Program PWSCF v.5.1.1 starts on 8Oct2015 at 22:42: 0 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: ./NaMnSe2.save/ file Mn.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 3P 3P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 74 24 7 5815 1110 167 Max 76 25 8 5820 1145 175 Sum 3559 1177 349 279185 53805 8233 bravais-lattice index = 14 lattice parameter (alat) = 7.9992 a.u. unit-cell volume = 726.9563 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 67.0000 Ry charge density cutoff = 803.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.999210 celldm(2)= 1.000000 celldm(3)= 1.639972 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 1.639972 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.609767 ) PseudoPot. # 1 for Mn read from file: /home/autes/Pseudo/Mn.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 5689fa97e257199ddb8f72ed56aebbb6 Pseudo is Ultrasoft + core correction, Zval = 15.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1187 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Se read from file: /home/autes/Pseudo/Se_MT_PBE.UPF MD5 check sum: 8b5aa0a73ac3f20b8f2ba32420215307 Pseudo is Norm-conserving, Zval = 6.0 Generated using "atomic" code by A. Dal Corso (espresso distribution) Using radial grid of 1211 points, 3 beta functions with: l(1) = 0 l(2) = 1 l(3) = 1 PseudoPot. # 3 for Na read from file: /home/autes/Pseudo/Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 13bcaa2858b974004ed12db349b14e76 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1121 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Mn 15.00 54.93800 Mn( 1.00) Se 6.00 78.96000 Se( 1.00) Na 9.00 22.98980 Na( 1.00) 6 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 = 2 120 deg rotation - cryst. axis [0,0,1] cryst. s( 2) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 3) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 5) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 6) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_3v (3m) there are 6 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3s_v -3s_v G_4 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6 1.00 -1.00 -1.00 1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3s_v -3s_v G_4 0.00 0.00 0.00 0.00 0.00 0.00 G_5 0.00 0.00 0.00 0.00 1.00 -1.00 G_6 0.00 0.00 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 2C3 2 3 3s_v 4 5 -6 3s_v 6 -4 -5 -E -1 -2C3 -2 -3 Cartesian axes number of k points= 314 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031847 k( 2) = ( 0.0116279 0.0067134 -0.0000000), wk = 0.0031847 k( 3) = ( 0.0232558 0.0134267 -0.0000000), wk = 0.0031847 k( 4) = ( 0.0348837 0.0201401 -0.0000000), wk = 0.0031847 k( 5) = ( 0.0465116 0.0268535 -0.0000000), wk = 0.0031847 k( 6) = ( 0.0581395 0.0335669 -0.0000000), wk = 0.0031847 k( 7) = ( 0.0697674 0.0402803 -0.0000000), wk = 0.0031847 k( 8) = ( 0.0813954 0.0469936 -0.0000000), wk = 0.0031847 k( 9) = ( 0.0930233 0.0537070 -0.0000000), wk = 0.0031847 k( 10) = ( 0.1046512 0.0604204 -0.0000000), wk = 0.0031847 k( 11) = ( 0.1162791 0.0671338 -0.0000000), wk = 0.0031847 k( 12) = ( 0.1279070 0.0738471 -0.0000000), wk = 0.0031847 k( 13) = ( 0.1395349 0.0805605 -0.0000000), wk = 0.0031847 k( 14) = ( 0.1511628 0.0872739 -0.0000000), wk = 0.0031847 k( 15) = ( 0.1627907 0.0939873 -0.0000000), wk = 0.0031847 k( 16) = ( 0.1744186 0.1007006 -0.0000000), wk = 0.0031847 k( 17) = ( 0.1860465 0.1074140 -0.0000000), wk = 0.0031847 k( 18) = ( 0.1976744 0.1141274 -0.0000000), wk = 0.0031847 k( 19) = ( 0.2093023 0.1208408 -0.0000000), wk = 0.0031847 k( 20) = ( 0.2209302 0.1275541 -0.0000000), wk = 0.0031847 k( 21) = ( 0.2325581 0.1342675 -0.0000000), wk = 0.0031847 k( 22) = ( 0.2441860 0.1409809 -0.0000000), wk = 0.0031847 k( 23) = ( 0.2558140 0.1476943 -0.0000000), wk = 0.0031847 k( 24) = ( 0.2674419 0.1544076 -0.0000000), wk = 0.0031847 k( 25) = ( 0.2790698 0.1611210 -0.0000000), wk = 0.0031847 k( 26) = ( 0.2906977 0.1678344 -0.0000000), wk = 0.0031847 k( 27) = ( 0.3023256 0.1745478 -0.0000000), wk = 0.0031847 k( 28) = ( 0.3139535 0.1812611 -0.0000000), wk = 0.0031847 k( 29) = ( 0.3255814 0.1879745 -0.0000000), wk = 0.0031847 k( 30) = ( 0.3372093 0.1946879 -0.0000000), wk = 0.0031847 k( 31) = ( 0.3488372 0.2014013 -0.0000000), wk = 0.0031847 k( 32) = ( 0.3604651 0.2081146 -0.0000000), wk = 0.0031847 k( 33) = ( 0.3720930 0.2148280 -0.0000000), wk = 0.0031847 k( 34) = ( 0.3837209 0.2215414 -0.0000000), wk = 0.0031847 k( 35) = ( 0.3953488 0.2282548 -0.0000000), wk = 0.0031847 k( 36) = ( 0.4069767 0.2349681 -0.0000000), wk = 0.0031847 k( 37) = ( 0.4186047 0.2416815 -0.0000000), wk = 0.0031847 k( 38) = ( 0.4302326 0.2483949 -0.0000000), wk = 0.0031847 k( 39) = ( 0.4418605 0.2551083 -0.0000000), wk = 0.0031847 k( 40) = ( 0.4534884 0.2618216 -0.0000000), wk = 0.0031847 k( 41) = ( 0.4651163 0.2685350 -0.0000000), wk = 0.0031847 k( 42) = ( 0.4767442 0.2752484 -0.0000000), wk = 0.0031847 k( 43) = ( 0.4883721 0.2819618 -0.0000000), wk = 0.0031847 k( 44) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0031847 k( 45) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0031847 k( 46) = ( 0.4933333 0.3002221 -0.0000000), wk = 0.0031847 k( 47) = ( 0.4866667 0.3117692 -0.0000000), wk = 0.0031847 k( 48) = ( 0.4800000 0.3233162 -0.0000000), wk = 0.0031847 k( 49) = ( 0.4733333 0.3348632 -0.0000000), wk = 0.0031847 k( 50) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0031847 k( 51) = ( 0.4600000 0.3579572 -0.0000000), wk = 0.0031847 k( 52) = ( 0.4533333 0.3695042 -0.0000000), wk = 0.0031847 k( 53) = ( 0.4466667 0.3810512 -0.0000000), wk = 0.0031847 k( 54) = ( 0.4400000 0.3925982 -0.0000000), wk = 0.0031847 k( 55) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0031847 k( 56) = ( 0.4266667 0.4156922 -0.0000000), wk = 0.0031847 k( 57) = ( 0.4200000 0.4272392 -0.0000000), wk = 0.0031847 k( 58) = ( 0.4133333 0.4387862 -0.0000000), wk = 0.0031847 k( 59) = ( 0.4066667 0.4503332 -0.0000000), wk = 0.0031847 k( 60) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0031847 k( 61) = ( 0.3933333 0.4734272 -0.0000000), wk = 0.0031847 k( 62) = ( 0.3866667 0.4849742 -0.0000000), wk = 0.0031847 k( 63) = ( 0.3800000 0.4965212 -0.0000000), wk = 0.0031847 k( 64) = ( 0.3733333 0.5080682 -0.0000000), wk = 0.0031847 k( 65) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0031847 k( 66) = ( 0.3600000 0.5311622 -0.0000000), wk = 0.0031847 k( 67) = ( 0.3533333 0.5427092 -0.0000000), wk = 0.0031847 k( 68) = ( 0.3466667 0.5542563 -0.0000000), wk = 0.0031847 k( 69) = ( 0.3400000 0.5658033 -0.0000000), wk = 0.0031847 k( 70) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0031847 k( 71) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0031847 k( 72) = ( 0.3266667 0.5658033 -0.0000000), wk = 0.0031847 k( 73) = ( 0.3200000 0.5542563 -0.0000000), wk = 0.0031847 k( 74) = ( 0.3133333 0.5427092 -0.0000000), wk = 0.0031847 k( 75) = ( 0.3066667 0.5311623 -0.0000000), wk = 0.0031847 k( 76) = ( 0.3000000 0.5196152 -0.0000000), wk = 0.0031847 k( 77) = ( 0.2933333 0.5080682 -0.0000000), wk = 0.0031847 k( 78) = ( 0.2866667 0.4965212 -0.0000000), wk = 0.0031847 k( 79) = ( 0.2800000 0.4849742 -0.0000000), wk = 0.0031847 k( 80) = ( 0.2733333 0.4734272 -0.0000000), wk = 0.0031847 k( 81) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0031847 k( 82) = ( 0.2600000 0.4503332 -0.0000000), wk = 0.0031847 k( 83) = ( 0.2533333 0.4387862 -0.0000000), wk = 0.0031847 k( 84) = ( 0.2466667 0.4272392 -0.0000000), wk = 0.0031847 k( 85) = ( 0.2400000 0.4156922 -0.0000000), wk = 0.0031847 k( 86) = ( 0.2333333 0.4041452 -0.0000000), wk = 0.0031847 k( 87) = ( 0.2266667 0.3925982 -0.0000000), wk = 0.0031847 k( 88) = ( 0.2200000 0.3810512 -0.0000000), wk = 0.0031847 k( 89) = ( 0.2133333 0.3695042 -0.0000000), wk = 0.0031847 k( 90) = ( 0.2066667 0.3579572 -0.0000000), wk = 0.0031847 k( 91) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0031847 k( 92) = ( 0.1933333 0.3348632 -0.0000000), wk = 0.0031847 k( 93) = ( 0.1866667 0.3233162 -0.0000000), wk = 0.0031847 k( 94) = ( 0.1800000 0.3117691 -0.0000000), wk = 0.0031847 k( 95) = ( 0.1733333 0.3002221 -0.0000000), wk = 0.0031847 k( 96) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0031847 k( 97) = ( 0.1600000 0.2771281 -0.0000000), wk = 0.0031847 k( 98) = ( 0.1533333 0.2655811 -0.0000000), wk = 0.0031847 k( 99) = ( 0.1466667 0.2540341 -0.0000000), wk = 0.0031847 k( 100) = ( 0.1400000 0.2424871 -0.0000000), wk = 0.0031847 k( 101) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0031847 k( 102) = ( 0.1266667 0.2193931 -0.0000000), wk = 0.0031847 k( 103) = ( 0.1200000 0.2078461 -0.0000000), wk = 0.0031847 k( 104) = ( 0.1133333 0.1962991 -0.0000000), wk = 0.0031847 k( 105) = ( 0.1066667 0.1847521 -0.0000000), wk = 0.0031847 k( 106) = ( 0.1000000 0.1732051 -0.0000000), wk = 0.0031847 k( 107) = ( 0.0933333 0.1616581 -0.0000000), wk = 0.0031847 k( 108) = ( 0.0866667 0.1501111 -0.0000000), wk = 0.0031847 k( 109) = ( 0.0800000 0.1385641 -0.0000000), wk = 0.0031847 k( 110) = ( 0.0733333 0.1270171 -0.0000000), wk = 0.0031847 k( 111) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0031847 k( 112) = ( 0.0600000 0.1039230 -0.0000000), wk = 0.0031847 k( 113) = ( 0.0533333 0.0923760 -0.0000000), wk = 0.0031847 k( 114) = ( 0.0466667 0.0808290 -0.0000000), wk = 0.0031847 k( 115) = ( 0.0400000 0.0692820 -0.0000000), wk = 0.0031847 k( 116) = ( 0.0333333 0.0577350 -0.0000000), wk = 0.0031847 k( 117) = ( 0.0266667 0.0461880 -0.0000000), wk = 0.0031847 k( 118) = ( 0.0200000 0.0346410 -0.0000000), wk = 0.0031847 k( 119) = ( 0.0133333 0.0230940 -0.0000000), wk = 0.0031847 k( 120) = ( 0.0066667 0.0115470 -0.0000000), wk = 0.0031847 k( 121) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031847 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031847 k( 123) = ( 0.0000000 0.0000000 0.0132558), wk = 0.0031847 k( 124) = ( 0.0000000 0.0000000 0.0265116), wk = 0.0031847 k( 125) = ( 0.0000000 0.0000000 0.0397674), wk = 0.0031847 k( 126) = ( 0.0000000 0.0000000 0.0530232), wk = 0.0031847 k( 127) = ( 0.0000000 0.0000000 0.0662790), wk = 0.0031847 k( 128) = ( 0.0000000 0.0000000 0.0795348), wk = 0.0031847 k( 129) = ( 0.0000000 0.0000000 0.0927906), wk = 0.0031847 k( 130) = ( 0.0000000 0.0000000 0.1060464), wk = 0.0031847 k( 131) = ( 0.0000000 0.0000000 0.1193022), wk = 0.0031847 k( 132) = ( 0.0000000 0.0000000 0.1325580), wk = 0.0031847 k( 133) = ( 0.0000000 0.0000000 0.1458138), wk = 0.0031847 k( 134) = ( 0.0000000 0.0000000 0.1590696), wk = 0.0031847 k( 135) = ( 0.0000000 0.0000000 0.1723254), wk = 0.0031847 k( 136) = ( 0.0000000 0.0000000 0.1855812), wk = 0.0031847 k( 137) = ( 0.0000000 0.0000000 0.1988369), wk = 0.0031847 k( 138) = ( 0.0000000 0.0000000 0.2120927), wk = 0.0031847 k( 139) = ( 0.0000000 0.0000000 0.2253485), wk = 0.0031847 k( 140) = ( 0.0000000 0.0000000 0.2386043), wk = 0.0031847 k( 141) = ( 0.0000000 0.0000000 0.2518601), wk = 0.0031847 k( 142) = ( 0.0000000 0.0000000 0.2651159), wk = 0.0031847 k( 143) = ( 0.0000000 0.0000000 0.2783717), wk = 0.0031847 k( 144) = ( 0.0000000 0.0000000 0.2916275), wk = 0.0031847 k( 145) = ( 0.0000000 0.0000000 0.3048833), wk = 0.0031847 k( 146) = ( 0.0000000 0.0000000 0.3048833), wk = 0.0031847 k( 147) = ( 0.0116279 0.0067134 0.3048833), wk = 0.0031847 k( 148) = ( 0.0232558 0.0134267 0.3048833), wk = 0.0031847 k( 149) = ( 0.0348837 0.0201401 0.3048833), wk = 0.0031847 k( 150) = ( 0.0465116 0.0268535 0.3048833), wk = 0.0031847 k( 151) = ( 0.0581395 0.0335669 0.3048833), wk = 0.0031847 k( 152) = ( 0.0697674 0.0402803 0.3048833), wk = 0.0031847 k( 153) = ( 0.0813954 0.0469936 0.3048833), wk = 0.0031847 k( 154) = ( 0.0930233 0.0537070 0.3048833), wk = 0.0031847 k( 155) = ( 0.1046512 0.0604204 0.3048833), wk = 0.0031847 k( 156) = ( 0.1162791 0.0671338 0.3048833), wk = 0.0031847 k( 157) = ( 0.1279070 0.0738471 0.3048833), wk = 0.0031847 k( 158) = ( 0.1395349 0.0805605 0.3048833), wk = 0.0031847 k( 159) = ( 0.1511628 0.0872739 0.3048833), wk = 0.0031847 k( 160) = ( 0.1627907 0.0939873 0.3048833), wk = 0.0031847 k( 161) = ( 0.1744186 0.1007006 0.3048833), wk = 0.0031847 k( 162) = ( 0.1860465 0.1074140 0.3048833), wk = 0.0031847 k( 163) = ( 0.1976744 0.1141274 0.3048833), wk = 0.0031847 k( 164) = ( 0.2093023 0.1208408 0.3048833), wk = 0.0031847 k( 165) = ( 0.2209302 0.1275541 0.3048833), wk = 0.0031847 k( 166) = ( 0.2325581 0.1342675 0.3048833), wk = 0.0031847 k( 167) = ( 0.2441860 0.1409809 0.3048833), wk = 0.0031847 k( 168) = ( 0.2558140 0.1476943 0.3048833), wk = 0.0031847 k( 169) = ( 0.2674419 0.1544076 0.3048833), wk = 0.0031847 k( 170) = ( 0.2790698 0.1611210 0.3048833), wk = 0.0031847 k( 171) = ( 0.2906977 0.1678344 0.3048833), wk = 0.0031847 k( 172) = ( 0.3023256 0.1745478 0.3048833), wk = 0.0031847 k( 173) = ( 0.3139535 0.1812611 0.3048833), wk = 0.0031847 k( 174) = ( 0.3255814 0.1879745 0.3048833), wk = 0.0031847 k( 175) = ( 0.3372093 0.1946879 0.3048833), wk = 0.0031847 k( 176) = ( 0.3488372 0.2014013 0.3048833), wk = 0.0031847 k( 177) = ( 0.3604651 0.2081146 0.3048833), wk = 0.0031847 k( 178) = ( 0.3720930 0.2148280 0.3048833), wk = 0.0031847 k( 179) = ( 0.3837209 0.2215414 0.3048833), wk = 0.0031847 k( 180) = ( 0.3953488 0.2282548 0.3048833), wk = 0.0031847 k( 181) = ( 0.4069767 0.2349681 0.3048833), wk = 0.0031847 k( 182) = ( 0.4186047 0.2416815 0.3048833), wk = 0.0031847 k( 183) = ( 0.4302326 0.2483949 0.3048833), wk = 0.0031847 k( 184) = ( 0.4418605 0.2551083 0.3048833), wk = 0.0031847 k( 185) = ( 0.4534884 0.2618216 0.3048833), wk = 0.0031847 k( 186) = ( 0.4651163 0.2685350 0.3048833), wk = 0.0031847 k( 187) = ( 0.4767442 0.2752484 0.3048833), wk = 0.0031847 k( 188) = ( 0.4883721 0.2819618 0.3048833), wk = 0.0031847 k( 189) = ( 0.5000000 0.2886751 0.3048833), wk = 0.0031847 k( 190) = ( 0.5000000 0.2886751 0.3048833), wk = 0.0031847 k( 191) = ( 0.4933333 0.3002221 0.3048833), wk = 0.0031847 k( 192) = ( 0.4866667 0.3117692 0.3048833), wk = 0.0031847 k( 193) = ( 0.4800000 0.3233162 0.3048833), wk = 0.0031847 k( 194) = ( 0.4733333 0.3348632 0.3048833), wk = 0.0031847 k( 195) = ( 0.4666667 0.3464102 0.3048833), wk = 0.0031847 k( 196) = ( 0.4600000 0.3579572 0.3048833), wk = 0.0031847 k( 197) = ( 0.4533333 0.3695042 0.3048833), wk = 0.0031847 k( 198) = ( 0.4466667 0.3810512 0.3048833), wk = 0.0031847 k( 199) = ( 0.4400000 0.3925982 0.3048833), wk = 0.0031847 k( 200) = ( 0.4333333 0.4041452 0.3048833), wk = 0.0031847 k( 201) = ( 0.4266667 0.4156922 0.3048833), wk = 0.0031847 k( 202) = ( 0.4200000 0.4272392 0.3048833), wk = 0.0031847 k( 203) = ( 0.4133333 0.4387862 0.3048833), wk = 0.0031847 k( 204) = ( 0.4066667 0.4503332 0.3048833), wk = 0.0031847 k( 205) = ( 0.4000000 0.4618802 0.3048833), wk = 0.0031847 k( 206) = ( 0.3933333 0.4734272 0.3048833), wk = 0.0031847 k( 207) = ( 0.3866667 0.4849742 0.3048833), wk = 0.0031847 k( 208) = ( 0.3800000 0.4965212 0.3048833), wk = 0.0031847 k( 209) = ( 0.3733333 0.5080682 0.3048833), wk = 0.0031847 k( 210) = ( 0.3666667 0.5196152 0.3048833), wk = 0.0031847 k( 211) = ( 0.3600000 0.5311622 0.3048833), wk = 0.0031847 k( 212) = ( 0.3533333 0.5427092 0.3048833), wk = 0.0031847 k( 213) = ( 0.3466667 0.5542563 0.3048833), wk = 0.0031847 k( 214) = ( 0.3400000 0.5658033 0.3048833), wk = 0.0031847 k( 215) = ( 0.3333333 0.5773503 0.3048833), wk = 0.0031847 k( 216) = ( 0.3333333 0.5773503 0.3048833), wk = 0.0031847 k( 217) = ( 0.3266667 0.5658033 0.3048833), wk = 0.0031847 k( 218) = ( 0.3200000 0.5542563 0.3048833), wk = 0.0031847 k( 219) = ( 0.3133333 0.5427092 0.3048833), wk = 0.0031847 k( 220) = ( 0.3066667 0.5311623 0.3048833), wk = 0.0031847 k( 221) = ( 0.3000000 0.5196152 0.3048833), wk = 0.0031847 k( 222) = ( 0.2933333 0.5080682 0.3048833), wk = 0.0031847 k( 223) = ( 0.2866667 0.4965212 0.3048833), wk = 0.0031847 k( 224) = ( 0.2800000 0.4849742 0.3048833), wk = 0.0031847 k( 225) = ( 0.2733333 0.4734272 0.3048833), wk = 0.0031847 k( 226) = ( 0.2666667 0.4618802 0.3048833), wk = 0.0031847 k( 227) = ( 0.2600000 0.4503332 0.3048833), wk = 0.0031847 k( 228) = ( 0.2533333 0.4387862 0.3048833), wk = 0.0031847 k( 229) = ( 0.2466667 0.4272392 0.3048833), wk = 0.0031847 k( 230) = ( 0.2400000 0.4156922 0.3048833), wk = 0.0031847 k( 231) = ( 0.2333333 0.4041452 0.3048833), wk = 0.0031847 k( 232) = ( 0.2266667 0.3925982 0.3048833), wk = 0.0031847 k( 233) = ( 0.2200000 0.3810512 0.3048833), wk = 0.0031847 k( 234) = ( 0.2133333 0.3695042 0.3048833), wk = 0.0031847 k( 235) = ( 0.2066667 0.3579572 0.3048833), wk = 0.0031847 k( 236) = ( 0.2000000 0.3464102 0.3048833), wk = 0.0031847 k( 237) = ( 0.1933333 0.3348632 0.3048833), wk = 0.0031847 k( 238) = ( 0.1866667 0.3233162 0.3048833), wk = 0.0031847 k( 239) = ( 0.1800000 0.3117691 0.3048833), wk = 0.0031847 k( 240) = ( 0.1733333 0.3002221 0.3048833), wk = 0.0031847 k( 241) = ( 0.1666667 0.2886751 0.3048833), wk = 0.0031847 k( 242) = ( 0.1600000 0.2771281 0.3048833), wk = 0.0031847 k( 243) = ( 0.1533333 0.2655811 0.3048833), wk = 0.0031847 k( 244) = ( 0.1466667 0.2540341 0.3048833), wk = 0.0031847 k( 245) = ( 0.1400000 0.2424871 0.3048833), wk = 0.0031847 k( 246) = ( 0.1333333 0.2309401 0.3048833), wk = 0.0031847 k( 247) = ( 0.1266667 0.2193931 0.3048833), wk = 0.0031847 k( 248) = ( 0.1200000 0.2078461 0.3048833), wk = 0.0031847 k( 249) = ( 0.1133333 0.1962991 0.3048833), wk = 0.0031847 k( 250) = ( 0.1066667 0.1847521 0.3048833), wk = 0.0031847 k( 251) = ( 0.1000000 0.1732051 0.3048833), wk = 0.0031847 k( 252) = ( 0.0933333 0.1616581 0.3048833), wk = 0.0031847 k( 253) = ( 0.0866667 0.1501111 0.3048833), wk = 0.0031847 k( 254) = ( 0.0800000 0.1385641 0.3048833), wk = 0.0031847 k( 255) = ( 0.0733333 0.1270171 0.3048833), wk = 0.0031847 k( 256) = ( 0.0666667 0.1154701 0.3048833), wk = 0.0031847 k( 257) = ( 0.0600000 0.1039230 0.3048833), wk = 0.0031847 k( 258) = ( 0.0533333 0.0923760 0.3048833), wk = 0.0031847 k( 259) = ( 0.0466667 0.0808290 0.3048833), wk = 0.0031847 k( 260) = ( 0.0400000 0.0692820 0.3048833), wk = 0.0031847 k( 261) = ( 0.0333333 0.0577350 0.3048833), wk = 0.0031847 k( 262) = ( 0.0266667 0.0461880 0.3048833), wk = 0.0031847 k( 263) = ( 0.0200000 0.0346410 0.3048833), wk = 0.0031847 k( 264) = ( 0.0133333 0.0230940 0.3048833), wk = 0.0031847 k( 265) = ( 0.0066667 0.0115470 0.3048833), wk = 0.0031847 k( 266) = ( 0.0000000 0.0000000 0.3048833), wk = 0.0031847 k( 267) = ( 0.5000000 0.2886751 0.3048833), wk = 0.0031847 k( 268) = ( 0.5000000 0.2886751 0.2916275), wk = 0.0031847 k( 269) = ( 0.5000000 0.2886751 0.2783717), wk = 0.0031847 k( 270) = ( 0.5000000 0.2886751 0.2651159), wk = 0.0031847 k( 271) = ( 0.5000000 0.2886751 0.2518601), wk = 0.0031847 k( 272) = ( 0.5000000 0.2886751 0.2386043), wk = 0.0031847 k( 273) = ( 0.5000000 0.2886751 0.2253485), wk = 0.0031847 k( 274) = ( 0.5000000 0.2886751 0.2120927), wk = 0.0031847 k( 275) = ( 0.5000000 0.2886751 0.1988369), wk = 0.0031847 k( 276) = ( 0.5000000 0.2886751 0.1855812), wk = 0.0031847 k( 277) = ( 0.5000000 0.2886751 0.1723254), wk = 0.0031847 k( 278) = ( 0.5000000 0.2886751 0.1590696), wk = 0.0031847 k( 279) = ( 0.5000000 0.2886751 0.1458138), wk = 0.0031847 k( 280) = ( 0.5000000 0.2886751 0.1325580), wk = 0.0031847 k( 281) = ( 0.5000000 0.2886751 0.1193022), wk = 0.0031847 k( 282) = ( 0.5000000 0.2886751 0.1060464), wk = 0.0031847 k( 283) = ( 0.5000000 0.2886751 0.0927906), wk = 0.0031847 k( 284) = ( 0.5000000 0.2886751 0.0795348), wk = 0.0031847 k( 285) = ( 0.5000000 0.2886751 0.0662790), wk = 0.0031847 k( 286) = ( 0.5000000 0.2886751 0.0530232), wk = 0.0031847 k( 287) = ( 0.5000000 0.2886751 0.0397674), wk = 0.0031847 k( 288) = ( 0.5000000 0.2886751 0.0265116), wk = 0.0031847 k( 289) = ( 0.5000000 0.2886751 0.0132558), wk = 0.0031847 k( 290) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0031847 k( 291) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0031847 k( 292) = ( 0.3333333 0.5773503 0.0132558), wk = 0.0031847 k( 293) = ( 0.3333333 0.5773503 0.0265116), wk = 0.0031847 k( 294) = ( 0.3333333 0.5773503 0.0397674), wk = 0.0031847 k( 295) = ( 0.3333333 0.5773503 0.0530232), wk = 0.0031847 k( 296) = ( 0.3333333 0.5773503 0.0662790), wk = 0.0031847 k( 297) = ( 0.3333333 0.5773503 0.0795348), wk = 0.0031847 k( 298) = ( 0.3333333 0.5773503 0.0927906), wk = 0.0031847 k( 299) = ( 0.3333333 0.5773503 0.1060464), wk = 0.0031847 k( 300) = ( 0.3333333 0.5773503 0.1193022), wk = 0.0031847 k( 301) = ( 0.3333333 0.5773503 0.1325580), wk = 0.0031847 k( 302) = ( 0.3333333 0.5773503 0.1458138), wk = 0.0031847 k( 303) = ( 0.3333333 0.5773503 0.1590696), wk = 0.0031847 k( 304) = ( 0.3333333 0.5773503 0.1723254), wk = 0.0031847 k( 305) = ( 0.3333333 0.5773503 0.1855812), wk = 0.0031847 k( 306) = ( 0.3333333 0.5773503 0.1988369), wk = 0.0031847 k( 307) = ( 0.3333333 0.5773503 0.2120927), wk = 0.0031847 k( 308) = ( 0.3333333 0.5773503 0.2253485), wk = 0.0031847 k( 309) = ( 0.3333333 0.5773503 0.2386043), wk = 0.0031847 k( 310) = ( 0.3333333 0.5773503 0.2518601), wk = 0.0031847 k( 311) = ( 0.3333333 0.5773503 0.2651159), wk = 0.0031847 k( 312) = ( 0.3333333 0.5773503 0.2783717), wk = 0.0031847 k( 313) = ( 0.3333333 0.5773503 0.2916275), wk = 0.0031847 k( 314) = ( 0.3333333 0.5773503 0.3048833), wk = 0.0031847 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031847 k( 2) = ( 0.0116279 0.0000000 0.0000000), wk = 0.0031847 k( 3) = ( 0.0232558 0.0000000 0.0000000), wk = 0.0031847 k( 4) = ( 0.0348837 0.0000000 -0.0000000), wk = 0.0031847 k( 5) = ( 0.0465116 0.0000000 0.0000000), wk = 0.0031847 k( 6) = ( 0.0581395 0.0000000 0.0000000), wk = 0.0031847 k( 7) = ( 0.0697674 0.0000000 -0.0000000), wk = 0.0031847 k( 8) = ( 0.0813954 0.0000000 -0.0000000), wk = 0.0031847 k( 9) = ( 0.0930233 0.0000000 0.0000000), wk = 0.0031847 k( 10) = ( 0.1046512 0.0000000 -0.0000000), wk = 0.0031847 k( 11) = ( 0.1162791 0.0000000 -0.0000000), wk = 0.0031847 k( 12) = ( 0.1279070 0.0000000 -0.0000000), wk = 0.0031847 k( 13) = ( 0.1395349 0.0000000 -0.0000000), wk = 0.0031847 k( 14) = ( 0.1511628 0.0000000 -0.0000000), wk = 0.0031847 k( 15) = ( 0.1627907 0.0000000 -0.0000000), wk = 0.0031847 k( 16) = ( 0.1744186 0.0000000 -0.0000000), wk = 0.0031847 k( 17) = ( 0.1860465 0.0000000 0.0000000), wk = 0.0031847 k( 18) = ( 0.1976744 0.0000000 -0.0000000), wk = 0.0031847 k( 19) = ( 0.2093023 0.0000000 -0.0000000), wk = 0.0031847 k( 20) = ( 0.2209302 0.0000000 -0.0000000), wk = 0.0031847 k( 21) = ( 0.2325581 0.0000000 -0.0000000), wk = 0.0031847 k( 22) = ( 0.2441860 0.0000000 -0.0000000), wk = 0.0031847 k( 23) = ( 0.2558140 0.0000000 -0.0000000), wk = 0.0031847 k( 24) = ( 0.2674419 0.0000000 -0.0000000), wk = 0.0031847 k( 25) = ( 0.2790698 0.0000000 0.0000000), wk = 0.0031847 k( 26) = ( 0.2906977 0.0000000 -0.0000000), wk = 0.0031847 k( 27) = ( 0.3023256 0.0000000 -0.0000000), wk = 0.0031847 k( 28) = ( 0.3139535 0.0000000 -0.0000000), wk = 0.0031847 k( 29) = ( 0.3255814 0.0000000 -0.0000000), wk = 0.0031847 k( 30) = ( 0.3372093 0.0000000 -0.0000000), wk = 0.0031847 k( 31) = ( 0.3488372 0.0000000 0.0000000), wk = 0.0031847 k( 32) = ( 0.3604651 0.0000000 -0.0000000), wk = 0.0031847 k( 33) = ( 0.3720930 0.0000000 0.0000000), wk = 0.0031847 k( 34) = ( 0.3837209 0.0000000 -0.0000000), wk = 0.0031847 k( 35) = ( 0.3953488 0.0000000 -0.0000000), wk = 0.0031847 k( 36) = ( 0.4069767 0.0000000 -0.0000000), wk = 0.0031847 k( 37) = ( 0.4186047 0.0000000 -0.0000000), wk = 0.0031847 k( 38) = ( 0.4302326 0.0000000 -0.0000000), wk = 0.0031847 k( 39) = ( 0.4418605 0.0000000 -0.0000000), wk = 0.0031847 k( 40) = ( 0.4534884 0.0000000 -0.0000000), wk = 0.0031847 k( 41) = ( 0.4651163 0.0000000 -0.0000000), wk = 0.0031847 k( 42) = ( 0.4767442 0.0000000 0.0000000), wk = 0.0031847 k( 43) = ( 0.4883721 0.0000000 0.0000000), wk = 0.0031847 k( 44) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0031847 k( 45) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0031847 k( 46) = ( 0.4933333 0.0133333 0.0000000), wk = 0.0031847 k( 47) = ( 0.4866667 0.0266667 -0.0000000), wk = 0.0031847 k( 48) = ( 0.4800000 0.0400000 -0.0000000), wk = 0.0031847 k( 49) = ( 0.4733333 0.0533333 0.0000000), wk = 0.0031847 k( 50) = ( 0.4666667 0.0666667 -0.0000000), wk = 0.0031847 k( 51) = ( 0.4600000 0.0800000 -0.0000000), wk = 0.0031847 k( 52) = ( 0.4533333 0.0933333 0.0000000), wk = 0.0031847 k( 53) = ( 0.4466667 0.1066667 -0.0000000), wk = 0.0031847 k( 54) = ( 0.4400000 0.1200000 -0.0000000), wk = 0.0031847 k( 55) = ( 0.4333333 0.1333333 0.0000000), wk = 0.0031847 k( 56) = ( 0.4266667 0.1466667 0.0000000), wk = 0.0031847 k( 57) = ( 0.4200000 0.1600000 0.0000000), wk = 0.0031847 k( 58) = ( 0.4133333 0.1733333 0.0000000), wk = 0.0031847 k( 59) = ( 0.4066667 0.1866667 -0.0000000), wk = 0.0031847 k( 60) = ( 0.4000000 0.2000000 -0.0000000), wk = 0.0031847 k( 61) = ( 0.3933333 0.2133333 0.0000000), wk = 0.0031847 k( 62) = ( 0.3866667 0.2266667 0.0000000), wk = 0.0031847 k( 63) = ( 0.3800000 0.2400000 -0.0000000), wk = 0.0031847 k( 64) = ( 0.3733333 0.2533333 0.0000000), wk = 0.0031847 k( 65) = ( 0.3666667 0.2666667 0.0000000), wk = 0.0031847 k( 66) = ( 0.3600000 0.2800000 0.0000000), wk = 0.0031847 k( 67) = ( 0.3533333 0.2933333 0.0000000), wk = 0.0031847 k( 68) = ( 0.3466667 0.3066667 0.0000000), wk = 0.0031847 k( 69) = ( 0.3400000 0.3200000 0.0000000), wk = 0.0031847 k( 70) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0031847 k( 71) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0031847 k( 72) = ( 0.3266667 0.3266667 0.0000000), wk = 0.0031847 k( 73) = ( 0.3200000 0.3200000 -0.0000000), wk = 0.0031847 k( 74) = ( 0.3133333 0.3133333 0.0000000), wk = 0.0031847 k( 75) = ( 0.3066667 0.3066667 0.0000000), wk = 0.0031847 k( 76) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0031847 k( 77) = ( 0.2933333 0.2933333 0.0000000), wk = 0.0031847 k( 78) = ( 0.2866667 0.2866667 0.0000000), wk = 0.0031847 k( 79) = ( 0.2800000 0.2800000 0.0000000), wk = 0.0031847 k( 80) = ( 0.2733333 0.2733333 0.0000000), wk = 0.0031847 k( 81) = ( 0.2666667 0.2666667 0.0000000), wk = 0.0031847 k( 82) = ( 0.2600000 0.2600000 0.0000000), wk = 0.0031847 k( 83) = ( 0.2533333 0.2533333 0.0000000), wk = 0.0031847 k( 84) = ( 0.2466667 0.2466667 0.0000000), wk = 0.0031847 k( 85) = ( 0.2400000 0.2400000 0.0000000), wk = 0.0031847 k( 86) = ( 0.2333333 0.2333333 0.0000000), wk = 0.0031847 k( 87) = ( 0.2266667 0.2266667 0.0000000), wk = 0.0031847 k( 88) = ( 0.2200000 0.2200000 0.0000000), wk = 0.0031847 k( 89) = ( 0.2133333 0.2133333 0.0000000), wk = 0.0031847 k( 90) = ( 0.2066667 0.2066667 0.0000000), wk = 0.0031847 k( 91) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0031847 k( 92) = ( 0.1933333 0.1933333 -0.0000000), wk = 0.0031847 k( 93) = ( 0.1866667 0.1866667 -0.0000000), wk = 0.0031847 k( 94) = ( 0.1800000 0.1800000 0.0000000), wk = 0.0031847 k( 95) = ( 0.1733333 0.1733333 0.0000000), wk = 0.0031847 k( 96) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0031847 k( 97) = ( 0.1600000 0.1600000 -0.0000000), wk = 0.0031847 k( 98) = ( 0.1533333 0.1533333 0.0000000), wk = 0.0031847 k( 99) = ( 0.1466667 0.1466667 0.0000000), wk = 0.0031847 k( 100) = ( 0.1400000 0.1400000 0.0000000), wk = 0.0031847 k( 101) = ( 0.1333333 0.1333333 -0.0000000), wk = 0.0031847 k( 102) = ( 0.1266667 0.1266667 -0.0000000), wk = 0.0031847 k( 103) = ( 0.1200000 0.1200000 0.0000000), wk = 0.0031847 k( 104) = ( 0.1133333 0.1133333 0.0000000), wk = 0.0031847 k( 105) = ( 0.1066667 0.1066667 0.0000000), wk = 0.0031847 k( 106) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0031847 k( 107) = ( 0.0933333 0.0933333 0.0000000), wk = 0.0031847 k( 108) = ( 0.0866667 0.0866667 0.0000000), wk = 0.0031847 k( 109) = ( 0.0800000 0.0800000 -0.0000000), wk = 0.0031847 k( 110) = ( 0.0733333 0.0733333 -0.0000000), wk = 0.0031847 k( 111) = ( 0.0666667 0.0666667 -0.0000000), wk = 0.0031847 k( 112) = ( 0.0600000 0.0600000 0.0000000), wk = 0.0031847 k( 113) = ( 0.0533333 0.0533333 0.0000000), wk = 0.0031847 k( 114) = ( 0.0466667 0.0466667 0.0000000), wk = 0.0031847 k( 115) = ( 0.0400000 0.0400000 -0.0000000), wk = 0.0031847 k( 116) = ( 0.0333333 0.0333333 -0.0000000), wk = 0.0031847 k( 117) = ( 0.0266667 0.0266667 0.0000000), wk = 0.0031847 k( 118) = ( 0.0200000 0.0200000 -0.0000000), wk = 0.0031847 k( 119) = ( 0.0133333 0.0133333 0.0000000), wk = 0.0031847 k( 120) = ( 0.0066667 0.0066667 0.0000000), wk = 0.0031847 k( 121) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031847 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031847 k( 123) = ( 0.0000000 0.0000000 0.0217391), wk = 0.0031847 k( 124) = ( 0.0000000 0.0000000 0.0434783), wk = 0.0031847 k( 125) = ( 0.0000000 0.0000000 0.0652174), wk = 0.0031847 k( 126) = ( 0.0000000 0.0000000 0.0869565), wk = 0.0031847 k( 127) = ( 0.0000000 0.0000000 0.1086957), wk = 0.0031847 k( 128) = ( 0.0000000 0.0000000 0.1304348), wk = 0.0031847 k( 129) = ( 0.0000000 0.0000000 0.1521739), wk = 0.0031847 k( 130) = ( 0.0000000 0.0000000 0.1739130), wk = 0.0031847 k( 131) = ( 0.0000000 0.0000000 0.1956522), wk = 0.0031847 k( 132) = ( 0.0000000 0.0000000 0.2173913), wk = 0.0031847 k( 133) = ( 0.0000000 0.0000000 0.2391304), wk = 0.0031847 k( 134) = ( 0.0000000 0.0000000 0.2608696), wk = 0.0031847 k( 135) = ( 0.0000000 0.0000000 0.2826087), wk = 0.0031847 k( 136) = ( 0.0000000 0.0000000 0.3043478), wk = 0.0031847 k( 137) = ( 0.0000000 0.0000000 0.3260870), wk = 0.0031847 k( 138) = ( 0.0000000 0.0000000 0.3478261), wk = 0.0031847 k( 139) = ( 0.0000000 0.0000000 0.3695652), wk = 0.0031847 k( 140) = ( 0.0000000 0.0000000 0.3913044), wk = 0.0031847 k( 141) = ( 0.0000000 0.0000000 0.4130435), wk = 0.0031847 k( 142) = ( 0.0000000 0.0000000 0.4347826), wk = 0.0031847 k( 143) = ( 0.0000000 0.0000000 0.4565217), wk = 0.0031847 k( 144) = ( 0.0000000 0.0000000 0.4782609), wk = 0.0031847 k( 145) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031847 k( 146) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031847 k( 147) = ( 0.0116279 0.0000000 0.5000000), wk = 0.0031847 k( 148) = ( 0.0232558 0.0000000 0.5000000), wk = 0.0031847 k( 149) = ( 0.0348837 0.0000000 0.5000000), wk = 0.0031847 k( 150) = ( 0.0465116 0.0000000 0.5000000), wk = 0.0031847 k( 151) = ( 0.0581395 0.0000000 0.5000000), wk = 0.0031847 k( 152) = ( 0.0697674 0.0000000 0.5000000), wk = 0.0031847 k( 153) = ( 0.0813954 0.0000000 0.5000000), wk = 0.0031847 k( 154) = ( 0.0930233 0.0000000 0.5000000), wk = 0.0031847 k( 155) = ( 0.1046512 0.0000000 0.5000000), wk = 0.0031847 k( 156) = ( 0.1162791 0.0000000 0.5000000), wk = 0.0031847 k( 157) = ( 0.1279070 0.0000000 0.5000000), wk = 0.0031847 k( 158) = ( 0.1395349 0.0000000 0.5000000), wk = 0.0031847 k( 159) = ( 0.1511628 0.0000000 0.5000000), wk = 0.0031847 k( 160) = ( 0.1627907 0.0000000 0.5000000), wk = 0.0031847 k( 161) = ( 0.1744186 0.0000000 0.5000000), wk = 0.0031847 k( 162) = ( 0.1860465 0.0000000 0.5000000), wk = 0.0031847 k( 163) = ( 0.1976744 0.0000000 0.5000000), wk = 0.0031847 k( 164) = ( 0.2093023 0.0000000 0.5000000), wk = 0.0031847 k( 165) = ( 0.2209302 0.0000000 0.5000000), wk = 0.0031847 k( 166) = ( 0.2325581 0.0000000 0.5000000), wk = 0.0031847 k( 167) = ( 0.2441860 0.0000000 0.5000000), wk = 0.0031847 k( 168) = ( 0.2558140 0.0000000 0.5000000), wk = 0.0031847 k( 169) = ( 0.2674419 0.0000000 0.5000000), wk = 0.0031847 k( 170) = ( 0.2790698 0.0000000 0.5000000), wk = 0.0031847 k( 171) = ( 0.2906977 0.0000000 0.5000000), wk = 0.0031847 k( 172) = ( 0.3023256 0.0000000 0.5000000), wk = 0.0031847 k( 173) = ( 0.3139535 0.0000000 0.5000000), wk = 0.0031847 k( 174) = ( 0.3255814 0.0000000 0.5000000), wk = 0.0031847 k( 175) = ( 0.3372093 0.0000000 0.5000000), wk = 0.0031847 k( 176) = ( 0.3488372 0.0000000 0.5000000), wk = 0.0031847 k( 177) = ( 0.3604651 0.0000000 0.5000000), wk = 0.0031847 k( 178) = ( 0.3720930 0.0000000 0.5000000), wk = 0.0031847 k( 179) = ( 0.3837209 0.0000000 0.5000000), wk = 0.0031847 k( 180) = ( 0.3953488 0.0000000 0.5000000), wk = 0.0031847 k( 181) = ( 0.4069767 0.0000000 0.5000000), wk = 0.0031847 k( 182) = ( 0.4186047 0.0000000 0.5000000), wk = 0.0031847 k( 183) = ( 0.4302326 0.0000000 0.5000000), wk = 0.0031847 k( 184) = ( 0.4418605 0.0000000 0.5000000), wk = 0.0031847 k( 185) = ( 0.4534884 0.0000000 0.5000000), wk = 0.0031847 k( 186) = ( 0.4651163 0.0000000 0.5000000), wk = 0.0031847 k( 187) = ( 0.4767442 0.0000000 0.5000000), wk = 0.0031847 k( 188) = ( 0.4883721 0.0000000 0.5000000), wk = 0.0031847 k( 189) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031847 k( 190) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031847 k( 191) = ( 0.4933333 0.0133333 0.5000000), wk = 0.0031847 k( 192) = ( 0.4866667 0.0266667 0.5000000), wk = 0.0031847 k( 193) = ( 0.4800000 0.0400000 0.5000000), wk = 0.0031847 k( 194) = ( 0.4733333 0.0533333 0.5000000), wk = 0.0031847 k( 195) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0031847 k( 196) = ( 0.4600000 0.0800000 0.5000000), wk = 0.0031847 k( 197) = ( 0.4533333 0.0933333 0.5000000), wk = 0.0031847 k( 198) = ( 0.4466667 0.1066667 0.5000000), wk = 0.0031847 k( 199) = ( 0.4400000 0.1200000 0.5000000), wk = 0.0031847 k( 200) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0031847 k( 201) = ( 0.4266667 0.1466667 0.5000000), wk = 0.0031847 k( 202) = ( 0.4200000 0.1600000 0.5000000), wk = 0.0031847 k( 203) = ( 0.4133333 0.1733333 0.5000000), wk = 0.0031847 k( 204) = ( 0.4066667 0.1866667 0.5000000), wk = 0.0031847 k( 205) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0031847 k( 206) = ( 0.3933333 0.2133333 0.5000000), wk = 0.0031847 k( 207) = ( 0.3866667 0.2266667 0.5000000), wk = 0.0031847 k( 208) = ( 0.3800000 0.2400000 0.5000000), wk = 0.0031847 k( 209) = ( 0.3733333 0.2533333 0.5000000), wk = 0.0031847 k( 210) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0031847 k( 211) = ( 0.3600000 0.2800000 0.5000000), wk = 0.0031847 k( 212) = ( 0.3533333 0.2933333 0.5000000), wk = 0.0031847 k( 213) = ( 0.3466667 0.3066667 0.5000000), wk = 0.0031847 k( 214) = ( 0.3400000 0.3200000 0.5000000), wk = 0.0031847 k( 215) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0031847 k( 216) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0031847 k( 217) = ( 0.3266667 0.3266667 0.5000000), wk = 0.0031847 k( 218) = ( 0.3200000 0.3200000 0.5000000), wk = 0.0031847 k( 219) = ( 0.3133333 0.3133333 0.5000000), wk = 0.0031847 k( 220) = ( 0.3066667 0.3066667 0.5000000), wk = 0.0031847 k( 221) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0031847 k( 222) = ( 0.2933333 0.2933333 0.5000000), wk = 0.0031847 k( 223) = ( 0.2866667 0.2866667 0.5000000), wk = 0.0031847 k( 224) = ( 0.2800000 0.2800000 0.5000000), wk = 0.0031847 k( 225) = ( 0.2733333 0.2733333 0.5000000), wk = 0.0031847 k( 226) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0031847 k( 227) = ( 0.2600000 0.2600000 0.5000000), wk = 0.0031847 k( 228) = ( 0.2533333 0.2533333 0.5000000), wk = 0.0031847 k( 229) = ( 0.2466667 0.2466667 0.5000000), wk = 0.0031847 k( 230) = ( 0.2400000 0.2400000 0.5000000), wk = 0.0031847 k( 231) = ( 0.2333333 0.2333333 0.5000000), wk = 0.0031847 k( 232) = ( 0.2266667 0.2266667 0.5000000), wk = 0.0031847 k( 233) = ( 0.2200000 0.2200000 0.5000000), wk = 0.0031847 k( 234) = ( 0.2133333 0.2133333 0.5000000), wk = 0.0031847 k( 235) = ( 0.2066667 0.2066667 0.5000000), wk = 0.0031847 k( 236) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0031847 k( 237) = ( 0.1933333 0.1933333 0.5000000), wk = 0.0031847 k( 238) = ( 0.1866667 0.1866667 0.5000000), wk = 0.0031847 k( 239) = ( 0.1800000 0.1800000 0.5000000), wk = 0.0031847 k( 240) = ( 0.1733333 0.1733333 0.5000000), wk = 0.0031847 k( 241) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0031847 k( 242) = ( 0.1600000 0.1600000 0.5000000), wk = 0.0031847 k( 243) = ( 0.1533333 0.1533333 0.5000000), wk = 0.0031847 k( 244) = ( 0.1466667 0.1466667 0.5000000), wk = 0.0031847 k( 245) = ( 0.1400000 0.1400000 0.5000000), wk = 0.0031847 k( 246) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0031847 k( 247) = ( 0.1266667 0.1266667 0.5000000), wk = 0.0031847 k( 248) = ( 0.1200000 0.1200000 0.5000000), wk = 0.0031847 k( 249) = ( 0.1133333 0.1133333 0.5000000), wk = 0.0031847 k( 250) = ( 0.1066667 0.1066667 0.5000000), wk = 0.0031847 k( 251) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0031847 k( 252) = ( 0.0933333 0.0933333 0.5000000), wk = 0.0031847 k( 253) = ( 0.0866667 0.0866667 0.5000000), wk = 0.0031847 k( 254) = ( 0.0800000 0.0800000 0.5000000), wk = 0.0031847 k( 255) = ( 0.0733333 0.0733333 0.5000000), wk = 0.0031847 k( 256) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0031847 k( 257) = ( 0.0600000 0.0600000 0.5000000), wk = 0.0031847 k( 258) = ( 0.0533333 0.0533333 0.5000000), wk = 0.0031847 k( 259) = ( 0.0466667 0.0466667 0.5000000), wk = 0.0031847 k( 260) = ( 0.0400000 0.0400000 0.5000000), wk = 0.0031847 k( 261) = ( 0.0333333 0.0333333 0.5000000), wk = 0.0031847 k( 262) = ( 0.0266667 0.0266667 0.5000000), wk = 0.0031847 k( 263) = ( 0.0200000 0.0200000 0.5000000), wk = 0.0031847 k( 264) = ( 0.0133333 0.0133333 0.5000000), wk = 0.0031847 k( 265) = ( 0.0066667 0.0066667 0.5000000), wk = 0.0031847 k( 266) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031847 k( 267) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031847 k( 268) = ( 0.5000000 0.0000000 0.4782609), wk = 0.0031847 k( 269) = ( 0.5000000 0.0000000 0.4565217), wk = 0.0031847 k( 270) = ( 0.5000000 0.0000000 0.4347826), wk = 0.0031847 k( 271) = ( 0.5000000 0.0000000 0.4130435), wk = 0.0031847 k( 272) = ( 0.5000000 0.0000000 0.3913044), wk = 0.0031847 k( 273) = ( 0.5000000 0.0000000 0.3695652), wk = 0.0031847 k( 274) = ( 0.5000000 0.0000000 0.3478261), wk = 0.0031847 k( 275) = ( 0.5000000 0.0000000 0.3260870), wk = 0.0031847 k( 276) = ( 0.5000000 0.0000000 0.3043478), wk = 0.0031847 k( 277) = ( 0.5000000 0.0000000 0.2826087), wk = 0.0031847 k( 278) = ( 0.5000000 0.0000000 0.2608696), wk = 0.0031847 k( 279) = ( 0.5000000 0.0000000 0.2391304), wk = 0.0031847 k( 280) = ( 0.5000000 0.0000000 0.2173913), wk = 0.0031847 k( 281) = ( 0.5000000 0.0000000 0.1956522), wk = 0.0031847 k( 282) = ( 0.5000000 0.0000000 0.1739130), wk = 0.0031847 k( 283) = ( 0.5000000 0.0000000 0.1521739), wk = 0.0031847 k( 284) = ( 0.5000000 0.0000000 0.1304348), wk = 0.0031847 k( 285) = ( 0.5000000 0.0000000 0.1086957), wk = 0.0031847 k( 286) = ( 0.5000000 0.0000000 0.0869565), wk = 0.0031847 k( 287) = ( 0.5000000 0.0000000 0.0652174), wk = 0.0031847 k( 288) = ( 0.5000000 0.0000000 0.0434783), wk = 0.0031847 k( 289) = ( 0.5000000 0.0000000 0.0217391), wk = 0.0031847 k( 290) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0031847 k( 291) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0031847 k( 292) = ( 0.3333333 0.3333333 0.0217391), wk = 0.0031847 k( 293) = ( 0.3333333 0.3333333 0.0434783), wk = 0.0031847 k( 294) = ( 0.3333333 0.3333333 0.0652174), wk = 0.0031847 k( 295) = ( 0.3333333 0.3333333 0.0869565), wk = 0.0031847 k( 296) = ( 0.3333333 0.3333333 0.1086957), wk = 0.0031847 k( 297) = ( 0.3333333 0.3333333 0.1304348), wk = 0.0031847 k( 298) = ( 0.3333333 0.3333333 0.1521739), wk = 0.0031847 k( 299) = ( 0.3333333 0.3333333 0.1739130), wk = 0.0031847 k( 300) = ( 0.3333333 0.3333333 0.1956522), wk = 0.0031847 k( 301) = ( 0.3333333 0.3333333 0.2173913), wk = 0.0031847 k( 302) = ( 0.3333333 0.3333333 0.2391304), wk = 0.0031847 k( 303) = ( 0.3333333 0.3333333 0.2608696), wk = 0.0031847 k( 304) = ( 0.3333333 0.3333333 0.2826087), wk = 0.0031847 k( 305) = ( 0.3333333 0.3333333 0.3043478), wk = 0.0031847 k( 306) = ( 0.3333333 0.3333333 0.3260870), wk = 0.0031847 k( 307) = ( 0.3333333 0.3333333 0.3478261), wk = 0.0031847 k( 308) = ( 0.3333333 0.3333333 0.3695652), wk = 0.0031847 k( 309) = ( 0.3333333 0.3333333 0.3913044), wk = 0.0031847 k( 310) = ( 0.3333333 0.3333333 0.4130435), wk = 0.0031847 k( 311) = ( 0.3333333 0.3333333 0.4347826), wk = 0.0031847 k( 312) = ( 0.3333333 0.3333333 0.4565217), wk = 0.0031847 k( 313) = ( 0.3333333 0.3333333 0.4782609), wk = 0.0031847 k( 314) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0031847 Dense grid: 279185 G-vectors FFT dimensions: ( 75, 75, 120) Smooth grid: 53805 G-vectors FFT dimensions: ( 45, 45, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.19 Mb ( 284, 44) NL pseudopotentials 0.13 Mb ( 142, 62) Each V/rho on FFT grid 0.26 Mb ( 16875) Each G-vector array 0.04 Mb ( 5818) G-vector shells 0.02 Mb ( 2696) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.76 Mb ( 284, 176) Each subspace H/S matrix 0.47 Mb ( 176, 176) Each matrix 0.08 Mb ( 62, 2, 44) The potential is recalculated from file : ./NaMnSe2.save/charge-density.dat Starting wfc are 46 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 39.7 secs Computing kpt #: 2 total cpu time spent up to now is 41.0 secs Computing kpt #: 3 total cpu time spent up to now is 42.3 secs Computing kpt #: 4 total cpu time spent up to now is 43.7 secs Computing kpt #: 5 total cpu time spent up to now is 45.1 secs Computing kpt #: 6 total cpu time spent up to now is 46.4 secs Computing kpt #: 7 total cpu time spent up to now is 47.8 secs Computing kpt #: 8 total cpu time spent up to now is 49.2 secs Computing kpt #: 9 total cpu time spent up to now is 50.6 secs Computing kpt #: 10 total cpu time spent up to now is 52.0 secs Computing kpt #: 11 total cpu time spent up to now is 53.5 secs Computing kpt #: 12 total cpu time spent up to now is 54.9 secs Computing kpt #: 13 total cpu time spent up to now is 56.2 secs Computing kpt #: 14 total cpu time spent up to now is 57.6 secs Computing kpt #: 15 total cpu time spent up to now is 59.0 secs Computing kpt #: 16 total cpu time spent up to now is 60.4 secs Computing kpt #: 17 total cpu time spent up to now is 61.8 secs Computing kpt #: 18 total cpu time spent up to now is 63.3 secs Computing kpt #: 19 total cpu time spent up to now is 64.7 secs Computing kpt #: 20 total cpu time spent up to now is 66.2 secs Computing kpt #: 21 total cpu time spent up to now is 68.2 secs Computing kpt #: 22 total cpu time spent up to now is 69.8 secs Computing kpt #: 23 total cpu time spent up to now is 71.3 secs Computing kpt #: 24 total cpu time spent up to now is 72.7 secs Computing kpt #: 25 total cpu time spent up to now is 74.3 secs Computing kpt #: 26 total cpu time spent up to now is 76.0 secs Computing kpt #: 27 total cpu time spent up to now is 77.6 secs Computing kpt #: 28 total cpu time spent up to now is 79.1 secs Computing kpt #: 29 total cpu time spent up to now is 80.7 secs Computing kpt #: 30 total cpu time spent up to now is 82.2 secs Computing kpt #: 31 total cpu time spent up to now is 83.7 secs Computing kpt #: 32 total cpu time spent up to now is 85.3 secs Computing kpt #: 33 total cpu time spent up to now is 86.9 secs Computing kpt #: 34 total cpu time spent up to now is 88.4 secs Computing kpt #: 35 total cpu time spent up to now is 89.9 secs Computing kpt #: 36 total cpu time spent up to now is 91.4 secs Computing kpt #: 37 total cpu time spent up to now is 93.2 secs Computing kpt #: 38 total cpu time spent up to now is 94.6 secs Computing kpt #: 39 total cpu time spent up to now is 95.9 secs Computing kpt #: 40 total cpu time spent up to now is 97.5 secs Computing kpt #: 41 total cpu time spent up to now is 98.9 secs Computing kpt #: 42 total cpu time spent up to now is 100.5 secs Computing kpt #: 43 total cpu time spent up to now is 102.0 secs Computing kpt #: 44 total cpu time spent up to now is 103.3 secs Computing kpt #: 45 total cpu time spent up to now is 104.7 secs Computing kpt #: 46 total cpu time spent up to now is 106.1 secs Computing kpt #: 47 total cpu time spent up to now is 107.5 secs Computing kpt #: 48 total cpu time spent up to now is 108.9 secs Computing kpt #: 49 total cpu time spent up to now is 110.3 secs Computing kpt #: 50 total cpu time spent up to now is 111.7 secs Computing kpt #: 51 total cpu time spent up to now is 113.0 secs Computing kpt #: 52 total cpu time spent up to now is 114.5 secs Computing kpt #: 53 total cpu time spent up to now is 116.0 secs Computing kpt #: 54 total cpu time spent up to now is 117.6 secs Computing kpt #: 55 total cpu time spent up to now is 119.2 secs Computing kpt #: 56 total cpu time spent up to now is 120.6 secs Computing kpt #: 57 total cpu time spent up to now is 122.3 secs Computing kpt #: 58 total cpu time spent up to now is 124.0 secs Computing kpt #: 59 total cpu time spent up to now is 125.7 secs Computing kpt #: 60 total cpu time spent up to now is 127.9 secs Computing kpt #: 61 total cpu time spent up to now is 130.0 secs Computing kpt #: 62 total cpu time spent up to now is 131.9 secs Computing kpt #: 63 total cpu time spent up to now is 133.9 secs Computing kpt #: 64 total cpu time spent up to now is 135.7 secs Computing kpt #: 65 total cpu time spent up to now is 137.4 secs Computing kpt #: 66 total cpu time spent up to now is 139.2 secs Computing kpt #: 67 total cpu time spent up to now is 140.9 secs Computing kpt #: 68 total cpu time spent up to now is 142.6 secs Computing kpt #: 69 total cpu time spent up to now is 144.2 secs Computing kpt #: 70 total cpu time spent up to now is 146.0 secs Computing kpt #: 71 total cpu time spent up to now is 148.5 secs Computing kpt #: 72 total cpu time spent up to now is 150.3 secs Computing kpt #: 73 total cpu time spent up to now is 152.2 secs Computing kpt #: 74 total cpu time spent up to now is 153.9 secs Computing kpt #: 75 total cpu time spent up to now is 155.6 secs Computing kpt #: 76 total cpu time spent up to now is 157.3 secs Computing kpt #: 77 total cpu time spent up to now is 159.2 secs Computing kpt #: 78 total cpu time spent up to now is 161.0 secs Computing kpt #: 79 total cpu time spent up to now is 162.9 secs Computing kpt #: 80 total cpu time spent up to now is 165.0 secs Computing kpt #: 81 total cpu time spent up to now is 167.0 secs Computing kpt #: 82 total cpu time spent up to now is 169.4 secs Computing kpt #: 83 total cpu time spent up to now is 171.6 secs Computing kpt #: 84 total cpu time spent up to now is 173.8 secs Computing kpt #: 85 total cpu time spent up to now is 175.9 secs Computing kpt #: 86 total cpu time spent up to now is 177.7 secs Computing kpt #: 87 total cpu time spent up to now is 179.4 secs Computing kpt #: 88 total cpu time spent up to now is 181.1 secs Computing kpt #: 89 total cpu time spent up to now is 182.8 secs Computing kpt #: 90 total cpu time spent up to now is 184.4 secs Computing kpt #: 91 total cpu time spent up to now is 186.0 secs Computing kpt #: 92 total cpu time spent up to now is 187.6 secs Computing kpt #: 93 total cpu time spent up to now is 189.2 secs Computing kpt #: 94 total cpu time spent up to now is 190.8 secs Computing kpt #: 95 total cpu time spent up to now is 192.3 secs Computing kpt #: 96 total cpu time spent up to now is 193.9 secs Computing kpt #: 97 total cpu time spent up to now is 195.4 secs Computing kpt #: 98 total cpu time spent up to now is 196.9 secs Computing kpt #: 99 total cpu time spent up to now is 198.4 secs Computing kpt #: 100 total cpu time spent up to now is 200.0 secs Computing kpt #: 101 total cpu time spent up to now is 201.5 secs Computing kpt #: 102 total cpu time spent up to now is 202.9 secs Computing kpt #: 103 total cpu time spent up to now is 204.3 secs Computing kpt #: 104 total cpu time spent up to now is 205.8 secs Computing kpt #: 105 total cpu time spent up to now is 207.2 secs Computing kpt #: 106 total cpu time spent up to now is 208.5 secs Computing kpt #: 107 total cpu time spent up to now is 209.9 secs Computing kpt #: 108 total cpu time spent up to now is 211.3 secs Computing kpt #: 109 total cpu time spent up to now is 212.7 secs Computing kpt #: 110 total cpu time spent up to now is 214.0 secs Computing kpt #: 111 total cpu time spent up to now is 215.3 secs Computing kpt #: 112 total cpu time spent up to now is 216.7 secs Computing kpt #: 113 total cpu time spent up to now is 218.0 secs Computing kpt #: 114 total cpu time spent up to now is 219.4 secs Computing kpt #: 115 total cpu time spent up to now is 220.7 secs Computing kpt #: 116 total cpu time spent up to now is 222.1 secs Computing kpt #: 117 total cpu time spent up to now is 223.6 secs Computing kpt #: 118 total cpu time spent up to now is 225.0 secs Computing kpt #: 119 total cpu time spent up to now is 226.4 secs Computing kpt #: 120 total cpu time spent up to now is 227.7 secs Computing kpt #: 121 total cpu time spent up to now is 229.0 secs Computing kpt #: 122 total cpu time spent up to now is 230.4 secs Computing kpt #: 123 total cpu time spent up to now is 231.7 secs Computing kpt #: 124 total cpu time spent up to now is 233.0 secs Computing kpt #: 125 total cpu time spent up to now is 234.4 secs Computing kpt #: 126 total cpu time spent up to now is 235.9 secs Computing kpt #: 127 total cpu time spent up to now is 237.3 secs Computing kpt #: 128 total cpu time spent up to now is 238.6 secs Computing kpt #: 129 total cpu time spent up to now is 239.9 secs Computing kpt #: 130 total cpu time spent up to now is 241.3 secs Computing kpt #: 131 total cpu time spent up to now is 242.7 secs Computing kpt #: 132 total cpu time spent up to now is 244.0 secs Computing kpt #: 133 total cpu time spent up to now is 245.3 secs Computing kpt #: 134 total cpu time spent up to now is 246.6 secs Computing kpt #: 135 total cpu time spent up to now is 248.0 secs Computing kpt #: 136 total cpu time spent up to now is 249.3 secs Computing kpt #: 137 total cpu time spent up to now is 250.7 secs Computing kpt #: 138 total cpu time spent up to now is 252.0 secs Computing kpt #: 139 total cpu time spent up to now is 253.5 secs Computing kpt #: 140 total cpu time spent up to now is 255.0 secs Computing kpt #: 141 total cpu time spent up to now is 256.3 secs Computing kpt #: 142 total cpu time spent up to now is 257.6 secs Computing kpt #: 143 total cpu time spent up to now is 258.9 secs Computing kpt #: 144 total cpu time spent up to now is 260.3 secs Computing kpt #: 145 total cpu time spent up to now is 261.6 secs Computing kpt #: 146 total cpu time spent up to now is 262.9 secs Computing kpt #: 147 total cpu time spent up to now is 264.3 secs Computing kpt #: 148 total cpu time spent up to now is 265.6 secs Computing kpt #: 149 total cpu time spent up to now is 267.1 secs Computing kpt #: 150 total cpu time spent up to now is 268.3 secs Computing kpt #: 151 total cpu time spent up to now is 269.6 secs Computing kpt #: 152 total cpu time spent up to now is 271.0 secs Computing kpt #: 153 total cpu time spent up to now is 272.4 secs Computing kpt #: 154 total cpu time spent up to now is 273.7 secs Computing kpt #: 155 total cpu time spent up to now is 275.0 secs Computing kpt #: 156 total cpu time spent up to now is 276.3 secs Computing kpt #: 157 total cpu time spent up to now is 277.7 secs Computing kpt #: 158 total cpu time spent up to now is 279.1 secs Computing kpt #: 159 total cpu time spent up to now is 280.5 secs Computing kpt #: 160 total cpu time spent up to now is 282.0 secs Computing kpt #: 161 total cpu time spent up to now is 283.6 secs Computing kpt #: 162 total cpu time spent up to now is 285.1 secs Computing kpt #: 163 total cpu time spent up to now is 286.7 secs Computing kpt #: 164 total cpu time spent up to now is 288.3 secs Computing kpt #: 165 total cpu time spent up to now is 290.0 secs Computing kpt #: 166 total cpu time spent up to now is 291.7 secs Computing kpt #: 167 total cpu time spent up to now is 293.4 secs Computing kpt #: 168 total cpu time spent up to now is 295.1 secs Computing kpt #: 169 total cpu time spent up to now is 297.1 secs Computing kpt #: 170 total cpu time spent up to now is 298.8 secs Computing kpt #: 171 total cpu time spent up to now is 300.4 secs Computing kpt #: 172 total cpu time spent up to now is 302.1 secs Computing kpt #: 173 total cpu time spent up to now is 303.8 secs Computing kpt #: 174 total cpu time spent up to now is 305.5 secs Computing kpt #: 175 total cpu time spent up to now is 307.2 secs Computing kpt #: 176 total cpu time spent up to now is 308.9 secs Computing kpt #: 177 total cpu time spent up to now is 310.6 secs Computing kpt #: 178 total cpu time spent up to now is 312.3 secs Computing kpt #: 179 total cpu time spent up to now is 314.1 secs Computing kpt #: 180 total cpu time spent up to now is 315.9 secs Computing kpt #: 181 total cpu time spent up to now is 317.6 secs Computing kpt #: 182 total cpu time spent up to now is 319.4 secs Computing kpt #: 183 total cpu time spent up to now is 321.0 secs Computing kpt #: 184 total cpu time spent up to now is 322.7 secs Computing kpt #: 185 total cpu time spent up to now is 324.5 secs Computing kpt #: 186 total cpu time spent up to now is 326.2 secs Computing kpt #: 187 total cpu time spent up to now is 328.0 secs Computing kpt #: 188 total cpu time spent up to now is 329.7 secs Computing kpt #: 189 total cpu time spent up to now is 331.6 secs Computing kpt #: 190 total cpu time spent up to now is 333.3 secs Computing kpt #: 191 total cpu time spent up to now is 335.0 secs Computing kpt #: 192 total cpu time spent up to now is 336.8 secs Computing kpt #: 193 total cpu time spent up to now is 338.5 secs Computing kpt #: 194 total cpu time spent up to now is 340.3 secs Computing kpt #: 195 total cpu time spent up to now is 342.0 secs Computing kpt #: 196 total cpu time spent up to now is 343.8 secs Computing kpt #: 197 total cpu time spent up to now is 345.6 secs Computing kpt #: 198 total cpu time spent up to now is 347.6 secs Computing kpt #: 199 total cpu time spent up to now is 349.9 secs Computing kpt #: 200 total cpu time spent up to now is 351.9 secs Computing kpt #: 201 total cpu time spent up to now is 353.9 secs Computing kpt #: 202 total cpu time spent up to now is 355.9 secs Computing kpt #: 203 total cpu time spent up to now is 357.6 secs Computing kpt #: 204 total cpu time spent up to now is 359.4 secs Computing kpt #: 205 total cpu time spent up to now is 361.2 secs Computing kpt #: 206 total cpu time spent up to now is 362.9 secs Computing kpt #: 207 total cpu time spent up to now is 364.7 secs Computing kpt #: 208 total cpu time spent up to now is 366.3 secs Computing kpt #: 209 total cpu time spent up to now is 368.1 secs Computing kpt #: 210 total cpu time spent up to now is 369.8 secs Computing kpt #: 211 total cpu time spent up to now is 371.4 secs Computing kpt #: 212 total cpu time spent up to now is 373.0 secs Computing kpt #: 213 total cpu time spent up to now is 374.7 secs Computing kpt #: 214 total cpu time spent up to now is 376.3 secs Computing kpt #: 215 total cpu time spent up to now is 377.8 secs Computing kpt #: 216 total cpu time spent up to now is 379.4 secs Computing kpt #: 217 total cpu time spent up to now is 381.0 secs Computing kpt #: 218 total cpu time spent up to now is 382.5 secs Computing kpt #: 219 total cpu time spent up to now is 384.1 secs Computing kpt #: 220 total cpu time spent up to now is 385.7 secs Computing kpt #: 221 total cpu time spent up to now is 387.3 secs Computing kpt #: 222 total cpu time spent up to now is 388.9 secs Computing kpt #: 223 total cpu time spent up to now is 390.5 secs Computing kpt #: 224 total cpu time spent up to now is 392.1 secs Computing kpt #: 225 total cpu time spent up to now is 393.8 secs Computing kpt #: 226 total cpu time spent up to now is 395.5 secs Computing kpt #: 227 total cpu time spent up to now is 397.2 secs Computing kpt #: 228 total cpu time spent up to now is 399.0 secs Computing kpt #: 229 total cpu time spent up to now is 400.8 secs Computing kpt #: 230 total cpu time spent up to now is 402.5 secs Computing kpt #: 231 total cpu time spent up to now is 404.5 secs Computing kpt #: 232 total cpu time spent up to now is 406.3 secs Computing kpt #: 233 total cpu time spent up to now is 408.0 secs Computing kpt #: 234 total cpu time spent up to now is 410.2 secs Computing kpt #: 235 total cpu time spent up to now is 412.2 secs Computing kpt #: 236 total cpu time spent up to now is 414.2 secs Computing kpt #: 237 total cpu time spent up to now is 416.1 secs Computing kpt #: 238 total cpu time spent up to now is 418.2 secs Computing kpt #: 239 total cpu time spent up to now is 420.2 secs Computing kpt #: 240 total cpu time spent up to now is 422.2 secs Computing kpt #: 241 total cpu time spent up to now is 424.0 secs Computing kpt #: 242 total cpu time spent up to now is 425.9 secs Computing kpt #: 243 total cpu time spent up to now is 427.7 secs Computing kpt #: 244 total cpu time spent up to now is 429.5 secs Computing kpt #: 245 total cpu time spent up to now is 431.2 secs Computing kpt #: 246 total cpu time spent up to now is 432.9 secs Computing kpt #: 247 total cpu time spent up to now is 434.5 secs Computing kpt #: 248 total cpu time spent up to now is 436.2 secs Computing kpt #: 249 total cpu time spent up to now is 437.8 secs Computing kpt #: 250 total cpu time spent up to now is 439.4 secs Computing kpt #: 251 total cpu time spent up to now is 440.9 secs Computing kpt #: 252 total cpu time spent up to now is 442.3 secs Computing kpt #: 253 total cpu time spent up to now is 443.6 secs Computing kpt #: 254 total cpu time spent up to now is 445.0 secs Computing kpt #: 255 total cpu time spent up to now is 446.8 secs Computing kpt #: 256 total cpu time spent up to now is 449.0 secs Computing kpt #: 257 total cpu time spent up to now is 451.4 secs Computing kpt #: 258 total cpu time spent up to now is 452.9 secs Computing kpt #: 259 total cpu time spent up to now is 454.4 secs Computing kpt #: 260 total cpu time spent up to now is 455.7 secs Computing kpt #: 261 total cpu time spent up to now is 457.0 secs Computing kpt #: 262 total cpu time spent up to now is 458.3 secs Computing kpt #: 263 total cpu time spent up to now is 459.6 secs Computing kpt #: 264 total cpu time spent up to now is 460.9 secs Computing kpt #: 265 total cpu time spent up to now is 462.2 secs Computing kpt #: 266 total cpu time spent up to now is 463.5 secs Computing kpt #: 267 total cpu time spent up to now is 465.3 secs Computing kpt #: 268 total cpu time spent up to now is 466.9 secs Computing kpt #: 269 total cpu time spent up to now is 468.9 secs Computing kpt #: 270 total cpu time spent up to now is 470.7 secs Computing kpt #: 271 total cpu time spent up to now is 472.4 secs Computing kpt #: 272 total cpu time spent up to now is 474.1 secs Computing kpt #: 273 total cpu time spent up to now is 475.8 secs Computing kpt #: 274 total cpu time spent up to now is 477.3 secs Computing kpt #: 275 total cpu time spent up to now is 478.7 secs Computing kpt #: 276 total cpu time spent up to now is 480.3 secs Computing kpt #: 277 total cpu time spent up to now is 482.0 secs Computing kpt #: 278 total cpu time spent up to now is 483.4 secs Computing kpt #: 279 total cpu time spent up to now is 484.8 secs Computing kpt #: 280 total cpu time spent up to now is 486.4 secs Computing kpt #: 281 total cpu time spent up to now is 488.0 secs Computing kpt #: 282 total cpu time spent up to now is 489.4 secs Computing kpt #: 283 total cpu time spent up to now is 490.8 secs Computing kpt #: 284 total cpu time spent up to now is 492.2 secs Computing kpt #: 285 total cpu time spent up to now is 493.5 secs Computing kpt #: 286 total cpu time spent up to now is 495.1 secs Computing kpt #: 287 total cpu time spent up to now is 496.6 secs Computing kpt #: 288 total cpu time spent up to now is 497.9 secs Computing kpt #: 289 total cpu time spent up to now is 499.4 secs Computing kpt #: 290 total cpu time spent up to now is 501.0 secs Computing kpt #: 291 total cpu time spent up to now is 502.7 secs Computing kpt #: 292 total cpu time spent up to now is 504.3 secs Computing kpt #: 293 total cpu time spent up to now is 506.2 secs Computing kpt #: 294 total cpu time spent up to now is 507.9 secs Computing kpt #: 295 total cpu time spent up to now is 509.7 secs Computing kpt #: 296 total cpu time spent up to now is 511.5 secs Computing kpt #: 297 total cpu time spent up to now is 513.4 secs Computing kpt #: 298 total cpu time spent up to now is 515.1 secs Computing kpt #: 299 total cpu time spent up to now is 517.0 secs Computing kpt #: 300 total cpu time spent up to now is 518.9 secs Computing kpt #: 301 total cpu time spent up to now is 520.8 secs Computing kpt #: 302 total cpu time spent up to now is 523.0 secs Computing kpt #: 303 total cpu time spent up to now is 525.2 secs Computing kpt #: 304 total cpu time spent up to now is 527.0 secs Computing kpt #: 305 total cpu time spent up to now is 528.6 secs Computing kpt #: 306 total cpu time spent up to now is 530.3 secs Computing kpt #: 307 total cpu time spent up to now is 531.9 secs Computing kpt #: 308 total cpu time spent up to now is 533.5 secs Computing kpt #: 309 total cpu time spent up to now is 535.2 secs Computing kpt #: 310 total cpu time spent up to now is 536.8 secs Computing kpt #: 311 total cpu time spent up to now is 538.4 secs Computing kpt #: 312 total cpu time spent up to now is 540.0 secs Computing kpt #: 313 total cpu time spent up to now is 541.6 secs Computing kpt #: 314 total cpu time spent up to now is 543.2 secs ethr = 2.78E-11, avg # of iterations = 26.1 total cpu time spent up to now is 543.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6707 PWs) bands (ev): -74.9685 -74.9685 -47.5619 -47.5619 -44.5931 -44.5931 -43.3782 -43.3782 -43.2651 -43.2651 -19.6082 -19.6082 -19.4322 -19.4322 -19.4274 -19.4274 -9.1337 -9.1337 -7.5562 -7.5562 0.3025 0.3025 0.8962 0.8962 1.0454 1.0454 2.1149 2.1149 3.3095 3.3095 3.3985 3.3985 4.0752 4.0752 4.2612 4.2612 5.0622 5.0622 5.4274 5.4274 5.4814 5.4814 5.8324 5.8324 k = 0.0116 0.0067-0.0000 ( 6713 PWs) bands (ev): -74.9685 -74.9685 -47.5619 -47.5619 -44.5931 -44.5931 -43.3782 -43.3782 -43.2651 -43.2651 -19.6083 -19.6082 -19.4323 -19.4323 -19.4274 -19.4274 -9.1333 -9.1332 -7.5560 -7.5559 0.3026 0.3041 0.8940 0.8962 1.0443 1.0443 2.1143 2.1155 3.3083 3.3093 3.3980 3.3980 4.0725 4.0746 4.2592 4.2592 5.0553 5.0651 5.4126 5.4292 5.4735 5.4748 5.8460 5.8517 k = 0.0233 0.0134-0.0000 ( 6713 PWs) bands (ev): -74.9685 -74.9685 -47.5619 -47.5619 -44.5931 -44.5931 -43.3782 -43.3782 -43.2651 -43.2651 -19.6083 -19.6082 -19.4323 -19.4323 -19.4275 -19.4274 -9.1320 -9.1318 -7.5552 -7.5551 0.3044 0.3076 0.8895 0.8939 1.0410 1.0411 2.1139 2.1163 3.3056 3.3075 3.3965 3.3965 4.0664 4.0707 4.2532 4.2534 5.0445 5.0641 5.3827 5.4157 5.4580 5.4626 5.8883 5.8974 k = 0.0349 0.0201-0.0000 ( 6722 PWs) bands (ev): -74.9685 -74.9685 -47.5620 -47.5620 -44.5931 -44.5931 -43.3783 -43.3783 -43.2651 -43.2651 -19.6084 -19.6083 -19.4323 -19.4323 -19.4275 -19.4274 -9.1298 -9.1296 -7.5539 -7.5538 0.3080 0.3129 0.8824 0.8893 1.0359 1.0362 2.1136 2.1173 3.3014 3.3042 3.3940 3.3940 4.0567 4.0634 4.2435 4.2442 5.0292 5.0587 5.3414 5.3846 5.4472 5.4508 5.9495 5.9601 k = 0.0465 0.0269-0.0000 ( 6732 PWs) bands (ev): -74.9685 -74.9685 -47.5620 -47.5620 -44.5932 -44.5932 -43.3783 -43.3783 -43.2652 -43.2652 -19.6084 -19.6083 -19.4324 -19.4324 -19.4276 -19.4274 -9.1268 -9.1264 -7.5520 -7.5519 0.3133 0.3200 0.8722 0.8817 1.0295 1.0301 2.1134 2.1183 3.2956 3.2990 3.3906 3.3908 4.0433 4.0524 4.2309 4.2323 5.0093 5.0481 5.2961 5.3462 5.4384 5.4391 6.0222 6.0332 k = 0.0581 0.0336-0.0000 ( 6726 PWs) bands (ev): -74.9685 -74.9685 -47.5619 -47.5619 -44.5932 -44.5931 -43.3783 -43.3783 -43.2651 -43.2651 -19.6085 -19.6083 -19.4325 -19.4325 -19.4276 -19.4274 -9.1229 -9.1224 -7.5497 -7.5495 0.3203 0.3289 0.8585 0.8708 1.0226 1.0236 2.1133 2.1194 3.2878 3.2917 3.3865 3.3869 4.0260 4.0378 4.2161 4.2187 4.9843 5.0313 5.2523 5.3076 5.4265 5.4288 6.1023 6.1132 k = 0.0698 0.0403-0.0000 ( 6722 PWs) bands (ev): -74.9685 -74.9685 -47.5619 -47.5619 -44.5932 -44.5931 -43.3783 -43.3783 -43.2651 -43.2651 -19.6085 -19.6083 -19.4326 -19.4325 -19.4276 -19.4274 -9.1181 -9.1175 -7.5468 -7.5466 0.3287 0.3396 0.8407 0.8561 1.0158 1.0172 2.1132 2.1206 3.2778 3.2819 3.3818 3.3825 4.0049 4.0192 4.2000 4.2039 4.9545 5.0072 5.2132 5.2717 5.4125 5.4175 6.1873 6.1980 k = 0.0814 0.0470-0.0000 ( 6716 PWs) bands (ev): -74.9685 -74.9684 -47.5619 -47.5619 -44.5932 -44.5931 -43.3783 -43.3783 -43.2651 -43.2651 -19.6086 -19.6084 -19.4326 -19.4326 -19.4276 -19.4274 -9.1125 -9.1119 -7.5434 -7.5432 0.3385 0.3519 0.8188 0.8374 1.0098 1.0115 2.1132 2.1219 3.2653 3.2691 3.3766 3.3778 3.9801 3.9967 4.1833 4.1887 4.9203 4.9756 5.1802 5.2391 5.3969 5.4043 6.2759 6.2865 k = 0.0930 0.0537-0.0000 ( 6712 PWs) bands (ev): -74.9684 -74.9684 -47.5619 -47.5619 -44.5932 -44.5931 -43.3783 -43.3783 -43.2651 -43.2651 -19.6086 -19.6084 -19.4327 -19.4327 -19.4276 -19.4274 -9.1061 -9.1054 -7.5396 -7.5393 0.3494 0.3658 0.7925 0.8147 1.0048 1.0066 2.1132 2.1232 3.2499 3.2531 3.3711 3.3729 3.9523 3.9708 4.1666 4.1734 4.8825 4.9378 5.1528 5.2096 5.3797 5.3893 6.3672 6.3776 k = 0.1047 0.0604-0.0000 ( 6722 PWs) bands (ev): -74.9684 -74.9684 -47.5619 -47.5619 -44.5932 -44.5932 -43.3784 -43.3783 -43.2652 -43.2652 -19.6087 -19.6085 -19.4329 -19.4329 -19.4276 -19.4274 -9.0989 -9.0981 -7.5353 -7.5350 0.3613 0.3813 0.7624 0.7885 1.0009 1.0028 2.1132 2.1245 3.2312 3.2333 3.3655 3.3680 3.9222 3.9422 4.1503 4.1582 4.8422 4.8956 5.1291 5.1825 5.3610 5.3727 6.4602 6.4707 k = 0.1163 0.0671-0.0000 ( 6724 PWs) bands (ev): -74.9684 -74.9684 -47.5619 -47.5619 -44.5932 -44.5932 -43.3784 -43.3783 -43.2652 -43.2652 -19.6088 -19.6086 -19.4331 -19.4330 -19.4276 -19.4274 -9.0910 -9.0901 -7.5305 -7.5303 0.3735 0.3981 0.7288 0.7596 0.9981 0.9999 2.1131 2.1258 3.2089 3.2096 3.3598 3.3632 3.8908 3.9116 4.1343 4.1433 4.8003 4.8510 5.1075 5.1569 5.3408 5.3544 6.5545 6.5650 k = 0.1279 0.0738-0.0000 ( 6728 PWs) bands (ev): -74.9684 -74.9684 -47.5619 -47.5619 -44.5933 -44.5932 -43.3784 -43.3783 -43.2652 -43.2652 -19.6089 -19.6086 -19.4332 -19.4332 -19.4276 -19.4274 -9.0824 -9.0814 -7.5254 -7.5251 0.3854 0.4160 0.6924 0.7293 0.9962 0.9978 2.1130 2.1271 3.1816 3.1828 3.3542 3.3584 3.8590 3.8801 4.1187 4.1285 4.7576 4.8055 5.0866 5.1320 5.3193 5.3346 6.6494 6.6600 k = 0.1395 0.0806-0.0000 ( 6728 PWs) bands (ev): -74.9684 -74.9684 -47.5619 -47.5619 -44.5933 -44.5932 -43.3784 -43.3783 -43.2652 -43.2652 -19.6090 -19.6087 -19.4334 -19.4334 -19.4277 -19.4274 -9.0730 -9.0720 -7.5198 -7.5195 0.3957 0.4342 0.6543 0.6990 0.9951 0.9965 2.1126 2.1283 3.1493 3.1527 3.3487 3.3537 3.8277 3.8487 4.1034 4.1139 4.7148 4.7599 5.0654 5.1072 5.2966 5.3136 6.7443 6.7551 k = 0.1512 0.0873-0.0000 ( 6726 PWs) bands (ev): -74.9684 -74.9684 -47.5619 -47.5619 -44.5933 -44.5932 -43.3784 -43.3783 -43.2652 -43.2652 -19.6091 -19.6088 -19.4336 -19.4335 -19.4277 -19.4274 -9.0631 -9.0620 -7.5139 -7.5136 0.4025 0.4513 0.6164 0.6713 0.9945 0.9957 2.1121 2.1294 3.1127 3.1187 3.3432 3.3491 3.7975 3.8180 4.0884 4.0993 4.6722 4.7150 5.0434 5.0819 5.2729 5.2913 6.8386 6.8496 k = 0.1628 0.0940-0.0000 ( 6738 PWs) bands (ev): -74.9684 -74.9684 -47.5619 -47.5619 -44.5933 -44.5932 -43.3785 -43.3784 -43.2653 -43.2653 -19.6093 -19.6089 -19.4338 -19.4337 -19.4277 -19.4274 -9.0526 -9.0514 -7.5077 -7.5073 0.4028 0.4625 0.5836 0.6493 0.9945 0.9954 2.1112 2.1304 3.0721 3.0809 3.3378 3.3445 3.7690 3.7888 4.0735 4.0849 4.6303 4.6709 5.0201 5.0559 5.2482 5.2680 6.9316 6.9429 k = 0.1744 0.1007-0.0000 ( 6736 PWs) bands (ev): -74.9684 -74.9684 -47.5619 -47.5619 -44.5933 -44.5932 -43.3785 -43.3784 -43.2653 -43.2653 -19.6094 -19.6090 -19.4340 -19.4339 -19.4277 -19.4274 -9.0415 -9.0403 -7.5011 -7.5007 0.3935 0.4571 0.5673 0.6366 0.9949 0.9956 2.1101 2.1311 3.0277 3.0396 3.3326 3.3399 3.7425 3.7613 4.0588 4.0705 4.5893 4.6281 4.9954 5.0288 5.2228 5.2437 7.0227 7.0343 k = 0.1860 0.1074-0.0000 ( 6728 PWs) bands (ev): -74.9684 -74.9684 -47.5619 -47.5619 -44.5933 -44.5932 -43.3785 -43.3784 -43.2653 -43.2653 -19.6095 -19.6091 -19.4342 -19.4341 -19.4277 -19.4274 -9.0300 -9.0287 -7.4943 -7.4939 0.3730 0.4287 0.5738 0.6351 0.9957 0.9961 2.1085 2.1317 2.9800 2.9952 3.3274 3.3353 3.7182 3.7360 4.0442 4.0563 4.5494 4.5866 4.9691 5.0005 5.1967 5.2187 7.1111 7.1230 k = 0.1977 0.1141-0.0000 ( 6720 PWs) bands (ev): -74.9684 -74.9684 -47.5619 -47.5619 -44.5933 -44.5932 -43.3785 -43.3784 -43.2653 -43.2653 -19.6096 -19.6092 -19.4344 -19.4343 -19.4276 -19.4273 -9.0180 -9.0167 -7.4872 -7.4868 0.3426 0.3873 0.5936 0.6437 0.9968 0.9970 2.1065 2.1320 2.9296 2.9482 3.3223 3.3308 3.6960 3.7129 4.0299 4.0423 4.5106 4.5465 4.9410 4.9707 5.1702 5.1931 7.1961 7.2084 k = 0.2093 0.1208-0.0000 ( 6712 PWs) bands (ev): -74.9684 -74.9684 -47.5619 -47.5619 -44.5933 -44.5932 -43.3785 -43.3783 -43.2653 -43.2653 -19.6097 -19.6093 -19.4346 -19.4345 -19.4276 -19.4273 -9.0057 -9.0043 -7.4800 -7.4795 0.3051 0.3407 0.6190 0.6599 0.9982 0.9982 2.1040 2.1319 2.8769 2.8991 3.3173 3.3262 3.6760 3.6920 4.0158 4.0284 4.4730 4.5079 4.9112 4.9396 5.1433 5.1669 7.2771 7.2897 k = 0.2209 0.1276-0.0000 ( 6722 PWs) bands (ev): -74.9684 -74.9684 -47.5619 -47.5619 -44.5933 -44.5933 -43.3785 -43.3784 -43.2654 -43.2654 -19.6098 -19.6094 -19.4349 -19.4348 -19.4276 -19.4273 -8.9930 -8.9917 -7.4725 -7.4721 0.2630 0.2918 0.6473 0.6813 0.9997 0.9999 2.1007 2.1315 2.8226 2.8485 3.3123 3.3216 3.6579 3.6731 4.0019 4.0148 4.4368 4.4708 4.8797 4.9069 5.1162 5.1404 7.3532 7.3660 k = 0.2326 0.1343-0.0000 ( 6720 PWs) bands (ev): -74.9684 -74.9684 -47.5619 -47.5619 -44.5934 -44.5933 -43.3785 -43.3784 -43.2654 -43.2654 -19.6099 -19.6095 -19.4351 -19.4350 -19.4276 -19.4273 -8.9801 -8.9787 -7.4650 -7.4645 0.2181 0.2419 0.6775 0.7063 1.0017 1.0020 2.0968 2.1307 2.7674 2.7971 3.3074 3.3169 3.6417 3.6562 3.9884 4.0015 4.4018 4.4353 4.8464 4.8728 5.0890 5.1136 7.4238 7.4369 k = 0.2442 0.1410-0.0000 ( 6738 PWs) bands (ev): -74.9684 -74.9684 -47.5619 -47.5619 -44.5934 -44.5933 -43.3786 -43.3784 -43.2655 -43.2655 -19.6101 -19.6097 -19.4354 -19.4353 -19.4276 -19.4273 -8.9670 -8.9656 -7.4573 -7.4569 0.1716 0.1916 0.7088 0.7338 1.0041 1.0045 2.0921 2.1295 2.7116 2.7454 3.3025 3.3123 3.6272 3.6412 3.9753 3.9886 4.3682 4.4012 4.8115 4.8372 5.0619 5.0867 7.4884 7.5016 k = 0.2558 0.1477-0.0000 ( 6738 PWs) bands (ev): -74.9684 -74.9684 -47.5619 -47.5619 -44.5934 -44.5933 -43.3786 -43.3784 -43.2655 -43.2655 -19.6102 -19.6098 -19.4356 -19.4355 -19.4276 -19.4273 -8.9538 -8.9524 -7.4496 -7.4492 0.1243 0.1415 0.7408 0.7628 1.0070 1.0076 2.0864 2.1277 2.6558 2.6940 3.2978 3.3077 3.6143 3.6280 3.9626 3.9761 4.3359 4.3687 4.7751 4.8003 5.0350 5.0599 7.5465 7.5597 k = 0.2674 0.1544-0.0000 ( 6734 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5934 -44.5933 -43.3786 -43.3785 -43.2655 -43.2655 -19.6103 -19.6099 -19.4358 -19.4357 -19.4276 -19.4273 -8.9406 -8.9392 -7.4419 -7.4415 0.0769 0.0918 0.7732 0.7928 1.0107 1.0114 2.0797 2.1254 2.6005 2.6434 3.2932 3.3031 3.6029 3.6165 3.9505 3.9642 4.3049 4.3377 4.7373 4.7622 5.0084 5.0332 7.5979 7.6111 k = 0.2791 0.1611-0.0000 ( 6738 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5935 -44.5934 -43.3786 -43.3785 -43.2655 -43.2655 -19.6105 -19.6101 -19.4361 -19.4359 -19.4276 -19.4273 -8.9273 -8.9259 -7.4343 -7.4338 0.0299 0.0429 0.8053 0.8230 1.0155 1.0164 2.0720 2.1225 2.5461 2.5940 3.2886 3.2985 3.5931 3.6066 3.9389 3.9527 4.2752 4.3082 4.6983 4.7231 4.9822 5.0069 7.6426 7.6556 k = 0.2907 0.1678-0.0000 ( 6746 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5935 -44.5934 -43.3786 -43.3785 -43.2656 -43.2656 -19.6106 -19.6102 -19.4363 -19.4362 -19.4276 -19.4273 -8.9142 -8.9128 -7.4267 -7.4263 -0.0164 -0.0049 0.8366 0.8525 1.0217 1.0229 2.0630 2.1190 2.4929 2.5462 3.2842 3.2939 3.5846 3.5983 3.9279 3.9419 4.2466 4.2799 4.6584 4.6831 4.9566 4.9809 7.6807 7.6934 k = 0.3023 0.1745-0.0000 ( 6746 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5935 -44.5934 -43.3786 -43.3785 -43.2656 -43.2656 -19.6107 -19.6103 -19.4366 -19.4364 -19.4276 -19.4273 -8.9012 -8.8999 -7.4192 -7.4188 -0.0616 -0.0515 0.8661 0.8804 1.0302 1.0319 2.0528 2.1148 2.4413 2.5005 3.2799 3.2894 3.5776 3.5917 3.9176 3.9316 4.2191 4.2530 4.6177 4.6425 4.9316 4.9554 7.7126 7.7249 k = 0.3140 0.1813-0.0000 ( 6742 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5935 -44.5934 -43.3786 -43.3785 -43.2656 -43.2656 -19.6108 -19.6105 -19.4368 -19.4366 -19.4275 -19.4273 -8.8885 -8.8872 -7.4119 -7.4115 -0.1056 -0.0965 0.8927 0.9053 1.0418 1.0443 2.0414 2.1099 2.3916 2.4571 3.2758 3.2850 3.5721 3.5866 3.9079 3.9221 4.1926 4.2272 4.5767 4.6017 4.9073 4.9306 7.7389 7.7507 k = 0.3256 0.1880-0.0000 ( 6738 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5935 -44.5934 -43.3786 -43.3785 -43.2657 -43.2657 -19.6109 -19.6106 -19.4370 -19.4368 -19.4275 -19.4273 -8.8761 -8.8748 -7.4048 -7.4044 -0.1480 -0.1398 0.9152 0.9260 1.0575 1.0612 2.0287 2.1042 2.3441 2.4163 3.2718 3.2807 3.5682 3.5833 3.8989 3.9131 4.1669 4.2023 4.5356 4.5610 4.8840 4.9066 7.7601 7.7713 k = 0.3372 0.1947-0.0000 ( 6738 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5935 -44.5934 -43.3786 -43.3785 -43.2657 -43.2657 -19.6110 -19.6107 -19.4372 -19.4371 -19.4275 -19.4272 -8.8641 -8.8628 -7.3979 -7.3975 -0.1885 -0.1813 0.9330 0.9419 1.0777 1.0828 2.0148 2.0977 2.2991 2.3781 3.2680 3.2765 3.5658 3.5816 3.8906 3.9049 4.1419 4.1782 4.4949 4.5206 4.8615 4.8834 7.7769 7.7875 k = 0.3488 0.2014-0.0000 ( 6730 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5935 -44.5934 -43.3786 -43.3785 -43.2657 -43.2657 -19.6111 -19.6108 -19.4373 -19.4372 -19.4274 -19.4272 -8.8525 -8.8513 -7.3913 -7.3910 -0.2271 -0.2206 0.9462 0.9534 1.1021 1.1084 2.0000 2.0903 2.2568 2.3427 3.2643 3.2724 3.5651 3.5817 3.8830 3.8973 4.1173 4.1545 4.4551 4.4811 4.8402 4.8611 7.7900 7.7999 k = 0.3605 0.2081-0.0000 ( 6726 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5935 -44.5934 -43.3786 -43.3785 -43.2657 -43.2657 -19.6112 -19.6109 -19.4375 -19.4374 -19.4274 -19.4272 -8.8414 -8.8403 -7.3850 -7.3847 -0.2636 -0.2577 0.9557 0.9616 1.1294 1.1368 1.9845 2.0818 2.2177 2.3101 3.2609 3.2685 3.5661 3.5835 3.8760 3.8903 4.0930 4.1310 4.4167 4.4429 4.8200 4.8399 7.8000 7.8092 k = 0.3721 0.2148-0.0000 ( 6732 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5935 -44.5935 -43.3786 -43.3785 -43.2657 -43.2657 -19.6113 -19.6110 -19.4377 -19.4376 -19.4274 -19.4272 -8.8310 -8.8299 -7.3791 -7.3788 -0.2977 -0.2925 0.9626 0.9675 1.1584 1.1667 1.9687 2.0720 2.1823 2.2800 3.2576 3.2647 3.5689 3.5872 3.8696 3.8840 4.0686 4.1071 4.3803 4.4065 4.8011 4.8198 7.8075 7.8160 k = 0.3837 0.2215-0.0000 ( 6722 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5935 -44.5934 -43.3786 -43.3785 -43.2657 -43.2657 -19.6113 -19.6111 -19.4378 -19.4377 -19.4274 -19.4272 -8.8212 -8.8202 -7.3736 -7.3733 -0.3293 -0.3247 0.9677 0.9718 1.1880 1.1969 1.9530 2.0605 2.1511 2.2523 3.2546 3.2612 3.5735 3.5929 3.8637 3.8782 4.0442 4.0828 4.3465 4.3724 4.7835 4.8010 7.8130 7.8207 k = 0.3953 0.2283-0.0000 ( 6714 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5935 -44.5934 -43.3786 -43.3785 -43.2657 -43.2657 -19.6114 -19.6111 -19.4379 -19.4379 -19.4273 -19.4272 -8.8121 -8.8112 -7.3685 -7.3682 -0.3583 -0.3542 0.9716 0.9750 1.2172 1.2265 1.9379 2.0467 2.1250 2.2269 3.2519 3.2578 3.5801 3.6005 3.8581 3.8729 4.0195 4.0576 4.3159 4.3409 4.7674 4.7836 7.8170 7.8240 k = 0.4070 0.2350-0.0000 ( 6722 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5935 -44.5935 -43.3786 -43.3786 -43.2657 -43.2657 -19.6114 -19.6112 -19.4381 -19.4380 -19.4273 -19.4272 -8.8039 -8.8030 -7.3638 -7.3636 -0.3845 -0.3810 0.9745 0.9775 1.2454 1.2550 1.9239 2.0302 2.1046 2.2034 3.2494 3.2547 3.5886 3.6101 3.8527 3.8679 3.9947 4.0313 4.2889 4.3125 4.7529 4.7675 7.8198 7.8260 k = 0.4186 0.2417-0.0000 ( 6716 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5935 -44.5935 -43.3786 -43.3786 -43.2657 -43.2657 -19.6115 -19.6113 -19.4382 -19.4381 -19.4273 -19.4272 -8.7964 -8.7957 -7.3596 -7.3594 -0.4079 -0.4049 0.9768 0.9793 1.2719 1.2817 1.9116 2.0116 2.0895 2.1817 3.2472 3.2519 3.5991 3.6217 3.8470 3.8631 3.9701 4.0043 4.2658 4.2874 4.7399 4.7530 7.8217 7.8271 k = 0.4302 0.2484-0.0000 ( 6706 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5935 -44.5934 -43.3786 -43.3785 -43.2657 -43.2657 -19.6115 -19.6113 -19.4383 -19.4382 -19.4273 -19.4272 -8.7898 -8.7892 -7.3559 -7.3557 -0.4284 -0.4258 0.9787 0.9807 1.2964 1.3059 1.9014 1.9921 2.0789 2.1617 3.2453 3.2494 3.6116 3.6352 3.8404 3.8581 3.9465 3.9770 4.2466 4.2657 4.7287 4.7401 7.8230 7.8277 k = 0.4419 0.2551-0.0000 ( 6710 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5935 -44.5935 -43.3786 -43.3786 -43.2657 -43.2657 -19.6116 -19.6114 -19.4384 -19.4383 -19.4273 -19.4272 -8.7842 -8.7836 -7.3528 -7.3526 -0.4458 -0.4437 0.9801 0.9818 1.3182 1.3272 1.8937 1.9729 2.0718 2.1433 3.2437 3.2471 3.6259 3.6504 3.8322 3.8524 3.9250 3.9503 4.2312 4.2475 4.7192 4.7288 7.8239 7.8277 k = 0.4535 0.2618-0.0000 ( 6704 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5935 -44.5934 -43.3786 -43.3786 -43.2657 -43.2657 -19.6116 -19.6115 -19.4384 -19.4384 -19.4273 -19.4272 -8.7795 -8.7791 -7.3502 -7.3500 -0.4601 -0.4584 0.9813 0.9826 1.3370 1.3451 1.8889 1.9548 2.0676 2.1265 3.2425 3.2452 3.6419 3.6671 3.8212 3.8448 3.9073 3.9259 4.2194 4.2325 4.7115 4.7194 7.8245 7.8276 k = 0.4651 0.2685-0.0000 ( 6706 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5935 -44.5935 -43.3786 -43.3786 -43.2657 -43.2657 -19.6116 -19.6115 -19.4385 -19.4384 -19.4273 -19.4272 -8.7758 -8.7755 -7.3481 -7.3480 -0.4713 -0.4700 0.9821 0.9831 1.3525 1.3591 1.8872 1.9382 2.0663 2.1115 3.2415 3.2436 3.6593 3.6845 3.8073 3.8339 3.8946 3.9060 4.2109 4.2208 4.7057 4.7117 7.8249 7.8272 k = 0.4767 0.2752-0.0000 ( 6698 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5935 -44.5934 -43.3786 -43.3786 -43.2657 -43.2657 -19.6116 -19.6115 -19.4385 -19.4385 -19.4272 -19.4272 -8.7731 -8.7729 -7.3466 -7.3466 -0.4792 -0.4784 0.9828 0.9835 1.3642 1.3689 1.8886 1.9234 2.0676 2.0983 3.2410 3.2424 3.6776 3.7010 3.7926 3.8186 3.8868 3.8927 4.2055 4.2121 4.7019 4.7059 7.8253 7.8268 k = 0.4884 0.2820-0.0000 ( 6692 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5934 -44.5934 -43.3786 -43.3785 -43.2657 -43.2657 -19.6116 -19.6115 -19.4385 -19.4385 -19.4272 -19.4272 -8.7715 -8.7714 -7.3457 -7.3457 -0.4839 -0.4835 0.9833 0.9836 1.3719 1.3744 1.8931 1.9108 2.0716 2.0871 3.2408 3.2415 3.6953 3.7115 3.7830 3.8011 3.8830 3.8854 4.2030 4.2063 4.6999 4.7019 7.8256 7.8264 k = 0.5000 0.2887-0.0000 ( 6696 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5934 -44.5934 -43.3786 -43.3786 -43.2657 -43.2657 -19.6116 -19.6116 -19.4385 -19.4385 -19.4272 -19.4272 -8.7709 -8.7709 -7.3454 -7.3454 -0.4853 -0.4853 0.9835 0.9835 1.3754 1.3754 1.9006 1.9006 2.0781 2.0781 3.2409 3.2409 3.7090 3.7090 3.7864 3.7864 3.8824 3.8824 4.2032 4.2032 4.7000 4.7000 7.8260 7.8260 k = 0.5000 0.2887-0.0000 ( 6696 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5934 -44.5934 -43.3786 -43.3786 -43.2657 -43.2657 -19.6116 -19.6116 -19.4385 -19.4385 -19.4272 -19.4272 -8.7709 -8.7709 -7.3454 -7.3454 -0.4853 -0.4853 0.9835 0.9835 1.3754 1.3754 1.9006 1.9006 2.0781 2.0781 3.2409 3.2409 3.7090 3.7090 3.7864 3.7864 3.8824 3.8824 4.2032 4.2032 4.7000 4.7000 7.8260 7.8260 k = 0.4933 0.3002-0.0000 ( 6696 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5935 -44.5934 -43.3786 -43.3786 -43.2657 -43.2657 -19.6116 -19.6116 -19.4385 -19.4385 -19.4272 -19.4272 -8.7709 -8.7707 -7.3453 -7.3453 -0.4850 -0.4836 0.9809 0.9816 1.3755 1.3759 1.9007 1.9015 2.0780 2.0789 3.2384 3.2395 3.7052 3.7117 3.7710 3.8008 3.8644 3.8998 4.2004 4.2067 4.6960 4.7014 7.8315 7.8335 k = 0.4867 0.3118-0.0000 ( 6696 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5935 -44.5934 -43.3786 -43.3786 -43.2657 -43.2656 -19.6116 -19.6116 -19.4385 -19.4385 -19.4272 -19.4272 -8.7705 -8.7701 -7.3450 -7.3450 -0.4827 -0.4799 0.9736 0.9750 1.3763 1.3771 1.9017 1.9034 2.0786 2.0804 3.2320 3.2340 3.6990 3.7140 3.7565 3.8110 3.8486 3.9156 4.1982 4.2105 4.6895 4.7003 7.8501 7.8541 k = 0.4800 0.3233-0.0000 ( 6700 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5935 -44.5934 -43.3786 -43.3786 -43.2657 -43.2656 -19.6116 -19.6116 -19.4385 -19.4385 -19.4273 -19.4272 -8.7699 -8.7692 -7.3445 -7.3445 -0.4785 -0.4742 0.9620 0.9639 1.3778 1.3790 1.9036 1.9061 2.0799 2.0825 3.2215 3.2245 3.6887 3.7157 3.7452 3.8078 3.8449 3.9296 4.1966 4.2145 4.6808 4.6968 7.8814 7.8875 k = 0.4733 0.3349-0.0000 ( 6704 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5935 -44.5935 -43.3786 -43.3786 -43.2657 -43.2657 -19.6116 -19.6116 -19.4386 -19.4385 -19.4273 -19.4272 -8.7689 -8.7680 -7.3438 -7.3438 -0.4723 -0.4666 0.9459 0.9483 1.3802 1.3816 1.9064 1.9098 2.0819 2.0852 3.2071 3.2109 3.6736 3.7162 3.7382 3.7929 3.8528 3.9417 4.1955 4.2180 4.6699 4.6910 7.9249 7.9333 k = 0.4667 0.3464-0.0000 ( 6712 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5935 -44.5935 -43.3786 -43.3786 -43.2658 -43.2657 -19.6117 -19.6116 -19.4386 -19.4385 -19.4273 -19.4273 -8.7677 -8.7666 -7.3430 -7.3429 -0.4642 -0.4569 0.9256 0.9284 1.3833 1.3849 1.9099 1.9142 2.0848 2.0887 3.1888 3.1934 3.6549 3.7133 3.7351 3.7781 3.8631 3.9522 4.1945 4.2209 4.6572 4.6831 7.9802 7.9910 k = 0.4600 0.3580-0.0000 ( 6706 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5935 -44.5934 -43.3786 -43.3786 -43.2658 -43.2657 -19.6117 -19.6116 -19.4386 -19.4385 -19.4273 -19.4273 -8.7662 -8.7649 -7.3419 -7.3419 -0.4541 -0.4454 0.9013 0.9043 1.3873 1.3889 1.9139 1.9193 2.0885 2.0929 3.1665 3.1720 3.6345 3.7040 3.7355 3.7682 3.8737 3.9614 4.1933 4.2229 4.6430 4.6735 8.0465 8.0599 k = 0.4533 0.3695-0.0000 ( 6710 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5935 -44.5935 -43.3786 -43.3786 -43.2658 -43.2657 -19.6117 -19.6116 -19.4386 -19.4385 -19.4274 -19.4273 -8.7644 -8.7629 -7.3407 -7.3406 -0.4422 -0.4318 0.8731 0.8764 1.3921 1.3937 1.9185 1.9248 2.0932 2.0980 3.1404 3.1469 3.6135 3.6889 3.7379 3.7640 3.8840 3.9696 4.1918 4.2236 4.6275 4.6623 8.1230 8.1391 k = 0.4467 0.3811-0.0000 ( 6714 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5936 -44.5935 -43.3786 -43.3786 -43.2659 -43.2657 -19.6117 -19.6116 -19.4387 -19.4385 -19.4274 -19.4273 -8.7624 -8.7607 -7.3393 -7.3393 -0.4285 -0.4164 0.8412 0.8449 1.3977 1.3992 1.9232 1.9307 2.0990 2.1040 3.1106 3.1185 3.5927 3.6707 3.7414 3.7638 3.8943 3.9769 4.1898 4.2229 4.6109 4.6497 8.2086 8.2279 k = 0.4400 0.3926-0.0000 ( 6710 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5936 -44.5935 -43.3786 -43.3786 -43.2659 -43.2657 -19.6117 -19.6116 -19.4387 -19.4385 -19.4274 -19.4273 -8.7602 -8.7583 -7.3379 -7.3378 -0.4131 -0.3991 0.8060 0.8103 1.4041 1.4054 1.9281 1.9367 2.1059 2.1111 3.0776 3.0870 3.5726 3.6516 3.7454 3.7658 3.9046 3.9837 4.1874 4.2209 4.5937 4.6361 8.3024 8.3250 k = 0.4333 0.4041-0.0000 ( 6714 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5936 -44.5935 -43.3787 -43.3786 -43.2659 -43.2657 -19.6118 -19.6117 -19.4387 -19.4386 -19.4275 -19.4274 -8.7578 -8.7557 -7.3363 -7.3362 -0.3959 -0.3800 0.7677 0.7730 1.4112 1.4123 1.9328 1.9426 2.1140 2.1195 3.0416 3.0527 3.5533 3.6325 3.7498 3.7689 3.9151 3.9901 4.1845 4.2176 4.5757 4.6214 8.4031 8.4295 k = 0.4267 0.4157-0.0000 ( 6716 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5936 -44.5935 -43.3787 -43.3786 -43.2659 -43.2656 -19.6118 -19.6117 -19.4387 -19.4386 -19.4275 -19.4274 -8.7553 -8.7530 -7.3346 -7.3345 -0.3771 -0.3590 0.7268 0.7333 1.4188 1.4200 1.9372 1.9482 2.1235 2.1293 3.0031 3.0162 3.5350 3.6142 3.7543 3.7726 3.9261 3.9961 4.1816 4.2132 4.5573 4.6058 8.5092 8.5398 k = 0.4200 0.4272-0.0000 ( 6728 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5936 -44.5935 -43.3787 -43.3786 -43.2659 -43.2657 -19.6119 -19.6117 -19.4388 -19.4386 -19.4276 -19.4275 -8.7527 -8.7502 -7.3328 -7.3327 -0.3567 -0.3364 0.6835 0.6917 1.4269 1.4282 1.9411 1.9532 2.1343 2.1408 2.9626 2.9779 3.5178 3.5967 3.7589 3.7765 3.9375 4.0017 4.1789 4.2079 4.5383 4.5895 8.6189 8.6540 k = 0.4133 0.4388-0.0000 ( 6732 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5937 -44.5935 -43.3788 -43.3787 -43.2660 -43.2657 -19.6119 -19.6117 -19.4388 -19.4386 -19.4276 -19.4275 -8.7500 -8.7474 -7.3310 -7.3309 -0.3349 -0.3120 0.6383 0.6485 1.4355 1.4371 1.9444 1.9576 2.1466 2.1540 2.9207 2.9381 3.5017 3.5803 3.7636 3.7805 3.9494 4.0067 4.1768 4.2021 4.5189 4.5724 8.7295 8.7693 k = 0.4067 0.4503-0.0000 ( 6722 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5936 -44.5935 -43.3787 -43.3786 -43.2659 -43.2656 -19.6119 -19.6117 -19.4388 -19.4386 -19.4276 -19.4275 -8.7472 -8.7445 -7.3292 -7.3291 -0.3118 -0.2860 0.5916 0.6043 1.4443 1.4463 1.9470 1.9612 2.1603 2.1690 2.8777 2.8974 3.4867 3.5651 3.7681 3.7845 3.9618 4.0111 4.1761 4.1961 4.4990 4.5546 8.8357 8.8788 k = 0.4000 0.4619-0.0000 ( 6722 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5936 -44.5935 -43.3787 -43.3786 -43.2660 -43.2657 -19.6119 -19.6118 -19.4389 -19.4387 -19.4276 -19.4275 -8.7445 -8.7416 -7.3275 -7.3273 -0.2876 -0.2585 0.5439 0.5594 1.4533 1.4557 1.9489 1.9639 2.1755 2.1859 2.8341 2.8563 3.4728 3.5510 3.7726 3.7883 3.9745 4.0146 4.1769 4.1902 4.4787 4.5362 8.9222 8.9604 k = 0.3933 0.4734-0.0000 ( 6718 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5936 -44.5935 -43.3787 -43.3786 -43.2660 -43.2656 -19.6119 -19.6118 -19.4389 -19.4387 -19.4276 -19.4275 -8.7418 -8.7388 -7.3257 -7.3256 -0.2623 -0.2294 0.4954 0.5144 1.4625 1.4653 1.9502 1.9656 2.1919 2.2044 2.7903 2.8152 3.4601 3.5381 3.7769 3.7918 3.9871 4.0172 4.1797 4.1850 4.4579 4.5171 8.9573 8.9810 k = 0.3867 0.4850-0.0000 ( 6722 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5936 -44.5935 -43.3787 -43.3786 -43.2660 -43.2657 -19.6120 -19.6118 -19.4389 -19.4387 -19.4277 -19.4275 -8.7392 -8.7361 -7.3240 -7.3239 -0.2364 -0.1989 0.4466 0.4699 1.4716 1.4748 1.9508 1.9666 2.2096 2.2246 2.7466 2.7745 3.4486 3.5265 3.7810 3.7951 3.9992 4.0192 4.1806 4.1849 4.4367 4.4975 8.9506 8.9676 k = 0.3800 0.4965-0.0000 ( 6722 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5937 -44.5935 -43.3787 -43.3786 -43.2660 -43.2657 -19.6120 -19.6118 -19.4390 -19.4387 -19.4277 -19.4276 -8.7367 -8.7335 -7.3224 -7.3223 -0.2100 -0.1671 0.3979 0.4263 1.4805 1.4840 1.9510 1.9667 2.2282 2.2464 2.7035 2.7349 3.4383 3.5161 3.7848 3.7979 4.0086 4.0223 4.1779 4.1922 4.4152 4.4774 8.9314 8.9466 k = 0.3733 0.5081-0.0000 ( 6714 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5936 -44.5935 -43.3787 -43.3786 -43.2660 -43.2656 -19.6120 -19.6118 -19.4390 -19.4387 -19.4277 -19.4276 -8.7344 -8.7311 -7.3210 -7.3209 -0.1836 -0.1340 0.3495 0.3844 1.4890 1.4928 1.9508 1.9661 2.2475 2.2697 2.6612 2.6968 3.4293 3.5071 3.7885 3.8003 4.0123 4.0292 4.1773 4.2016 4.3936 4.4570 8.9102 8.9249 k = 0.3667 0.5196-0.0000 ( 6704 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5936 -44.5934 -43.3787 -43.3786 -43.2660 -43.2656 -19.6120 -19.6118 -19.4390 -19.4387 -19.4277 -19.4276 -8.7324 -8.7290 -7.3197 -7.3195 -0.1579 -0.0998 0.3019 0.3451 1.4969 1.5008 1.9504 1.9650 2.2669 2.2943 2.6202 2.6611 3.4216 3.4994 3.7918 3.8023 4.0122 4.0379 4.1793 4.2128 4.3720 4.4366 8.8902 8.9049 k = 0.3600 0.5312-0.0000 ( 6702 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5936 -44.5934 -43.3787 -43.3786 -43.2660 -43.2656 -19.6120 -19.6118 -19.4390 -19.4387 -19.4277 -19.4276 -8.7306 -8.7271 -7.3185 -7.3184 -0.1335 -0.0646 0.2553 0.3093 1.5041 1.5079 1.9499 1.9633 2.2857 2.3202 2.5806 2.6285 3.4153 3.4930 3.7948 3.8037 4.0110 4.0455 4.1842 4.2252 4.3509 4.4165 8.8728 8.8875 k = 0.3533 0.5427-0.0000 ( 6710 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5936 -44.5935 -43.3787 -43.3786 -43.2660 -43.2656 -19.6120 -19.6119 -19.4390 -19.4388 -19.4277 -19.4276 -8.7291 -8.7256 -7.3176 -7.3175 -0.1119 -0.0284 0.2101 0.2785 1.5101 1.5138 1.9497 1.9614 2.3031 2.3470 2.5428 2.6002 3.4103 3.4880 3.7974 3.8046 4.0096 4.0512 4.1918 4.2377 4.3311 4.3973 8.8586 8.8734 k = 0.3467 0.5543-0.0000 ( 6710 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5936 -44.5935 -43.3787 -43.3786 -43.2660 -43.2656 -19.6120 -19.6119 -19.4390 -19.4388 -19.4277 -19.4276 -8.7280 -8.7245 -7.3169 -7.3168 -0.0945 0.0086 0.1665 0.2544 1.5148 1.5183 1.9498 1.9593 2.3174 2.3744 2.5074 2.5779 3.4067 3.4845 3.7996 3.8049 4.0083 4.0550 4.2012 4.2490 4.3142 4.3802 8.8481 8.8630 k = 0.3400 0.5658-0.0000 ( 6710 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5936 -44.5935 -43.3787 -43.3786 -43.2660 -43.2656 -19.6120 -19.6119 -19.4390 -19.4388 -19.4277 -19.4276 -8.7273 -8.7238 -7.3165 -7.3164 -0.0831 0.0462 0.1249 0.2389 1.5179 1.5210 1.9502 1.9575 2.3270 2.4011 2.4759 2.5635 3.4045 3.4824 3.8013 3.8047 4.0075 4.0571 4.2101 4.2562 4.3029 4.3674 8.8417 8.8565 k = 0.3333 0.5774-0.0000 ( 6696 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5936 -44.5934 -43.3787 -43.3785 -43.2660 -43.2656 -19.6120 -19.6118 -19.4390 -19.4388 -19.4277 -19.4276 -8.7271 -8.7235 -7.3163 -7.3162 -0.0792 0.0795 0.0902 0.2337 1.5190 1.5220 1.9506 1.9565 2.3304 2.4172 2.4582 2.5585 3.4039 3.4817 3.8021 3.8045 4.0073 4.0577 4.2141 4.2581 4.2993 4.3624 8.8395 8.8544 k = 0.3333 0.5774-0.0000 ( 6696 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5936 -44.5934 -43.3787 -43.3785 -43.2660 -43.2656 -19.6120 -19.6118 -19.4390 -19.4388 -19.4277 -19.4276 -8.7271 -8.7235 -7.3163 -7.3162 -0.0792 0.0795 0.0902 0.2337 1.5190 1.5220 1.9506 1.9565 2.3304 2.4172 2.4582 2.5585 3.4039 3.4817 3.8021 3.8045 4.0073 4.0577 4.2141 4.2581 4.2993 4.3624 8.8395 8.8544 k = 0.3267 0.5658-0.0000 ( 6714 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5936 -44.5935 -43.3787 -43.3786 -43.2660 -43.2656 -19.6121 -19.6119 -19.4391 -19.4388 -19.4277 -19.4276 -8.7273 -8.7238 -7.3165 -7.3164 -0.0829 0.0471 0.1240 0.2387 1.5178 1.5210 1.9500 1.9577 2.3272 2.4018 2.4752 2.5632 3.4045 3.4823 3.8013 3.8047 4.0075 4.0571 4.2101 4.2562 4.3029 4.3675 8.8417 8.8566 k = 0.3200 0.5543-0.0000 ( 6714 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5936 -44.5935 -43.3787 -43.3786 -43.2660 -43.2656 -19.6120 -19.6119 -19.4390 -19.4388 -19.4277 -19.4276 -8.7281 -8.7246 -7.3170 -7.3169 -0.0927 0.0124 0.1629 0.2529 1.5140 1.5180 1.9487 1.9610 2.3189 2.3779 2.5044 2.5765 3.4066 3.4844 3.7997 3.8050 4.0083 4.0552 4.2012 4.2489 4.3147 4.3808 8.8485 8.8633 k = 0.3133 0.5427-0.0000 ( 6714 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5936 -44.5935 -43.3787 -43.3786 -43.2660 -43.2656 -19.6120 -19.6119 -19.4390 -19.4388 -19.4277 -19.4276 -8.7295 -8.7260 -7.3178 -7.3177 -0.1066 -0.0197 0.2020 0.2739 1.5076 1.5127 1.9474 1.9658 2.3073 2.3553 2.5360 2.5960 3.4101 3.4877 3.7976 3.8050 4.0095 4.0518 4.1918 4.2378 4.3328 4.3991 8.8599 8.8747 k = 0.3067 0.5312-0.0000 ( 6714 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5936 -44.5935 -43.3787 -43.3786 -43.2660 -43.2656 -19.6120 -19.6118 -19.4390 -19.4387 -19.4277 -19.4276 -8.7314 -8.7280 -7.3190 -7.3189 -0.1225 -0.0490 0.2412 0.2998 1.4986 1.5049 1.9464 1.9718 2.2942 2.3359 2.5687 2.6198 3.4148 3.4923 3.7954 3.8045 4.0108 4.0471 4.1845 4.2258 4.3545 4.4202 8.8759 8.8907 k = 0.3000 0.5196-0.0000 ( 6716 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5936 -44.5935 -43.3787 -43.3786 -43.2660 -43.2656 -19.6120 -19.6118 -19.4390 -19.4387 -19.4277 -19.4276 -8.7340 -8.7306 -7.3205 -7.3204 -0.1387 -0.0754 0.2803 0.3288 1.4870 1.4946 1.9458 1.9790 2.2807 2.3201 2.6021 2.6467 3.4208 3.4980 3.7932 3.8037 4.0119 4.0411 4.1803 4.2148 4.3783 4.4431 8.8966 8.9113 k = 0.2933 0.5081-0.0000 ( 6718 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5936 -44.5935 -43.3787 -43.3786 -43.2660 -43.2656 -19.6120 -19.6118 -19.4389 -19.4387 -19.4277 -19.4276 -8.7372 -8.7339 -7.3225 -7.3223 -0.1540 -0.0986 0.3191 0.3599 1.4730 1.4817 1.9458 1.9870 2.2677 2.3083 2.6359 2.6756 3.4278 3.5046 3.7911 3.8024 4.0128 4.0344 4.1795 4.2060 4.4035 4.4674 8.9220 8.9365 k = 0.2867 0.4965-0.0000 ( 6726 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5937 -44.5935 -43.3787 -43.3786 -43.2660 -43.2657 -19.6120 -19.6118 -19.4389 -19.4387 -19.4277 -19.4276 -8.7411 -8.7378 -7.3248 -7.3247 -0.1678 -0.1186 0.3574 0.3922 1.4566 1.4662 1.9464 1.9958 2.2561 2.3004 2.6700 2.7058 3.4358 3.5121 3.7893 3.8007 4.0131 4.0281 4.1819 4.2001 4.4298 4.4926 8.9520 8.9664 k = 0.2800 0.4850-0.0000 ( 6722 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5936 -44.5935 -43.3787 -43.3786 -43.2660 -43.2656 -19.6119 -19.6117 -19.4388 -19.4386 -19.4277 -19.4276 -8.7457 -8.7425 -7.3276 -7.3274 -0.1794 -0.1354 0.3950 0.4251 1.4379 1.4482 1.9477 2.0051 2.2465 2.2959 2.7043 2.7370 3.4446 3.5202 3.7878 3.7988 4.0130 4.0229 4.1869 4.1977 4.4570 4.5186 8.9865 9.0007 k = 0.2733 0.4734-0.0000 ( 6730 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5937 -44.5935 -43.3787 -43.3786 -43.2660 -43.2657 -19.6119 -19.6117 -19.4388 -19.4385 -19.4277 -19.4276 -8.7509 -8.7478 -7.3307 -7.3305 -0.1886 -0.1488 0.4319 0.4581 1.4171 1.4279 1.9498 2.0147 2.2394 2.2948 2.7387 2.7687 3.4540 3.5287 3.7864 3.7968 4.0130 4.0194 4.1942 4.1991 4.4848 4.5453 9.0254 9.0395 k = 0.2667 0.4619-0.0000 ( 6730 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5937 -44.5935 -43.3787 -43.3786 -43.2660 -43.2657 -19.6119 -19.6116 -19.4387 -19.4385 -19.4277 -19.4275 -8.7569 -8.7539 -7.3342 -7.3340 -0.1950 -0.1588 0.4678 0.4908 1.3944 1.4053 1.9528 2.0244 2.2354 2.2966 2.7730 2.8008 3.4639 3.5375 3.7846 3.7953 4.0143 4.0177 4.2021 4.2053 4.5133 4.5726 9.0687 9.0825 k = 0.2600 0.4503-0.0000 ( 6734 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5937 -44.5935 -43.3787 -43.3786 -43.2660 -43.2657 -19.6118 -19.6116 -19.4386 -19.4384 -19.4277 -19.4275 -8.7635 -8.7606 -7.3382 -7.3379 -0.1984 -0.1654 0.5027 0.5230 1.3698 1.3807 1.9567 2.0341 2.2345 2.3012 2.8070 2.8329 3.4740 3.5463 3.7821 3.7950 4.0172 4.0188 4.2105 4.2161 4.5422 4.6003 9.1159 9.1294 k = 0.2533 0.4388-0.0000 ( 6734 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5936 -44.5935 -43.3787 -43.3786 -43.2660 -43.2657 -19.6118 -19.6115 -19.4385 -19.4383 -19.4277 -19.4275 -8.7708 -8.7680 -7.3425 -7.3422 -0.1989 -0.1685 0.5362 0.5543 1.3437 1.3544 1.9616 2.0435 2.2371 2.3085 2.8408 2.8649 3.4842 3.5549 3.7788 3.7959 4.0197 4.0256 4.2214 4.2291 4.5715 4.6285 9.1608 9.1752 k = 0.2467 0.4272-0.0000 ( 6730 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5936 -44.5935 -43.3787 -43.3786 -43.2659 -43.2656 -19.6117 -19.6114 -19.4384 -19.4382 -19.4277 -19.4275 -8.7788 -8.7761 -7.3472 -7.3469 -0.1961 -0.1682 0.5683 0.5845 1.3161 1.3264 1.9675 2.0525 2.2433 2.3182 2.8740 2.8965 3.4943 3.5633 3.7752 3.7978 4.0244 4.0363 4.2348 4.2439 4.6011 4.6569 9.1129 9.1955 k = 0.2400 0.4157-0.0000 ( 6730 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5936 -44.5935 -43.3787 -43.3786 -43.2659 -43.2656 -19.6116 -19.6114 -19.4383 -19.4381 -19.4277 -19.4274 -8.7875 -8.7848 -7.3523 -7.3520 -0.1902 -0.1644 0.5987 0.6135 1.2872 1.2971 1.9744 2.0611 2.2530 2.3303 2.9067 2.9277 3.5041 3.5714 3.7717 3.8004 4.0320 4.0507 4.2507 4.2602 4.6310 4.6857 9.0451 9.1218 k = 0.2333 0.4041-0.0000 ( 6722 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5936 -44.5934 -43.3787 -43.3785 -43.2659 -43.2656 -19.6115 -19.6112 -19.4381 -19.4379 -19.4276 -19.4274 -8.7968 -8.7942 -7.3577 -7.3574 -0.1812 -0.1572 0.6274 0.6410 1.2574 1.2668 1.9821 2.0693 2.2663 2.3448 2.9387 2.9582 3.5136 3.5790 3.7690 3.8036 4.0427 4.0687 4.2689 4.2783 4.6610 4.7146 8.9734 9.0441 k = 0.2267 0.3926-0.0000 ( 6726 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5936 -44.5934 -43.3787 -43.3785 -43.2659 -43.2656 -19.6115 -19.6112 -19.4380 -19.4378 -19.4276 -19.4274 -8.8066 -8.8042 -7.3635 -7.3632 -0.1690 -0.1467 0.6541 0.6667 1.2268 1.2356 1.9906 2.0769 2.2831 2.3616 2.9698 2.9879 3.5226 3.5861 3.7672 3.8074 4.0566 4.0897 4.2891 4.2982 4.6912 4.7437 8.8982 8.9627 k = 0.2200 0.3811-0.0000 ( 6720 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5935 -44.5934 -43.3786 -43.3785 -43.2658 -43.2656 -19.6114 -19.6111 -19.4378 -19.4376 -19.4276 -19.4274 -8.8171 -8.8147 -7.3696 -7.3692 -0.1537 -0.1328 0.6787 0.6905 1.1957 1.2040 1.9998 2.0841 2.3034 2.3807 2.9999 3.0166 3.5313 3.5929 3.7669 3.8117 4.0736 4.1136 4.3115 4.3202 4.7214 4.7728 8.8195 8.8778 k = 0.2133 0.3695-0.0000 ( 6728 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5936 -44.5934 -43.3787 -43.3785 -43.2658 -43.2656 -19.6113 -19.6110 -19.4376 -19.4375 -19.4276 -19.4274 -8.8280 -8.8257 -7.3760 -7.3756 -0.1353 -0.1158 0.7008 0.7122 1.1646 1.1723 2.0094 2.0908 2.3269 2.4022 3.0289 3.0443 3.5395 3.5992 3.7682 3.8168 4.0934 4.1396 4.3358 4.3443 4.7516 4.8019 8.7376 8.7897 k = 0.2067 0.3580-0.0000 ( 6737 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5936 -44.5934 -43.3787 -43.3786 -43.2658 -43.2656 -19.6112 -19.6109 -19.4375 -19.4373 -19.4277 -19.4274 -8.8395 -8.8373 -7.3826 -7.3823 -0.1140 -0.0956 0.7203 0.7314 1.1338 1.1409 2.0192 2.0970 2.3536 2.4262 3.0568 3.0708 3.5474 3.6052 3.7715 3.8228 4.1157 4.1673 4.3621 4.3709 4.7817 4.8310 8.6523 8.6984 k = 0.2000 0.3464-0.0000 ( 6743 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5936 -44.5935 -43.3787 -43.3785 -43.2658 -43.2656 -19.6111 -19.6108 -19.4373 -19.4371 -19.4277 -19.4274 -8.8513 -8.8492 -7.3896 -7.3892 -0.0899 -0.0724 0.7366 0.7478 1.1039 1.1103 2.0291 2.1027 2.3834 2.4526 3.0834 3.0960 3.5550 3.6109 3.7768 3.8298 4.1400 4.1962 4.3907 4.4001 4.8117 4.8599 8.5640 8.6044 k = 0.1933 0.3349-0.0000 ( 6743 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5936 -44.5934 -43.3787 -43.3785 -43.2658 -43.2656 -19.6110 -19.6107 -19.4371 -19.4369 -19.4277 -19.4274 -8.8636 -8.8616 -7.3967 -7.3963 -0.0631 -0.0463 0.7494 0.7610 1.0756 1.0811 2.0387 2.1079 2.4162 2.4817 3.1086 3.1200 3.5625 3.6165 3.7843 3.8382 4.1659 4.2257 4.4216 4.4319 4.8414 4.8887 8.4729 8.5080 k = 0.1867 0.3233-0.0000 ( 6739 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5935 -44.5934 -43.3787 -43.3785 -43.2657 -43.2656 -19.6109 -19.6105 -19.4369 -19.4367 -19.4277 -19.4274 -8.8762 -8.8742 -7.4040 -7.4036 -0.0338 -0.0174 0.7579 0.7704 1.0496 1.0541 2.0481 2.1127 2.4518 2.5132 3.1324 3.1425 3.5701 3.6221 3.7939 3.8479 4.1930 4.2555 4.4549 4.4661 4.8709 4.9172 8.3793 8.4096 k = 0.1800 0.3118-0.0000 ( 6739 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5935 -44.5934 -43.3786 -43.3785 -43.2657 -43.2655 -19.6108 -19.6104 -19.4367 -19.4365 -19.4277 -19.4274 -8.8890 -8.8871 -7.4115 -7.4111 -0.0021 0.0141 0.7613 0.7752 1.0270 1.0303 2.0569 2.1168 2.4901 2.5473 3.1548 3.1637 3.5777 3.6278 3.8056 3.8589 4.2210 4.2850 4.4907 4.5026 4.9001 4.9454 8.2834 8.3095 k = 0.1733 0.3002-0.0000 ( 6751 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5936 -44.5934 -43.3787 -43.3785 -43.2657 -43.2656 -19.6107 -19.6103 -19.4365 -19.4363 -19.4277 -19.4274 -8.9021 -8.9003 -7.4192 -7.4187 0.0316 0.0481 0.7591 0.7748 1.0085 1.0106 2.0651 2.1205 2.5308 2.5838 3.1758 3.1836 3.5857 3.6337 3.8191 3.8713 4.2497 4.3143 4.5288 4.5412 4.9289 4.9732 8.1856 8.2080 k = 0.1667 0.2887-0.0000 ( 6749 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5935 -44.5934 -43.3787 -43.3785 -43.2657 -43.2656 -19.6106 -19.6102 -19.4363 -19.4361 -19.4277 -19.4274 -8.9153 -8.9136 -7.4269 -7.4264 0.0673 0.0843 0.7508 0.7687 0.9948 0.9956 2.0726 2.1236 2.5737 2.6225 3.1953 3.2022 3.5942 3.6403 3.8344 3.8850 4.2790 4.3434 4.5687 4.5816 4.9574 5.0007 8.0862 8.1054 k = 0.1600 0.2771-0.0000 ( 6753 PWs) bands (ev): -74.9684 -74.9684 -47.5619 -47.5619 -44.5935 -44.5934 -43.3787 -43.3785 -43.2657 -43.2655 -19.6105 -19.6101 -19.4361 -19.4359 -19.4277 -19.4274 -8.9286 -8.9269 -7.4347 -7.4342 0.1046 0.1226 0.7368 0.7572 0.9854 0.9858 2.0794 2.1263 2.6185 2.6632 3.2133 3.2195 3.6033 3.6475 3.8512 3.8999 4.3087 4.3723 4.6100 4.6236 4.9853 5.0277 7.9854 8.0021 k = 0.1533 0.2656-0.0000 ( 6745 PWs) bands (ev): -74.9684 -74.9684 -47.5619 -47.5619 -44.5935 -44.5934 -43.3786 -43.3785 -43.2656 -43.2655 -19.6103 -19.6099 -19.4358 -19.4357 -19.4277 -19.4274 -8.9420 -8.9403 -7.4425 -7.4420 0.1431 0.1628 0.7181 0.7412 0.9794 0.9806 2.0855 2.1284 2.6650 2.7057 3.2298 3.2357 3.6134 3.6557 3.8693 3.9158 4.3390 4.4013 4.6523 4.6667 5.0129 5.0543 7.8835 7.8982 k = 0.1467 0.2540-0.0000 ( 6733 PWs) bands (ev): -74.9684 -74.9684 -47.5619 -47.5619 -44.5934 -44.5933 -43.3786 -43.3784 -43.2655 -43.2654 -19.6102 -19.6098 -19.4355 -19.4354 -19.4277 -19.4273 -8.9553 -8.9537 -7.4503 -7.4498 0.1826 0.2045 0.6960 0.7221 0.9766 0.9783 2.0908 2.1301 2.7128 2.7496 3.2451 3.2508 3.6245 3.6651 3.8884 3.9327 4.3698 4.4305 4.6949 4.7105 5.0400 5.0805 7.7807 7.7940 k = 0.1400 0.2425-0.0000 ( 6741 PWs) bands (ev): -74.9684 -74.9684 -47.5619 -47.5619 -44.5934 -44.5933 -43.3786 -43.3784 -43.2655 -43.2655 -19.6101 -19.6097 -19.4353 -19.4352 -19.4277 -19.4273 -8.9686 -8.9670 -7.4581 -7.4576 0.2224 0.2474 0.6716 0.7014 0.9760 0.9779 2.0953 2.1313 2.7615 2.7944 3.2589 3.2648 3.6369 3.6757 3.9083 3.9501 4.4012 4.4602 4.7374 4.7545 5.0667 5.1061 7.6773 7.6895 k = 0.1333 0.2309-0.0000 ( 6741 PWs) bands (ev): -74.9684 -74.9684 -47.5619 -47.5619 -44.5934 -44.5933 -43.3786 -43.3784 -43.2655 -43.2654 -19.6100 -19.6096 -19.4351 -19.4350 -19.4277 -19.4274 -8.9816 -8.9801 -7.4657 -7.4653 0.2619 0.2913 0.6459 0.6805 0.9767 0.9786 2.0992 2.1321 2.8106 2.8398 3.2717 3.2778 3.6507 3.6879 3.9288 3.9681 4.4333 4.4906 4.7794 4.7982 5.0930 5.1313 7.5735 7.5850 k = 0.1267 0.2194-0.0000 ( 6735 PWs) bands (ev): -74.9684 -74.9684 -47.5619 -47.5619 -44.5934 -44.5933 -43.3785 -43.3784 -43.2655 -43.2654 -19.6098 -19.6094 -19.4349 -19.4348 -19.4277 -19.4273 -8.9945 -8.9931 -7.4733 -7.4729 0.3002 0.3357 0.6200 0.6609 0.9781 0.9800 2.1025 2.1325 2.8597 2.8852 3.2833 3.2898 3.6663 3.7018 3.9496 3.9863 4.4663 4.5218 4.8203 4.8413 5.1190 5.1562 7.4695 7.4806 k = 0.1200 0.2078-0.0000 ( 6733 PWs) bands (ev): -74.9684 -74.9684 -47.5619 -47.5619 -44.5934 -44.5933 -43.3785 -43.3784 -43.2654 -43.2654 -19.6097 -19.6093 -19.4346 -19.4345 -19.4277 -19.4274 -9.0071 -9.0057 -7.4807 -7.4803 0.3359 0.3799 0.5946 0.6443 0.9798 0.9817 2.1052 2.1327 2.9082 2.9302 3.2940 3.3009 3.6838 3.7177 3.9706 4.0047 4.5002 4.5542 4.8598 4.8832 5.1446 5.1805 7.3655 7.3763 k = 0.1133 0.1963-0.0000 ( 6735 PWs) bands (ev): -74.9684 -74.9684 -47.5619 -47.5619 -44.5934 -44.5933 -43.3785 -43.3784 -43.2654 -43.2653 -19.6096 -19.6092 -19.4344 -19.4343 -19.4277 -19.4274 -9.0194 -9.0180 -7.4880 -7.4876 0.3670 0.4227 0.5711 0.6327 0.9817 0.9835 2.1074 2.1325 2.9557 2.9740 3.3039 3.3110 3.7033 3.7357 3.9916 4.0231 4.5351 4.5877 4.8976 4.9236 5.1699 5.2045 7.2616 7.2723 k = 0.1067 0.1848-0.0000 ( 6741 PWs) bands (ev): -74.9684 -74.9684 -47.5619 -47.5619 -44.5934 -44.5933 -43.3785 -43.3784 -43.2653 -43.2653 -19.6095 -19.6091 -19.4342 -19.4341 -19.4277 -19.4274 -9.0312 -9.0299 -7.4950 -7.4946 0.3908 0.4603 0.5531 0.6287 0.9836 0.9853 2.1092 2.1320 3.0014 3.0163 3.3131 3.3203 3.7249 3.7559 4.0124 4.0412 4.5711 4.6227 4.9332 4.9621 5.1950 5.2281 7.1581 7.1687 k = 0.1000 0.1732-0.0000 ( 6741 PWs) bands (ev): -74.9684 -74.9684 -47.5619 -47.5619 -44.5934 -44.5933 -43.3785 -43.3784 -43.2653 -43.2653 -19.6094 -19.6090 -19.4340 -19.4339 -19.4277 -19.4274 -9.0427 -9.0414 -7.5018 -7.5014 0.4050 0.4795 0.5540 0.6347 0.9855 0.9871 2.1105 2.1313 3.0449 3.0565 3.3216 3.3288 3.7488 3.7784 4.0329 4.0591 4.6082 4.6591 4.9666 4.9987 5.2199 5.2513 7.0551 7.0657 k = 0.0933 0.1617-0.0000 ( 6733 PWs) bands (ev): -74.9684 -74.9684 -47.5619 -47.5619 -44.5933 -44.5932 -43.3785 -43.3784 -43.2653 -43.2653 -19.6092 -19.6089 -19.4338 -19.4337 -19.4277 -19.4274 -9.0536 -9.0525 -7.5083 -7.5079 0.4091 0.4718 0.5819 0.6508 0.9874 0.9889 2.1115 2.1305 3.0856 3.0941 3.3296 3.3366 3.7748 3.8032 4.0529 4.0766 4.6465 4.6971 4.9977 5.0331 5.2444 5.2740 6.9528 6.9634 k = 0.0867 0.1501-0.0000 ( 6733 PWs) bands (ev): -74.9684 -74.9684 -47.5619 -47.5619 -44.5933 -44.5932 -43.3785 -43.3784 -43.2653 -43.2652 -19.6091 -19.6088 -19.4336 -19.4335 -19.4277 -19.4274 -9.0640 -9.0629 -7.5145 -7.5141 0.4054 0.4540 0.6196 0.6747 0.9893 0.9909 2.1122 2.1294 3.1231 3.1287 3.3371 3.3438 3.8028 3.8299 4.0725 4.0936 4.6856 4.7366 5.0264 5.0654 5.2686 5.2961 6.8513 6.8619 k = 0.0800 0.1386-0.0000 ( 6729 PWs) bands (ev): -74.9684 -74.9684 -47.5619 -47.5619 -44.5933 -44.5932 -43.3784 -43.3784 -43.2652 -43.2652 -19.6090 -19.6087 -19.4334 -19.4333 -19.4277 -19.4274 -9.0738 -9.0728 -7.5203 -7.5200 0.3967 0.4346 0.6586 0.7030 0.9914 0.9931 2.1127 2.1283 3.1570 3.1601 3.3442 3.3504 3.8325 3.8583 4.0917 4.1103 4.7257 4.7774 5.0531 5.0958 5.2922 5.3175 6.7509 6.7614 k = 0.0733 0.1270-0.0000 ( 6729 PWs) bands (ev): -74.9684 -74.9684 -47.5619 -47.5619 -44.5933 -44.5932 -43.3784 -43.3784 -43.2652 -43.2652 -19.6089 -19.6086 -19.4332 -19.4332 -19.4277 -19.4274 -9.0830 -9.0821 -7.5258 -7.5255 0.3854 0.4155 0.6965 0.7330 0.9937 0.9955 2.1130 2.1270 3.1869 3.1882 3.3511 3.3566 3.8632 3.8877 4.1104 4.1266 4.7662 4.8192 5.0781 5.1247 5.3151 5.3379 6.6517 6.6622 k = 0.0667 0.1155-0.0000 ( 6721 PWs) bands (ev): -74.9684 -74.9684 -47.5619 -47.5619 -44.5932 -44.5932 -43.3784 -43.3783 -43.2652 -43.2651 -19.6088 -19.6085 -19.4330 -19.4330 -19.4276 -19.4274 -9.0916 -9.0907 -7.5309 -7.5306 0.3731 0.3973 0.7322 0.7628 0.9966 0.9985 2.1132 2.1258 3.2122 3.2137 3.3577 3.3625 3.8943 3.9174 4.1287 4.1426 4.8069 4.8614 5.1021 5.1528 5.3369 5.3573 6.5540 6.5645 k = 0.0600 0.1039-0.0000 ( 6735 PWs) bands (ev): -74.9684 -74.9684 -47.5619 -47.5619 -44.5933 -44.5932 -43.3784 -43.3783 -43.2652 -43.2652 -19.6088 -19.6085 -19.4329 -19.4329 -19.4277 -19.4274 -9.0994 -9.0986 -7.5356 -7.5353 0.3607 0.3805 0.7651 0.7910 1.0001 1.0020 2.1132 2.1244 3.2334 3.2361 3.3640 3.3680 3.9250 3.9463 4.1468 4.1583 4.8471 4.9032 5.1261 5.1807 5.3576 5.3753 6.4580 6.4685 k = 0.0533 0.0924-0.0000 ( 6735 PWs) bands (ev): -74.9684 -74.9684 -47.5619 -47.5619 -44.5932 -44.5932 -43.3784 -43.3783 -43.2652 -43.2652 -19.6087 -19.6085 -19.4328 -19.4328 -19.4276 -19.4274 -9.1065 -9.1057 -7.5398 -7.5396 0.3489 0.3651 0.7945 0.8165 1.0044 1.0063 2.1132 2.1231 3.2513 3.2548 3.3701 3.3733 3.9544 3.9737 4.1648 4.1740 4.8861 4.9430 5.1516 5.2094 5.3768 5.3918 6.3640 6.3746 k = 0.0467 0.0808-0.0000 ( 6723 PWs) bands (ev): -74.9685 -74.9684 -47.5619 -47.5619 -44.5932 -44.5931 -43.3783 -43.3783 -43.2651 -43.2651 -19.6086 -19.6084 -19.4326 -19.4326 -19.4276 -19.4274 -9.1128 -9.1121 -7.5436 -7.5434 0.3380 0.3513 0.8201 0.8386 1.0097 1.0114 2.1132 2.1218 3.2662 3.2702 3.3760 3.3783 3.9817 3.9986 4.1825 4.1895 4.9228 4.9789 5.1804 5.2398 5.3944 5.4067 6.2726 6.2833 k = 0.0400 0.0693-0.0000 ( 6727 PWs) bands (ev): -74.9685 -74.9685 -47.5619 -47.5619 -44.5932 -44.5931 -43.3783 -43.3783 -43.2651 -43.2651 -19.6085 -19.6084 -19.4326 -19.4326 -19.4276 -19.4274 -9.1183 -9.1178 -7.5469 -7.5467 0.3283 0.3391 0.8417 0.8569 1.0159 1.0173 2.1132 2.1205 3.2784 3.2825 3.3814 3.3830 4.0059 4.0203 4.1998 4.2047 4.9562 5.0091 5.2142 5.2729 5.4102 5.4199 6.1841 6.1950 k = 0.0333 0.0577-0.0000 ( 6723 PWs) bands (ev): -74.9685 -74.9685 -47.5619 -47.5619 -44.5932 -44.5931 -43.3783 -43.3783 -43.2651 -43.2651 -19.6084 -19.6083 -19.4325 -19.4325 -19.4275 -19.4274 -9.1230 -9.1225 -7.5497 -7.5496 0.3200 0.3286 0.8591 0.8713 1.0228 1.0237 2.1133 2.1194 3.2881 3.2920 3.3863 3.3873 4.0267 4.0385 4.2162 4.2193 4.9854 5.0323 5.2536 5.3090 5.4243 5.4313 6.0996 6.1106 k = 0.0267 0.0462-0.0000 ( 6735 PWs) bands (ev): -74.9685 -74.9685 -47.5620 -47.5620 -44.5932 -44.5932 -43.3783 -43.3783 -43.2652 -43.2652 -19.6084 -19.6083 -19.4324 -19.4324 -19.4276 -19.4274 -9.1269 -9.1265 -7.5521 -7.5520 0.3132 0.3198 0.8726 0.8820 1.0297 1.0302 2.1134 2.1182 3.2958 3.2992 3.3905 3.3910 4.0437 4.0528 4.2311 4.2328 5.0099 5.0486 5.2973 5.3474 5.4363 5.4415 6.0201 6.0311 k = 0.0200 0.0346-0.0000 ( 6727 PWs) bands (ev): -74.9685 -74.9685 -47.5620 -47.5620 -44.5932 -44.5931 -43.3783 -43.3783 -43.2651 -43.2651 -19.6084 -19.6083 -19.4324 -19.4324 -19.4275 -19.4274 -9.1299 -9.1296 -7.5539 -7.5538 0.3080 0.3128 0.8826 0.8894 1.0360 1.0363 2.1136 2.1172 3.3015 3.3043 3.3939 3.3942 4.0570 4.0635 4.2437 4.2444 5.0296 5.0589 5.3423 5.3855 5.4466 5.4517 5.9481 5.9587 k = 0.0133 0.0231-0.0000 ( 6719 PWs) bands (ev): -74.9685 -74.9685 -47.5620 -47.5620 -44.5931 -44.5931 -43.3783 -43.3783 -43.2651 -43.2651 -19.6083 -19.6083 -19.4323 -19.4323 -19.4275 -19.4274 -9.1320 -9.1319 -7.5552 -7.5551 0.3044 0.3076 0.8896 0.8940 1.0411 1.0411 2.1139 2.1163 3.3057 3.3076 3.3964 3.3965 4.0665 4.0707 4.2532 4.2535 5.0447 5.0641 5.3832 5.4160 5.4580 5.4629 5.8876 5.8967 k = 0.0067 0.0115-0.0000 ( 6711 PWs) bands (ev): -74.9685 -74.9685 -47.5619 -47.5619 -44.5931 -44.5931 -43.3782 -43.3782 -43.2651 -43.2651 -19.6083 -19.6082 -19.4323 -19.4323 -19.4274 -19.4274 -9.1333 -9.1332 -7.5560 -7.5560 0.3026 0.3041 0.8940 0.8962 1.0443 1.0443 2.1143 2.1155 3.3083 3.3093 3.3980 3.3980 4.0725 4.0746 4.2592 4.2592 5.0554 5.0651 5.4128 5.4292 5.4736 5.4749 5.8458 5.8515 k = 0.0000 0.0000 0.0000 ( 6707 PWs) bands (ev): -74.9685 -74.9685 -47.5619 -47.5619 -44.5931 -44.5931 -43.3782 -43.3782 -43.2651 -43.2651 -19.6082 -19.6082 -19.4322 -19.4322 -19.4274 -19.4274 -9.1337 -9.1337 -7.5562 -7.5562 0.3025 0.3025 0.8962 0.8962 1.0454 1.0454 2.1149 2.1149 3.3095 3.3095 3.3985 3.3985 4.0752 4.0752 4.2612 4.2612 5.0622 5.0622 5.4274 5.4274 5.4814 5.4814 5.8324 5.8324 k = 0.0000 0.0000 0.0000 ( 6707 PWs) bands (ev): -74.9685 -74.9685 -47.5619 -47.5619 -44.5931 -44.5931 -43.3782 -43.3782 -43.2651 -43.2651 -19.6082 -19.6082 -19.4322 -19.4322 -19.4274 -19.4274 -9.1337 -9.1337 -7.5562 -7.5562 0.3025 0.3025 0.8962 0.8962 1.0454 1.0454 2.1149 2.1149 3.3095 3.3095 3.3985 3.3985 4.0752 4.0752 4.2612 4.2612 5.0622 5.0622 5.4274 5.4274 5.4814 5.4814 5.8324 5.8324 k = 0.0000 0.0000 0.0133 ( 6713 PWs) bands (ev): -74.9685 -74.9685 -47.5619 -47.5619 -44.5931 -44.5931 -43.3783 -43.3783 -43.2651 -43.2651 -19.6083 -19.6083 -19.4322 -19.4322 -19.4275 -19.4275 -9.1336 -9.1336 -7.5564 -7.5564 0.3039 0.3039 0.8962 0.8962 1.0454 1.0454 2.1127 2.1127 3.3092 3.3092 3.3980 3.3984 4.0757 4.0757 4.2614 4.2622 5.0580 5.0580 5.4267 5.4267 5.4808 5.4813 5.8390 5.8390 k = 0.0000 0.0000 0.0265 ( 6743 PWs) bands (ev): -74.9685 -74.9685 -47.5620 -47.5620 -44.5932 -44.5932 -43.3784 -43.3784 -43.2651 -43.2651 -19.6083 -19.6083 -19.4323 -19.4323 -19.4275 -19.4275 -9.1333 -9.1333 -7.5570 -7.5570 0.3084 0.3084 0.8963 0.8963 1.0454 1.0454 2.1060 2.1060 3.3084 3.3084 3.3970 3.3979 4.0773 4.0773 4.2627 4.2644 5.0458 5.0458 5.4247 5.4247 5.4795 5.4806 5.8582 5.8582 k = 0.0000 0.0000 0.0398 ( 6749 PWs) bands (ev): -74.9685 -74.9685 -47.5620 -47.5620 -44.5932 -44.5932 -43.3784 -43.3784 -43.2652 -43.2652 -19.6083 -19.6083 -19.4323 -19.4323 -19.4276 -19.4276 -9.1328 -9.1328 -7.5579 -7.5579 0.3158 0.3158 0.8965 0.8965 1.0454 1.0454 2.0952 2.0952 3.3071 3.3071 3.3955 3.3968 4.0799 4.0799 4.2651 4.2677 5.0270 5.0270 5.4218 5.4218 5.4777 5.4792 5.8885 5.8885 k = 0.0000 0.0000 0.0530 ( 6749 PWs) bands (ev): -74.9685 -74.9685 -47.5620 -47.5620 -44.5932 -44.5932 -43.3784 -43.3784 -43.2652 -43.2652 -19.6083 -19.6083 -19.4323 -19.4323 -19.4276 -19.4276 -9.1321 -9.1321 -7.5592 -7.5592 0.3261 0.3261 0.8968 0.8968 1.0454 1.0454 2.0801 2.0801 3.3054 3.3054 3.3936 3.3953 4.0836 4.0836 4.2687 4.2720 5.0032 5.0032 5.4184 5.4184 5.4752 5.4772 5.9276 5.9276 k = 0.0000 0.0000 0.0663 ( 6754 PWs) bands (ev): -74.9685 -74.9685 -47.5620 -47.5620 -44.5932 -44.5932 -43.3784 -43.3784 -43.2652 -43.2652 -19.6083 -19.6083 -19.4323 -19.4323 -19.4276 -19.4276 -9.1313 -9.1313 -7.5608 -7.5608 0.3392 0.3392 0.8972 0.8972 1.0453 1.0454 2.0610 2.0610 3.3032 3.3032 3.3913 3.3934 4.0881 4.0881 4.2733 4.2773 4.9760 4.9760 5.4146 5.4146 5.4722 5.4747 5.9735 5.9735 k = 0.0000 0.0000 0.0795 ( 6748 PWs) bands (ev): -74.9685 -74.9685 -47.5620 -47.5620 -44.5932 -44.5932 -43.3784 -43.3784 -43.2652 -43.2652 -19.6083 -19.6083 -19.4323 -19.4323 -19.4275 -19.4275 -9.1303 -9.1303 -7.5627 -7.5627 0.3550 0.3550 0.8977 0.8977 1.0453 1.0454 2.0379 2.0379 3.3007 3.3007 3.3887 3.3911 4.0935 4.0935 4.2788 4.2835 4.9468 4.9468 5.4105 5.4105 5.4687 5.4716 6.0243 6.0243 k = 0.0000 0.0000 0.0928 ( 6736 PWs) bands (ev): -74.9685 -74.9685 -47.5620 -47.5620 -44.5932 -44.5932 -43.3783 -43.3783 -43.2651 -43.2651 -19.6083 -19.6083 -19.4323 -19.4323 -19.4275 -19.4275 -9.1292 -9.1292 -7.5648 -7.5648 0.3735 0.3735 0.8983 0.8983 1.0453 1.0455 2.0112 2.0112 3.2978 3.2978 3.3859 3.3885 4.0996 4.0996 4.2852 4.2905 4.9170 4.9170 5.4063 5.4063 5.4648 5.4680 6.0784 6.0784 k = 0.0000 0.0000 0.1060 ( 6748 PWs) bands (ev): -74.9685 -74.9685 -47.5620 -47.5620 -44.5932 -44.5932 -43.3784 -43.3784 -43.2652 -43.2652 -19.6083 -19.6083 -19.4323 -19.4323 -19.4276 -19.4276 -9.1279 -9.1279 -7.5672 -7.5672 0.3944 0.3944 0.8991 0.8991 1.0453 1.0455 1.9811 1.9811 3.2947 3.2947 3.3827 3.3855 4.1063 4.1063 4.2923 4.2980 4.8873 4.8873 5.4019 5.4019 5.4604 5.4639 6.1345 6.1345 k = 0.0000 0.0000 0.1193 ( 6754 PWs) bands (ev): -74.9685 -74.9685 -47.5620 -47.5620 -44.5932 -44.5932 -43.3784 -43.3784 -43.2652 -43.2652 -19.6084 -19.6084 -19.4323 -19.4323 -19.4276 -19.4276 -9.1265 -9.1265 -7.5697 -7.5697 0.4177 0.4177 0.9000 0.9000 1.0453 1.0454 1.9479 1.9479 3.2914 3.2914 3.3794 3.3824 4.1135 4.1135 4.3000 4.3061 4.8586 4.8586 5.3974 5.3974 5.4557 5.4594 6.1913 6.1913 k = 0.0000 0.0000 0.1326 ( 6760 PWs) bands (ev): -74.9685 -74.9685 -47.5620 -47.5620 -44.5933 -44.5933 -43.3784 -43.3784 -43.2652 -43.2652 -19.6084 -19.6084 -19.4323 -19.4323 -19.4276 -19.4276 -9.1251 -9.1251 -7.5724 -7.5724 0.4430 0.4430 0.9012 0.9012 1.0453 1.0455 1.9119 1.9119 3.2880 3.2880 3.3761 3.3791 4.1211 4.1211 4.3082 4.3145 4.8312 4.8312 5.3928 5.3928 5.4507 5.4547 6.2480 6.2480 k = 0.0000 0.0000 0.1458 ( 6772 PWs) bands (ev): -74.9685 -74.9685 -47.5620 -47.5620 -44.5933 -44.5933 -43.3785 -43.3785 -43.2652 -43.2652 -19.6084 -19.6084 -19.4323 -19.4323 -19.4276 -19.4276 -9.1236 -9.1236 -7.5752 -7.5752 0.4702 0.4702 0.9027 0.9027 1.0453 1.0454 1.8735 1.8735 3.2845 3.2845 3.3727 3.3757 4.1288 4.1288 4.3167 4.3231 4.8056 4.8056 5.3881 5.3881 5.4456 5.4497 6.3036 6.3036 k = 0.0000 0.0000 0.1591 ( 6784 PWs) bands (ev): -74.9685 -74.9685 -47.5620 -47.5620 -44.5934 -44.5934 -43.3786 -43.3786 -43.2652 -43.2652 -19.6084 -19.6084 -19.4324 -19.4324 -19.4277 -19.4277 -9.1221 -9.1221 -7.5780 -7.5780 0.4988 0.4988 0.9046 0.9046 1.0453 1.0454 1.8331 1.8331 3.2810 3.2810 3.3693 3.3723 4.1366 4.1366 4.3253 4.3318 4.7820 4.7820 5.3835 5.3835 5.4404 5.4445 6.3575 6.3575 k = 0.0000 0.0000 0.1723 ( 6778 PWs) bands (ev): -74.9685 -74.9685 -47.5620 -47.5620 -44.5934 -44.5934 -43.3786 -43.3786 -43.2652 -43.2652 -19.6084 -19.6084 -19.4323 -19.4323 -19.4277 -19.4277 -9.1207 -9.1207 -7.5807 -7.5807 0.5286 0.5286 0.9069 0.9069 1.0453 1.0455 1.7913 1.7913 3.2777 3.2777 3.3661 3.3690 4.1443 4.1443 4.3340 4.3403 4.7604 4.7604 5.3790 5.3790 5.4352 5.4393 6.4090 6.4090 k = 0.0000 0.0000 0.1856 ( 6778 PWs) bands (ev): -74.9685 -74.9685 -47.5620 -47.5620 -44.5934 -44.5934 -43.3786 -43.3786 -43.2652 -43.2652 -19.6084 -19.6084 -19.4323 -19.4323 -19.4277 -19.4277 -9.1192 -9.1192 -7.5834 -7.5834 0.5591 0.5591 0.9097 0.9097 1.0453 1.0454 1.7486 1.7486 3.2744 3.2744 3.3630 3.3657 4.1518 4.1518 4.3425 4.3486 4.7411 4.7411 5.3745 5.3745 5.4301 5.4341 6.4573 6.4573 k = 0.0000 0.0000 0.1988 ( 6772 PWs) bands (ev): -74.9685 -74.9685 -47.5620 -47.5620 -44.5933 -44.5933 -43.3785 -43.3785 -43.2652 -43.2652 -19.6084 -19.6084 -19.4323 -19.4323 -19.4277 -19.4277 -9.1178 -9.1178 -7.5860 -7.5860 0.5895 0.5895 0.9133 0.9133 1.0453 1.0454 1.7055 1.7055 3.2714 3.2714 3.3601 3.3627 4.1590 4.1590 4.3507 4.3564 4.7240 4.7240 5.3703 5.3703 5.4253 5.4291 6.5021 6.5021 k = 0.0000 0.0000 0.2121 ( 6766 PWs) bands (ev): -74.9685 -74.9685 -47.5620 -47.5620 -44.5933 -44.5933 -43.3785 -43.3785 -43.2652 -43.2652 -19.6084 -19.6084 -19.4323 -19.4323 -19.4277 -19.4277 -9.1165 -9.1165 -7.5884 -7.5884 0.6194 0.6194 0.9178 0.9178 1.0453 1.0454 1.6629 1.6629 3.2686 3.2686 3.3575 3.3599 4.1657 4.1657 4.3584 4.3637 4.7089 4.7089 5.3664 5.3664 5.4208 5.4243 6.5428 6.5428 k = 0.0000 0.0000 0.2253 ( 6754 PWs) bands (ev): -74.9685 -74.9685 -47.5620 -47.5620 -44.5933 -44.5933 -43.3785 -43.3785 -43.2651 -43.2651 -19.6084 -19.6084 -19.4323 -19.4323 -19.4276 -19.4276 -9.1154 -9.1154 -7.5905 -7.5905 0.6477 0.6477 0.9233 0.9233 1.0453 1.0454 1.6215 1.6215 3.2662 3.2662 3.3552 3.3573 4.1717 4.1717 4.3655 4.3703 4.6961 4.6961 5.3628 5.3628 5.4167 5.4199 6.5789 6.5789 k = 0.0000 0.0000 0.2386 ( 6766 PWs) bands (ev): -74.9685 -74.9685 -47.5620 -47.5620 -44.5933 -44.5933 -43.3785 -43.3785 -43.2651 -43.2651 -19.6084 -19.6084 -19.4323 -19.4323 -19.4277 -19.4277 -9.1143 -9.1143 -7.5925 -7.5925 0.6735 0.6735 0.9299 0.9299 1.0453 1.0454 1.5824 1.5824 3.2639 3.2639 3.3532 3.3550 4.1771 4.1771 4.3718 4.3759 4.6853 4.6853 5.3596 5.3596 5.4131 5.4159 6.6101 6.6101 k = 0.0000 0.0000 0.2519 ( 6766 PWs) bands (ev): -74.9685 -74.9685 -47.5620 -47.5620 -44.5933 -44.5933 -43.3785 -43.3785 -43.2651 -43.2651 -19.6084 -19.6084 -19.4323 -19.4323 -19.4277 -19.4277 -9.1134 -9.1134 -7.5941 -7.5941 0.6958 0.6958 0.9374 0.9374 1.0453 1.0454 1.5470 1.5470 3.2621 3.2621 3.3516 3.3530 4.1816 4.1816 4.3773 4.3807 4.6766 4.6766 5.3569 5.3569 5.4101 5.4124 6.6361 6.6361 k = 0.0000 0.0000 0.2651 ( 6754 PWs) bands (ev): -74.9685 -74.9685 -47.5620 -47.5620 -44.5933 -44.5933 -43.3785 -43.3785 -43.2651 -43.2651 -19.6084 -19.6084 -19.4323 -19.4323 -19.4277 -19.4277 -9.1127 -9.1127 -7.5954 -7.5954 0.7139 0.7139 0.9452 0.9452 1.0454 1.0454 1.5166 1.5166 3.2606 3.2606 3.3503 3.3514 4.1852 4.1852 4.3818 4.3844 4.6699 4.6699 5.3548 5.3548 5.4078 5.4096 6.6567 6.6567 k = 0.0000 0.0000 0.2784 ( 6754 PWs) bands (ev): -74.9685 -74.9685 -47.5620 -47.5620 -44.5933 -44.5933 -43.3785 -43.3785 -43.2651 -43.2651 -19.6084 -19.6084 -19.4323 -19.4323 -19.4276 -19.4276 -9.1122 -9.1122 -7.5963 -7.5963 0.7270 0.7270 0.9524 0.9524 1.0454 1.0454 1.4931 1.4931 3.2596 3.2596 3.3495 3.3502 4.1878 4.1878 4.3852 4.3869 4.6651 4.6651 5.3532 5.3532 5.4062 5.4074 6.6715 6.6715 k = 0.0000 0.0000 0.2916 ( 6754 PWs) bands (ev): -74.9685 -74.9685 -47.5620 -47.5620 -44.5933 -44.5933 -43.3785 -43.3785 -43.2651 -43.2651 -19.6084 -19.6084 -19.4323 -19.4323 -19.4276 -19.4276 -9.1119 -9.1119 -7.5969 -7.5969 0.7349 0.7349 0.9575 0.9575 1.0454 1.0454 1.4780 1.4780 3.2590 3.2590 3.3490 3.3494 4.1894 4.1894 4.3874 4.3883 4.6623 4.6623 5.3523 5.3523 5.4053 5.4059 6.6804 6.6804 k = 0.0000 0.0000 0.3049 ( 6766 PWs) bands (ev): -74.9685 -74.9685 -47.5620 -47.5620 -44.5933 -44.5933 -43.3785 -43.3785 -43.2652 -43.2652 -19.6084 -19.6084 -19.4323 -19.4323 -19.4277 -19.4277 -9.1118 -9.1118 -7.5971 -7.5971 0.7376 0.7376 0.9594 0.9594 1.0454 1.0454 1.4729 1.4729 3.2587 3.2587 3.3490 3.3490 4.1899 4.1899 4.3885 4.3885 4.6613 4.6613 5.3519 5.3519 5.4052 5.4052 6.6834 6.6834 k = 0.0000 0.0000 0.3049 ( 6766 PWs) bands (ev): -74.9685 -74.9685 -47.5620 -47.5620 -44.5933 -44.5933 -43.3785 -43.3785 -43.2652 -43.2652 -19.6084 -19.6084 -19.4323 -19.4323 -19.4277 -19.4277 -9.1118 -9.1118 -7.5971 -7.5971 0.7376 0.7376 0.9594 0.9594 1.0454 1.0454 1.4729 1.4729 3.2587 3.2587 3.3490 3.3490 4.1899 4.1899 4.3885 4.3885 4.6613 4.6613 5.3519 5.3519 5.4052 5.4052 6.6834 6.6834 k = 0.0116 0.0067 0.3049 ( 6756 PWs) bands (ev): -74.9685 -74.9685 -47.5620 -47.5620 -44.5933 -44.5933 -43.3785 -43.3785 -43.2651 -43.2651 -19.6084 -19.6083 -19.4323 -19.4323 -19.4277 -19.4276 -9.1114 -9.1113 -7.5968 -7.5967 0.7338 0.7408 0.9513 0.9649 1.0434 1.0437 1.4713 1.4788 3.2567 3.2597 3.3486 3.3486 4.1877 4.1891 4.3866 4.3866 4.6613 4.6622 5.3474 5.3501 5.4017 5.4019 6.6892 6.6924 k = 0.0233 0.0134 0.3049 ( 6758 PWs) bands (ev): -74.9685 -74.9685 -47.5620 -47.5620 -44.5933 -44.5933 -43.3785 -43.3785 -43.2651 -43.2651 -19.6084 -19.6084 -19.4323 -19.4323 -19.4277 -19.4276 -9.1102 -9.1100 -7.5958 -7.5958 0.7293 0.7435 0.9398 0.9685 1.0375 1.0397 1.4744 1.4888 3.2537 3.2596 3.3476 3.3476 4.1825 4.1853 4.3809 4.3810 4.6622 4.6641 5.3353 5.3417 5.3918 5.3933 6.7094 6.7156 k = 0.0349 0.0201 0.3049 ( 6762 PWs) bands (ev): -74.9685 -74.9685 -47.5620 -47.5620 -44.5933 -44.5933 -43.3785 -43.3785 -43.2652 -43.2652 -19.6085 -19.6084 -19.4324 -19.4324 -19.4277 -19.4276 -9.1082 -9.1078 -7.5942 -7.5942 0.7236 0.7455 0.9244 0.9701 1.0283 1.0348 1.4815 1.5021 3.2495 3.2584 3.3458 3.3458 4.1741 4.1785 4.3719 4.3722 4.6640 4.6666 5.3144 5.3253 5.3780 5.3820 6.7431 6.7520 k = 0.0465 0.0269 0.3049 ( 6754 PWs) bands (ev): -74.9685 -74.9685 -47.5620 -47.5620 -44.5933 -44.5933 -43.3785 -43.3785 -43.2651 -43.2651 -19.6085 -19.6084 -19.4324 -19.4324 -19.4277 -19.4276 -9.1053 -9.1048 -7.5920 -7.5920 0.7161 0.7464 0.9052 0.9694 1.0176 1.0303 1.4922 1.5178 3.2441 3.2561 3.3433 3.3434 4.1622 4.1685 4.3601 4.3608 4.6665 4.6698 5.2847 5.2996 5.3629 5.3695 6.7887 6.7997 k = 0.0581 0.0336 0.3049 ( 6758 PWs) bands (ev): -74.9685 -74.9685 -47.5620 -47.5620 -44.5933 -44.5933 -43.3785 -43.3785 -43.2651 -43.2651 -19.6085 -19.6084 -19.4325 -19.4325 -19.4277 -19.4276 -9.1015 -9.1010 -7.5892 -7.5891 0.7063 0.7450 0.8834 0.9647 1.0085 1.0269 1.5056 1.5352 3.2375 3.2525 3.3402 3.3404 4.1468 4.1553 4.3462 4.3474 4.6695 4.6734 5.2474 5.2655 5.3474 5.3560 6.8442 6.8571 k = 0.0698 0.0403 0.3049 ( 6758 PWs) bands (ev): -74.9685 -74.9685 -47.5620 -47.5620 -44.5933 -44.5933 -43.3785 -43.3785 -43.2651 -43.2651 -19.6086 -19.6084 -19.4326 -19.4326 -19.4277 -19.4276 -9.0970 -9.0964 -7.5857 -7.5857 0.6930 0.7392 0.8616 0.9555 1.0034 1.0246 1.5209 1.5538 3.2295 3.2476 3.3365 3.3369 4.1278 4.1388 4.3309 4.3329 4.6728 4.6772 5.2046 5.2250 5.3311 5.3412 6.9080 6.9223 k = 0.0814 0.0470 0.3049 ( 6768 PWs) bands (ev): -74.9685 -74.9684 -47.5620 -47.5620 -44.5934 -44.5933 -43.3786 -43.3785 -43.2652 -43.2652 -19.6087 -19.6085 -19.4327 -19.4327 -19.4278 -19.4276 -9.0917 -9.0910 -7.5817 -7.5816 0.6755 0.7257 0.8439 0.9437 1.0020 1.0234 1.5375 1.5730 3.2199 3.2411 3.3324 3.3329 4.1052 4.1190 4.3148 4.3179 4.6762 4.6810 5.1579 5.1799 5.3134 5.3248 6.9781 6.9937 k = 0.0930 0.0537 0.3049 ( 6764 PWs) bands (ev): -74.9684 -74.9684 -47.5620 -47.5620 -44.5934 -44.5933 -43.3786 -43.3785 -43.2652 -43.2652 -19.6088 -19.6085 -19.4328 -19.4328 -19.4278 -19.4276 -9.0856 -9.0848 -7.5771 -7.5770 0.6530 0.7020 0.8335 0.9322 1.0027 1.0232 1.5548 1.5924 3.2087 3.2330 3.3279 3.3286 4.0794 4.0962 4.2984 4.3026 4.6798 4.6848 5.1086 5.1319 5.2942 5.3068 7.0531 7.0695 k = 0.1047 0.0604 0.3049 ( 6776 PWs) bands (ev): -74.9684 -74.9684 -47.5620 -47.5620 -44.5934 -44.5934 -43.3786 -43.3785 -43.2653 -43.2653 -19.6089 -19.6086 -19.4330 -19.4329 -19.4278 -19.4276 -9.0788 -9.0779 -7.5719 -7.5719 0.6252 0.6691 0.8299 0.9227 1.0046 1.0237 1.5726 1.6118 3.1957 3.2229 3.3232 3.3239 4.0508 4.0707 4.2821 4.2875 4.6832 4.6884 5.0576 5.0819 5.2734 5.2872 7.1312 7.1483 k = 0.1163 0.0671 0.3049 ( 6782 PWs) bands (ev): -74.9684 -74.9684 -47.5620 -47.5620 -44.5934 -44.5934 -43.3786 -43.3786 -43.2653 -43.2653 -19.6090 -19.6087 -19.4331 -19.4331 -19.4278 -19.4276 -9.0713 -9.0703 -7.5663 -7.5662 0.5924 0.6295 0.8309 0.9159 1.0073 1.0249 1.5904 1.6310 3.1807 3.2108 3.3183 3.3190 4.0203 4.0431 4.2660 4.2725 4.6864 4.6916 5.0058 5.0309 5.2511 5.2661 7.2111 7.2287 k = 0.1279 0.0738 0.3049 ( 6780 PWs) bands (ev): -74.9684 -74.9684 -47.5620 -47.5620 -44.5934 -44.5934 -43.3787 -43.3786 -43.2653 -43.2653 -19.6090 -19.6088 -19.4333 -19.4333 -19.4278 -19.4276 -9.0631 -9.0620 -7.5601 -7.5600 0.5550 0.5855 0.8347 0.9119 1.0106 1.0267 1.6080 1.6498 3.1636 3.1963 3.3133 3.3139 3.9884 4.0142 4.2501 4.2578 4.6893 4.6945 4.9537 4.9794 5.2276 5.2435 7.2912 7.3091 k = 0.1395 0.0806 0.3049 ( 6776 PWs) bands (ev): -74.9684 -74.9684 -47.5620 -47.5620 -44.5935 -44.5934 -43.3787 -43.3786 -43.2653 -43.2653 -19.6091 -19.6088 -19.4334 -19.4334 -19.4278 -19.4276 -9.0543 -9.0531 -7.5534 -7.5534 0.5137 0.5385 0.8402 0.9101 1.0145 1.0290 1.6254 1.6681 3.1442 3.1794 3.3084 3.3088 3.9561 3.9847 4.2344 4.2431 4.6918 4.6966 4.9021 4.9279 5.2028 5.2198 7.3701 7.3883 k = 0.1512 0.0873 0.3049 ( 6784 PWs) bands (ev): -74.9684 -74.9684 -47.5619 -47.5619 -44.5935 -44.5934 -43.3787 -43.3786 -43.2654 -43.2654 -19.6093 -19.6089 -19.4337 -19.4336 -19.4279 -19.4276 -9.0448 -9.0436 -7.5464 -7.5463 0.4694 0.4893 0.8467 0.9103 1.0188 1.0317 1.6424 1.6860 3.1225 3.1599 3.3036 3.3036 3.9241 3.9552 4.2189 4.2286 4.6935 4.6975 4.8514 4.8770 5.1770 5.1950 7.4462 7.4645 k = 0.1628 0.0940 0.3049 ( 6778 PWs) bands (ev): -74.9684 -74.9684 -47.5619 -47.5619 -44.5935 -44.5934 -43.3787 -43.3786 -43.2654 -43.2654 -19.6094 -19.6090 -19.4338 -19.4338 -19.4278 -19.4275 -9.0349 -9.0336 -7.5389 -7.5388 0.4226 0.4386 0.8538 0.9118 1.0236 1.0350 1.6588 1.7032 3.0985 3.1379 3.2985 3.2989 3.8929 3.9265 4.2034 4.2140 4.6942 4.6962 4.8032 4.8273 5.1503 5.1693 7.5181 7.5363 k = 0.1744 0.1007 0.3049 ( 6770 PWs) bands (ev): -74.9684 -74.9684 -47.5619 -47.5619 -44.5935 -44.5934 -43.3787 -43.3786 -43.2654 -43.2654 -19.6094 -19.6091 -19.4340 -19.4340 -19.4278 -19.4275 -9.0244 -9.0230 -7.5310 -7.5309 0.3740 0.3868 0.8612 0.9142 1.0289 1.0386 1.6748 1.7199 3.0722 3.1132 3.2934 3.2944 3.8633 3.8990 4.1880 4.1995 4.6891 4.6926 4.7611 4.7801 5.1229 5.1428 7.5842 7.6022 k = 0.1860 0.1074 0.3049 ( 6766 PWs) bands (ev): -74.9684 -74.9684 -47.5619 -47.5619 -44.5935 -44.5934 -43.3787 -43.3786 -43.2654 -43.2654 -19.6096 -19.6092 -19.4342 -19.4342 -19.4278 -19.4275 -9.0134 -9.0120 -7.5228 -7.5227 0.3240 0.3342 0.8688 0.9174 1.0346 1.0427 1.6902 1.7359 3.0438 3.0861 3.2885 3.2900 3.8356 3.8732 4.1727 4.1850 4.6672 4.6842 4.7341 4.7400 5.0950 5.1158 7.6432 7.6607 k = 0.1977 0.1141 0.3049 ( 6766 PWs) bands (ev): -74.9684 -74.9684 -47.5619 -47.5619 -44.5935 -44.5934 -43.3787 -43.3785 -43.2654 -43.2654 -19.6097 -19.6093 -19.4345 -19.4344 -19.4278 -19.4275 -9.0021 -9.0007 -7.5143 -7.5142 0.2731 0.2812 0.8764 0.9209 1.0408 1.0471 1.7050 1.7513 3.0134 3.0568 3.2837 3.2857 3.8101 3.8493 4.1574 4.1704 4.6295 4.6580 4.7181 4.7234 5.0668 5.0884 7.6940 7.7108 k = 0.2093 0.1208 0.3049 ( 6764 PWs) bands (ev): -74.9684 -74.9684 -47.5619 -47.5619 -44.5935 -44.5934 -43.3787 -43.3785 -43.2654 -43.2654 -19.6098 -19.6094 -19.4347 -19.4346 -19.4278 -19.4275 -8.9904 -8.9889 -7.5056 -7.5055 0.2217 0.2281 0.8839 0.9246 1.0473 1.0518 1.7191 1.7660 2.9813 3.0255 3.2791 3.2816 3.7871 3.8276 4.1421 4.1559 4.5860 4.6178 4.7109 4.7189 5.0383 5.0607 7.7359 7.7516 k = 0.2209 0.1276 0.3049 ( 6764 PWs) bands (ev): -74.9684 -74.9684 -47.5619 -47.5619 -44.5935 -44.5934 -43.3787 -43.3785 -43.2655 -43.2655 -19.6099 -19.6095 -19.4349 -19.4348 -19.4278 -19.4274 -8.9784 -8.9769 -7.4966 -7.4965 0.1700 0.1750 0.8911 0.9284 1.0541 1.0569 1.7327 1.7800 2.9480 2.9927 3.2747 3.2777 3.7665 3.8082 4.1269 4.1413 4.5415 4.5744 4.7074 4.7161 5.0098 5.0328 7.7685 7.7830 k = 0.2326 0.1343 0.3049 ( 6758 PWs) bands (ev): -74.9684 -74.9684 -47.5619 -47.5619 -44.5935 -44.5934 -43.3787 -43.3785 -43.2655 -43.2655 -19.6100 -19.6096 -19.4351 -19.4350 -19.4277 -19.4274 -8.9662 -8.9646 -7.4875 -7.4874 0.1185 0.1223 0.8981 0.9321 1.0611 1.0622 1.7455 1.7934 2.9138 2.9589 3.2705 3.2739 3.7484 3.7910 4.1118 4.1269 4.4975 4.5310 4.7045 4.7134 4.9814 5.0050 7.7923 7.8053 k = 0.2442 0.1410 0.3049 ( 6750 PWs) bands (ev): -74.9684 -74.9684 -47.5619 -47.5619 -44.5935 -44.5934 -43.3786 -43.3785 -43.2655 -43.2655 -19.6101 -19.6097 -19.4354 -19.4353 -19.4277 -19.4274 -8.9538 -8.9522 -7.4783 -7.4782 0.0673 0.0702 0.9046 0.9356 1.0676 1.0682 1.7578 1.8060 2.8792 2.9244 3.2666 3.2703 3.7328 3.7760 4.0969 4.1125 4.4544 4.4884 4.7015 4.7104 4.9532 4.9774 7.8078 7.8192 k = 0.2558 0.1477 0.3049 ( 6754 PWs) bands (ev): -74.9684 -74.9684 -47.5619 -47.5619 -44.5935 -44.5934 -43.3787 -43.3785 -43.2655 -43.2655 -19.6103 -19.6099 -19.4356 -19.4355 -19.4277 -19.4274 -8.9413 -8.9397 -7.4690 -7.4689 0.0166 0.0188 0.9106 0.9389 1.0731 1.0752 1.7694 1.8179 2.8445 2.8897 3.2628 3.2669 3.7193 3.7632 4.0821 4.0983 4.4126 4.4470 4.6981 4.7069 4.9253 4.9500 7.8162 7.8259 k = 0.2674 0.1544 0.3049 ( 6754 PWs) bands (ev): -74.9684 -74.9684 -47.5619 -47.5619 -44.5935 -44.5934 -43.3787 -43.3785 -43.2656 -43.2656 -19.6104 -19.6100 -19.4359 -19.4357 -19.4277 -19.4274 -8.9287 -8.9272 -7.4597 -7.4596 -0.0331 -0.0316 0.9163 0.9419 1.0786 1.0821 1.7804 1.8290 2.8103 2.8553 3.2594 3.2637 3.7080 3.7524 4.0675 4.0843 4.3721 4.4069 4.6941 4.7027 4.8980 4.9231 7.8186 7.8266 k = 0.2791 0.1611 0.3049 ( 6750 PWs) bands (ev): -74.9684 -74.9684 -47.5619 -47.5619 -44.5935 -44.5934 -43.3787 -43.3785 -43.2656 -43.2656 -19.6105 -19.6101 -19.4361 -19.4360 -19.4276 -19.4273 -8.9162 -8.9147 -7.4505 -7.4503 -0.0819 -0.0809 0.9214 0.9447 1.0840 1.0887 1.7907 1.8393 2.7768 2.8215 3.2562 3.2607 3.6987 3.7435 4.0532 4.0705 4.3330 4.3683 4.6894 4.6980 4.8712 4.8966 7.8165 7.8228 k = 0.2907 0.1678 0.3049 ( 6742 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5935 -44.5934 -43.3786 -43.3785 -43.2656 -43.2656 -19.6106 -19.6102 -19.4363 -19.4362 -19.4276 -19.4273 -8.9038 -8.9023 -7.4413 -7.4411 -0.1294 -0.1288 0.9261 0.9473 1.0892 1.0949 1.8004 1.8489 2.7446 2.7888 3.2532 3.2580 3.6913 3.7364 4.0393 4.0570 4.2955 4.3311 4.6842 4.6925 4.8452 4.8708 7.8110 7.8157 k = 0.3023 0.1745 0.3049 ( 6728 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5935 -44.5934 -43.3786 -43.3785 -43.2656 -43.2656 -19.6107 -19.6103 -19.4365 -19.4364 -19.4275 -19.4273 -8.8916 -8.8901 -7.4322 -7.4321 -0.1754 -0.1752 0.9303 0.9495 1.0940 1.1006 1.8095 1.8576 2.7139 2.7575 3.2506 3.2554 3.6856 3.7310 4.0256 4.0439 4.2595 4.2954 4.6784 4.6865 4.8201 4.8457 7.8033 7.8065 k = 0.3140 0.1813 0.3049 ( 6724 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5935 -44.5934 -43.3786 -43.3785 -43.2656 -43.2656 -19.6108 -19.6104 -19.4367 -19.4366 -19.4275 -19.4273 -8.8795 -8.8781 -7.4234 -7.4232 -0.2199 -0.2198 0.9341 0.9516 1.0985 1.1056 1.8180 1.8654 2.6850 2.7278 3.2482 3.2530 3.6816 3.7272 4.0124 4.0311 4.2250 4.2611 4.6721 4.6798 4.7959 4.8215 7.7943 7.7961 k = 0.3256 0.1880 0.3049 ( 6726 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5935 -44.5934 -43.3786 -43.3785 -43.2656 -43.2656 -19.6109 -19.6105 -19.4369 -19.4368 -19.4275 -19.4273 -8.8678 -8.8664 -7.4147 -7.4146 -0.2627 -0.2624 0.9375 0.9533 1.1025 1.1100 1.8259 1.8724 2.6582 2.6999 3.2461 3.2509 3.6790 3.7249 3.9995 4.0187 4.1920 4.2282 4.6653 4.6726 4.7727 4.7982 7.7847 7.7854 k = 0.3372 0.1947 0.3049 ( 6714 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5935 -44.5934 -43.3786 -43.3785 -43.2656 -43.2656 -19.6109 -19.6106 -19.4371 -19.4369 -19.4275 -19.4272 -8.8565 -8.8551 -7.4064 -7.4063 -0.3035 -0.3031 0.9405 0.9549 1.1060 1.1137 1.8332 1.8786 2.6336 2.6741 3.2443 3.2489 3.6780 3.7240 3.9871 4.0068 4.1607 4.1968 4.6581 4.6650 4.7506 4.7759 7.7749 7.7753 k = 0.3488 0.2014 0.3049 ( 6728 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5935 -44.5934 -43.3786 -43.3785 -43.2657 -43.2657 -19.6111 -19.6108 -19.4373 -19.4372 -19.4275 -19.4273 -8.8455 -8.8442 -7.3984 -7.3982 -0.3422 -0.3416 0.9431 0.9562 1.1090 1.1166 1.8401 1.8839 2.6112 2.6503 3.2427 3.2472 3.6783 3.7246 3.9749 3.9953 4.1309 4.1668 4.6507 4.6569 4.7298 4.7546 7.7652 7.7666 k = 0.3605 0.2081 0.3049 ( 6738 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5935 -44.5935 -43.3787 -43.3786 -43.2657 -43.2657 -19.6112 -19.6109 -19.4375 -19.4374 -19.4275 -19.4273 -8.8351 -8.8339 -7.3907 -7.3906 -0.3786 -0.3779 0.9454 0.9573 1.1114 1.1188 1.8464 1.8884 2.5913 2.6286 3.2413 3.2456 3.6800 3.7264 3.9631 3.9843 4.1028 4.1381 4.6431 4.6487 4.7103 4.7346 7.7566 7.7588 k = 0.3721 0.2148 0.3049 ( 6746 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5936 -44.5935 -43.3787 -43.3786 -43.2658 -43.2658 -19.6113 -19.6110 -19.4377 -19.4376 -19.4275 -19.4273 -8.8253 -8.8241 -7.3835 -7.3834 -0.4125 -0.4118 0.9474 0.9581 1.1132 1.1204 1.8523 1.8920 2.5737 2.6090 3.2402 3.2443 3.6830 3.7297 3.9516 3.9737 4.0764 4.1108 4.6354 4.6403 4.6922 4.7158 7.7494 7.7522 k = 0.3837 0.2215 0.3049 ( 6738 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5936 -44.5935 -43.3787 -43.3786 -43.2657 -43.2657 -19.6114 -19.6111 -19.4378 -19.4377 -19.4274 -19.4273 -8.8160 -8.8149 -7.3768 -7.3767 -0.4439 -0.4432 0.9492 0.9588 1.1146 1.1213 1.8578 1.8950 2.5585 2.5915 3.2393 3.2431 3.6874 3.7342 3.9401 3.9637 4.0519 4.0849 4.6277 4.6319 4.6756 4.6984 7.7438 7.7470 k = 0.3953 0.2283 0.3049 ( 6726 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5935 -44.5935 -43.3786 -43.3786 -43.2657 -43.2657 -19.6114 -19.6112 -19.4380 -19.4379 -19.4274 -19.4272 -8.8075 -8.8065 -7.3705 -7.3705 -0.4727 -0.4720 0.9507 0.9593 1.1155 1.1217 1.8628 1.8972 2.5455 2.5760 3.2386 3.2420 3.6931 3.7401 3.9286 3.9540 4.0295 4.0604 4.6202 4.6236 4.6607 4.6824 7.7396 7.7433 k = 0.4070 0.2350 0.3049 ( 6730 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5935 -44.5935 -43.3786 -43.3786 -43.2658 -43.2658 -19.6115 -19.6113 -19.4381 -19.4380 -19.4274 -19.4272 -8.7997 -8.7988 -7.3649 -7.3648 -0.4987 -0.4980 0.9520 0.9597 1.1160 1.1216 1.8675 1.8987 2.5347 2.5624 3.2380 3.2412 3.6999 3.7471 3.9167 3.9445 4.0093 4.0374 4.6129 4.6156 4.6476 4.6678 7.7371 7.7409 k = 0.4186 0.2417 0.3049 ( 6726 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5935 -44.5935 -43.3787 -43.3786 -43.2657 -43.2657 -19.6115 -19.6113 -19.4382 -19.4381 -19.4274 -19.4272 -8.7927 -8.7918 -7.3597 -7.3597 -0.5219 -0.5212 0.9532 0.9598 1.1162 1.1211 1.8718 1.8996 2.5258 2.5506 3.2376 3.2404 3.7080 3.7554 3.9041 3.9352 3.9919 4.0161 4.6059 4.6080 4.6362 4.6548 7.7359 7.7397 k = 0.4302 0.2484 0.3049 ( 6730 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5936 -44.5935 -43.3787 -43.3786 -43.2658 -43.2658 -19.6116 -19.6114 -19.4383 -19.4382 -19.4274 -19.4273 -8.7865 -8.7858 -7.3553 -7.3552 -0.5421 -0.5415 0.9541 0.9599 1.1162 1.1205 1.8758 1.9000 2.5188 2.5404 3.2373 3.2398 3.7173 3.7648 3.8906 3.9254 3.9772 3.9970 4.5994 4.6009 4.6267 4.6433 7.7359 7.7397 k = 0.4419 0.2551 0.3049 ( 6742 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5936 -44.5936 -43.3787 -43.3787 -43.2658 -43.2658 -19.6116 -19.6115 -19.4384 -19.4384 -19.4274 -19.4273 -8.7811 -8.7805 -7.3514 -7.3513 -0.5593 -0.5588 0.9550 0.9598 1.1161 1.1196 1.8795 1.8999 2.5135 2.5317 3.2372 3.2392 3.7277 3.7752 3.8761 3.9149 3.9656 3.9805 4.5934 4.5946 4.6190 4.6333 7.7369 7.7403 k = 0.4535 0.2618 0.3049 ( 6730 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5936 -44.5935 -43.3787 -43.3786 -43.2658 -43.2658 -19.6116 -19.6115 -19.4385 -19.4384 -19.4273 -19.4273 -8.7767 -8.7762 -7.3482 -7.3482 -0.5735 -0.5731 0.9558 0.9596 1.1160 1.1188 1.8829 1.8994 2.5097 2.5244 3.2371 3.2387 3.7393 3.7866 3.8610 3.9031 3.9567 3.9671 4.5883 4.5892 4.6132 4.6249 7.7385 7.7415 k = 0.4651 0.2685 0.3049 ( 6732 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5936 -44.5935 -43.3787 -43.3787 -43.2658 -43.2658 -19.6116 -19.6116 -19.4385 -19.4385 -19.4273 -19.4273 -8.7732 -8.7729 -7.3457 -7.3457 -0.5845 -0.5842 0.9565 0.9594 1.1158 1.1179 1.8860 1.8984 2.5073 2.5184 3.2371 3.2384 3.7517 3.7985 3.8459 3.8898 3.9503 3.9571 4.5840 4.5847 4.6092 4.6180 7.7403 7.7428 k = 0.4767 0.2752 0.3049 ( 6746 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5936 -44.5936 -43.3787 -43.3787 -43.2659 -43.2659 -19.6117 -19.6116 -19.4386 -19.4386 -19.4273 -19.4273 -8.7707 -8.7705 -7.3439 -7.3439 -0.5925 -0.5922 0.9571 0.9590 1.1158 1.1172 1.8888 1.8971 2.5062 2.5137 3.2372 3.2380 3.7650 3.8086 3.8332 3.8755 3.9462 3.9502 4.5809 4.5814 4.6068 4.6127 7.7421 7.7438 k = 0.4884 0.2820 0.3049 ( 6742 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5936 -44.5936 -43.3787 -43.3787 -43.2658 -43.2658 -19.6117 -19.6117 -19.4386 -19.4386 -19.4273 -19.4273 -8.7692 -8.7691 -7.3428 -7.3428 -0.5972 -0.5971 0.9576 0.9586 1.1159 1.1166 1.8913 1.8955 2.5064 2.5101 3.2373 3.2377 3.7790 3.8063 3.8339 3.8607 3.9441 3.9460 4.5791 4.5793 4.6059 4.6089 7.7435 7.7444 k = 0.5000 0.2887 0.3049 ( 6748 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5936 -44.5936 -43.3787 -43.3787 -43.2658 -43.2658 -19.6117 -19.6117 -19.4386 -19.4386 -19.4273 -19.4273 -8.7686 -8.7686 -7.3425 -7.3425 -0.5987 -0.5987 0.9581 0.9581 1.1161 1.1161 1.8935 1.8935 2.5077 2.5077 3.2375 3.2375 3.7933 3.7933 3.8462 3.8462 3.9440 3.9440 4.5785 4.5785 4.6066 4.6066 7.7443 7.7443 k = 0.5000 0.2887 0.3049 ( 6748 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5936 -44.5936 -43.3787 -43.3787 -43.2658 -43.2658 -19.6117 -19.6117 -19.4386 -19.4386 -19.4273 -19.4273 -8.7686 -8.7686 -7.3425 -7.3425 -0.5987 -0.5987 0.9581 0.9581 1.1161 1.1161 1.8935 1.8935 2.5077 2.5077 3.2375 3.2375 3.7933 3.7933 3.8462 3.8462 3.9440 3.9440 4.5785 4.5785 4.6066 4.6066 7.7443 7.7443 k = 0.4933 0.3002 0.3049 ( 6740 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5936 -44.5936 -43.3787 -43.3787 -43.2658 -43.2658 -19.6117 -19.6117 -19.4386 -19.4386 -19.4273 -19.4273 -8.7686 -8.7684 -7.3424 -7.3423 -0.5988 -0.5967 0.9502 0.9622 1.1089 1.1229 1.8935 1.8947 2.5026 2.5121 3.2318 3.2417 3.7809 3.8007 3.8387 3.8541 3.9312 3.9591 4.5678 4.5870 4.5977 4.6146 7.7505 7.7517 k = 0.4867 0.3118 0.3049 ( 6736 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5936 -44.5936 -43.3787 -43.3787 -43.2658 -43.2658 -19.6117 -19.6116 -19.4386 -19.4386 -19.4273 -19.4273 -8.7683 -8.7678 -7.3420 -7.3420 -0.5968 -0.5927 0.9387 0.9618 1.1020 1.1289 1.8946 1.8970 2.4968 2.5159 3.2246 3.2442 3.7638 3.8030 3.8326 3.8597 3.9237 3.9747 4.5555 4.5836 4.5972 4.6208 7.7701 7.7725 k = 0.4800 0.3233 0.3049 ( 6732 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5936 -44.5935 -43.3787 -43.3786 -43.2659 -43.2658 -19.6117 -19.6116 -19.4386 -19.4386 -19.4273 -19.4273 -8.7676 -8.7669 -7.3415 -7.3414 -0.5929 -0.5867 0.9238 0.9560 1.0963 1.1341 1.8968 1.9004 2.4904 2.5190 3.2159 3.2452 3.7431 3.7989 3.8286 3.8614 3.9242 3.9899 4.5419 4.5711 4.6027 4.6252 7.8028 7.8064 k = 0.4733 0.3349 0.3049 ( 6726 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5936 -44.5935 -43.3787 -43.3786 -43.2658 -43.2657 -19.6117 -19.6116 -19.4386 -19.4386 -19.4273 -19.4273 -8.7667 -8.7658 -7.3407 -7.3407 -0.5871 -0.5787 0.9053 0.9441 1.0929 1.1387 1.9000 1.9047 2.4833 2.5213 3.2056 3.2445 3.7201 3.7870 3.8275 3.8612 3.9311 4.0043 4.5272 4.5569 4.6071 4.6280 7.8482 7.8529 k = 0.4667 0.3464 0.3049 ( 6726 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5936 -44.5935 -43.3787 -43.3786 -43.2659 -43.2657 -19.6117 -19.6116 -19.4386 -19.4386 -19.4273 -19.4273 -8.7655 -8.7644 -7.3398 -7.3397 -0.5793 -0.5687 0.8832 0.9260 1.0922 1.1431 1.9040 1.9098 2.4757 2.5229 3.1939 3.2421 3.6954 3.7687 3.8284 3.8616 3.9411 4.0178 4.5116 4.5415 4.6098 4.6291 7.9055 7.9113 k = 0.4600 0.3580 0.3049 ( 6726 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5936 -44.5935 -43.3787 -43.3786 -43.2659 -43.2657 -19.6117 -19.6116 -19.4387 -19.4386 -19.4274 -19.4273 -8.7640 -8.7627 -7.3386 -7.3385 -0.5698 -0.5568 0.8573 0.9021 1.0940 1.1474 1.9089 1.9155 2.4674 2.5237 3.1808 3.2380 3.6699 3.7467 3.8302 3.8634 3.9521 4.0304 4.4953 4.5253 4.6109 4.6287 7.9737 7.9806 k = 0.4533 0.3695 0.3049 ( 6718 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5936 -44.5935 -43.3786 -43.3786 -43.2659 -43.2657 -19.6117 -19.6116 -19.4387 -19.4386 -19.4274 -19.4273 -8.7623 -8.7608 -7.3373 -7.3372 -0.5584 -0.5429 0.8277 0.8732 1.0979 1.1521 1.9144 1.9218 2.4584 2.5236 3.1662 3.2322 3.6440 3.7227 3.8326 3.8665 3.9634 4.0422 4.4787 4.5089 4.6104 4.6269 8.0517 8.0597 k = 0.4467 0.3811 0.3049 ( 6720 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5936 -44.5935 -43.3786 -43.3786 -43.2659 -43.2657 -19.6117 -19.6116 -19.4387 -19.4386 -19.4274 -19.4273 -8.7604 -8.7587 -7.3358 -7.3357 -0.5452 -0.5272 0.7945 0.8402 1.1034 1.1571 1.9203 1.9285 2.4489 2.5226 3.1503 3.2248 3.6181 3.6980 3.8353 3.8704 3.9745 4.0533 4.4621 4.4924 4.6083 4.6238 8.1376 8.1468 k = 0.4400 0.3926 0.3049 ( 6716 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5936 -44.5935 -43.3786 -43.3786 -43.2659 -43.2657 -19.6118 -19.6116 -19.4387 -19.4386 -19.4274 -19.4273 -8.7583 -8.7564 -7.3341 -7.3341 -0.5304 -0.5095 0.7580 0.8038 1.1100 1.1627 1.9266 1.9353 2.4388 2.5207 3.1333 3.2157 3.5927 3.6732 3.8382 3.8750 3.9856 4.0640 4.4457 4.4762 4.6046 4.6196 8.2278 8.2383 k = 0.4333 0.4041 0.3049 ( 6712 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5936 -44.5935 -43.3786 -43.3786 -43.2659 -43.2657 -19.6118 -19.6117 -19.4387 -19.4386 -19.4274 -19.4273 -8.7560 -8.7539 -7.3324 -7.3323 -0.5140 -0.4901 0.7184 0.7647 1.1174 1.1689 1.9331 1.9423 2.4281 2.5179 3.1153 3.2052 3.5682 3.6489 3.8412 3.8800 3.9965 4.0743 4.4299 4.4607 4.5993 4.6143 8.3131 8.3250 k = 0.4267 0.4157 0.3049 ( 6712 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5936 -44.5934 -43.3786 -43.3786 -43.2659 -43.2657 -19.6118 -19.6117 -19.4388 -19.4386 -19.4275 -19.4274 -8.7536 -8.7513 -7.3305 -7.3304 -0.4962 -0.4688 0.6761 0.7235 1.1255 1.1757 1.9398 1.9493 2.4169 2.5141 3.0966 3.1935 3.5447 3.6255 3.8441 3.8852 4.0075 4.0843 4.4148 4.4461 4.5925 4.6079 8.3770 8.3888 k = 0.4200 0.4272 0.3049 ( 6720 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5936 -44.5935 -43.3787 -43.3786 -43.2660 -43.2657 -19.6118 -19.6117 -19.4388 -19.4386 -19.4275 -19.4274 -8.7510 -8.7486 -7.3286 -7.3285 -0.4769 -0.4459 0.6315 0.6808 1.1340 1.1829 1.9464 1.9561 2.4052 2.5093 3.0776 3.1809 3.5225 3.6033 3.8470 3.8905 4.0185 4.0943 4.4008 4.4327 4.5843 4.6005 8.4193 8.4302 k = 0.4133 0.4388 0.3049 ( 6712 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5936 -44.5934 -43.3787 -43.3786 -43.2659 -43.2657 -19.6119 -19.6117 -19.4388 -19.4386 -19.4275 -19.4274 -8.7484 -8.7458 -7.3266 -7.3265 -0.4565 -0.4213 0.5851 0.6370 1.1428 1.1906 1.9529 1.9626 2.3932 2.5036 3.0585 3.1676 3.5018 3.5825 3.8498 3.8958 4.0296 4.1042 4.3880 4.4208 4.5749 4.5920 8.4528 8.4630 k = 0.4067 0.4503 0.3049 ( 6708 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5936 -44.5934 -43.3787 -43.3785 -43.2659 -43.2656 -19.6119 -19.6117 -19.4388 -19.4386 -19.4275 -19.4274 -8.7458 -8.7430 -7.3246 -7.3245 -0.4350 -0.3952 0.5373 0.5927 1.1516 1.1985 1.9592 1.9688 2.3810 2.4970 3.0398 3.1541 3.4826 3.5632 3.8524 3.9009 4.0410 4.1141 4.3766 4.4104 4.5643 4.5825 8.4832 8.4927 k = 0.4000 0.4619 0.3049 ( 6704 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5936 -44.5934 -43.3786 -43.3785 -43.2659 -43.2656 -19.6119 -19.6117 -19.4388 -19.4386 -19.4276 -19.4274 -8.7432 -8.7403 -7.3226 -7.3225 -0.4127 -0.3676 0.4885 0.5483 1.1604 1.2066 1.9652 1.9745 2.3687 2.4897 3.0218 3.1406 3.4650 3.5454 3.8547 3.9057 4.0526 4.1240 4.3668 4.4017 4.5526 4.5720 8.5119 8.5207 k = 0.3933 0.4734 0.3049 ( 6708 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5936 -44.5934 -43.3787 -43.3785 -43.2660 -43.2656 -19.6119 -19.6118 -19.4389 -19.4387 -19.4276 -19.4275 -8.7406 -8.7376 -7.3207 -7.3205 -0.3899 -0.3387 0.4393 0.5045 1.1689 1.2146 1.9707 1.9798 2.3566 2.4818 3.0048 3.1276 3.4489 3.5293 3.8569 3.9099 4.0643 4.1338 4.3586 4.3949 4.5401 4.5605 8.5393 8.5474 k = 0.3867 0.4850 0.3049 ( 6708 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5936 -44.5934 -43.3787 -43.3785 -43.2660 -43.2656 -19.6119 -19.6118 -19.4389 -19.4387 -19.4276 -19.4275 -8.7381 -8.7349 -7.3188 -7.3187 -0.3669 -0.3087 0.3901 0.4619 1.1770 1.2224 1.9757 1.9846 2.3449 2.4735 2.9893 3.1153 3.4345 3.5149 3.8587 3.9137 4.0762 4.1434 4.3522 4.3900 4.5267 4.5481 8.5653 8.5726 k = 0.3800 0.4965 0.3049 ( 6696 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5936 -44.5934 -43.3786 -43.3785 -43.2659 -43.2656 -19.6119 -19.6118 -19.4389 -19.4387 -19.4276 -19.4275 -8.7357 -8.7325 -7.3170 -7.3169 -0.3441 -0.2776 0.3414 0.4211 1.1846 1.2299 1.9800 1.9889 2.3338 2.4650 2.9754 3.1041 3.4218 3.5021 3.8603 3.9170 4.0879 4.1526 4.3476 4.3872 4.5129 4.5349 8.5897 8.5961 k = 0.3733 0.5081 0.3049 ( 6704 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5936 -44.5934 -43.3787 -43.3785 -43.2660 -43.2656 -19.6120 -19.6118 -19.4389 -19.4387 -19.4276 -19.4275 -8.7335 -8.7302 -7.3153 -7.3152 -0.3220 -0.2459 0.2938 0.3828 1.1915 1.2368 1.9835 1.9927 2.3236 2.4568 2.9632 3.0941 3.4106 3.4910 3.8615 3.9196 4.0992 4.1613 4.3447 4.3864 4.4987 4.5210 8.6119 8.6175 k = 0.3667 0.5196 0.3049 ( 6712 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5936 -44.5935 -43.3787 -43.3786 -43.2660 -43.2656 -19.6120 -19.6118 -19.4390 -19.4387 -19.4277 -19.4276 -8.7315 -8.7281 -7.3139 -7.3137 -0.3013 -0.2139 0.2479 0.3480 1.1975 1.2430 1.9862 1.9960 2.3145 2.4490 2.9530 3.0855 3.4012 3.4816 3.8625 3.9217 4.1099 4.1691 4.3435 4.3878 4.4846 4.5067 8.6317 8.6363 k = 0.3600 0.5312 0.3049 ( 6720 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5937 -44.5935 -43.3787 -43.3786 -43.2660 -43.2656 -19.6120 -19.6119 -19.4390 -19.4388 -19.4277 -19.4276 -8.7298 -8.7264 -7.3126 -7.3125 -0.2827 -0.1823 0.2045 0.3176 1.2026 1.2482 1.9881 1.9988 2.3066 2.4421 2.9447 3.0784 3.3934 3.4738 3.8632 3.9232 4.1197 4.1759 4.3439 4.3912 4.4710 4.4921 8.6485 8.6522 k = 0.3533 0.5427 0.3049 ( 6730 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5937 -44.5935 -43.3788 -43.3787 -43.2660 -43.2657 -19.6121 -19.6119 -19.4391 -19.4388 -19.4278 -19.4277 -8.7284 -8.7249 -7.3115 -7.3114 -0.2671 -0.1522 0.1650 0.2925 1.2067 1.2525 1.9893 2.0011 2.3003 2.4364 2.9384 3.0729 3.3873 3.4678 3.8636 3.9243 4.1281 4.1814 4.3454 4.3964 4.4586 4.4778 8.6619 8.6647 k = 0.3467 0.5543 0.3049 ( 6750 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5938 -44.5936 -43.3789 -43.3787 -43.2661 -43.2657 -19.6121 -19.6120 -19.4391 -19.4388 -19.4278 -19.4277 -8.7273 -8.7238 -7.3108 -7.3106 -0.2554 -0.1256 0.1316 0.2738 1.2096 1.2555 1.9900 2.0027 2.2957 2.4321 2.9339 3.0690 3.3829 3.4634 3.8639 3.9249 4.1346 4.1855 4.3476 4.4030 4.4485 4.4642 8.6716 8.6735 k = 0.3400 0.5658 0.3049 ( 6754 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5938 -44.5936 -43.3789 -43.3788 -43.2661 -43.2657 -19.6121 -19.6120 -19.4391 -19.4389 -19.4278 -19.4278 -8.7267 -8.7231 -7.3103 -7.3101 -0.2481 -0.1062 0.1081 0.2624 1.2114 1.2574 1.9904 2.0036 2.2929 2.4294 2.9314 3.0667 3.3802 3.4608 3.8640 3.9252 4.1389 4.1880 4.3495 4.4095 4.4420 4.4529 8.6775 8.6785 k = 0.3333 0.5774 0.3049 ( 6750 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5938 -44.5936 -43.3789 -43.3787 -43.2661 -43.2657 -19.6121 -19.6120 -19.4391 -19.4389 -19.4278 -19.4277 -8.7264 -8.7229 -7.3101 -7.3100 -0.2457 -0.0989 0.0994 0.2586 1.2120 1.2580 1.9905 2.0040 2.2919 2.4285 2.9305 3.0659 3.3794 3.4599 3.8641 3.9253 4.1404 4.1889 4.3503 4.4127 4.4404 4.4474 8.6796 8.6800 k = 0.3333 0.5774 0.3049 ( 6750 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5938 -44.5936 -43.3789 -43.3787 -43.2661 -43.2657 -19.6121 -19.6120 -19.4391 -19.4389 -19.4278 -19.4277 -8.7264 -8.7229 -7.3101 -7.3100 -0.2457 -0.0989 0.0994 0.2586 1.2120 1.2580 1.9905 2.0040 2.2919 2.4285 2.9305 3.0659 3.3794 3.4599 3.8641 3.9253 4.1404 4.1889 4.3503 4.4127 4.4404 4.4474 8.6796 8.6800 k = 0.3267 0.5658 0.3049 ( 6752 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5938 -44.5936 -43.3789 -43.3787 -43.2661 -43.2657 -19.6121 -19.6120 -19.4391 -19.4389 -19.4278 -19.4277 -8.7267 -8.7232 -7.3103 -7.3101 -0.2479 -0.1058 0.1077 0.2622 1.2114 1.2574 1.9904 2.0037 2.2929 2.4294 2.9313 3.0667 3.3802 3.4608 3.8640 3.9253 4.1388 4.1880 4.3496 4.4097 4.4419 4.4530 8.6776 8.6787 k = 0.3200 0.5543 0.3049 ( 6740 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5937 -44.5936 -43.3788 -43.3787 -43.2661 -43.2657 -19.6121 -19.6119 -19.4391 -19.4388 -19.4278 -19.4277 -8.7274 -8.7239 -7.3108 -7.3107 -0.2542 -0.1232 0.1294 0.2728 1.2097 1.2557 1.9901 2.0028 2.2958 2.4322 2.9337 3.0688 3.3829 3.4634 3.8641 3.9252 4.1338 4.1852 4.3479 4.4036 4.4481 4.4649 8.6725 8.6746 k = 0.3133 0.5427 0.3049 ( 6722 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5937 -44.5935 -43.3788 -43.3786 -43.2660 -43.2656 -19.6121 -19.6119 -19.4390 -19.4388 -19.4277 -19.4276 -8.7287 -8.7252 -7.3118 -7.3116 -0.2633 -0.1455 0.1590 0.2892 1.2070 1.2528 1.9895 2.0016 2.3007 2.4369 2.9375 3.0723 3.3874 3.4678 3.8643 3.9253 4.1256 4.1804 4.3462 4.3980 4.4583 4.4795 8.6649 8.6681 k = 0.3067 0.5312 0.3049 ( 6722 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5937 -44.5935 -43.3788 -43.3786 -43.2660 -43.2656 -19.6120 -19.6119 -19.4390 -19.4388 -19.4277 -19.4276 -8.7306 -8.7271 -7.3131 -7.3130 -0.2743 -0.1692 0.1928 0.3104 1.2034 1.2491 1.9883 2.0001 2.3075 2.4433 2.9426 3.0769 3.3935 3.4738 3.8646 3.9255 4.1144 4.1734 4.3454 4.3941 4.4712 4.4954 8.6555 8.6599 k = 0.3000 0.5196 0.3049 ( 6718 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5936 -44.5935 -43.3787 -43.3786 -43.2660 -43.2656 -19.6120 -19.6118 -19.4390 -19.4387 -19.4277 -19.4276 -8.7330 -8.7296 -7.3150 -7.3148 -0.2860 -0.1923 0.2290 0.3353 1.1989 1.2445 1.9864 1.9986 2.3163 2.4514 2.9490 3.0827 3.4014 3.4815 3.8652 3.9262 4.1009 4.1643 4.3462 4.3925 4.4860 4.5122 8.6451 8.6507 k = 0.2933 0.5081 0.3049 ( 6714 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5936 -44.5935 -43.3787 -43.3786 -43.2660 -43.2656 -19.6120 -19.6118 -19.4389 -19.4387 -19.4277 -19.4276 -8.7361 -8.7327 -7.3172 -7.3171 -0.2975 -0.2137 0.2663 0.3628 1.1938 1.2394 1.9835 1.9972 2.3268 2.4612 2.9565 3.0895 3.4110 3.4908 3.8662 3.9274 4.0858 4.1535 4.3486 4.3931 4.5019 4.5295 8.6343 8.6412 k = 0.2867 0.4965 0.3049 ( 6718 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5936 -44.5935 -43.3787 -43.3786 -43.2660 -43.2656 -19.6120 -19.6118 -19.4389 -19.4386 -19.4277 -19.4276 -8.7398 -8.7365 -7.3199 -7.3198 -0.3081 -0.2327 0.3041 0.3923 1.1882 1.2338 1.9797 1.9958 2.3391 2.4724 2.9650 3.0970 3.4220 3.5016 3.8677 3.9292 4.0696 4.1415 4.3528 4.3958 4.5186 4.5471 8.6238 8.6319 k = 0.2800 0.4850 0.3049 ( 6722 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5936 -44.5935 -43.3787 -43.3786 -43.2660 -43.2657 -19.6119 -19.6117 -19.4388 -19.4386 -19.4277 -19.4275 -8.7441 -8.7409 -7.3232 -7.3230 -0.3172 -0.2491 0.3419 0.4230 1.1822 1.2279 1.9751 1.9942 2.3531 2.4850 2.9744 3.1053 3.4345 3.5137 3.8699 3.9320 4.0531 4.1288 4.3586 4.4003 4.5358 4.5648 8.6141 8.6234 k = 0.2733 0.4734 0.3049 ( 6722 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5936 -44.5935 -43.3787 -43.3786 -43.2660 -43.2657 -19.6119 -19.6117 -19.4388 -19.4385 -19.4277 -19.4275 -8.7491 -8.7460 -7.3268 -7.3267 -0.3244 -0.2625 0.3795 0.4545 1.1759 1.2218 1.9698 1.9922 2.3686 2.4989 2.9846 3.1142 3.4483 3.5270 3.8729 3.9359 4.0369 4.1161 4.3658 4.4063 4.5531 4.5825 8.6055 8.6161 k = 0.2667 0.4619 0.3049 ( 6718 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5936 -44.5935 -43.3787 -43.3786 -43.2660 -43.2656 -19.6118 -19.6116 -19.4387 -19.4384 -19.4277 -19.4275 -8.7548 -8.7517 -7.3310 -7.3309 -0.3292 -0.2727 0.4165 0.4862 1.1695 1.2157 1.9638 1.9897 2.3855 2.5140 2.9955 3.1235 3.4631 3.5413 3.8768 3.9410 4.0215 4.1039 4.3743 4.4139 4.5703 4.6000 8.5985 8.6103 k = 0.2600 0.4503 0.3049 ( 6718 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5936 -44.5934 -43.3787 -43.3786 -43.2660 -43.2656 -19.6118 -19.6116 -19.4386 -19.4384 -19.4277 -19.4275 -8.7611 -8.7581 -7.3356 -7.3355 -0.3316 -0.2797 0.4528 0.5179 1.1630 1.2095 1.9573 1.9866 2.4038 2.5302 3.0070 3.1330 3.4788 3.5563 3.8819 3.9472 4.0080 4.0927 4.3840 4.4227 4.5874 4.6172 8.5932 8.6064 k = 0.2533 0.4388 0.3049 ( 6718 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5936 -44.5934 -43.3787 -43.3786 -43.2659 -43.2656 -19.6117 -19.6115 -19.4385 -19.4382 -19.4276 -19.4275 -8.7680 -8.7651 -7.3408 -7.3406 -0.3311 -0.2835 0.4881 0.5492 1.1565 1.2034 1.9502 1.9828 2.4234 2.5473 3.0189 3.1427 3.4950 3.5718 3.8881 3.9537 3.9977 4.0832 4.3949 4.4328 4.6042 4.6340 8.5898 8.6044 k = 0.2467 0.4272 0.3049 ( 6710 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5936 -44.5934 -43.3786 -43.3785 -43.2659 -43.2656 -19.6117 -19.6114 -19.4383 -19.4381 -19.4276 -19.4274 -8.7756 -8.7728 -7.3463 -7.3462 -0.3278 -0.2838 0.5224 0.5798 1.1500 1.1973 1.9426 1.9784 2.4441 2.5655 3.0312 3.1524 3.5114 3.5874 3.8957 3.9578 3.9941 4.0759 4.4068 4.4439 4.6206 4.6504 8.5884 8.6044 k = 0.2400 0.4157 0.3049 ( 6724 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5936 -44.5934 -43.3787 -43.3785 -43.2659 -43.2656 -19.6116 -19.6113 -19.4382 -19.4380 -19.4276 -19.4274 -8.7838 -8.7811 -7.3524 -7.3523 -0.3215 -0.2808 0.5553 0.6095 1.1436 1.1912 1.9346 1.9732 2.4660 2.5845 3.0437 3.1620 3.5276 3.6028 3.9046 3.9564 4.0006 4.0714 4.4198 4.4561 4.6365 4.6663 8.5887 8.6065 k = 0.2333 0.4041 0.3049 ( 6720 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5936 -44.5934 -43.3787 -43.3785 -43.2659 -43.2656 -19.6115 -19.6112 -19.4381 -19.4379 -19.4276 -19.4274 -8.7926 -8.7900 -7.3589 -7.3587 -0.3122 -0.2744 0.5870 0.6382 1.1372 1.1852 1.9261 1.9674 2.4889 2.6044 3.0564 3.1713 3.5435 3.6177 3.9146 3.9523 4.0150 4.0703 4.4338 4.4694 4.6520 4.6817 8.5906 8.6103 k = 0.2267 0.3926 0.3049 ( 6732 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5936 -44.5935 -43.3787 -43.3786 -43.2659 -43.2656 -19.6115 -19.6112 -19.4380 -19.4378 -19.4277 -19.4274 -8.8019 -8.7994 -7.3658 -7.3656 -0.2999 -0.2647 0.6171 0.6657 1.1309 1.1791 1.9172 1.9608 2.5128 2.6251 3.0691 3.1803 3.5587 3.6319 3.9255 3.9486 4.0343 4.0736 4.4488 4.4836 4.6668 4.6966 8.5936 8.6156 k = 0.2200 0.3811 0.3049 ( 6732 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5936 -44.5935 -43.3787 -43.3786 -43.2658 -43.2656 -19.6114 -19.6111 -19.4378 -19.4376 -19.4277 -19.4274 -8.8118 -8.8094 -7.3730 -7.3729 -0.2844 -0.2517 0.6457 0.6918 1.1246 1.1730 1.9080 1.9536 2.5378 2.6467 3.0819 3.1888 3.5731 3.6452 3.9368 3.9469 4.0571 4.0823 4.4648 4.4988 4.6812 4.7109 8.5971 8.6219 k = 0.2133 0.3695 0.3049 ( 6728 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5936 -44.5934 -43.3787 -43.3785 -43.2658 -43.2656 -19.6113 -19.6110 -19.4376 -19.4374 -19.4276 -19.4274 -8.8222 -8.8198 -7.3807 -7.3806 -0.2660 -0.2355 0.6728 0.7164 1.1183 1.1667 1.8983 1.9456 2.5637 2.6691 3.0946 3.1969 3.5867 3.6575 3.9453 3.9501 4.0817 4.0979 4.4818 4.5149 4.6952 4.7249 8.6001 8.6282 k = 0.2067 0.3580 0.3049 ( 6730 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5936 -44.5934 -43.3787 -43.3785 -43.2658 -43.2656 -19.6112 -19.6109 -19.4374 -19.4373 -19.4277 -19.4274 -8.8330 -8.8307 -7.3887 -7.3885 -0.2446 -0.2161 0.6981 0.7395 1.1119 1.1602 1.8883 1.9370 2.5906 2.6925 3.1071 3.2046 3.5994 3.6689 3.9487 3.9605 4.1063 4.1223 4.4998 4.5317 4.7088 4.7386 8.6010 8.6331 k = 0.2000 0.3464 0.3049 ( 6722 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5935 -44.5934 -43.3786 -43.3785 -43.2657 -43.2655 -19.6111 -19.6107 -19.4372 -19.4371 -19.4276 -19.4274 -8.8442 -8.8420 -7.3970 -7.3968 -0.2203 -0.1936 0.7218 0.7610 1.1055 1.1535 1.8779 1.9278 2.6185 2.7168 3.1195 3.2118 3.6113 3.6796 3.9536 3.9716 4.1323 4.1534 4.5186 4.5492 4.7222 4.7521 8.5978 8.6346 k = 0.1933 0.3349 0.3049 ( 6734 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5935 -44.5934 -43.3787 -43.3785 -43.2657 -43.2655 -19.6110 -19.6106 -19.4371 -19.4369 -19.4277 -19.4274 -8.8558 -8.8537 -7.4056 -7.4054 -0.1932 -0.1682 0.7437 0.7807 1.0990 1.1464 1.8671 1.9179 2.6473 2.7419 3.1317 3.2185 3.6227 3.6897 3.9606 3.9828 4.1617 4.1883 4.5382 4.5672 4.7355 4.7657 8.5879 8.6295 k = 0.1867 0.3233 0.3049 ( 6736 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5935 -44.5934 -43.3787 -43.3785 -43.2657 -43.2655 -19.6109 -19.6105 -19.4369 -19.4367 -19.4277 -19.4274 -8.8677 -8.8657 -7.4144 -7.4142 -0.1634 -0.1400 0.7639 0.7987 1.0924 1.1390 1.8559 1.9074 2.6771 2.7680 3.1437 3.2249 3.6338 3.6994 3.9696 3.9944 4.1947 4.2257 4.5583 4.5853 4.7492 4.7797 8.5688 8.6142 k = 0.1800 0.3118 0.3049 ( 6734 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5935 -44.5934 -43.3786 -43.3785 -43.2657 -43.2655 -19.6108 -19.6104 -19.4366 -19.4365 -19.4277 -19.4274 -8.8799 -8.8779 -7.4234 -7.4232 -0.1311 -0.1091 0.7822 0.8150 1.0857 1.1313 1.8444 1.8963 2.7077 2.7950 3.1554 3.2310 3.6449 3.7091 3.9803 4.0065 4.2308 4.2650 4.5786 4.6032 4.7635 4.7944 8.5384 8.5859 k = 0.1733 0.3002 0.3049 ( 6742 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5935 -44.5934 -43.3786 -43.3785 -43.2657 -43.2655 -19.6107 -19.6103 -19.4365 -19.4363 -19.4277 -19.4274 -8.8923 -8.8903 -7.4325 -7.4324 -0.0962 -0.0756 0.7988 0.8295 1.0790 1.1233 1.8325 1.8846 2.7391 2.8227 3.1670 3.2368 3.6562 3.7190 3.9927 4.0194 4.2693 4.3057 4.5988 4.6205 4.7790 4.8104 8.4966 8.5439 k = 0.1667 0.2887 0.3049 ( 6742 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5935 -44.5934 -43.3786 -43.3785 -43.2656 -43.2655 -19.6106 -19.6102 -19.4362 -19.4361 -19.4277 -19.4274 -8.9048 -8.9029 -7.4418 -7.4417 -0.0592 -0.0397 0.8135 0.8422 1.0724 1.1150 1.8202 1.8723 2.7711 2.8512 3.1784 3.2424 3.6681 3.7293 4.0065 4.0331 4.3098 4.3476 4.6182 4.6366 4.7961 4.8280 8.4444 8.4898 k = 0.1600 0.2771 0.3049 ( 6746 PWs) bands (ev): -74.9684 -74.9684 -47.5619 -47.5619 -44.5935 -44.5934 -43.3786 -43.3785 -43.2656 -43.2655 -19.6105 -19.6101 -19.4360 -19.4359 -19.4277 -19.4274 -8.9174 -8.9156 -7.4512 -7.4510 -0.0200 -0.0016 0.8263 0.8532 1.0658 1.1066 1.8075 1.8595 2.8038 2.8803 3.1895 3.2478 3.6807 3.7404 4.0215 4.0475 4.3519 4.3903 4.6363 4.6510 4.8155 4.8479 8.3835 8.4263 k = 0.1533 0.2656 0.3049 ( 6748 PWs) bands (ev): -74.9684 -74.9684 -47.5619 -47.5619 -44.5935 -44.5934 -43.3786 -43.3785 -43.2656 -43.2655 -19.6104 -19.6100 -19.4358 -19.4357 -19.4277 -19.4274 -8.9301 -8.9283 -7.4606 -7.4604 0.0212 0.0385 0.8371 0.8626 1.0593 1.0979 1.7945 1.8462 2.8367 2.9097 3.2005 3.2532 3.6945 3.7524 4.0375 4.0626 4.3951 4.4335 4.6524 4.6636 4.8376 4.8703 8.3158 8.3556 k = 0.1467 0.2540 0.3049 ( 6748 PWs) bands (ev): -74.9684 -74.9684 -47.5619 -47.5619 -44.5935 -44.5934 -43.3786 -43.3785 -43.2656 -43.2655 -19.6102 -19.6098 -19.4356 -19.4354 -19.4277 -19.4274 -8.9427 -8.9409 -7.4700 -7.4698 0.0640 0.0804 0.8459 0.8705 1.0532 1.0893 1.7810 1.8323 2.8698 2.9393 3.2112 3.2585 3.7095 3.7657 4.0542 4.0782 4.4392 4.4772 4.6662 4.6740 4.8626 4.8953 8.2428 8.2797 k = 0.1400 0.2425 0.3049 ( 6746 PWs) bands (ev): -74.9684 -74.9684 -47.5619 -47.5619 -44.5935 -44.5934 -43.3786 -43.3785 -43.2655 -43.2654 -19.6101 -19.6097 -19.4353 -19.4352 -19.4277 -19.4274 -8.9552 -8.9535 -7.4793 -7.4792 0.1083 0.1240 0.8525 0.8770 1.0474 1.0808 1.7672 1.8180 2.9028 2.9688 3.2217 3.2638 3.7261 3.7804 4.0715 4.0943 4.4841 4.5211 4.6776 4.6825 4.8904 4.9228 8.1656 8.1997 k = 0.1333 0.2309 0.3049 ( 6734 PWs) bands (ev): -74.9684 -74.9684 -47.5619 -47.5619 -44.5934 -44.5933 -43.3786 -43.3784 -43.2654 -43.2654 -19.6099 -19.6096 -19.4350 -19.4349 -19.4277 -19.4274 -8.9676 -8.9659 -7.4885 -7.4884 0.1539 0.1690 0.8568 0.8825 1.0420 1.0725 1.7530 1.8032 2.9354 2.9980 3.2320 3.2690 3.7445 3.7967 4.0892 4.1107 4.5295 4.5652 4.6865 4.6892 4.9206 4.9523 8.0851 8.1168 k = 0.1267 0.2194 0.3049 ( 6734 PWs) bands (ev): -74.9684 -74.9684 -47.5619 -47.5619 -44.5934 -44.5933 -43.3786 -43.3784 -43.2654 -43.2653 -19.6098 -19.6094 -19.4348 -19.4347 -19.4277 -19.4274 -8.9798 -8.9782 -7.4976 -7.4975 0.2004 0.2151 0.8590 0.8870 1.0370 1.0646 1.7383 1.7879 2.9672 3.0264 3.2421 3.2742 3.7649 3.8148 4.1072 4.1273 4.5753 4.6092 4.6929 4.6950 4.9528 4.9835 8.0020 8.0315 k = 0.1200 0.2078 0.3049 ( 6738 PWs) bands (ev): -74.9684 -74.9684 -47.5619 -47.5619 -44.5934 -44.5933 -43.3786 -43.3784 -43.2654 -43.2653 -19.6097 -19.6093 -19.4346 -19.4345 -19.4277 -19.4274 -8.9917 -8.9902 -7.5065 -7.5064 0.2476 0.2622 0.8592 0.8907 1.0323 1.0573 1.7233 1.7721 2.9981 3.0539 3.2518 3.2795 3.7872 3.8348 4.1252 4.1440 4.6216 4.6519 4.6970 4.7015 4.9863 5.0158 7.9168 7.9443 k = 0.1133 0.1963 0.3049 ( 6746 PWs) bands (ev): -74.9684 -74.9684 -47.5619 -47.5619 -44.5934 -44.5933 -43.3786 -43.3785 -43.2654 -43.2653 -19.6096 -19.6092 -19.4344 -19.4343 -19.4278 -19.4274 -9.0033 -9.0019 -7.5152 -7.5151 0.2950 0.3099 0.8576 0.8935 1.0281 1.0506 1.7079 1.7559 3.0276 3.0801 3.2612 3.2847 3.8117 3.8566 4.1432 4.1607 4.6676 4.6850 4.7002 4.7167 5.0207 5.0487 7.8300 7.8559 k = 0.1067 0.1848 0.3049 ( 6740 PWs) bands (ev): -74.9684 -74.9684 -47.5619 -47.5619 -44.5934 -44.5933 -43.3786 -43.3785 -43.2653 -43.2653 -19.6095 -19.6091 -19.4341 -19.4341 -19.4278 -19.4274 -9.0146 -9.0132 -7.5237 -7.5235 0.3424 0.3581 0.8547 0.8958 1.0241 1.0447 1.6920 1.7392 3.0556 3.1048 3.2703 3.2899 3.8382 3.8804 4.1611 4.1772 4.6934 4.6990 4.7192 4.7543 5.0552 5.0818 7.7420 7.7664 k = 0.1000 0.1732 0.3049 ( 6750 PWs) bands (ev): -74.9684 -74.9684 -47.5619 -47.5619 -44.5934 -44.5933 -43.3786 -43.3785 -43.2653 -43.2653 -19.6094 -19.6090 -19.4340 -19.4339 -19.4278 -19.4275 -9.0254 -9.0241 -7.5318 -7.5317 0.3892 0.4064 0.8507 0.8976 1.0203 1.0396 1.6758 1.7221 3.0818 3.1277 3.2790 3.2950 3.8666 3.9059 4.1789 4.1935 4.6955 4.7007 4.7658 4.7993 5.0894 5.1144 7.6534 7.6764 k = 0.0933 0.1617 0.3049 ( 6754 PWs) bands (ev): -74.9684 -74.9684 -47.5619 -47.5619 -44.5934 -44.5933 -43.3786 -43.3785 -43.2653 -43.2653 -19.6093 -19.6090 -19.4338 -19.4337 -19.4278 -19.4275 -9.0358 -9.0345 -7.5396 -7.5395 0.4351 0.4546 0.8461 0.8993 1.0167 1.0353 1.6592 1.7046 3.1061 3.1488 3.2873 3.3002 3.8966 3.9328 4.1964 4.2097 4.6952 4.7004 4.8143 4.8462 5.1228 5.1462 7.5643 7.5863 k = 0.0867 0.1501 0.3049 ( 6750 PWs) bands (ev): -74.9684 -74.9684 -47.5619 -47.5619 -44.5934 -44.5933 -43.3786 -43.3785 -43.2652 -43.2652 -19.6092 -19.6089 -19.4336 -19.4335 -19.4278 -19.4275 -9.0457 -9.0445 -7.5470 -7.5469 0.4795 0.5022 0.8411 0.9012 1.0134 1.0318 1.6422 1.6866 3.1284 3.1680 3.2951 3.3053 3.9278 3.9609 4.2137 4.2256 4.6939 4.6992 4.8637 4.8942 5.1551 5.1770 7.4754 7.4963 k = 0.0800 0.1386 0.3049 ( 6762 PWs) bands (ev): -74.9684 -74.9684 -47.5619 -47.5619 -44.5934 -44.5933 -43.3786 -43.3785 -43.2653 -43.2652 -19.6091 -19.6088 -19.4334 -19.4334 -19.4278 -19.4275 -9.0550 -9.0539 -7.5540 -7.5539 0.5216 0.5486 0.8363 0.9039 1.0102 1.0289 1.6248 1.6682 3.1486 3.1850 3.3024 3.3103 3.9596 3.9896 4.2308 4.2413 4.6919 4.6972 4.9135 4.9428 5.1860 5.2062 7.3870 7.4071 k = 0.0733 0.1270 0.3049 ( 6770 PWs) bands (ev): -74.9684 -74.9684 -47.5620 -47.5620 -44.5934 -44.5933 -43.3786 -43.3785 -43.2653 -43.2653 -19.6090 -19.6087 -19.4333 -19.4332 -19.4278 -19.4276 -9.0637 -9.0627 -7.5606 -7.5605 0.5610 0.5933 0.8321 0.9078 1.0073 1.0267 1.6073 1.6495 3.1667 3.2001 3.3093 3.3153 3.9916 4.0183 4.2478 4.2568 4.6893 4.6947 4.9638 4.9918 5.2151 5.2338 7.2998 7.3190 k = 0.0667 0.1155 0.3049 ( 6780 PWs) bands (ev): -74.9684 -74.9684 -47.5620 -47.5620 -44.5934 -44.5934 -43.3786 -43.3786 -43.2653 -43.2653 -19.6090 -19.6087 -19.4331 -19.4331 -19.4278 -19.4276 -9.0718 -9.0709 -7.5667 -7.5666 0.5968 0.6354 0.8293 0.9136 1.0048 1.0250 1.5895 1.6304 3.1829 3.2132 3.3157 3.3201 4.0230 4.0464 4.2647 4.2723 4.6863 4.6916 5.0142 5.0410 5.2422 5.2594 7.2143 7.2327 k = 0.0600 0.1039 0.3049 ( 6780 PWs) bands (ev): -74.9684 -74.9684 -47.5620 -47.5620 -44.5934 -44.5934 -43.3786 -43.3786 -43.2653 -43.2653 -19.6089 -19.6086 -19.4330 -19.4330 -19.4278 -19.4276 -9.0793 -9.0784 -7.5723 -7.5722 0.6284 0.6732 0.8292 0.9216 1.0027 1.0239 1.5716 1.6111 3.1972 3.2245 3.3216 3.3248 4.0531 4.0732 4.2815 4.2877 4.6830 4.6882 5.0643 5.0900 5.2673 5.2830 7.1312 7.1488 k = 0.0533 0.0924 0.3049 ( 6768 PWs) bands (ev): -74.9684 -74.9684 -47.5620 -47.5620 -44.5934 -44.5933 -43.3786 -43.3785 -43.2652 -43.2652 -19.6088 -19.6085 -19.4328 -19.4328 -19.4278 -19.4276 -9.0860 -9.0852 -7.5774 -7.5773 0.6551 0.7046 0.8336 0.9319 1.0014 1.0234 1.5540 1.5916 3.2098 3.2339 3.3271 3.3293 4.0811 4.0980 4.2984 4.3031 4.6796 4.6846 5.1138 5.1381 5.2903 5.3045 7.0514 7.0681 k = 0.0467 0.0808 0.3049 ( 6768 PWs) bands (ev): -74.9685 -74.9684 -47.5620 -47.5620 -44.5934 -44.5933 -43.3786 -43.3785 -43.2652 -43.2652 -19.6087 -19.6085 -19.4327 -19.4327 -19.4278 -19.4276 -9.0920 -9.0913 -7.5819 -7.5818 0.6768 0.7270 0.8446 0.9439 1.0011 1.0237 1.5367 1.5722 3.2206 3.2417 3.3320 3.3335 4.1065 4.1203 4.3150 4.3185 4.6761 4.6808 5.1618 5.1844 5.3111 5.3238 6.9758 6.9915 k = 0.0400 0.0693 0.3049 ( 6764 PWs) bands (ev): -74.9685 -74.9685 -47.5620 -47.5620 -44.5933 -44.5933 -43.3786 -43.3785 -43.2652 -43.2652 -19.6086 -19.6084 -19.4326 -19.4326 -19.4278 -19.4276 -9.0972 -9.0966 -7.5859 -7.5858 0.6938 0.7397 0.8626 0.9559 1.0029 1.0249 1.5202 1.5531 3.2299 3.2479 3.3363 3.3373 4.1287 4.1397 4.3312 4.3336 4.6726 4.6770 5.2073 5.2281 5.3299 5.3409 6.9057 6.9201 k = 0.0333 0.0577 0.3049 ( 6760 PWs) bands (ev): -74.9685 -74.9685 -47.5620 -47.5620 -44.5933 -44.5933 -43.3785 -43.3785 -43.2651 -43.2651 -19.6085 -19.6084 -19.4325 -19.4325 -19.4277 -19.4276 -9.1017 -9.1012 -7.5893 -7.5892 0.7067 0.7451 0.8842 0.9650 1.0084 1.0271 1.5051 1.5346 3.2378 3.2527 3.3401 3.3407 4.1474 4.1559 4.3466 4.3480 4.6694 4.6732 5.2492 5.2675 5.3470 5.3562 6.8423 6.8552 k = 0.0267 0.0462 0.3049 ( 6756 PWs) bands (ev): -74.9685 -74.9685 -47.5620 -47.5620 -44.5933 -44.5933 -43.3785 -43.3785 -43.2651 -43.2651 -19.6085 -19.6084 -19.4324 -19.4324 -19.4277 -19.4276 -9.1053 -9.1049 -7.5921 -7.5920 0.7164 0.7464 0.9058 0.9694 1.0177 1.0305 1.4919 1.5173 3.2443 3.2562 3.3433 3.3436 4.1626 4.1689 4.3604 4.3611 4.6664 4.6697 5.2857 5.3007 5.3629 5.3698 6.7873 6.7983 k = 0.0200 0.0346 0.3049 ( 6758 PWs) bands (ev): -74.9685 -74.9685 -47.5620 -47.5620 -44.5933 -44.5933 -43.3785 -43.3785 -43.2651 -43.2651 -19.6084 -19.6084 -19.4324 -19.4324 -19.4277 -19.4276 -9.1082 -9.1079 -7.5943 -7.5942 0.7237 0.7455 0.9248 0.9701 1.0284 1.0350 1.4814 1.5018 3.2496 3.2584 3.3458 3.3459 4.1743 4.1787 4.3721 4.3724 4.6640 4.6666 5.3150 5.3258 5.3781 5.3823 6.7423 6.7511 k = 0.0133 0.0231 0.3049 ( 6762 PWs) bands (ev): -74.9685 -74.9685 -47.5620 -47.5620 -44.5933 -44.5933 -43.3785 -43.3785 -43.2652 -43.2652 -19.6084 -19.6084 -19.4323 -19.4323 -19.4277 -19.4276 -9.1102 -9.1100 -7.5958 -7.5958 0.7293 0.7435 0.9400 0.9684 1.0376 1.0398 1.4743 1.4886 3.2537 3.2596 3.3476 3.3476 4.1826 4.1854 4.3810 4.3811 4.6622 4.6640 5.3355 5.3418 5.3919 5.3935 6.7091 6.7152 k = 0.0067 0.0115 0.3049 ( 6754 PWs) bands (ev): -74.9685 -74.9685 -47.5620 -47.5620 -44.5933 -44.5933 -43.3785 -43.3785 -43.2651 -43.2651 -19.6084 -19.6083 -19.4323 -19.4323 -19.4277 -19.4276 -9.1114 -9.1113 -7.5968 -7.5968 0.7338 0.7408 0.9513 0.9649 1.0435 1.0438 1.4713 1.4788 3.2568 3.2597 3.3487 3.3487 4.1878 4.1891 4.3866 4.3866 4.6613 4.6622 5.3474 5.3501 5.4017 5.4019 6.6891 6.6922 k = 0.0000 0.0000 0.3049 ( 6766 PWs) bands (ev): -74.9685 -74.9685 -47.5620 -47.5620 -44.5933 -44.5933 -43.3785 -43.3785 -43.2652 -43.2652 -19.6084 -19.6084 -19.4323 -19.4323 -19.4277 -19.4277 -9.1118 -9.1118 -7.5971 -7.5971 0.7376 0.7376 0.9594 0.9594 1.0454 1.0454 1.4729 1.4729 3.2587 3.2587 3.3490 3.3490 4.1899 4.1899 4.3885 4.3885 4.6613 4.6613 5.3519 5.3519 5.4052 5.4052 6.6834 6.6834 k = 0.5000 0.2887 0.3049 ( 6748 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5936 -44.5936 -43.3787 -43.3787 -43.2658 -43.2658 -19.6117 -19.6117 -19.4386 -19.4386 -19.4273 -19.4273 -8.7686 -8.7686 -7.3425 -7.3425 -0.5987 -0.5987 0.9581 0.9581 1.1161 1.1161 1.8935 1.8935 2.5077 2.5077 3.2375 3.2375 3.7933 3.7933 3.8462 3.8462 3.9440 3.9440 4.5785 4.5785 4.6066 4.6066 7.7443 7.7443 k = 0.5000 0.2887 0.2916 ( 6734 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5936 -44.5936 -43.3787 -43.3787 -43.2658 -43.2658 -19.6117 -19.6117 -19.4386 -19.4386 -19.4273 -19.4273 -8.7686 -8.7686 -7.3425 -7.3425 -0.5985 -0.5980 0.9572 0.9596 1.1163 1.1176 1.8897 1.8971 2.5038 2.5082 3.2374 3.2377 3.7899 3.7965 3.8434 3.8489 3.9430 3.9445 4.5766 4.5776 4.6061 4.6066 7.7395 7.7398 k = 0.5000 0.2887 0.2784 ( 6730 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5935 -44.5935 -43.3786 -43.3786 -43.2658 -43.2658 -19.6116 -19.6116 -19.4386 -19.4386 -19.4273 -19.4273 -8.7687 -8.7687 -7.3425 -7.3425 -0.5973 -0.5962 0.9568 0.9615 1.1180 1.1208 1.8855 1.9004 2.4966 2.5054 3.2372 3.2378 3.7863 3.7992 3.8408 3.8513 3.9413 3.9443 4.5711 4.5733 4.6053 4.6065 7.7267 7.7274 k = 0.5000 0.2887 0.2651 ( 6732 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5936 -44.5936 -43.3786 -43.3786 -43.2658 -43.2658 -19.6117 -19.6117 -19.4386 -19.4386 -19.4273 -19.4273 -8.7687 -8.7687 -7.3426 -7.3426 -0.5951 -0.5935 0.9568 0.9638 1.1213 1.1258 1.8809 1.9034 2.4860 2.4993 3.2371 3.2380 3.7826 3.8010 3.8385 3.8534 3.9392 3.9436 4.5610 4.5647 4.6053 4.6076 7.7093 7.7106 k = 0.5000 0.2887 0.2519 ( 6722 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5935 -44.5935 -43.3786 -43.3786 -43.2658 -43.2658 -19.6116 -19.6116 -19.4386 -19.4386 -19.4273 -19.4273 -8.7688 -8.7688 -7.3427 -7.3426 -0.5920 -0.5899 0.9574 0.9662 1.1262 1.1326 1.8760 1.9063 2.4722 2.4902 3.2370 3.2381 3.7790 3.8020 3.8366 3.8549 3.9366 3.9423 4.5463 4.5514 4.6070 4.6101 7.6907 7.6928 k = 0.5000 0.2887 0.2386 ( 6734 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5936 -44.5936 -43.3787 -43.3787 -43.2658 -43.2658 -19.6117 -19.6117 -19.4386 -19.4386 -19.4273 -19.4273 -8.7689 -8.7689 -7.3428 -7.3428 -0.5880 -0.5854 0.9584 0.9688 1.1326 1.1413 1.8706 1.9091 2.4554 2.4783 3.2369 3.2383 3.7756 3.8017 3.8353 3.8557 3.9336 3.9405 4.5275 4.5338 4.6100 4.6138 7.6737 7.6767 k = 0.5000 0.2887 0.2253 ( 6728 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5935 -44.5935 -43.3786 -43.3786 -43.2658 -43.2658 -19.6116 -19.6116 -19.4386 -19.4386 -19.4273 -19.4273 -8.7690 -8.7690 -7.3430 -7.3429 -0.5832 -0.5802 0.9598 0.9713 1.1405 1.1520 1.8649 1.9120 2.4356 2.4638 3.2368 3.2385 3.7722 3.8003 3.8343 3.8558 3.9302 3.9382 4.5053 4.5126 4.6142 4.6185 7.6602 7.6639 k = 0.5000 0.2887 0.2121 ( 6738 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5936 -44.5936 -43.3787 -43.3787 -43.2658 -43.2658 -19.6117 -19.6117 -19.4386 -19.4386 -19.4273 -19.4273 -8.7691 -8.7691 -7.3431 -7.3430 -0.5776 -0.5742 0.9613 0.9738 1.1500 1.1646 1.8588 1.9148 2.4132 2.4470 3.2368 3.2386 3.7690 3.7980 3.8335 3.8549 3.9266 3.9354 4.4804 4.4884 4.6192 4.6240 7.6510 7.6555 k = 0.5000 0.2887 0.1988 ( 6728 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5935 -44.5935 -43.3786 -43.3786 -43.2658 -43.2658 -19.6116 -19.6116 -19.4386 -19.4386 -19.4273 -19.4273 -8.7693 -8.7692 -7.3433 -7.3432 -0.5714 -0.5677 0.9631 0.9760 1.1609 1.1790 1.8524 1.9179 2.3884 2.4281 3.2368 3.2389 3.7660 3.7950 3.8325 3.8532 3.9227 3.9322 4.4535 4.4622 4.6250 4.6301 7.6467 7.6519 k = 0.5000 0.2887 0.1856 ( 6736 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5936 -44.5936 -43.3787 -43.3787 -43.2658 -43.2658 -19.6117 -19.6117 -19.4386 -19.4386 -19.4273 -19.4273 -8.7694 -8.7694 -7.3435 -7.3434 -0.5646 -0.5606 0.9649 0.9780 1.1732 1.1951 1.8458 1.9213 2.3614 2.4075 3.2369 3.2391 3.7630 3.7913 3.8309 3.8504 3.9188 3.9286 4.4254 4.4346 4.6313 4.6365 7.6473 7.6531 k = 0.5000 0.2887 0.1723 ( 6732 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5936 -44.5936 -43.3787 -43.3787 -43.2658 -43.2658 -19.6116 -19.6116 -19.4386 -19.4386 -19.4273 -19.4273 -8.7696 -8.7695 -7.3437 -7.3436 -0.5574 -0.5532 0.9668 0.9797 1.1868 1.2127 1.8392 1.9251 2.3325 2.3854 3.2370 3.2393 3.7600 3.7873 3.8286 3.8467 3.9147 3.9247 4.3969 4.4064 4.6379 4.6432 7.6525 7.6588 k = 0.5000 0.2887 0.1591 ( 6724 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5935 -44.5935 -43.3787 -43.3787 -43.2658 -43.2658 -19.6116 -19.6116 -19.4385 -19.4385 -19.4273 -19.4273 -8.7697 -8.7697 -7.3439 -7.3438 -0.5499 -0.5455 0.9686 0.9812 1.2015 1.2316 1.8327 1.9294 2.3020 2.3622 3.2372 3.2396 3.7570 3.7827 3.8255 3.8419 3.9107 3.9205 4.3687 4.3784 4.6448 4.6500 7.6619 7.6685 k = 0.5000 0.2887 0.1458 ( 6716 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5935 -44.5935 -43.3786 -43.3786 -43.2657 -43.2657 -19.6116 -19.6116 -19.4385 -19.4385 -19.4273 -19.4273 -8.7699 -8.7698 -7.3441 -7.3440 -0.5422 -0.5378 0.9704 0.9824 1.2172 1.2513 1.8265 1.9343 2.2701 2.3381 3.2374 3.2398 3.7539 3.7777 3.8216 3.8362 3.9067 3.9160 4.3416 4.3513 4.6517 4.6569 7.6748 7.6815 k = 0.5000 0.2887 0.1326 ( 6716 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5935 -44.5935 -43.3786 -43.3786 -43.2657 -43.2657 -19.6116 -19.6116 -19.4385 -19.4385 -19.4273 -19.4273 -8.7700 -8.7700 -7.3443 -7.3442 -0.5344 -0.5301 0.9720 0.9834 1.2337 1.2715 1.8210 1.9400 2.2372 2.3134 3.2377 3.2401 3.7505 3.7721 3.8170 3.8298 3.9028 3.9114 4.3162 4.3258 4.6586 4.6635 7.6905 7.6972 k = 0.5000 0.2887 0.1193 ( 6712 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5935 -44.5935 -43.3786 -43.3786 -43.2657 -43.2657 -19.6116 -19.6116 -19.4385 -19.4385 -19.4273 -19.4273 -8.7702 -8.7702 -7.3445 -7.3444 -0.5268 -0.5226 0.9736 0.9842 1.2506 1.2917 1.8166 1.9466 2.2036 2.2883 3.2380 3.2403 3.7468 3.7658 3.8121 3.8228 3.8991 3.9069 4.2930 4.3023 4.6653 4.6699 7.7080 7.7147 k = 0.5000 0.2887 0.1060 ( 6714 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5935 -44.5935 -43.3786 -43.3786 -43.2657 -43.2657 -19.6116 -19.6116 -19.4385 -19.4385 -19.4273 -19.4273 -8.7703 -8.7703 -7.3447 -7.3446 -0.5194 -0.5154 0.9751 0.9847 1.2678 1.3112 1.8137 1.9541 2.1696 2.2630 3.2383 3.2406 3.7425 3.7587 3.8071 3.8156 3.8956 3.9024 4.2723 4.2812 4.6716 4.6759 7.7267 7.7331 k = 0.5000 0.2887 0.0928 ( 6710 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5935 -44.5935 -43.3786 -43.3786 -43.2657 -43.2657 -19.6116 -19.6116 -19.4385 -19.4385 -19.4272 -19.4272 -8.7705 -8.7704 -7.3448 -7.3448 -0.5125 -0.5087 0.9765 0.9851 1.2849 1.3295 1.8128 1.9624 2.1357 2.2379 3.2387 3.2408 3.7376 3.7509 3.8023 3.8088 3.8925 3.8983 4.2545 4.2627 4.6775 4.6814 7.7457 7.7516 k = 0.5000 0.2887 0.0795 ( 6718 PWs) bands (ev): -74.9684 -74.9684 -47.5618 -47.5618 -44.5935 -44.5935 -43.3786 -43.3786 -43.2657 -43.2657 -19.6116 -19.6116 -19.4385 -19.4385 -19.4273 -19.4273 -8.7706 -8.7706 -7.3450 -7.3449 -0.5060 -0.5026 0.9778 0.9853 1.3017 1.3458 1.8146 1.9713 2.1026 2.2129 3.2390 3.2409 3.7322 3.7426 3.7981 3.8025 3.8896 3.8945 4.2394 4.2468 4.6829 4.6863 7.7640 7.7694 k = 0.5000 0.2887 0.0663 ( 6690 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5934 -44.5934 -43.3785 -43.3785 -43.2657 -43.2657 -19.6115 -19.6115 -19.4385 -19.4385 -19.4272 -19.4272 -8.7707 -8.7707 -7.3451 -7.3451 -0.5003 -0.4973 0.9790 0.9853 1.3178 1.3595 1.8196 1.9799 2.0715 2.1883 3.2395 3.2411 3.7265 3.7344 3.7945 3.7973 3.8873 3.8912 4.2273 4.2337 4.6877 4.6906 7.7810 7.7858 k = 0.5000 0.2887 0.0530 ( 6690 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5934 -44.5934 -43.3785 -43.3785 -43.2657 -43.2657 -19.6115 -19.6115 -19.4385 -19.4385 -19.4272 -19.4272 -8.7708 -8.7708 -7.3452 -7.3452 -0.4953 -0.4929 0.9801 0.9852 1.3329 1.3700 1.8282 1.9842 2.0469 2.1644 3.2398 3.2412 3.7208 3.7265 3.7916 3.7932 3.8853 3.8884 4.2177 4.2230 4.6918 4.6941 7.7960 7.8000 k = 0.5000 0.2887 0.0398 ( 6690 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5934 -44.5934 -43.3785 -43.3785 -43.2657 -43.2657 -19.6115 -19.6115 -19.4385 -19.4385 -19.4272 -19.4272 -8.7708 -8.7708 -7.3453 -7.3453 -0.4913 -0.4894 0.9811 0.9850 1.3466 1.3769 1.8408 1.9748 2.0383 2.1412 3.2402 3.2412 3.7157 3.7197 3.7893 3.7901 3.8838 3.8860 4.2107 4.2148 4.6951 4.6969 7.8084 7.8114 k = 0.5000 0.2887 0.0265 ( 6688 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5934 -44.5934 -43.3785 -43.3785 -43.2657 -43.2657 -19.6115 -19.6115 -19.4385 -19.4385 -19.4272 -19.4272 -8.7709 -8.7709 -7.3454 -7.3454 -0.4882 -0.4869 0.9820 0.9846 1.3585 1.3800 1.8572 1.9522 2.0459 2.1189 3.2405 3.2412 3.7118 3.7142 3.7877 3.7880 3.8828 3.8843 4.2060 4.2088 4.6976 4.6988 7.8177 7.8198 k = 0.5000 0.2887 0.0133 ( 6692 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5934 -44.5934 -43.3786 -43.3786 -43.2657 -43.2657 -19.6116 -19.6116 -19.4385 -19.4385 -19.4272 -19.4272 -8.7709 -8.7709 -7.3454 -7.3454 -0.4862 -0.4855 0.9828 0.9841 1.3682 1.3794 1.8774 1.9261 2.0605 2.0978 3.2407 3.2411 3.7094 3.7106 3.7867 3.7868 3.8824 3.8831 4.2036 4.2050 4.6992 4.6998 7.8236 7.8247 k = 0.5000 0.2887-0.0000 ( 6696 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5934 -44.5934 -43.3786 -43.3786 -43.2657 -43.2657 -19.6116 -19.6116 -19.4385 -19.4385 -19.4272 -19.4272 -8.7709 -8.7709 -7.3454 -7.3454 -0.4853 -0.4853 0.9835 0.9835 1.3754 1.3754 1.9006 1.9006 2.0781 2.0781 3.2409 3.2409 3.7090 3.7090 3.7864 3.7864 3.8824 3.8824 4.2032 4.2032 4.7000 4.7000 7.8260 7.8260 k = 0.3333 0.5774-0.0000 ( 6696 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5936 -44.5934 -43.3787 -43.3785 -43.2660 -43.2656 -19.6120 -19.6118 -19.4390 -19.4388 -19.4277 -19.4276 -8.7271 -8.7235 -7.3163 -7.3162 -0.0792 0.0795 0.0902 0.2337 1.5190 1.5220 1.9506 1.9565 2.3304 2.4172 2.4582 2.5585 3.4039 3.4817 3.8021 3.8045 4.0073 4.0577 4.2141 4.2581 4.2993 4.3624 8.8395 8.8544 k = 0.3333 0.5774 0.0133 ( 6714 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5936 -44.5935 -43.3787 -43.3786 -43.2660 -43.2656 -19.6121 -19.6119 -19.4391 -19.4388 -19.4277 -19.4276 -8.7271 -8.7235 -7.3163 -7.3162 -0.0800 0.0796 0.0892 0.2338 1.5168 1.5203 1.9509 1.9572 2.3302 2.4198 2.4580 2.5611 3.4037 3.4816 3.8046 3.8071 4.0068 4.0572 4.2137 4.2578 4.2995 4.3626 8.8428 8.8577 k = 0.3333 0.5774 0.0265 ( 6720 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5937 -44.5935 -43.3788 -43.3786 -43.2660 -43.2656 -19.6121 -19.6119 -19.4391 -19.4388 -19.4277 -19.4277 -8.7271 -8.7235 -7.3162 -7.3161 -0.0825 0.0799 0.0863 0.2341 1.5101 1.5152 1.9516 1.9590 2.3297 2.4277 2.4576 2.5690 3.4034 3.4813 3.8123 3.8149 4.0054 4.0556 4.2126 4.2569 4.3001 4.3634 8.8526 8.8677 k = 0.3333 0.5774 0.0398 ( 6708 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5936 -44.5934 -43.3787 -43.3786 -43.2660 -43.2656 -19.6120 -19.6119 -19.4390 -19.4388 -19.4277 -19.4276 -8.7270 -8.7235 -7.3161 -7.3160 -0.0866 0.0803 0.0816 0.2347 1.4995 1.5071 1.9528 1.9618 2.3288 2.4406 2.4570 2.5819 3.4029 3.4808 3.8250 3.8280 4.0031 4.0530 4.2109 4.2555 4.3012 4.3646 8.8690 8.8843 k = 0.3333 0.5774 0.0530 ( 6702 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5936 -44.5934 -43.3787 -43.3785 -43.2660 -43.2656 -19.6120 -19.6119 -19.4390 -19.4388 -19.4277 -19.4276 -8.7270 -8.7235 -7.3159 -7.3158 -0.0923 0.0751 0.0809 0.2354 1.4855 1.4962 1.9545 1.9652 2.3276 2.4561 2.4582 2.5994 3.4021 3.4801 3.8424 3.8460 4.0001 4.0494 4.2085 4.2534 4.3027 4.3663 8.8918 8.9073 k = 0.3333 0.5774 0.0663 ( 6696 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5936 -44.5934 -43.3787 -43.3785 -43.2660 -43.2656 -19.6120 -19.6118 -19.4390 -19.4388 -19.4277 -19.4276 -8.7270 -8.7235 -7.3156 -7.3155 -0.0993 0.0670 0.0817 0.2364 1.4689 1.4829 1.9564 1.9690 2.3260 2.4550 2.4799 2.6210 3.4012 3.4793 3.8640 3.8687 3.9965 4.0450 4.2055 4.2507 4.3047 4.3685 8.9209 8.9368 k = 0.3333 0.5774 0.0795 ( 6696 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5936 -44.5934 -43.3787 -43.3785 -43.2660 -43.2656 -19.6120 -19.6118 -19.4390 -19.4388 -19.4277 -19.4276 -8.7270 -8.7234 -7.3153 -7.3152 -0.1075 0.0576 0.0826 0.2375 1.4502 1.4678 1.9587 1.9730 2.3242 2.4537 2.5052 2.6461 3.4001 3.4783 3.8893 3.8958 3.9929 4.0396 4.2021 4.2475 4.3071 4.3710 8.9561 8.9724 k = 0.3333 0.5774 0.0928 ( 6696 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5936 -44.5934 -43.3787 -43.3785 -43.2660 -43.2656 -19.6120 -19.6118 -19.4390 -19.4388 -19.4277 -19.4276 -8.7269 -8.7234 -7.3150 -7.3149 -0.1167 0.0470 0.0837 0.2388 1.4301 1.4513 1.9613 1.9769 2.3222 2.4522 2.5335 2.6741 3.3988 3.4772 3.9164 3.9269 3.9904 4.0335 4.1982 4.2438 4.3098 4.3738 8.9971 9.0139 k = 0.3333 0.5774 0.1060 ( 6708 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5936 -44.5934 -43.3787 -43.3786 -43.2660 -43.2656 -19.6120 -19.6119 -19.4390 -19.4388 -19.4277 -19.4276 -8.7269 -8.7234 -7.3146 -7.3145 -0.1268 0.0354 0.0848 0.2402 1.4093 1.4338 1.9639 1.9805 2.3199 2.4505 2.5642 2.7044 3.3974 3.4759 3.9402 3.9614 3.9940 4.0266 4.1940 4.2396 4.3128 4.3768 9.0437 9.0612 k = 0.3333 0.5774 0.1193 ( 6699 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5936 -44.5934 -43.3787 -43.3785 -43.2660 -43.2656 -19.6120 -19.6118 -19.4390 -19.4388 -19.4277 -19.4276 -8.7269 -8.7233 -7.3143 -7.3141 -0.1376 0.0231 0.0861 0.2418 1.3882 1.4158 1.9667 1.9839 2.3175 2.4486 2.5966 2.7365 3.3959 3.4746 3.9504 3.9990 4.0135 4.0192 4.1896 4.2352 4.3161 4.3801 9.0955 9.1139 k = 0.3333 0.5774 0.1326 ( 6705 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5936 -44.5934 -43.3787 -43.3786 -43.2660 -43.2656 -19.6120 -19.6119 -19.4390 -19.4388 -19.4277 -19.4276 -8.7268 -8.7233 -7.3138 -7.3137 -0.1487 0.0104 0.0874 0.2434 1.3672 1.3977 1.9695 1.9870 2.3150 2.4467 2.6303 2.7696 3.3943 3.4732 3.9486 4.0112 4.0387 4.0468 4.1853 4.2305 4.3196 4.3836 9.1522 9.1716 k = 0.3333 0.5774 0.1458 ( 6693 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5936 -44.5934 -43.3786 -43.3785 -43.2660 -43.2656 -19.6120 -19.6118 -19.4390 -19.4388 -19.4276 -19.4276 -8.7268 -8.7232 -7.3134 -7.3133 -0.1601 -0.0025 0.0887 0.2451 1.3467 1.3798 1.9723 1.9898 2.3124 2.4447 2.6645 2.8033 3.3927 3.4718 3.9426 4.0029 4.0798 4.0857 4.1815 4.2257 4.3231 4.3871 9.2129 9.2341 k = 0.3333 0.5774 0.1591 ( 6699 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5936 -44.5934 -43.3787 -43.3785 -43.2660 -43.2656 -19.6120 -19.6118 -19.4390 -19.4388 -19.4277 -19.4276 -8.7267 -8.7232 -7.3130 -7.3129 -0.1714 -0.0153 0.0901 0.2468 1.3271 1.3624 1.9749 1.9923 2.3098 2.4427 2.6987 2.8370 3.3911 3.4703 3.9348 3.9942 4.1203 4.1269 4.1794 4.2209 4.3266 4.3906 9.2088 9.2478 k = 0.3333 0.5774 0.1723 ( 6690 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5936 -44.5934 -43.3786 -43.3785 -43.2659 -43.2656 -19.6120 -19.6118 -19.4390 -19.4387 -19.4276 -19.4276 -8.7267 -8.7232 -7.3126 -7.3125 -0.1825 -0.0279 0.0914 0.2485 1.3084 1.3458 1.9775 1.9945 2.3072 2.4407 2.7323 2.8702 3.3894 3.4688 3.9262 3.9854 4.1513 4.1692 4.1873 4.2162 4.3301 4.3942 9.1363 9.1705 k = 0.3333 0.5774 0.1856 ( 6702 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5936 -44.5934 -43.3787 -43.3785 -43.2660 -43.2656 -19.6120 -19.6119 -19.4390 -19.4388 -19.4277 -19.4276 -8.7266 -8.7231 -7.3122 -7.3121 -0.1932 -0.0400 0.0927 0.2501 1.2910 1.3302 1.9799 1.9964 2.3046 2.4387 2.7649 2.9023 3.3878 3.4673 3.9173 3.9764 4.1581 4.2111 4.2116 4.2191 4.3335 4.3975 9.0642 9.0915 k = 0.3333 0.5774 0.1988 ( 6693 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5936 -44.5934 -43.3786 -43.3785 -43.2660 -43.2656 -19.6120 -19.6118 -19.4390 -19.4388 -19.4276 -19.4276 -8.7266 -8.7231 -7.3118 -7.3117 -0.2033 -0.0513 0.0940 0.2517 1.2751 1.3158 1.9820 1.9981 2.3023 2.4368 2.7959 2.9328 3.3862 3.4660 3.9083 3.9677 4.1564 4.2073 4.2520 4.2585 4.3367 4.4008 8.9941 9.0153 k = 0.3333 0.5774 0.2121 ( 6693 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5936 -44.5934 -43.3786 -43.3785 -43.2660 -43.2656 -19.6120 -19.6118 -19.4390 -19.4388 -19.4276 -19.4276 -8.7266 -8.7230 -7.3114 -7.3113 -0.2126 -0.0618 0.0951 0.2532 1.2608 1.3027 1.9840 1.9996 2.3000 2.4350 2.8247 2.9613 3.3848 3.4647 3.8996 3.9592 4.1534 4.2033 4.2907 4.2973 4.3397 4.4039 8.9278 8.9437 k = 0.3333 0.5774 0.2253 ( 6693 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5936 -44.5934 -43.3786 -43.3785 -43.2660 -43.2656 -19.6120 -19.6118 -19.4390 -19.4388 -19.4276 -19.4276 -8.7265 -8.7230 -7.3111 -7.3110 -0.2209 -0.0712 0.0962 0.2545 1.2481 1.2912 1.9857 2.0008 2.2980 2.4334 2.8510 2.9872 3.3835 3.4635 3.8913 3.9513 4.1504 4.1997 4.3265 4.3336 4.3423 4.4068 8.8669 8.8783 k = 0.3333 0.5774 0.2386 ( 6699 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5936 -44.5934 -43.3787 -43.3785 -43.2660 -43.2656 -19.6120 -19.6118 -19.4390 -19.4388 -19.4277 -19.4276 -8.7265 -8.7230 -7.3108 -7.3107 -0.2283 -0.0794 0.0971 0.2557 1.2372 1.2812 1.9872 2.0018 2.2962 2.4320 2.8742 3.0102 3.3823 3.4625 3.8837 3.9441 4.1476 4.1965 4.3447 4.3583 4.3662 4.4095 8.8127 8.8204 k = 0.3333 0.5774 0.2519 ( 6708 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5936 -44.5934 -43.3787 -43.3785 -43.2660 -43.2656 -19.6120 -19.6119 -19.4391 -19.4388 -19.4277 -19.4276 -8.7265 -8.7229 -7.3105 -7.3104 -0.2344 -0.0863 0.0979 0.2567 1.2282 1.2730 1.9884 2.0026 2.2947 2.4308 2.8938 3.0296 3.3812 3.4616 3.8771 3.9377 4.1451 4.1939 4.3467 4.3851 4.3944 4.4122 8.7665 8.7712 k = 0.3333 0.5774 0.2651 ( 6714 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5936 -44.5935 -43.3787 -43.3786 -43.2660 -43.2657 -19.6121 -19.6119 -19.4391 -19.4388 -19.4277 -19.4276 -8.7265 -8.7229 -7.3103 -7.3102 -0.2393 -0.0918 0.0985 0.2575 1.2212 1.2665 1.9893 2.0032 2.2935 2.4298 2.9096 3.0452 3.3804 3.4609 3.8716 3.9325 4.1431 4.1917 4.3482 4.4039 4.4171 4.4173 8.7293 8.7318 k = 0.3333 0.5774 0.2784 ( 6726 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5937 -44.5935 -43.3788 -43.3786 -43.2661 -43.2657 -19.6121 -19.6119 -19.4391 -19.4388 -19.4277 -19.4276 -8.7264 -8.7229 -7.3102 -7.3101 -0.2428 -0.0957 0.0990 0.2581 1.2161 1.2618 1.9900 2.0037 2.2926 2.4291 2.9211 3.0566 3.3798 3.4603 3.8675 3.9286 4.1417 4.1902 4.3494 4.4105 4.4283 4.4338 8.7022 8.7030 k = 0.3333 0.5774 0.2916 ( 6750 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5938 -44.5936 -43.3788 -43.3787 -43.2661 -43.2657 -19.6121 -19.6120 -19.4391 -19.4389 -19.4278 -19.4277 -8.7264 -8.7229 -7.3101 -7.3100 -0.2450 -0.0981 0.0993 0.2584 1.2130 1.2590 1.9904 2.0039 2.2921 2.4286 2.9282 3.0636 3.3795 3.4600 3.8649 3.9261 4.1407 4.1892 4.3501 4.4122 4.4372 4.4440 8.6855 8.6856 k = 0.3333 0.5774 0.3049 ( 6750 PWs) bands (ev): -74.9684 -74.9684 -47.5617 -47.5617 -44.5938 -44.5936 -43.3789 -43.3787 -43.2661 -43.2657 -19.6121 -19.6120 -19.4391 -19.4389 -19.4278 -19.4277 -8.7264 -8.7229 -7.3101 -7.3100 -0.2457 -0.0989 0.0994 0.2586 1.2120 1.2580 1.9905 2.0040 2.2919 2.4285 2.9305 3.0659 3.3794 3.4599 3.8641 3.9253 4.1404 4.1889 4.3503 4.4127 4.4404 4.4474 8.6796 8.6800 Writing output data file NaMnSe2.save init_run : 3.15s CPU 10.88s WALL ( 1 calls) electrons : 499.72s CPU 507.95s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.51s CPU 1.56s WALL ( 1 calls) Called by electrons: c_bands : 499.67s CPU 507.59s WALL ( 1 calls) v_of_rho : 0.08s CPU 0.81s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.07s CPU 0.55s WALL ( 1 calls) newd : 0.59s CPU 0.70s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.09s WALL ( 314 calls) cegterg : 466.95s CPU 470.91s WALL ( 536 calls) Called by sum_band: Called by *egterg: h_psi : 276.09s CPU 282.62s WALL ( 9037 calls) s_psi : 9.22s CPU 9.42s WALL ( 9037 calls) g_psi : 0.69s CPU 0.81s WALL ( 8187 calls) cdiaghg : 117.33s CPU 115.47s WALL ( 8501 calls) cegterg:over : 41.31s CPU 39.84s WALL ( 8187 calls) cegterg:upda : 9.95s CPU 12.31s WALL ( 8187 calls) cegterg:last : 9.17s CPU 9.88s WALL ( 1667 calls) Called by h_psi: h_psi:vloc : 253.17s CPU 258.43s WALL ( 9037 calls) h_psi:vnl : 22.66s CPU 23.50s WALL ( 9037 calls) add_vuspsi : 5.72s CPU 7.98s WALL ( 9037 calls) General routines calbec : 16.90s CPU 15.47s WALL ( 9037 calls) fft : 0.49s CPU 1.31s WALL ( 19 calls) ffts : 0.01s CPU 0.05s WALL ( 4 calls) fftw : 228.97s CPU 230.91s WALL ( 875568 calls) interpolate : 0.17s CPU 0.26s WALL ( 4 calls) davcio : 0.04s CPU 2.57s WALL ( 628 calls) Parallel routines fft_scatter : 137.00s CPU 136.89s WALL ( 875591 calls) PWSCF : 9m16.78s CPU 11m57.35s WALL This run was terminated on: 22:53:56 8Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=