -39.1924 -28.3652 -28.3652 -11.2706 -11.2678 -10.1696 -10.1675 -10.1246 -10.1185 -1.9518 -1.9515 4.2453 4.2620 4.7777 4.8277 4.8919 4.9089 7.4522 7.5103 10.5082 10.5105 10.9410 10.9585 12.9072 12.9156 k = 0.2986 0.5172 0.5486 ( 7908 PWs) bands (ev): -39.1924 -39.1924 -28.3653 -28.3653 -11.2704 -11.2676 -10.1701 -10.1682 -10.1232 -10.1173 -1.9515 -1.9512 4.2553 4.2720 4.7690 4.8171 4.8955 4.9133 7.4372 7.4937 10.5605 10.5639 10.9204 10.9375 12.8387 12.8468 k = 0.2917 0.5052 0.5486 ( 7900 PWs) bands (ev): -39.1924 -39.1924 -28.3653 -28.3653 -11.2701 -11.2673 -10.1707 -10.1689 -10.1216 -10.1159 -1.9511 -1.9509 4.2676 4.2843 4.7576 4.8037 4.9002 4.9188 7.4210 7.4754 10.6215 10.6264 10.8967 10.9133 12.7698 12.7772 k = 0.2847 0.4932 0.5486 ( 7900 PWs) bands (ev): -39.1924 -39.1924 -28.3654 -28.3654 -11.2697 -11.2670 -10.1713 -10.1696 -10.1198 -10.1143 -1.9507 -1.9504 4.2824 4.2990 4.7434 4.7873 4.9062 4.9255 7.4042 7.4564 10.6896 10.6962 10.8705 10.8864 12.7021 12.7082 k = 0.2778 0.4811 0.5486 ( 7896 PWs) bands (ev): -39.1924 -39.1924 -28.3655 -28.3655 -11.2693 -11.2667 -10.1720 -10.1703 -10.1178 -10.1125 -1.9502 -1.9499 4.2996 4.3162 4.7261 4.7679 4.9136 4.9335 7.3880 7.4376 10.7618 10.7712 10.8429 10.8572 12.6372 12.6417 k = 0.2708 0.4691 0.5486 ( 7892 PWs) bands (ev): -39.1924 -39.1924 -28.3656 -28.3656 -11.2688 -11.2663 -10.1725 -10.1710 -10.1158 -10.1106 -1.9495 -1.9493 4.3192 4.3358 4.7057 4.7452 4.9225 4.9428 7.3730 7.4200 10.8044 10.8251 10.8457 10.8502 12.5771 12.5797 k = 0.2639 0.4571 0.5486 ( 7898 PWs) bands (ev): -39.1924 -39.1924 -28.3658 -28.3658 -11.2683 -11.2658 -10.1731 -10.1716 -10.1135 -10.1086 -1.9489 -1.9486 4.3414 4.3578 4.6820 4.7192 4.9329 4.9536 7.3601 7.4044 10.7758 10.7928 10.9176 10.9274 12.5243 12.5250 k = 0.2569 0.4450 0.5486 ( 7902 PWs) bands (ev): -39.1924 -39.1924 -28.3659 -28.3659 -11.2676 -11.2653 -10.1736 -10.1722 -10.1112 -10.1065 -1.9481 -1.9479 4.3659 4.3823 4.6551 4.6899 4.9449 4.9658 7.3500 7.3915 10.7426 10.7586 10.9886 11.0010 12.4807 12.4813 k = 0.2500 0.4330 0.5486 ( 7902 PWs) bands (ev): -39.1924 -39.1924 -28.3661 -28.3661 -11.2669 -11.2647 -10.1740 -10.1727 -10.1088 -10.1043 -1.9472 -1.9470 4.3930 4.4093 4.6249 4.6573 4.9585 4.9796 7.3433 7.3819 10.7078 10.7233 11.0513 11.0660 12.4251 12.4294 k = 0.2431 0.4210 0.5486 ( 7898 PWs) bands (ev): -39.1924 -39.1924 -28.3662 -28.3662 -11.2662 -11.2640 -10.1743 -10.1731 -10.1063 -10.1020 -1.9462 -1.9460 4.4225 4.4386 4.5915 4.6215 4.9739 4.9950 7.3405 7.3763 10.6720 10.6870 11.1005 11.1172 12.3162 12.3170 k = 0.2361 0.4090 0.5486 ( 7890 PWs) bands (ev): -39.1924 -39.1924 -28.3664 -28.3664 -11.2654 -11.2633 -10.1746 -10.1734 -10.1037 -10.0996 -1.9452 -1.9450 4.4543 4.4700 4.5554 4.5826 4.9909 5.0120 7.3420 7.3749 10.6354 10.6499 11.1319 11.1503 12.2030 12.2030 k = 0.2292 0.3969 0.5486 ( 7886 PWs) bands (ev): -39.1924 -39.1924 -28.3666 -28.3666 -11.2645 -11.2626 -10.1748 -10.1736 -10.1010 -10.0971 -1.9441 -1.9439 4.4883 4.4993 4.5208 4.5411 5.0097 5.0308 7.3481 7.3783 10.5981 10.6122 11.1432 11.1624 12.0887 12.0891 k = 0.2222 0.3849 0.5486 ( 7886 PWs) bands (ev): -39.1924 -39.1924 -28.3668 -28.3668 -11.2636 -11.2618 -10.1749 -10.1738 -10.0983 -10.0945 -1.9429 -1.9427 4.4708 4.4947 4.5268 4.5435 5.0302 5.0512 7.3591 7.3866 10.5602 10.5739 11.1343 11.1537 11.9742 11.9750 k = 0.2153 0.3729 0.5486 ( 7894 PWs) bands (ev): -39.1924 -39.1924 -28.3671 -28.3671 -11.2626 -11.2609 -10.1749 -10.1738 -10.0954 -10.0919 -1.9416 -1.9414 4.4266 4.4484 4.5650 4.5818 5.0525 5.0734 7.3751 7.3999 10.5218 10.5351 11.1076 11.1266 11.8598 11.8609 k = 0.2083 0.3608 0.5486 ( 7906 PWs) bands (ev): -39.1924 -39.1924 -28.3673 -28.3673 -11.2616 -11.2600 -10.1749 -10.1739 -10.0925 -10.0892 -1.9402 -1.9401 4.3796 4.3992 4.6062 4.6228 5.0766 5.0974 7.3961 7.4185 10.4830 10.4959 11.0666 11.0847 11.7456 11.7469 k = 0.2014 0.3488 0.5486 ( 7908 PWs) bands (ev): -39.1925 -39.1924 -28.3676 -28.3676 -11.2605 -11.2590 -10.1748 -10.1738 -10.0896 -10.0864 -1.9388 -1.9387 4.3304 4.3481 4.6497 4.6662 5.1025 5.1232 7.4222 7.4423 10.4436 10.4561 11.0147 11.0319 11.6315 11.6332 k = 0.1944 0.3368 0.5486 ( 7904 PWs) bands (ev): -39.1925 -39.1925 -28.3678 -28.3678 -11.2594 -11.2580 -10.1747 -10.1737 -10.0865 -10.0836 -1.9374 -1.9373 4.2795 4.2954 4.6954 4.7118 5.1302 5.1507 7.4534 7.4712 10.4038 10.4159 10.9551 10.9712 11.5178 11.5197 k = 0.1875 0.3248 0.5486 ( 7912 PWs) bands (ev): -39.1925 -39.1925 -28.3681 -28.3681 -11.2582 -11.2570 -10.1745 -10.1736 -10.0834 -10.0807 -1.9359 -1.9358 4.2273 4.2414 4.7432 4.7595 5.1597 5.1799 7.4896 7.5053 10.3634 10.3752 10.8903 10.9052 11.4046 11.4068 k = 0.1806 0.3127 0.5486 ( 7914 PWs) bands (ev): -39.1925 -39.1925 -28.3684 -28.3684 -11.2571 -11.2559 -10.1742 -10.1734 -10.0802 -10.0777 -1.9343 -1.9342 4.1740 4.1864 4.7930 4.8093 5.1909 5.2110 7.5306 7.5445 10.3225 10.3340 10.8220 10.8359 11.2919 11.2943 k = 0.1736 0.3007 0.5486 ( 7910 PWs) bands (ev): -39.1925 -39.1925 -28.3686 -28.3686 -11.2559 -11.2548 -10.1740 -10.1732 -10.0770 -10.0747 -1.9327 -1.9326 4.1199 4.1309 4.8448 4.8609 5.2239 5.2437 7.5766 7.5887 10.2809 10.2920 10.7518 10.7647 11.1799 11.1826 k = 0.1667 0.2887 0.5486 ( 7918 PWs) bands (ev): -39.1925 -39.1925 -28.3689 -28.3689 -11.2547 -11.2538 -10.1737 -10.1730 -10.0737 -10.0716 -1.9311 -1.9310 4.0655 4.0751 4.8983 4.9144 5.2585 5.2780 7.6272 7.6377 10.2386 10.2494 10.6806 10.6926 11.0686 11.0717 k = 0.1597 0.2766 0.5486 ( 7918 PWs) bands (ev): -39.1925 -39.1925 -28.3692 -28.3692 -11.2535 -11.2527 -10.1734 -10.1727 -10.0704 -10.0685 -1.9295 -1.9294 4.0110 4.0194 4.9536 4.9695 5.2947 5.3139 7.6824 7.6914 10.1955 10.2060 10.6095 10.6207 10.9583 10.9617 k = 0.1528 0.2646 0.5486 ( 7918 PWs) bands (ev): -39.1925 -39.1925 -28.3695 -28.3695 -11.2523 -11.2515 -10.1731 -10.1725 -10.0671 -10.0653 -1.9279 -1.9278 3.9567 3.9640 5.0104 5.0262 5.3324 5.3513 7.7420 7.7497 10.1515 10.1616 10.5391 10.5495 10.8490 10.8528 k = 0.1458 0.2526 0.5486 ( 7910 PWs) bands (ev): -39.1925 -39.1925 -28.3698 -28.3698 -11.2511 -11.2504 -10.1728 -10.1722 -10.0637 -10.0622 -1.9263 -1.9262 3.9029 3.9092 5.0687 5.0844 5.3716 5.3901 7.8061 7.8126 10.1064 10.1163 10.4697 10.4795 10.7409 10.7450 k = 0.1389 0.2406 0.5486 ( 7914 PWs) bands (ev): -39.1925 -39.1925 -28.3701 -28.3701 -11.2499 -11.2493 -10.1724 -10.1719 -10.0603 -10.0589 -1.9246 -1.9246 3.8499 3.8553 5.1283 5.1437 5.4120 5.4302 7.8743 7.8797 10.0603 10.0698 10.4020 10.4112 10.6341 10.6387 k = 0.1319 0.2285 0.5486 ( 7914 PWs) bands (ev): -39.1925 -39.1925 -28.3704 -28.3704 -11.2488 -11.2483 -10.1721 -10.1717 -10.0570 -10.0557 -1.9231 -1.9230 3.7980 3.8025 5.1890 5.2042 5.4536 5.4714 7.9466 7.9511 10.0129 10.0222 10.3362 10.3450 10.5289 10.5339 k = 0.1250 0.2165 0.5486 ( 7918 PWs) bands (ev): -39.1925 -39.1925 -28.3706 -28.3706 -11.2477 -11.2472 -10.1718 -10.1714 -10.0536 -10.0525 -1.9215 -1.9214 3.7473 3.7511 5.2506 5.2655 5.4962 5.5135 8.0229 8.0265 9.9644 9.9734 10.2726 10.2810 10.4253 10.4309 k = 0.1181 0.2045 0.5486 ( 7918 PWs) bands (ev): -39.1925 -39.1925 -28.3709 -28.3709 -11.2466 -11.2462 -10.1715 -10.1712 -10.0503 -10.0494 -1.9200 -1.9199 3.6981 3.7012 5.3128 5.3275 5.5396 5.5564 8.1030 8.1059 9.9147 9.9235 10.2113 10.2196 10.3236 10.3299 k = 0.1111 0.1925 0.5486 ( 7914 PWs) bands (ev): -39.1925 -39.1925 -28.3712 -28.3712 -11.2455 -11.2452 -10.1713 -10.1710 -10.0470 -10.0462 -1.9185 -1.9185 3.6506 3.6532 5.3755 5.3899 5.5835 5.5998 8.1869 8.1890 9.8638 9.8724 10.1523 10.1609 10.2241 10.2316 k = 0.1042 0.1804 0.5486 ( 7914 PWs) bands (ev): -39.1926 -39.1926 -28.3715 -28.3715 -11.2445 -11.2442 -10.1710 -10.1707 -10.0438 -10.0432 -1.9170 -1.9170 3.6050 3.6072 5.4383 5.4523 5.6278 5.6435 8.2743 8.2759 9.8120 9.8203 10.0945 10.1049 10.1271 10.1372 k = 0.0972 0.1684 0.5486 ( 7918 PWs) bands (ev): -39.1926 -39.1926 -28.3717 -28.3717 -11.2435 -11.2433 -10.1707 -10.1705 -10.0407 -10.0402 -1.9157 -1.9157 3.5616 3.5633 5.5009 5.5145 5.6722 5.6873 8.3652 8.3663 9.7594 9.7675 10.0281 10.0319 10.0529 10.0571 k = 0.0903 0.1564 0.5486 ( 7918 PWs) bands (ev): -39.1926 -39.1926 -28.3720 -28.3720 -11.2426 -11.2424 -10.1705 -10.1704 -10.0377 -10.0373 -1.9144 -1.9144 3.5204 3.5217 5.5630 5.5760 5.7164 5.7308 8.4594 8.4600 9.7064 9.7143 9.9405 9.9432 10.0017 10.0032 k = 0.0833 0.1443 0.5486 ( 7914 PWs) bands (ev): -39.1926 -39.1926 -28.3722 -28.3722 -11.2417 -11.2416 -10.1703 -10.1702 -10.0349 -10.0345 -1.9131 -1.9131 3.4816 3.4827 5.6241 5.6365 5.7600 5.7736 8.5567 8.5570 9.6534 9.6611 9.8524 9.8566 9.9544 9.9570 k = 0.0764 0.1323 0.5486 ( 7926 PWs) bands (ev): -39.1926 -39.1926 -28.3724 -28.3724 -11.2409 -11.2408 -10.1701 -10.1700 -10.0321 -10.0319 -1.9120 -1.9120 3.4454 3.4463 5.6837 5.6954 5.8028 5.8155 8.6569 8.6569 9.6009 9.6083 9.7679 9.7729 9.9115 9.9142 k = 0.0694 0.1203 0.5486 ( 7930 PWs) bands (ev): -39.1926 -39.1926 -28.3726 -28.3726 -11.2402 -11.2401 -10.1700 -10.1699 -10.0296 -10.0294 -1.9109 -1.9109 3.4120 3.4126 5.7413 5.7523 5.8443 5.8560 8.7597 8.7599 9.5496 9.5567 9.6877 9.6930 9.8722 9.8749 k = 0.0625 0.1083 0.5486 ( 7938 PWs) bands (ev): -39.1926 -39.1926 -28.3728 -28.3728 -11.2395 -11.2395 -10.1698 -10.1698 -10.0272 -10.0271 -1.9099 -1.9099 3.3813 3.3818 5.7963 5.8064 5.8841 5.8948 8.8648 8.8653 9.5000 9.5068 9.6123 9.6176 9.8367 9.8391 k = 0.0556 0.0962 0.5486 ( 7942 PWs) bands (ev): -39.1926 -39.1926 -28.3730 -28.3730 -11.2389 -11.2389 -10.1697 -10.1697 -10.0251 -10.0249 -1.9090 -1.9090 3.3536 3.3539 5.8482 5.8572 5.9219 5.9313 8.9721 8.9726 9.4530 9.4593 9.5422 9.5475 9.8048 9.8070 k = 0.0486 0.0842 0.5486 ( 7942 PWs) bands (ev): -39.1926 -39.1926 -28.3731 -28.3731 -11.2384 -11.2383 -10.1696 -10.1696 -10.0231 -10.0230 -1.9082 -1.9082 3.3289 3.3291 5.8961 5.9038 5.9572 5.9653 9.0808 9.0815 9.4092 9.4150 9.4781 9.4832 9.7765 9.7785 k = 0.0417 0.0722 0.5486 ( 7930 PWs) bands (ev): -39.1926 -39.1926 -28.3733 -28.3733 -11.2379 -11.2379 -10.1695 -10.1695 -10.0214 -10.0213 -1.9076 -1.9076 3.3074 3.3075 5.9392 5.9455 5.9898 5.9963 9.1902 9.1909 9.3695 9.3747 9.4208 9.4256 9.7521 9.7537 k = 0.0347 0.0601 0.5486 ( 7912 PWs) bands (ev): -39.1926 -39.1926 -28.3734 -28.3734 -11.2375 -11.2375 -10.1694 -10.1694 -10.0199 -10.0199 -1.9070 -1.9070 3.2890 3.2891 5.9768 5.9814 6.0192 6.0239 9.2979 9.2989 9.3348 9.3397 9.3714 9.3758 9.7314 9.7328 k = 0.0278 0.0481 0.5486 ( 7908 PWs) bands (ev): -39.1926 -39.1926 -28.3735 -28.3735 -11.2372 -11.2372 -10.1694 -10.1694 -10.0187 -10.0187 -1.9065 -1.9065 3.2739 3.2739 6.0081 6.0109 6.0450 6.0479 9.3042 9.3073 9.3286 9.3314 9.4073 9.4081 9.7146 9.7157 k = 0.0208 0.0361 0.5486 ( 7908 PWs) bands (ev): -39.1926 -39.1926 -28.3735 -28.3735 -11.2369 -11.2369 -10.1693 -10.1693 -10.0177 -10.0177 -1.9061 -1.9061 3.2621 3.2621 6.0325 6.0338 6.0664 6.0678 9.2801 9.2822 9.2965 9.2985 9.5068 9.5074 9.7019 9.7027 k = 0.0139 0.0241 0.5486 ( 7908 PWs) bands (ev): -39.1926 -39.1926 -28.3736 -28.3736 -11.2367 -11.2367 -10.1693 -10.1693 -10.0170 -10.0170 -1.9058 -1.9058 3.2536 3.2536 6.0496 6.0500 6.0825 6.0829 9.2619 9.2628 9.2740 9.2748 9.5933 9.5938 9.6939 9.6944 k = 0.0069 0.0120 0.5486 ( 7908 PWs) bands (ev): -39.1926 -39.1926 -28.3736 -28.3736 -11.2366 -11.2366 -10.1693 -10.1693 -10.0166 -10.0166 -1.9057 -1.9057 3.2485 3.2485 6.0597 6.0598 6.0924 6.0924 9.2501 9.2502 9.2610 9.2611 9.6517 9.6519 9.6938 9.6940 k = 0.0000 0.0000 0.5486 ( 7908 PWs) bands (ev): -39.1926 -39.1926 -28.3736 -28.3736 -11.2366 -11.2366 -10.1693 -10.1693 -10.0165 -10.0165 -1.9056 -1.9056 3.2468 3.2468 6.0630 6.0630 6.0957 6.0957 9.2459 9.2459 9.2568 9.2568 9.6671 9.6671 9.7008 9.7008 k = 0.5000 0.2887 0.5486 ( 7888 PWs) bands (ev): -39.1924 -39.1924 -28.3661 -28.3661 -11.2668 -11.2668 -10.1852 -10.1852 -10.0930 -10.0930 -1.9485 -1.9485 4.4529 4.4529 4.6693 4.6693 4.9501 4.9501 7.1249 7.1249 10.1861 10.1861 12.3465 12.3465 12.3963 12.3963 k = 0.5000 0.2887 0.5349 ( 7904 PWs) bands (ev): -39.1924 -39.1924 -28.3661 -28.3661 -11.2669 -11.2665 -10.1854 -10.1846 -10.0931 -10.0929 -1.9493 -1.9483 4.4464 4.4486 4.6715 4.6781 4.9508 4.9509 7.1256 7.1294 10.1812 10.1827 12.3423 12.3441 12.3980 12.3981 k = 0.5000 0.2887 0.5212 ( 7904 PWs) bands (ev): -39.1924 -39.1924 -28.3662 -28.3662 -11.2669 -11.2661 -10.1853 -10.1837 -10.0933 -10.0928 -1.9505 -1.9486 4.4310 4.4342 4.6841 4.6961 4.9528 4.9530 7.1315 7.1390 10.1684 10.1711 12.3295 12.3346 12.4036 12.4054 k = 0.5000 0.2887 0.5075 ( 7900 PWs) bands (ev): -39.1924 -39.1924 -28.3662 -28.3662 -11.2667 -11.2656 -10.1850 -10.1826 -10.0935 -10.0927 -1.9523 -1.9493 4.4094 4.4123 4.7047 4.7206 4.9562 4.9565 7.1424 7.1536 10.1480 10.1519 12.3074 12.3163 12.4146 12.4190 k = 0.5000 0.2887 0.4937 ( 7900 PWs) bands (ev): -39.1924 -39.1924 -28.3664 -28.3664 -11.2664 -11.2648 -10.1843 -10.1811 -10.0937 -10.0927 -1.9545 -1.9506 4.3838 4.3853 4.7307 4.7495 4.9610 4.9614 7.1584 7.1731 10.1206 10.1256 12.2770 12.2894 12.4308 12.4377 k = 0.5000 0.2887 0.4800 ( 7900 PWs) bands (ev): -39.1924 -39.1924 -28.3666 -28.3666 -11.2659 -11.2640 -10.1833 -10.1794 -10.0939 -10.0927 -1.9572 -1.9523 4.3550 4.3555 4.7606 4.7814 4.9672 4.9675 7.1790 7.1971 10.0873 10.0931 12.2399 12.2551 12.4507 12.4596 k = 0.5000 0.2887 0.4663 ( 7892 PWs) bands (ev): -39.1924 -39.1924 -28.3668 -28.3668 -11.2652 -11.2630 -10.1821 -10.1774 -10.0940 -10.0926 -1.9603 -1.9546 4.3225 4.3253 4.7935 4.8157 4.9747 4.9750 7.2041 7.2254 10.0489 10.0552 12.1976 12.2148 12.4724 12.4826 k = 0.5000 0.2887 0.4526 ( 7900 PWs) bands (ev): -39.1924 -39.1924 -28.3670 -28.3670 -11.2645 -11.2619 -10.1806 -10.1752 -10.0942 -10.0925 -1.9639 -1.9573 4.2884 4.2937 4.8288 4.8522 4.9836 4.9838 7.2334 7.2577 10.0065 10.0132 12.1515 12.1700 12.4936 12.5043 k = 0.5000 0.2887 0.4389 ( 7896 PWs) bands (ev): -39.1924 -39.1924 -28.3673 -28.3673 -11.2636 -11.2607 -10.1789 -10.1728 -10.0942 -10.0923 -1.9679 -1.9605 4.2531 4.2609 4.8663 4.8905 4.9938 4.9938 7.2664 7.2935 9.9612 9.9680 12.1028 12.1221 12.5119 12.5217 k = 0.5000 0.2887 0.4252 ( 7896 PWs) bands (ev): -39.1924 -39.1924 -28.3676 -28.3676 -11.2626 -11.2594 -10.1771 -10.1703 -10.0941 -10.0921 -1.9723 -1.9641 4.2169 4.2272 4.9057 4.9305 5.0052 5.0055 7.3027 7.3323 9.9142 9.9208 12.0525 12.0723 12.5242 12.5315 k = 0.5000 0.2887 0.4115 ( 7898 PWs) bands (ev): -39.1924 -39.1924 -28.3679 -28.3679 -11.2615 -11.2580 -10.1751 -10.1678 -10.0938 -10.0916 -1.9770 -1.9681 4.1800 4.1927 4.9465 4.9720 5.0180 5.0190 7.3418 7.3737 9.8665 9.8727 12.0016 12.0216 12.5278 12.5306 k = 0.5000 0.2887 0.3977 ( 7894 PWs) bands (ev): -39.1924 -39.1924 -28.3683 -28.3683 -11.2602 -11.2565 -10.1730 -10.1652 -10.0934 -10.0910 -1.9821 -1.9725 4.1425 4.1576 4.9875 5.0127 5.0346 5.0354 7.3831 7.4171 9.8193 9.8249 11.9506 11.9707 12.5172 12.5207 k = 0.5000 0.2887 0.3840 ( 7882 PWs) bands (ev): -39.1924 -39.1924 -28.3687 -28.3687 -11.2590 -11.2550 -10.1710 -10.1627 -10.0926 -10.0902 -1.9875 -1.9772 4.1048 4.1219 5.0236 5.0395 5.0597 5.0679 7.4259 7.4617 9.7736 9.7784 11.9003 11.9202 12.4919 12.5020 k = 0.5000 0.2887 0.3703 ( 7882 PWs) bands (ev): -39.1925 -39.1925 -28.3691 -28.3691 -11.2576 -11.2535 -10.1689 -10.1604 -10.0915 -10.0891 -1.9932 -1.9823 4.0668 4.0859 5.0485 5.0564 5.0983 5.1139 7.4695 7.5070 9.7306 9.7345 11.8509 11.8706 12.4577 12.4715 k = 0.5000 0.2887 0.3566 ( 7882 PWs) bands (ev): -39.1925 -39.1925 -28.3695 -28.3695 -11.2562 -11.2519 -10.1670 -10.1583 -10.0899 -10.0876 -1.9991 -1.9877 4.0287 4.0496 5.0675 5.0727 5.1455 5.1633 7.5132 7.5521 9.6913 9.6941 11.8029 11.8224 12.4173 12.4324 k = 0.5000 0.2887 0.3429 ( 7878 PWs) bands (ev): -39.1925 -39.1925 -28.3700 -28.3700 -11.2547 -11.2503 -10.1652 -10.1564 -10.0879 -10.0858 -2.0052 -1.9934 3.9908 4.0132 5.0854 5.0894 5.1965 5.2148 7.5561 7.5961 9.6569 9.6586 11.7565 11.7757 12.3725 12.3899 k = 0.5000 0.2887 0.3292 ( 7898 PWs) bands (ev): -39.1925 -39.1925 -28.3704 -28.3704 -11.2532 -11.2486 -10.1636 -10.1549 -10.0854 -10.0836 -2.0114 -1.9993 3.9530 3.9767 5.1032 5.1065 5.2501 5.2682 7.5973 7.6382 9.6286 9.6290 11.7119 11.7307 12.3243 12.3433 k = 0.5000 0.2887 0.3155 ( 7900 PWs) bands (ev): -39.1925 -39.1925 -28.3709 -28.3709 -11.2517 -11.2470 -10.1623 -10.1538 -10.0824 -10.0809 -2.0178 -2.0054 3.9156 3.9404 5.1212 5.1241 5.3058 5.3235 7.6359 7.6774 9.6065 9.6073 11.6692 11.6877 12.2737 12.2936 k = 0.5000 0.2887 0.3017 ( 7896 PWs) bands (ev): -39.1925 -39.1925 -28.3714 -28.3714 -11.2502 -11.2455 -10.1612 -10.1530 -10.0789 -10.0778 -2.0243 -2.0116 3.8787 3.9044 5.1395 5.1421 5.3634 5.3805 7.6711 7.7128 9.5921 9.5942 11.6287 11.6468 12.2216 12.2419 k = 0.5000 0.2887 0.2880 ( 7894 PWs) bands (ev): -39.1925 -39.1925 -28.3719 -28.3719 -11.2487 -11.2439 -10.1604 -10.1526 -10.0749 -10.0744 -2.0308 -2.0180 3.8425 3.8687 5.1580 5.1604 5.4226 5.4389 7.7019 7.7435 9.5869 9.5901 11.5903 11.6080 12.1687 12.1893 k = 0.5000 0.2887 0.2743 ( 7882 PWs) bands (ev): -39.1925 -39.1925 -28.3724 -28.3724 -11.2472 -11.2424 -10.1599 -10.1526 -10.0706 -10.0705 -2.0374 -2.0245 3.8069 3.8336 5.1766 5.1788 5.4833 5.4988 7.7278 7.7688 9.5917 9.5958 11.5541 11.5714 12.1155 12.1363 k = 0.5000 0.2887 0.2606 ( 7882 PWs) bands (ev): -39.1925 -39.1925 -28.3729 -28.3729 -11.2457 -11.2409 -10.1596 -10.1528 -10.0663 -10.0659 -2.0439 -2.0310 3.7723 3.7991 5.1953 5.1974 5.5452 5.5599 7.7482 7.7884 9.6069 9.6118 11.5202 11.5371 12.0624 12.0832 k = 0.5000 0.2887 0.2469 ( 7882 PWs) bands (ev): -39.1925 -39.1925 -28.3734 -28.3734 -11.2442 -11.2395 -10.1595 -10.1532 -10.0618 -10.0610 -2.0503 -2.0375 3.7386 3.7653 5.2140 5.2158 5.6081 5.6220 7.7630 7.8019 9.6329 9.6383 11.4886 11.5050 12.0094 12.0303 k = 0.5000 0.2887 0.2332 ( 7888 PWs) bands (ev): -39.1926 -39.1926 -28.3739 -28.3739 -11.2428 -11.2382 -10.1597 -10.1538 -10.0570 -10.0559 -2.0566 -2.0440 3.7060 3.7325 5.2324 5.2341 5.6718 5.6848 7.7722 7.8094 9.6695 9.6754 11.4593 11.4752 11.9569 11.9776 k = 0.5000 0.2887 0.2194 ( 7888 PWs) bands (ev): -39.1926 -39.1926 -28.3743 -28.3743 -11.2414 -11.2369 -10.1600 -10.1546 -10.0521 -10.0507 -2.0628 -2.0505 3.6747 3.7007 5.2506 5.2522 5.7360 5.7480 7.7760 7.8113 9.7163 9.7226 11.4323 11.4477 11.9046 11.9252 k = 0.5000 0.2887 0.2057 ( 7892 PWs) bands (ev): -39.1926 -39.1926 -28.3748 -28.3748 -11.2401 -11.2357 -10.1604 -10.1555 -10.0472 -10.0455 -2.0688 -2.0568 3.6447 3.6701 5.2684 5.2698 5.8003 5.8114 7.7750 7.8081 9.7728 9.7793 11.4075 11.4223 11.8528 11.8731 k = 0.5000 0.2887 0.1920 ( 7892 PWs) bands (ev): -39.1926 -39.1926 -28.3753 -28.3753 -11.2388 -11.2346 -10.1609 -10.1564 -10.0422 -10.0403 -2.0745 -2.0629 3.6161 3.6407 5.2856 5.2870 5.8644 5.8746 7.7697 7.8005 9.8382 9.8449 11.3850 11.3992 11.8013 11.8213 k = 0.5000 0.2887 0.1783 ( 7888 PWs) bands (ev): -39.1926 -39.1926 -28.3757 -28.3757 -11.2376 -11.2336 -10.1615 -10.1575 -10.0372 -10.0352 -2.0800 -2.0689 3.5891 3.6127 5.3023 5.3035 5.9279 5.9373 7.7610 7.7893 9.9115 9.9184 11.3646 11.3781 11.7501 11.7697 k = 0.5000 0.2887 0.1646 ( 7896 PWs) bands (ev): -39.1926 -39.1926 -28.3761 -28.3761 -11.2365 -11.2327 -10.1622 -10.1585 -10.0323 -10.0302 -2.0852 -2.0747 3.5638 3.5862 5.3182 5.3193 5.9904 5.9988 7.7495 7.7753 9.9918 9.9990 11.3463 11.3591 11.6994 11.7186 k = 0.5000 0.2887 0.1509 ( 7894 PWs) bands (ev): -39.1926 -39.1926 -28.3765 -28.3765 -11.2354 -11.2318 -10.1628 -10.1595 -10.0276 -10.0255 -2.0901 -2.0801 3.5402 3.5612 5.3333 5.3343 6.0514 6.0589 7.7360 7.7592 10.0780 10.0857 11.3301 11.3420 11.6491 11.6679 k = 0.5000 0.2887 0.1372 ( 7894 PWs) bands (ev): -39.1926 -39.1926 -28.3769 -28.3769 -11.2344 -11.2311 -10.1635 -10.1605 -10.0231 -10.0210 -2.0946 -2.0853 3.5185 3.5380 5.3475 5.3484 6.1103 6.1170 7.7211 7.7418 10.1693 10.1776 11.3158 11.3269 11.5996 11.6179 k = 0.5000 0.2887 0.1234 ( 7890 PWs) bands (ev): -39.1926 -39.1926 -28.3772 -28.3772 -11.2335 -11.2304 -10.1641 -10.1615 -10.0188 -10.0168 -2.0987 -2.0902 3.4986 3.5166 5.3606 5.3614 6.1666 6.1724 7.7054 7.7237 10.2647 10.2736 11.3034 11.3134 11.5512 11.5691 k = 0.5000 0.2887 0.1097 ( 7892 PWs) bands (ev): -39.1926 -39.1926 -28.3775 -28.3775 -11.2326 -11.2299 -10.1647 -10.1624 -10.0148 -10.0129 -2.1024 -2.0947 3.4808 3.4971 5.3726 5.3733 6.2197 6.2247 7.6896 7.7056 10.3630 10.3728 11.2927 11.3017 11.5042 11.5218 k = 0.5000 0.2887 0.0960 ( 7896 PWs) bands (ev): -39.1926 -39.1926 -28.3778 -28.3778 -11.2318 -11.2294 -10.1652 -10.1632 -10.0112 -10.0095 -2.1056 -2.0988 3.4650 3.4795 5.3834 5.3840 6.2689 6.2731 7.6743 7.6879 10.4634 10.4742 11.2837 11.2915 11.4592 11.4766 k = 0.5000 0.2887 0.0823 ( 7898 PWs) bands (ev): -39.1926 -39.1926 -28.3780 -28.3780 -11.2311 -11.2290 -10.1657 -10.1640 -10.0080 -10.0064 -2.1084 -2.1025 3.4514 3.4640 5.3930 5.3935 6.3135 6.3170 7.6598 7.6712 10.5645 10.5764 11.2762 11.2827 11.4168 11.4342 k = 0.5000 0.2887 0.0686 ( 7910 PWs) bands (ev): -39.1926 -39.1926 -28.3782 -28.3782 -11.2305 -11.2287 -10.1661 -10.1647 -10.0051 -10.0038 -2.1107 -2.1057 3.4399 3.4505 5.4011 5.4016 6.3529 6.3557 7.6466 7.6559 10.6648 10.6780 11.2701 11.2752 11.3772 11.3948 k = 0.5000 0.2887 0.0549 ( 7898 PWs) bands (ev): -39.1926 -39.1926 -28.3784 -28.3784 -11.2299 -11.2285 -10.1664 -10.1653 -10.0028 -10.0017 -2.1125 -2.1085 3.4307 3.4392 5.4079 5.4083 6.3863 6.3884 7.6353 7.6426 10.7626 10.7770 11.2653 11.2688 11.3408 11.3588 k = 0.5000 0.2887 0.0411 ( 7888 PWs) bands (ev): -39.1926 -39.1926 -28.3785 -28.3785 -11.2295 -11.2284 -10.1666 -10.1658 -10.0009 -10.0000 -2.1138 -2.1108 3.4237 3.4302 5.4133 5.4135 6.4131 6.4147 7.6262 7.6316 10.8549 10.8702 11.2614 11.2632 11.3075 11.3259 k = 0.5000 0.2887 0.0274 ( 7892 PWs) bands (ev): -39.1926 -39.1926 -28.3786 -28.3786 -11.2291 -11.2284 -10.1668 -10.1662 -9.9994 -9.9989 -2.1146 -2.1126 3.4190 3.4233 5.4171 5.4173 6.4328 6.4338 7.6196 7.6232 10.9374 10.9522 11.2569 11.2575 11.2790 11.2963 k = 0.5000 0.2887 0.0137 ( 7896 PWs) bands (ev): -39.1926 -39.1926 -28.3787 -28.3787 -11.2288 -11.2284 -10.1668 -10.1665 -9.9985 -9.9982 -2.1149 -2.1139 3.4166 3.4188 5.4195 5.4195 6.4449 6.4454 7.6159 7.6177 11.0019 11.0125 11.2447 11.2484 11.2657 11.2742 k = 0.5000 0.2887-0.0000 ( 7894 PWs) bands (ev): -39.1926 -39.1926 -28.3787 -28.3787 -11.2286 -11.2286 -10.1667 -10.1667 -9.9981 -9.9981 -2.1146 -2.1146 3.4166 3.4166 5.4203 5.4203 6.4491 6.4491 7.6152 7.6152 11.0323 11.0323 11.2380 11.2380 11.2658 11.2658 k = 0.3333 0.5774-0.0000 ( 7866 PWs) bands (ev): -39.1926 -39.1926 -28.3777 -28.3777 -11.2427 -11.2249 -10.1928 -10.1576 -10.0140 -10.0043 -2.0430 -2.0099 3.6215 3.6381 4.4597 4.5015 6.5163 6.5194 9.2287 9.2559 9.5889 9.6029 10.1275 10.1332 10.6539 10.6798 k = 0.3333 0.5774 0.0137 ( 7872 PWs) bands (ev): -39.1926 -39.1926 -28.3777 -28.3777 -11.2428 -11.2250 -10.1927 -10.1576 -10.0143 -10.0046 -2.0429 -2.0098 3.6232 3.6397 4.4595 4.5011 6.5121 6.5153 9.2086 9.2330 9.6131 9.6244 10.1297 10.1354 10.6598 10.6858 k = 0.3333 0.5774 0.0274 ( 7866 PWs) bands (ev): -39.1926 -39.1926 -28.3777 -28.3777 -11.2428 -11.2251 -10.1924 -10.1574 -10.0151 -10.0054 -2.0425 -2.0095 3.6282 3.6447 4.4586 4.5000 6.4994 6.5028 9.1581 9.1774 9.6724 9.6789 10.1363 10.1419 10.6775 10.7037 k = 0.3333 0.5774 0.0411 ( 7872 PWs) bands (ev): -39.1926 -39.1926 -28.3776 -28.3776 -11.2430 -11.2254 -10.1919 -10.1571 -10.0164 -10.0068 -2.0418 -2.0090 3.6365 3.6531 4.4572 4.4981 6.4785 6.4824 9.0922 9.1070 9.7489 9.7515 10.1472 10.1529 10.7067 10.7332 k = 0.3333 0.5774 0.0549 ( 7878 PWs) bands (ev): -39.1926 -39.1926 -28.3774 -28.3774 -11.2432 -11.2257 -10.1912 -10.1567 -10.0183 -10.0087 -2.0409 -2.0084 3.6481 3.6647 4.4553 4.4955 6.4500 6.4544 9.0197 9.0308 9.8335 9.8337 10.1625 10.1683 10.7468 10.7738 k = 0.3333 0.5774 0.0686 ( 7878 PWs) bands (ev): -39.1926 -39.1926 -28.3773 -28.3773 -11.2434 -11.2262 -10.1904 -10.1562 -10.0206 -10.0112 -2.0397 -2.0076 3.6629 3.6795 4.4528 4.4922 6.4143 6.4195 8.9445 8.9525 9.9208 9.9229 10.1821 10.1880 10.7972 10.8247 k = 0.3333 0.5774 0.0823 ( 7881 PWs) bands (ev): -39.1926 -39.1926 -28.3770 -28.3770 -11.2437 -11.2268 -10.1893 -10.1556 -10.0235 -10.0141 -2.0382 -2.0067 3.6808 3.6975 4.4497 4.4882 6.3721 6.3782 8.8687 8.8740 10.0114 10.0148 10.2060 10.2121 10.8570 10.8853 k = 0.3333 0.5774 0.0960 ( 7887 PWs) bands (ev): -39.1926 -39.1926 -28.3768 -28.3768 -11.2440 -11.2274 -10.1881 -10.1549 -10.0268 -10.0175 -2.0365 -2.0055 3.7019 3.7186 4.4462 4.4835 6.3243 6.3313 8.7934 8.7960 10.1042 10.1083 10.2341 10.2408 10.9255 10.9545 k = 0.3333 0.5774 0.1097 ( 7887 PWs) bands (ev): -39.1926 -39.1926 -28.3765 -28.3765 -11.2444 -11.2282 -10.1867 -10.1541 -10.0305 -10.0214 -2.0346 -2.0043 3.7260 3.7427 4.4421 4.4782 6.2714 6.2796 8.7191 8.7192 10.1986 10.2019 10.2664 10.2748 11.0016 11.0315 k = 0.3333 0.5774 0.1234 ( 7896 PWs) bands (ev): -39.1926 -39.1926 -28.3762 -28.3762 -11.2449 -11.2290 -10.1851 -10.1532 -10.0347 -10.0256 -2.0325 -2.0029 3.7529 3.7696 4.4375 4.4721 6.2144 6.2238 8.6440 8.6463 10.2883 10.2942 10.3027 10.3212 11.0845 11.1152 k = 0.3333 0.5774 0.1372 ( 7881 PWs) bands (ev): -39.1926 -39.1926 -28.3759 -28.3759 -11.2454 -11.2300 -10.1834 -10.1523 -10.0392 -10.0303 -2.0301 -2.0013 3.7826 3.7994 4.4324 4.4655 6.1539 6.1646 8.5704 8.5752 10.3428 10.3431 10.3908 10.4041 11.1730 11.2047 k = 0.3333 0.5774 0.1509 ( 7869 PWs) bands (ev): -39.1926 -39.1926 -28.3755 -28.3755 -11.2460 -11.2310 -10.1815 -10.1512 -10.0440 -10.0353 -2.0275 -1.9996 3.8150 3.8318 4.4269 4.4582 6.0907 6.1028 8.4988 8.5061 10.3873 10.3891 10.4880 10.4997 11.2662 11.2988 k = 0.3333 0.5774 0.1646 ( 7878 PWs) bands (ev): -39.1926 -39.1926 -28.3751 -28.3751 -11.2466 -11.2322 -10.1795 -10.1501 -10.0492 -10.0407 -2.0248 -1.9978 3.8498 3.8667 4.4209 4.4504 6.0253 6.0389 8.4293 8.4390 10.4352 10.4376 10.5858 10.5971 11.3631 11.3967 k = 0.3333 0.5774 0.1783 ( 7872 PWs) bands (ev): -39.1925 -39.1925 -28.3747 -28.3747 -11.2473 -11.2334 -10.1774 -10.1489 -10.0546 -10.0463 -2.0219 -1.9959 3.8871 3.9040 4.4146 4.4420 5.9586 5.9736 8.3620 8.3742 10.4865 10.4891 10.6840 10.6953 11.4626 11.4972 k = 0.3333 0.5774 0.1920 ( 7866 PWs) bands (ev): -39.1925 -39.1925 -28.3743 -28.3743 -11.2481 -11.2347 -10.1751 -10.1476 -10.0602 -10.0521 -2.0188 -1.9939 3.9264 3.9434 4.4078 4.4332 5.8909 5.9075 8.2969 8.3117 10.5410 10.5435 10.7825 10.7938 11.5636 11.5989 k = 0.3333 0.5774 0.2057 ( 7863 PWs) bands (ev): -39.1925 -39.1925 -28.3738 -28.3738 -11.2489 -11.2361 -10.1728 -10.1463 -10.0660 -10.0581 -2.0156 -1.9919 3.9678 3.9847 4.4008 4.4239 5.8228 5.8410 8.2342 8.2516 10.5981 10.6006 10.8812 10.8925 11.6643 11.6997 k = 0.3333 0.5774 0.2194 ( 7863 PWs) bands (ev): -39.1925 -39.1925 -28.3734 -28.3734 -11.2498 -11.2375 -10.1704 -10.1450 -10.0720 -10.0643 -2.0123 -1.9897 4.0110 4.0279 4.3934 4.4142 5.7548 5.7746 8.1739 8.1939 10.6573 10.6596 10.9801 10.9914 11.7612 11.7933 k = 0.3333 0.5774 0.2332 ( 7872 PWs) bands (ev): -39.1925 -39.1925 -28.3729 -28.3729 -11.2508 -11.2391 -10.1680 -10.1436 -10.0780 -10.0706 -2.0089 -1.9875 4.0557 4.0726 4.3859 4.4041 5.6873 5.7087 8.1162 8.1388 10.7178 10.7198 11.0790 11.0904 11.8375 11.8423 k = 0.3333 0.5774 0.2469 ( 7866 PWs) bands (ev): -39.1925 -39.1925 -28.3724 -28.3724 -11.2517 -11.2406 -10.1655 -10.1422 -10.0841 -10.0770 -2.0055 -1.9853 4.1018 4.1186 4.3781 4.3938 5.6207 5.6437 8.0609 8.0861 10.7784 10.7801 11.1779 11.1894 11.8036 11.8337 k = 0.3333 0.5774 0.2606 ( 7866 PWs) bands (ev): -39.1925 -39.1925 -28.3719 -28.3719 -11.2528 -11.2423 -10.1629 -10.1407 -10.0902 -10.0834 -2.0019 -1.9830 4.1491 4.1655 4.3704 4.3833 5.5553 5.5799 8.0082 8.0360 10.8373 10.8386 11.2768 11.2883 11.7411 11.7768 k = 0.3333 0.5774 0.2743 ( 7872 PWs) bands (ev): -39.1925 -39.1925 -28.3714 -28.3714 -11.2539 -11.2439 -10.1603 -10.1393 -10.0963 -10.0898 -1.9984 -1.9808 4.1972 4.2130 4.3628 4.3725 5.4913 5.5176 7.9580 7.9885 10.8921 10.8931 11.3756 11.3872 11.6763 11.7121 k = 0.3333 0.5774 0.2880 ( 7884 PWs) bands (ev): -39.1925 -39.1925 -28.3709 -28.3709 -11.2550 -11.2456 -10.1578 -10.1379 -10.1024 -10.0961 -1.9948 -1.9785 4.2459 4.2601 4.3562 4.3617 5.4292 5.4571 7.9105 7.9435 10.9396 10.9401 11.4741 11.4859 11.6126 11.6477 k = 0.3333 0.5774 0.3017 ( 7845 PWs) bands (ev): -39.1925 -39.1925 -28.3705 -28.3705 -11.2561 -11.2474 -10.1552 -10.1364 -10.1083 -10.1023 -1.9913 -1.9762 4.2950 4.3032 4.3509 4.3538 5.3690 5.3986 7.8655 7.9011 10.9755 10.9757 11.5510 11.5664 11.5845 11.5911 k = 0.3333 0.5774 0.3155 ( 7866 PWs) bands (ev): -39.1925 -39.1925 -28.3700 -28.3700 -11.2573 -11.2491 -10.1527 -10.1350 -10.1141 -10.1084 -1.9878 -1.9740 4.3237 4.3401 4.3441 4.3743 5.3111 5.3422 7.8231 7.8612 10.9954 10.9954 11.4919 11.5226 11.6730 11.6828 k = 0.3333 0.5774 0.3292 ( 7878 PWs) bands (ev): -39.1925 -39.1925 -28.3695 -28.3695 -11.2585 -11.2508 -10.1502 -10.1336 -10.1197 -10.1143 -1.9843 -1.9718 4.3214 4.3294 4.3930 4.4173 5.2557 5.2883 7.7833 7.8238 10.9962 10.9963 11.4356 11.4653 11.7710 11.7807 k = 0.3333 0.5774 0.3429 ( 7878 PWs) bands (ev): -39.1924 -39.1924 -28.3690 -28.3690 -11.2597 -11.2525 -10.1478 -10.1322 -10.1251 -10.1200 -1.9809 -1.9697 4.3149 4.3189 4.4413 4.4640 5.2029 5.2369 7.7461 7.7889 10.9782 10.9782 11.3822 11.4107 11.8691 11.8780 k = 0.3333 0.5774 0.3566 ( 7884 PWs) bands (ev): -39.1924 -39.1924 -28.3686 -28.3686 -11.2609 -11.2542 -10.1454 -10.1309 -10.1303 -10.1255 -1.9776 -1.9676 4.3076 4.3087 4.4887 4.5109 5.1528 5.1882 7.7115 7.7565 10.9441 10.9443 11.3318 11.3591 11.9671 11.9741 k = 0.3333 0.5774 0.3703 ( 7890 PWs) bands (ev): -39.1924 -39.1924 -28.3681 -28.3681 -11.2620 -11.2559 -10.1432 -10.1353 -10.1307 -10.1297 -1.9745 -1.9657 4.2988 4.3003 4.5349 4.5569 5.1057 5.1424 7.6794 7.7266 10.8985 10.8989 11.2845 11.3106 12.0648 12.0689 k = 0.3333 0.5774 0.3840 ( 7887 PWs) bands (ev): -39.1924 -39.1924 -28.3677 -28.3677 -11.2632 -11.2575 -10.1410 -10.1399 -10.1357 -10.1285 -1.9715 -1.9638 4.2893 4.2930 4.5795 4.6016 5.0617 5.0996 7.6499 7.6990 10.8460 10.8465 11.2405 11.2654 12.1622 12.1635 k = 0.3333 0.5774 0.3977 ( 7881 PWs) bands (ev): -39.1924 -39.1924 -28.3673 -28.3673 -11.2643 -11.2590 -10.1443 -10.1403 -10.1390 -10.1273 -1.9686 -1.9620 4.2803 4.2861 4.6222 4.6444 5.0209 5.0598 7.6228 7.6738 10.7901 10.7908 11.1997 11.2236 12.2592 12.2593 k = 0.3333 0.5774 0.4115 ( 7893 PWs) bands (ev): -39.1924 -39.1924 -28.3670 -28.3670 -11.2653 -11.2604 -10.1484 -10.1446 -10.1371 -10.1263 -1.9659 -1.9604 4.2718 4.2795 4.6625 4.6851 4.9835 5.0232 7.5982 7.6510 10.7337 10.7344 11.1623 11.1852 12.3557 12.3562 k = 0.3333 0.5774 0.4252 ( 7893 PWs) bands (ev): -39.1924 -39.1924 -28.3666 -28.3666 -11.2663 -11.2618 -10.1521 -10.1486 -10.1353 -10.1253 -1.9634 -1.9588 4.2639 4.2733 4.7001 4.7233 4.9495 4.9899 7.5761 7.6305 10.6787 10.6794 11.1283 11.1503 12.4515 12.4533 k = 0.3333 0.5774 0.4389 ( 7893 PWs) bands (ev): -39.1924 -39.1924 -28.3663 -28.3663 -11.2672 -11.2630 -10.1554 -10.1521 -10.1337 -10.1244 -1.9612 -1.9574 4.2567 4.2676 4.7345 4.7585 4.9193 4.9599 7.5563 7.6122 10.6267 10.6273 11.0977 11.1190 12.5465 12.5495 k = 0.3333 0.5774 0.4526 ( 7893 PWs) bands (ev): -39.1924 -39.1924 -28.3661 -28.3661 -11.2681 -11.2642 -10.1584 -10.1553 -10.1323 -10.1236 -1.9591 -1.9562 4.2502 4.2625 4.7650 4.7905 4.8933 4.9332 7.5390 7.5962 10.5788 10.5793 11.0707 11.0912 12.6401 12.6443 k = 0.3333 0.5774 0.4663 ( 7878 PWs) bands (ev): -39.1924 -39.1924 -28.3658 -28.3658 -11.2688 -11.2652 -10.1610 -10.1581 -10.1310 -10.1228 -1.9574 -1.9551 4.2445 4.2579 4.7904 4.8190 4.8723 4.9101 7.5240 7.5823 10.5357 10.5362 11.0471 11.0670 12.7319 12.7370 k = 0.3333 0.5774 0.4800 ( 7890 PWs) bands (ev): -39.1924 -39.1924 -28.3656 -28.3656 -11.2695 -11.2660 -10.1633 -10.1605 -10.1299 -10.1222 -1.9558 -1.9542 4.2395 4.2540 4.8073 4.8436 4.8596 4.8904 7.5114 7.5707 10.4983 10.4987 11.0272 11.0465 12.8209 12.8268 k = 0.3333 0.5774 0.4937 ( 7893 PWs) bands (ev): -39.1924 -39.1924 -28.3654 -28.3654 -11.2700 -11.2668 -10.1651 -10.1625 -10.1290 -10.1217 -1.9545 -1.9534 4.2355 4.2508 4.8103 4.8603 4.8642 4.8742 7.5011 7.5612 10.4670 10.4674 11.0108 11.0297 12.9057 12.9121 k = 0.3333 0.5774 0.5075 ( 7884 PWs) bands (ev): -39.1924 -39.1924 -28.3653 -28.3653 -11.2704 -11.2673 -10.1665 -10.1640 -10.1283 -10.1213 -1.9535 -1.9528 4.2322 4.2482 4.8043 4.8616 4.8695 4.8804 7.4931 7.5538 10.4423 10.4425 10.9980 11.0166 12.9835 12.9903 k = 0.3333 0.5774 0.5212 ( 7884 PWs) bands (ev): -39.1924 -39.1924 -28.3652 -28.3652 -11.2708 -11.2677 -10.1675 -10.1651 -10.1278 -10.1211 -1.9528 -1.9523 4.2299 4.2464 4.7975 4.8526 4.8786 4.8921 7.4875 7.5486 10.4244 10.4246 10.9889 11.0073 13.0497 13.0567 k = 0.3333 0.5774 0.5349 ( 7884 PWs) bands (ev): -39.1924 -39.1924 -28.3651 -28.3651 -11.2709 -11.2680 -10.1682 -10.1658 -10.1275 -10.1209 -1.9524 -1.9521 4.2285 4.2453 4.7930 4.8472 4.8846 4.8992 7.4840 7.5454 10.4136 10.4138 10.9834 11.0016 13.0964 13.1034 k = 0.3333 0.5774 0.5486 ( 7902 PWs) bands (ev): -39.1924 -39.1924 -28.3651 -28.3651 -11.2710 -11.2681 -10.1684 -10.1660 -10.1274 -10.1208 -1.9522 -1.9520 4.2281 4.2449 4.7914 4.8454 4.8867 4.9016 7.4829 7.5444 10.4100 10.4101 10.9816 10.9998 13.1136 13.1206 Writing output data file SrLiP.save init_run : 4.78s CPU 13.62s WALL ( 1 calls) electrons : 393.14s CPU 400.09s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.29s CPU 1.57s WALL ( 1 calls) Called by electrons: c_bands : 393.09s CPU 399.75s WALL ( 1 calls) v_of_rho : 0.13s CPU 1.16s WALL ( 1 calls) v_h : 0.00s CPU 0.01s WALL ( 1 calls) v_xc : 0.12s CPU 0.56s WALL ( 1 calls) newd : 0.30s CPU 0.46s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.13s WALL ( 357 calls) cegterg : 348.39s CPU 351.55s WALL ( 716 calls) Called by sum_band: Called by *egterg: h_psi : 255.28s CPU 261.92s WALL ( 11780 calls) s_psi : 12.10s CPU 12.65s WALL ( 11780 calls) g_psi : 0.60s CPU 0.71s WALL ( 10707 calls) cdiaghg : 49.52s CPU 47.19s WALL ( 11064 calls) cegterg:over : 23.59s CPU 21.13s WALL ( 10707 calls) cegterg:upda : 4.98s CPU 8.28s WALL ( 10707 calls) cegterg:last : 5.06s CPU 6.00s WALL ( 2161 calls) Called by h_psi: h_psi:vloc : 229.47s CPU 235.03s WALL ( 11780 calls) h_psi:vnl : 25.58s CPU 26.24s WALL ( 11780 calls) add_vuspsi : 6.49s CPU 10.05s WALL ( 11780 calls) General routines calbec : 19.05s CPU 16.07s WALL ( 11780 calls) fft : 0.50s CPU 1.11s WALL ( 15 calls) fftw : 219.55s CPU 223.78s WALL ( 646804 calls) davcio : 0.05s CPU 2.50s WALL ( 714 calls) Parallel routines fft_scatter : 126.57s CPU 126.57s WALL ( 646819 calls) PWSCF : 7m25.73s CPU 8m50.91s WALL This run was terminated on: 19: 1:31 7Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=