Program PWSCF v.5.4.0 starts on 10Feb2017 at 15:42:57 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 & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 36 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: ./H2CClF.save/ file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 53 32 9 2502 1189 185 Max 54 33 10 2511 1208 192 Sum 1939 1185 341 90251 43175 6749 bravais-lattice index = 14 lattice parameter (alat) = 7.8380 a.u. unit-cell volume = 903.4259 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 4 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.838016 celldm(2)= 1.210454 celldm(3)= 1.631651 celldm(4)= 0.312418 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.210454 0.000000 ) a(3) = ( 0.000000 0.509757 1.549979 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.826136 -0.271700 ) b(3) = ( 0.000000 0.000000 0.645170 ) PseudoPot. # 1 for H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Cl read from file: /users/gautes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1157 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 4 for F read from file: /users/gautes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1105 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 H 1.00 1.00790 H( 1.00) Cl 7.00 35.45300 Cl( 1.00) C 4.00 12.01070 C( 1.00) F 7.00 18.99840 F( 1.00) No symmetry found (note: 1 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E Cartesian axes number of k points= 283 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035336 k( 2) = ( 0.0000000 0.0000000 0.0129034), wk = 0.0035336 k( 3) = ( 0.0000000 0.0000000 0.0258068), wk = 0.0035336 k( 4) = ( 0.0000000 0.0000000 0.0387102), wk = 0.0035336 k( 5) = ( 0.0000000 0.0000000 0.0516136), wk = 0.0035336 k( 6) = ( 0.0000000 0.0000000 0.0645170), wk = 0.0035336 k( 7) = ( 0.0000000 0.0000000 0.0774204), wk = 0.0035336 k( 8) = ( 0.0000000 0.0000000 0.0903238), wk = 0.0035336 k( 9) = ( 0.0000000 0.0000000 0.1032272), wk = 0.0035336 k( 10) = ( 0.0000000 0.0000000 0.1161306), wk = 0.0035336 k( 11) = ( 0.0000000 0.0000000 0.1290340), wk = 0.0035336 k( 12) = ( 0.0000000 0.0000000 0.1419374), wk = 0.0035336 k( 13) = ( 0.0000000 0.0000000 0.1548408), wk = 0.0035336 k( 14) = ( 0.0000000 0.0000000 0.1677442), wk = 0.0035336 k( 15) = ( 0.0000000 0.0000000 0.1806477), wk = 0.0035336 k( 16) = ( 0.0000000 0.0000000 0.1935511), wk = 0.0035336 k( 17) = ( 0.0000000 0.0000000 0.2064545), wk = 0.0035336 k( 18) = ( 0.0000000 0.0000000 0.2193579), wk = 0.0035336 k( 19) = ( 0.0000000 0.0000000 0.2322613), wk = 0.0035336 k( 20) = ( 0.0000000 0.0000000 0.2451647), wk = 0.0035336 k( 21) = ( 0.0000000 0.0000000 0.2580681), wk = 0.0035336 k( 22) = ( 0.0000000 0.0000000 0.2709715), wk = 0.0035336 k( 23) = ( 0.0000000 0.0000000 0.2838749), wk = 0.0035336 k( 24) = ( 0.0000000 0.0000000 0.2967783), wk = 0.0035336 k( 25) = ( 0.0000000 0.0000000 0.3096817), wk = 0.0035336 k( 26) = ( 0.0000000 0.0000000 0.3225851), wk = 0.0035336 k( 27) = ( 0.0000000 0.0000000 0.3225851), wk = 0.0035336 k( 28) = ( 0.0000000 0.0130242 0.3225851), wk = 0.0035336 k( 29) = ( 0.0000000 0.0260485 0.3225851), wk = 0.0035336 k( 30) = ( 0.0000000 0.0390727 0.3225851), wk = 0.0035336 k( 31) = ( 0.0000000 0.0520970 0.3225851), wk = 0.0035336 k( 32) = ( 0.0000000 0.0651212 0.3225851), wk = 0.0035336 k( 33) = ( 0.0000000 0.0781455 0.3225851), wk = 0.0035336 k( 34) = ( 0.0000000 0.0911697 0.3225851), wk = 0.0035336 k( 35) = ( 0.0000000 0.1041940 0.3225851), wk = 0.0035336 k( 36) = ( 0.0000000 0.1172182 0.3225851), wk = 0.0035336 k( 37) = ( 0.0000000 0.1302425 0.3225851), wk = 0.0035336 k( 38) = ( 0.0000000 0.1432667 0.3225851), wk = 0.0035336 k( 39) = ( 0.0000000 0.1562910 0.3225851), wk = 0.0035336 k( 40) = ( 0.0000000 0.1693152 0.3225851), wk = 0.0035336 k( 41) = ( 0.0000000 0.1823395 0.3225851), wk = 0.0035336 k( 42) = ( 0.0000000 0.1953637 0.3225851), wk = 0.0035336 k( 43) = ( 0.0000000 0.2083880 0.3225851), wk = 0.0035336 k( 44) = ( 0.0000000 0.2214122 0.3225851), wk = 0.0035336 k( 45) = ( 0.0000000 0.2344365 0.3225851), wk = 0.0035336 k( 46) = ( 0.0000000 0.2474607 0.3225851), wk = 0.0035336 k( 47) = ( 0.0000000 0.2604849 0.3225851), wk = 0.0035336 k( 48) = ( 0.0000000 0.2735092 0.3225851), wk = 0.0035336 k( 49) = ( 0.0000000 0.2865334 0.3225851), wk = 0.0035336 k( 50) = ( 0.0000000 0.2995577 0.3225851), wk = 0.0035336 k( 51) = ( 0.0000000 0.3125819 0.3225851), wk = 0.0035336 k( 52) = ( 0.0000000 0.3256062 0.3225851), wk = 0.0035336 k( 53) = ( 0.0000000 0.3386304 0.3225851), wk = 0.0035336 k( 54) = ( 0.0000000 0.3516547 0.3225851), wk = 0.0035336 k( 55) = ( 0.0000000 0.3516547 0.3225851), wk = 0.0035336 k( 56) = ( 0.0000000 0.3567725 0.3112643), wk = 0.0035336 k( 57) = ( 0.0000000 0.3618903 0.2999435), wk = 0.0035336 k( 58) = ( 0.0000000 0.3670080 0.2886226), wk = 0.0035336 k( 59) = ( 0.0000000 0.3721258 0.2773018), wk = 0.0035336 k( 60) = ( 0.0000000 0.3772436 0.2659810), wk = 0.0035336 k( 61) = ( 0.0000000 0.3823614 0.2546602), wk = 0.0035336 k( 62) = ( 0.0000000 0.3874792 0.2433393), wk = 0.0035336 k( 63) = ( 0.0000000 0.3925970 0.2320185), wk = 0.0035336 k( 64) = ( 0.0000000 0.3977148 0.2206977), wk = 0.0035336 k( 65) = ( 0.0000000 0.4028326 0.2093769), wk = 0.0035336 k( 66) = ( 0.0000000 0.4079504 0.1980561), wk = 0.0035336 k( 67) = ( 0.0000000 0.4130682 0.1867352), wk = 0.0035336 k( 68) = ( 0.0000000 0.4130682 0.1867352), wk = 0.0035336 k( 69) = ( 0.0131579 0.4130682 0.1867352), wk = 0.0035336 k( 70) = ( 0.0263158 0.4130682 0.1867352), wk = 0.0035336 k( 71) = ( 0.0394737 0.4130682 0.1867352), wk = 0.0035336 k( 72) = ( 0.0526316 0.4130682 0.1867352), wk = 0.0035336 k( 73) = ( 0.0657895 0.4130682 0.1867352), wk = 0.0035336 k( 74) = ( 0.0789474 0.4130682 0.1867352), wk = 0.0035336 k( 75) = ( 0.0921053 0.4130682 0.1867352), wk = 0.0035336 k( 76) = ( 0.1052632 0.4130682 0.1867352), wk = 0.0035336 k( 77) = ( 0.1184210 0.4130682 0.1867352), wk = 0.0035336 k( 78) = ( 0.1315790 0.4130682 0.1867352), wk = 0.0035336 k( 79) = ( 0.1447368 0.4130682 0.1867352), wk = 0.0035336 k( 80) = ( 0.1578947 0.4130682 0.1867352), wk = 0.0035336 k( 81) = ( 0.1710526 0.4130682 0.1867352), wk = 0.0035336 k( 82) = ( 0.1842105 0.4130682 0.1867352), wk = 0.0035336 k( 83) = ( 0.1973684 0.4130682 0.1867352), wk = 0.0035336 k( 84) = ( 0.2105263 0.4130682 0.1867352), wk = 0.0035336 k( 85) = ( 0.2236842 0.4130682 0.1867352), wk = 0.0035336 k( 86) = ( 0.2368421 0.4130682 0.1867352), wk = 0.0035336 k( 87) = ( 0.2500000 0.4130682 0.1867352), wk = 0.0035336 k( 88) = ( 0.2631579 0.4130682 0.1867352), wk = 0.0035336 k( 89) = ( 0.2763158 0.4130682 0.1867352), wk = 0.0035336 k( 90) = ( 0.2894737 0.4130682 0.1867352), wk = 0.0035336 k( 91) = ( 0.3026316 0.4130682 0.1867352), wk = 0.0035336 k( 92) = ( 0.3157895 0.4130682 0.1867352), wk = 0.0035336 k( 93) = ( 0.3289474 0.4130682 0.1867352), wk = 0.0035336 k( 94) = ( 0.3421053 0.4130682 0.1867352), wk = 0.0035336 k( 95) = ( 0.3552632 0.4130682 0.1867352), wk = 0.0035336 k( 96) = ( 0.3684211 0.4130682 0.1867352), wk = 0.0035336 k( 97) = ( 0.3815789 0.4130682 0.1867352), wk = 0.0035336 k( 98) = ( 0.3947368 0.4130682 0.1867352), wk = 0.0035336 k( 99) = ( 0.4078947 0.4130682 0.1867352), wk = 0.0035336 k( 100) = ( 0.4210526 0.4130682 0.1867352), wk = 0.0035336 k( 101) = ( 0.4342105 0.4130682 0.1867352), wk = 0.0035336 k( 102) = ( 0.4473684 0.4130682 0.1867352), wk = 0.0035336 k( 103) = ( 0.4605263 0.4130682 0.1867352), wk = 0.0035336 k( 104) = ( 0.4736842 0.4130682 0.1867352), wk = 0.0035336 k( 105) = ( 0.4868421 0.4130682 0.1867352), wk = 0.0035336 k( 106) = ( 0.5000000 0.4130682 0.1867352), wk = 0.0035336 k( 107) = ( 0.5000000 0.4130682 0.1867352), wk = 0.0035336 k( 108) = ( 0.5000000 0.4181859 0.1754144), wk = 0.0035336 k( 109) = ( 0.5000000 0.4233037 0.1640936), wk = 0.0035336 k( 110) = ( 0.5000000 0.4284215 0.1527728), wk = 0.0035336 k( 111) = ( 0.5000000 0.4335393 0.1414520), wk = 0.0035336 k( 112) = ( 0.5000000 0.4386571 0.1301311), wk = 0.0035336 k( 113) = ( 0.5000000 0.4437749 0.1188103), wk = 0.0035336 k( 114) = ( 0.5000000 0.4488927 0.1074895), wk = 0.0035336 k( 115) = ( 0.5000000 0.4540105 0.0961687), wk = 0.0035336 k( 116) = ( 0.5000000 0.4591283 0.0848479), wk = 0.0035336 k( 117) = ( 0.5000000 0.4642461 0.0735270), wk = 0.0035336 k( 118) = ( 0.5000000 0.4693639 0.0622062), wk = 0.0035336 k( 119) = ( 0.5000000 0.4744816 0.0508854), wk = 0.0035336 k( 120) = ( 0.5000000 0.4744816 0.0508854), wk = 0.0035336 k( 121) = ( 0.5000000 0.4703874 0.0384364), wk = 0.0035336 k( 122) = ( 0.5000000 0.4662932 0.0259874), wk = 0.0035336 k( 123) = ( 0.5000000 0.4621989 0.0135383), wk = 0.0035336 k( 124) = ( 0.5000000 0.4581047 0.0010893), wk = 0.0035336 k( 125) = ( 0.5000000 0.4540105 -0.0113597), wk = 0.0035336 k( 126) = ( 0.5000000 0.4499163 -0.0238087), wk = 0.0035336 k( 127) = ( 0.5000000 0.4458220 -0.0362577), wk = 0.0035336 k( 128) = ( 0.5000000 0.4417278 -0.0487067), wk = 0.0035336 k( 129) = ( 0.5000000 0.4376336 -0.0611557), wk = 0.0035336 k( 130) = ( 0.5000000 0.4335393 -0.0736048), wk = 0.0035336 k( 131) = ( 0.5000000 0.4294451 -0.0860538), wk = 0.0035336 k( 132) = ( 0.5000000 0.4253509 -0.0985028), wk = 0.0035336 k( 133) = ( 0.5000000 0.4212566 -0.1109518), wk = 0.0035336 k( 134) = ( 0.5000000 0.4171624 -0.1234008), wk = 0.0035336 k( 135) = ( 0.5000000 0.4130682 -0.1358498), wk = 0.0035336 k( 136) = ( 0.5000000 0.4130682 -0.1358498), wk = 0.0035336 k( 137) = ( 0.4868421 0.4130682 -0.1358498), wk = 0.0035336 k( 138) = ( 0.4736842 0.4130682 -0.1358498), wk = 0.0035336 k( 139) = ( 0.4605263 0.4130682 -0.1358498), wk = 0.0035336 k( 140) = ( 0.4473684 0.4130682 -0.1358498), wk = 0.0035336 k( 141) = ( 0.4342105 0.4130682 -0.1358498), wk = 0.0035336 k( 142) = ( 0.4210526 0.4130682 -0.1358498), wk = 0.0035336 k( 143) = ( 0.4078947 0.4130682 -0.1358498), wk = 0.0035336 k( 144) = ( 0.3947368 0.4130682 -0.1358498), wk = 0.0035336 k( 145) = ( 0.3815789 0.4130682 -0.1358498), wk = 0.0035336 k( 146) = ( 0.3684211 0.4130682 -0.1358498), wk = 0.0035336 k( 147) = ( 0.3552632 0.4130682 -0.1358498), wk = 0.0035336 k( 148) = ( 0.3421053 0.4130682 -0.1358498), wk = 0.0035336 k( 149) = ( 0.3289474 0.4130682 -0.1358498), wk = 0.0035336 k( 150) = ( 0.3157895 0.4130682 -0.1358498), wk = 0.0035336 k( 151) = ( 0.3026316 0.4130682 -0.1358498), wk = 0.0035336 k( 152) = ( 0.2894737 0.4130682 -0.1358498), wk = 0.0035336 k( 153) = ( 0.2763158 0.4130682 -0.1358498), wk = 0.0035336 k( 154) = ( 0.2631579 0.4130682 -0.1358498), wk = 0.0035336 k( 155) = ( 0.2500000 0.4130682 -0.1358498), wk = 0.0035336 k( 156) = ( 0.2368421 0.4130682 -0.1358498), wk = 0.0035336 k( 157) = ( 0.2236842 0.4130682 -0.1358498), wk = 0.0035336 k( 158) = ( 0.2105263 0.4130682 -0.1358498), wk = 0.0035336 k( 159) = ( 0.1973684 0.4130682 -0.1358498), wk = 0.0035336 k( 160) = ( 0.1842105 0.4130682 -0.1358498), wk = 0.0035336 k( 161) = ( 0.1710526 0.4130682 -0.1358498), wk = 0.0035336 k( 162) = ( 0.1578947 0.4130682 -0.1358498), wk = 0.0035336 k( 163) = ( 0.1447368 0.4130682 -0.1358498), wk = 0.0035336 k( 164) = ( 0.1315790 0.4130682 -0.1358498), wk = 0.0035336 k( 165) = ( 0.1184210 0.4130682 -0.1358498), wk = 0.0035336 k( 166) = ( 0.1052632 0.4130682 -0.1358498), wk = 0.0035336 k( 167) = ( 0.0921053 0.4130682 -0.1358498), wk = 0.0035336 k( 168) = ( 0.0789474 0.4130682 -0.1358498), wk = 0.0035336 k( 169) = ( 0.0657895 0.4130682 -0.1358498), wk = 0.0035336 k( 170) = ( 0.0526316 0.4130682 -0.1358498), wk = 0.0035336 k( 171) = ( 0.0394737 0.4130682 -0.1358498), wk = 0.0035336 k( 172) = ( 0.0263158 0.4130682 -0.1358498), wk = 0.0035336 k( 173) = ( 0.0131579 0.4130682 -0.1358498), wk = 0.0035336 k( 174) = ( 0.0000000 0.4130682 -0.1358498), wk = 0.0035336 k( 175) = ( 0.0000000 0.4130682 -0.1358498), wk = 0.0035336 k( 176) = ( 0.0000000 0.4171624 -0.1234008), wk = 0.0035336 k( 177) = ( 0.0000000 0.4212566 -0.1109518), wk = 0.0035336 k( 178) = ( 0.0000000 0.4253509 -0.0985028), wk = 0.0035336 k( 179) = ( 0.0000000 0.4294451 -0.0860538), wk = 0.0035336 k( 180) = ( 0.0000000 0.4335393 -0.0736048), wk = 0.0035336 k( 181) = ( 0.0000000 0.4376336 -0.0611557), wk = 0.0035336 k( 182) = ( 0.0000000 0.4417278 -0.0487067), wk = 0.0035336 k( 183) = ( 0.0000000 0.4458220 -0.0362577), wk = 0.0035336 k( 184) = ( 0.0000000 0.4499163 -0.0238087), wk = 0.0035336 k( 185) = ( 0.0000000 0.4540105 -0.0113597), wk = 0.0035336 k( 186) = ( 0.0000000 0.4581047 0.0010893), wk = 0.0035336 k( 187) = ( 0.0000000 0.4621989 0.0135383), wk = 0.0035336 k( 188) = ( 0.0000000 0.4662932 0.0259874), wk = 0.0035336 k( 189) = ( 0.0000000 0.4703874 0.0384364), wk = 0.0035336 k( 190) = ( 0.0000000 0.4744816 0.0508854), wk = 0.0035336 k( 191) = ( 0.5000000 0.3516547 0.3225851), wk = 0.0035336 k( 192) = ( 0.5000000 0.3386304 0.3225851), wk = 0.0035336 k( 193) = ( 0.5000000 0.3256062 0.3225851), wk = 0.0035336 k( 194) = ( 0.5000000 0.3125819 0.3225851), wk = 0.0035336 k( 195) = ( 0.5000000 0.2995577 0.3225851), wk = 0.0035336 k( 196) = ( 0.5000000 0.2865334 0.3225851), wk = 0.0035336 k( 197) = ( 0.5000000 0.2735092 0.3225851), wk = 0.0035336 k( 198) = ( 0.5000000 0.2604849 0.3225851), wk = 0.0035336 k( 199) = ( 0.5000000 0.2474607 0.3225851), wk = 0.0035336 k( 200) = ( 0.5000000 0.2344365 0.3225851), wk = 0.0035336 k( 201) = ( 0.5000000 0.2214122 0.3225851), wk = 0.0035336 k( 202) = ( 0.5000000 0.2083880 0.3225851), wk = 0.0035336 k( 203) = ( 0.5000000 0.1953637 0.3225851), wk = 0.0035336 k( 204) = ( 0.5000000 0.1823395 0.3225851), wk = 0.0035336 k( 205) = ( 0.5000000 0.1693152 0.3225851), wk = 0.0035336 k( 206) = ( 0.5000000 0.1562910 0.3225851), wk = 0.0035336 k( 207) = ( 0.5000000 0.1432667 0.3225851), wk = 0.0035336 k( 208) = ( 0.5000000 0.1302425 0.3225851), wk = 0.0035336 k( 209) = ( 0.5000000 0.1172182 0.3225851), wk = 0.0035336 k( 210) = ( 0.5000000 0.1041940 0.3225851), wk = 0.0035336 k( 211) = ( 0.5000000 0.0911697 0.3225851), wk = 0.0035336 k( 212) = ( 0.5000000 0.0781455 0.3225851), wk = 0.0035336 k( 213) = ( 0.5000000 0.0651212 0.3225851), wk = 0.0035336 k( 214) = ( 0.5000000 0.0520970 0.3225851), wk = 0.0035336 k( 215) = ( 0.5000000 0.0390727 0.3225851), wk = 0.0035336 k( 216) = ( 0.5000000 0.0260485 0.3225851), wk = 0.0035336 k( 217) = ( 0.5000000 0.0130242 0.3225851), wk = 0.0035336 k( 218) = ( 0.5000000 -0.0000000 0.3225851), wk = 0.0035336 k( 219) = ( 0.5000000 -0.0000000 0.3225851), wk = 0.0035336 k( 220) = ( 0.5000000 -0.0000000 0.3096817), wk = 0.0035336 k( 221) = ( 0.5000000 -0.0000000 0.2967783), wk = 0.0035336 k( 222) = ( 0.5000000 -0.0000000 0.2838749), wk = 0.0035336 k( 223) = ( 0.5000000 -0.0000000 0.2709715), wk = 0.0035336 k( 224) = ( 0.5000000 -0.0000000 0.2580681), wk = 0.0035336 k( 225) = ( 0.5000000 -0.0000000 0.2451647), wk = 0.0035336 k( 226) = ( 0.5000000 -0.0000000 0.2322613), wk = 0.0035336 k( 227) = ( 0.5000000 -0.0000000 0.2193579), wk = 0.0035336 k( 228) = ( 0.5000000 -0.0000000 0.2064545), wk = 0.0035336 k( 229) = ( 0.5000000 -0.0000000 0.1935511), wk = 0.0035336 k( 230) = ( 0.5000000 -0.0000000 0.1806477), wk = 0.0035336 k( 231) = ( 0.5000000 -0.0000000 0.1677442), wk = 0.0035336 k( 232) = ( 0.5000000 -0.0000000 0.1548408), wk = 0.0035336 k( 233) = ( 0.5000000 -0.0000000 0.1419374), wk = 0.0035336 k( 234) = ( 0.5000000 -0.0000000 0.1290340), wk = 0.0035336 k( 235) = ( 0.5000000 -0.0000000 0.1161306), wk = 0.0035336 k( 236) = ( 0.5000000 -0.0000000 0.1032272), wk = 0.0035336 k( 237) = ( 0.5000000 -0.0000000 0.0903238), wk = 0.0035336 k( 238) = ( 0.5000000 -0.0000000 0.0774204), wk = 0.0035336 k( 239) = ( 0.5000000 -0.0000000 0.0645170), wk = 0.0035336 k( 240) = ( 0.5000000 -0.0000000 0.0516136), wk = 0.0035336 k( 241) = ( 0.5000000 -0.0000000 0.0387102), wk = 0.0035336 k( 242) = ( 0.5000000 -0.0000000 0.0258068), wk = 0.0035336 k( 243) = ( 0.5000000 -0.0000000 0.0129034), wk = 0.0035336 k( 244) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0035336 k( 245) = ( 0.0000000 0.0000000 0.3225851), wk = 0.0035336 k( 246) = ( 0.0131579 -0.0000000 0.3225851), wk = 0.0035336 k( 247) = ( 0.0263158 -0.0000000 0.3225851), wk = 0.0035336 k( 248) = ( 0.0394737 -0.0000000 0.3225851), wk = 0.0035336 k( 249) = ( 0.0526316 -0.0000000 0.3225851), wk = 0.0035336 k( 250) = ( 0.0657895 -0.0000000 0.3225851), wk = 0.0035336 k( 251) = ( 0.0789474 -0.0000000 0.3225851), wk = 0.0035336 k( 252) = ( 0.0921053 -0.0000000 0.3225851), wk = 0.0035336 k( 253) = ( 0.1052632 -0.0000000 0.3225851), wk = 0.0035336 k( 254) = ( 0.1184210 -0.0000000 0.3225851), wk = 0.0035336 k( 255) = ( 0.1315790 -0.0000000 0.3225851), wk = 0.0035336 k( 256) = ( 0.1447368 -0.0000000 0.3225851), wk = 0.0035336 k( 257) = ( 0.1578947 -0.0000000 0.3225851), wk = 0.0035336 k( 258) = ( 0.1710526 -0.0000000 0.3225851), wk = 0.0035336 k( 259) = ( 0.1842105 -0.0000000 0.3225851), wk = 0.0035336 k( 260) = ( 0.1973684 -0.0000000 0.3225851), wk = 0.0035336 k( 261) = ( 0.2105263 -0.0000000 0.3225851), wk = 0.0035336 k( 262) = ( 0.2236842 -0.0000000 0.3225851), wk = 0.0035336 k( 263) = ( 0.2368421 -0.0000000 0.3225851), wk = 0.0035336 k( 264) = ( 0.2500000 -0.0000000 0.3225851), wk = 0.0035336 k( 265) = ( 0.2631579 -0.0000000 0.3225851), wk = 0.0035336 k( 266) = ( 0.2763158 -0.0000000 0.3225851), wk = 0.0035336 k( 267) = ( 0.2894737 -0.0000000 0.3225851), wk = 0.0035336 k( 268) = ( 0.3026316 -0.0000000 0.3225851), wk = 0.0035336 k( 269) = ( 0.3157895 -0.0000000 0.3225851), wk = 0.0035336 k( 270) = ( 0.3289474 -0.0000000 0.3225851), wk = 0.0035336 k( 271) = ( 0.3421053 -0.0000000 0.3225851), wk = 0.0035336 k( 272) = ( 0.3552632 -0.0000000 0.3225851), wk = 0.0035336 k( 273) = ( 0.3684211 -0.0000000 0.3225851), wk = 0.0035336 k( 274) = ( 0.3815789 -0.0000000 0.3225851), wk = 0.0035336 k( 275) = ( 0.3947368 -0.0000000 0.3225851), wk = 0.0035336 k( 276) = ( 0.4078947 -0.0000000 0.3225851), wk = 0.0035336 k( 277) = ( 0.4210526 -0.0000000 0.3225851), wk = 0.0035336 k( 278) = ( 0.4342105 -0.0000000 0.3225851), wk = 0.0035336 k( 279) = ( 0.4473684 -0.0000000 0.3225851), wk = 0.0035336 k( 280) = ( 0.4605263 -0.0000000 0.3225851), wk = 0.0035336 k( 281) = ( 0.4736842 -0.0000000 0.3225851), wk = 0.0035336 k( 282) = ( 0.4868421 -0.0000000 0.3225851), wk = 0.0035336 k( 283) = ( 0.5000000 -0.0000000 0.3225851), wk = 0.0035336 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035336 k( 2) = ( 0.0000000 0.0000000 0.0200000), wk = 0.0035336 k( 3) = ( 0.0000000 0.0000000 0.0400000), wk = 0.0035336 k( 4) = ( 0.0000000 0.0000000 0.0600000), wk = 0.0035336 k( 5) = ( 0.0000000 0.0000000 0.0800000), wk = 0.0035336 k( 6) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0035336 k( 7) = ( 0.0000000 0.0000000 0.1200000), wk = 0.0035336 k( 8) = ( 0.0000000 0.0000000 0.1400000), wk = 0.0035336 k( 9) = ( 0.0000000 0.0000000 0.1600000), wk = 0.0035336 k( 10) = ( 0.0000000 0.0000000 0.1800000), wk = 0.0035336 k( 11) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0035336 k( 12) = ( 0.0000000 0.0000000 0.2200000), wk = 0.0035336 k( 13) = ( 0.0000000 0.0000000 0.2400000), wk = 0.0035336 k( 14) = ( 0.0000000 0.0000000 0.2600000), wk = 0.0035336 k( 15) = ( 0.0000000 0.0000000 0.2800000), wk = 0.0035336 k( 16) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0035336 k( 17) = ( 0.0000000 0.0000000 0.3200000), wk = 0.0035336 k( 18) = ( 0.0000000 0.0000000 0.3400000), wk = 0.0035336 k( 19) = ( 0.0000000 0.0000000 0.3600000), wk = 0.0035336 k( 20) = ( 0.0000000 0.0000000 0.3800000), wk = 0.0035336 k( 21) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0035336 k( 22) = ( 0.0000000 0.0000000 0.4200000), wk = 0.0035336 k( 23) = ( 0.0000000 0.0000000 0.4400000), wk = 0.0035336 k( 24) = ( 0.0000000 0.0000000 0.4600000), wk = 0.0035336 k( 25) = ( 0.0000000 0.0000000 0.4800000), wk = 0.0035336 k( 26) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035336 k( 27) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035336 k( 28) = ( 0.0000000 0.0157653 0.5066392), wk = 0.0035336 k( 29) = ( 0.0000000 0.0315305 0.5132784), wk = 0.0035336 k( 30) = ( 0.0000000 0.0472958 0.5199176), wk = 0.0035336 k( 31) = ( 0.0000000 0.0630610 0.5265568), wk = 0.0035336 k( 32) = ( 0.0000000 0.0788263 0.5331960), wk = 0.0035336 k( 33) = ( 0.0000000 0.0945915 0.5398352), wk = 0.0035336 k( 34) = ( 0.0000000 0.1103568 0.5464744), wk = 0.0035336 k( 35) = ( 0.0000000 0.1261220 0.5531136), wk = 0.0035336 k( 36) = ( 0.0000000 0.1418873 0.5597528), wk = 0.0035336 k( 37) = ( 0.0000000 0.1576525 0.5663920), wk = 0.0035336 k( 38) = ( 0.0000000 0.1734178 0.5730312), wk = 0.0035336 k( 39) = ( 0.0000000 0.1891830 0.5796704), wk = 0.0035336 k( 40) = ( 0.0000000 0.2049483 0.5863096), wk = 0.0035336 k( 41) = ( 0.0000000 0.2207135 0.5929488), wk = 0.0035336 k( 42) = ( 0.0000000 0.2364788 0.5995880), wk = 0.0035336 k( 43) = ( 0.0000000 0.2522440 0.6062272), wk = 0.0035336 k( 44) = ( 0.0000000 0.2680093 0.6128664), wk = 0.0035336 k( 45) = ( 0.0000000 0.2837745 0.6195056), wk = 0.0035336 k( 46) = ( 0.0000000 0.2995398 0.6261448), wk = 0.0035336 k( 47) = ( 0.0000000 0.3153050 0.6327840), wk = 0.0035336 k( 48) = ( 0.0000000 0.3310703 0.6394232), wk = 0.0035336 k( 49) = ( 0.0000000 0.3468355 0.6460624), wk = 0.0035336 k( 50) = ( 0.0000000 0.3626008 0.6527016), wk = 0.0035336 k( 51) = ( 0.0000000 0.3783661 0.6593408), wk = 0.0035336 k( 52) = ( 0.0000000 0.3941313 0.6659800), wk = 0.0035336 k( 53) = ( 0.0000000 0.4098966 0.6726192), wk = 0.0035336 k( 54) = ( 0.0000000 0.4256618 0.6792584), wk = 0.0035336 k( 55) = ( 0.0000000 0.4256618 0.6792584), wk = 0.0035336 k( 56) = ( 0.0000000 0.4318567 0.6643202), wk = 0.0035336 k( 57) = ( 0.0000000 0.4380515 0.6493820), wk = 0.0035336 k( 58) = ( 0.0000000 0.4442464 0.6344438), wk = 0.0035336 k( 59) = ( 0.0000000 0.4504412 0.6195056), wk = 0.0035336 k( 60) = ( 0.0000000 0.4566361 0.6045674), wk = 0.0035336 k( 61) = ( 0.0000000 0.4628309 0.5896292), wk = 0.0035336 k( 62) = ( 0.0000000 0.4690258 0.5746910), wk = 0.0035336 k( 63) = ( 0.0000000 0.4752206 0.5597528), wk = 0.0035336 k( 64) = ( 0.0000000 0.4814155 0.5448146), wk = 0.0035336 k( 65) = ( 0.0000000 0.4876103 0.5298764), wk = 0.0035336 k( 66) = ( 0.0000000 0.4938052 0.5149382), wk = 0.0035336 k( 67) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0035336 k( 68) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0035336 k( 69) = ( 0.0131579 0.5000000 0.5000000), wk = 0.0035336 k( 70) = ( 0.0263158 0.5000000 0.5000000), wk = 0.0035336 k( 71) = ( 0.0394737 0.5000000 0.5000000), wk = 0.0035336 k( 72) = ( 0.0526316 0.5000000 0.5000000), wk = 0.0035336 k( 73) = ( 0.0657895 0.5000000 0.5000000), wk = 0.0035336 k( 74) = ( 0.0789474 0.5000000 0.5000000), wk = 0.0035336 k( 75) = ( 0.0921053 0.5000000 0.5000000), wk = 0.0035336 k( 76) = ( 0.1052632 0.5000000 0.5000000), wk = 0.0035336 k( 77) = ( 0.1184210 0.5000000 0.5000000), wk = 0.0035336 k( 78) = ( 0.1315790 0.5000000 0.5000000), wk = 0.0035336 k( 79) = ( 0.1447368 0.5000000 0.5000000), wk = 0.0035336 k( 80) = ( 0.1578947 0.5000000 0.5000000), wk = 0.0035336 k( 81) = ( 0.1710526 0.5000000 0.5000000), wk = 0.0035336 k( 82) = ( 0.1842105 0.5000000 0.5000000), wk = 0.0035336 k( 83) = ( 0.1973684 0.5000000 0.5000000), wk = 0.0035336 k( 84) = ( 0.2105263 0.5000000 0.5000000), wk = 0.0035336 k( 85) = ( 0.2236842 0.5000000 0.5000000), wk = 0.0035336 k( 86) = ( 0.2368421 0.5000000 0.5000000), wk = 0.0035336 k( 87) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0035336 k( 88) = ( 0.2631579 0.5000000 0.5000000), wk = 0.0035336 k( 89) = ( 0.2763158 0.5000000 0.5000000), wk = 0.0035336 k( 90) = ( 0.2894737 0.5000000 0.5000000), wk = 0.0035336 k( 91) = ( 0.3026316 0.5000000 0.5000000), wk = 0.0035336 k( 92) = ( 0.3157895 0.5000000 0.5000000), wk = 0.0035336 k( 93) = ( 0.3289474 0.5000000 0.5000000), wk = 0.0035336 k( 94) = ( 0.3421053 0.5000000 0.5000000), wk = 0.0035336 k( 95) = ( 0.3552632 0.5000000 0.5000000), wk = 0.0035336 k( 96) = ( 0.3684211 0.5000000 0.5000000), wk = 0.0035336 k( 97) = ( 0.3815789 0.5000000 0.5000000), wk = 0.0035336 k( 98) = ( 0.3947368 0.5000000 0.5000000), wk = 0.0035336 k( 99) = ( 0.4078947 0.5000000 0.5000000), wk = 0.0035336 k( 100) = ( 0.4210526 0.5000000 0.5000000), wk = 0.0035336 k( 101) = ( 0.4342105 0.5000000 0.5000000), wk = 0.0035336 k( 102) = ( 0.4473684 0.5000000 0.5000000), wk = 0.0035336 k( 103) = ( 0.4605263 0.5000000 0.5000000), wk = 0.0035336 k( 104) = ( 0.4736842 0.5000000 0.5000000), wk = 0.0035336 k( 105) = ( 0.4868421 0.5000000 0.5000000), wk = 0.0035336 k( 106) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035336 k( 107) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035336 k( 108) = ( 0.5000000 0.5061948 0.4850618), wk = 0.0035336 k( 109) = ( 0.5000000 0.5123897 0.4701236), wk = 0.0035336 k( 110) = ( 0.5000000 0.5185846 0.4551854), wk = 0.0035336 k( 111) = ( 0.5000000 0.5247794 0.4402472), wk = 0.0035336 k( 112) = ( 0.5000000 0.5309742 0.4253090), wk = 0.0035336 k( 113) = ( 0.5000000 0.5371691 0.4103708), wk = 0.0035336 k( 114) = ( 0.5000000 0.5433640 0.3954326), wk = 0.0035336 k( 115) = ( 0.5000000 0.5495588 0.3804944), wk = 0.0035336 k( 116) = ( 0.5000000 0.5557537 0.3655562), wk = 0.0035336 k( 117) = ( 0.5000000 0.5619485 0.3506180), wk = 0.0035336 k( 118) = ( 0.5000000 0.5681434 0.3356798), wk = 0.0035336 k( 119) = ( 0.5000000 0.5743382 0.3207416), wk = 0.0035336 k( 120) = ( 0.5000000 0.5743382 0.3207416), wk = 0.0035336 k( 121) = ( 0.5000000 0.5693823 0.2993588), wk = 0.0035336 k( 122) = ( 0.5000000 0.5644264 0.2779761), wk = 0.0035336 k( 123) = ( 0.5000000 0.5594706 0.2565933), wk = 0.0035336 k( 124) = ( 0.5000000 0.5545147 0.2352105), wk = 0.0035336 k( 125) = ( 0.5000000 0.5495588 0.2138277), wk = 0.0035336 k( 126) = ( 0.5000000 0.5446029 0.1924450), wk = 0.0035336 k( 127) = ( 0.5000000 0.5396470 0.1710622), wk = 0.0035336 k( 128) = ( 0.5000000 0.5346912 0.1496794), wk = 0.0035336 k( 129) = ( 0.5000000 0.5297353 0.1282966), wk = 0.0035336 k( 130) = ( 0.5000000 0.5247794 0.1069139), wk = 0.0035336 k( 131) = ( 0.5000000 0.5198235 0.0855311), wk = 0.0035336 k( 132) = ( 0.5000000 0.5148676 0.0641483), wk = 0.0035336 k( 133) = ( 0.5000000 0.5099118 0.0427656), wk = 0.0035336 k( 134) = ( 0.5000000 0.5049559 0.0213828), wk = 0.0035336 k( 135) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0035336 k( 136) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0035336 k( 137) = ( 0.4868421 0.5000000 -0.0000000), wk = 0.0035336 k( 138) = ( 0.4736842 0.5000000 -0.0000000), wk = 0.0035336 k( 139) = ( 0.4605263 0.5000000 -0.0000000), wk = 0.0035336 k( 140) = ( 0.4473684 0.5000000 -0.0000000), wk = 0.0035336 k( 141) = ( 0.4342105 0.5000000 -0.0000000), wk = 0.0035336 k( 142) = ( 0.4210526 0.5000000 -0.0000000), wk = 0.0035336 k( 143) = ( 0.4078947 0.5000000 -0.0000000), wk = 0.0035336 k( 144) = ( 0.3947368 0.5000000 -0.0000000), wk = 0.0035336 k( 145) = ( 0.3815789 0.5000000 -0.0000000), wk = 0.0035336 k( 146) = ( 0.3684211 0.5000000 -0.0000000), wk = 0.0035336 k( 147) = ( 0.3552632 0.5000000 -0.0000000), wk = 0.0035336 k( 148) = ( 0.3421053 0.5000000 -0.0000000), wk = 0.0035336 k( 149) = ( 0.3289474 0.5000000 -0.0000000), wk = 0.0035336 k( 150) = ( 0.3157895 0.5000000 -0.0000000), wk = 0.0035336 k( 151) = ( 0.3026316 0.5000000 -0.0000000), wk = 0.0035336 k( 152) = ( 0.2894737 0.5000000 -0.0000000), wk = 0.0035336 k( 153) = ( 0.2763158 0.5000000 -0.0000000), wk = 0.0035336 k( 154) = ( 0.2631579 0.5000000 -0.0000000), wk = 0.0035336 k( 155) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0035336 k( 156) = ( 0.2368421 0.5000000 -0.0000000), wk = 0.0035336 k( 157) = ( 0.2236842 0.5000000 -0.0000000), wk = 0.0035336 k( 158) = ( 0.2105263 0.5000000 -0.0000000), wk = 0.0035336 k( 159) = ( 0.1973684 0.5000000 -0.0000000), wk = 0.0035336 k( 160) = ( 0.1842105 0.5000000 0.0000000), wk = 0.0035336 k( 161) = ( 0.1710526 0.5000000 0.0000000), wk = 0.0035336 k( 162) = ( 0.1578947 0.5000000 0.0000000), wk = 0.0035336 k( 163) = ( 0.1447368 0.5000000 0.0000000), wk = 0.0035336 k( 164) = ( 0.1315790 0.5000000 0.0000000), wk = 0.0035336 k( 165) = ( 0.1184210 0.5000000 0.0000000), wk = 0.0035336 k( 166) = ( 0.1052632 0.5000000 0.0000000), wk = 0.0035336 k( 167) = ( 0.0921053 0.5000000 0.0000000), wk = 0.0035336 k( 168) = ( 0.0789474 0.5000000 -0.0000000), wk = 0.0035336 k( 169) = ( 0.0657895 0.5000000 -0.0000000), wk = 0.0035336 k( 170) = ( 0.0526316 0.5000000 -0.0000000), wk = 0.0035336 k( 171) = ( 0.0394737 0.5000000 -0.0000000), wk = 0.0035336 k( 172) = ( 0.0263158 0.5000000 -0.0000000), wk = 0.0035336 k( 173) = ( 0.0131579 0.5000000 -0.0000000), wk = 0.0035336 k( 174) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0035336 k( 175) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0035336 k( 176) = ( 0.0000000 0.5049559 0.0213828), wk = 0.0035336 k( 177) = ( 0.0000000 0.5099118 0.0427656), wk = 0.0035336 k( 178) = ( 0.0000000 0.5148676 0.0641483), wk = 0.0035336 k( 179) = ( 0.0000000 0.5198235 0.0855311), wk = 0.0035336 k( 180) = ( 0.0000000 0.5247794 0.1069139), wk = 0.0035336 k( 181) = ( 0.0000000 0.5297353 0.1282966), wk = 0.0035336 k( 182) = ( 0.0000000 0.5346912 0.1496794), wk = 0.0035336 k( 183) = ( 0.0000000 0.5396470 0.1710622), wk = 0.0035336 k( 184) = ( 0.0000000 0.5446029 0.1924450), wk = 0.0035336 k( 185) = ( 0.0000000 0.5495588 0.2138277), wk = 0.0035336 k( 186) = ( 0.0000000 0.5545147 0.2352105), wk = 0.0035336 k( 187) = ( 0.0000000 0.5594706 0.2565933), wk = 0.0035336 k( 188) = ( 0.0000000 0.5644264 0.2779761), wk = 0.0035336 k( 189) = ( 0.0000000 0.5693823 0.2993588), wk = 0.0035336 k( 190) = ( 0.0000000 0.5743382 0.3207416), wk = 0.0035336 k( 191) = ( 0.5000000 0.4256618 0.6792584), wk = 0.0035336 k( 192) = ( 0.5000000 0.4098966 0.6726192), wk = 0.0035336 k( 193) = ( 0.5000000 0.3941313 0.6659800), wk = 0.0035336 k( 194) = ( 0.5000000 0.3783661 0.6593408), wk = 0.0035336 k( 195) = ( 0.5000000 0.3626008 0.6527016), wk = 0.0035336 k( 196) = ( 0.5000000 0.3468355 0.6460624), wk = 0.0035336 k( 197) = ( 0.5000000 0.3310703 0.6394232), wk = 0.0035336 k( 198) = ( 0.5000000 0.3153050 0.6327840), wk = 0.0035336 k( 199) = ( 0.5000000 0.2995398 0.6261448), wk = 0.0035336 k( 200) = ( 0.5000000 0.2837745 0.6195056), wk = 0.0035336 k( 201) = ( 0.5000000 0.2680093 0.6128664), wk = 0.0035336 k( 202) = ( 0.5000000 0.2522440 0.6062272), wk = 0.0035336 k( 203) = ( 0.5000000 0.2364788 0.5995880), wk = 0.0035336 k( 204) = ( 0.5000000 0.2207135 0.5929488), wk = 0.0035336 k( 205) = ( 0.5000000 0.2049483 0.5863096), wk = 0.0035336 k( 206) = ( 0.5000000 0.1891830 0.5796704), wk = 0.0035336 k( 207) = ( 0.5000000 0.1734178 0.5730312), wk = 0.0035336 k( 208) = ( 0.5000000 0.1576525 0.5663920), wk = 0.0035336 k( 209) = ( 0.5000000 0.1418873 0.5597528), wk = 0.0035336 k( 210) = ( 0.5000000 0.1261220 0.5531136), wk = 0.0035336 k( 211) = ( 0.5000000 0.1103568 0.5464744), wk = 0.0035336 k( 212) = ( 0.5000000 0.0945915 0.5398352), wk = 0.0035336 k( 213) = ( 0.5000000 0.0788263 0.5331960), wk = 0.0035336 k( 214) = ( 0.5000000 0.0630610 0.5265568), wk = 0.0035336 k( 215) = ( 0.5000000 0.0472958 0.5199176), wk = 0.0035336 k( 216) = ( 0.5000000 0.0315305 0.5132784), wk = 0.0035336 k( 217) = ( 0.5000000 0.0157652 0.5066392), wk = 0.0035336 k( 218) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0035336 k( 219) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0035336 k( 220) = ( 0.5000000 0.0000000 0.4800000), wk = 0.0035336 k( 221) = ( 0.5000000 0.0000000 0.4600000), wk = 0.0035336 k( 222) = ( 0.5000000 0.0000000 0.4400000), wk = 0.0035336 k( 223) = ( 0.5000000 0.0000000 0.4200000), wk = 0.0035336 k( 224) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0035336 k( 225) = ( 0.5000000 0.0000000 0.3800000), wk = 0.0035336 k( 226) = ( 0.5000000 0.0000000 0.3600000), wk = 0.0035336 k( 227) = ( 0.5000000 0.0000000 0.3400000), wk = 0.0035336 k( 228) = ( 0.5000000 0.0000000 0.3200000), wk = 0.0035336 k( 229) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0035336 k( 230) = ( 0.5000000 0.0000000 0.2800000), wk = 0.0035336 k( 231) = ( 0.5000000 0.0000000 0.2600000), wk = 0.0035336 k( 232) = ( 0.5000000 0.0000000 0.2400000), wk = 0.0035336 k( 233) = ( 0.5000000 0.0000000 0.2200000), wk = 0.0035336 k( 234) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0035336 k( 235) = ( 0.5000000 0.0000000 0.1800000), wk = 0.0035336 k( 236) = ( 0.5000000 0.0000000 0.1600000), wk = 0.0035336 k( 237) = ( 0.5000000 0.0000000 0.1400000), wk = 0.0035336 k( 238) = ( 0.5000000 0.0000000 0.1200000), wk = 0.0035336 k( 239) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0035336 k( 240) = ( 0.5000000 0.0000000 0.0800000), wk = 0.0035336 k( 241) = ( 0.5000000 0.0000000 0.0600000), wk = 0.0035336 k( 242) = ( 0.5000000 0.0000000 0.0400000), wk = 0.0035336 k( 243) = ( 0.5000000 0.0000000 0.0200000), wk = 0.0035336 k( 244) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0035336 k( 245) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035336 k( 246) = ( 0.0131579 0.0000000 0.5000000), wk = 0.0035336 k( 247) = ( 0.0263158 0.0000000 0.5000000), wk = 0.0035336 k( 248) = ( 0.0394737 0.0000000 0.5000000), wk = 0.0035336 k( 249) = ( 0.0526316 0.0000000 0.5000000), wk = 0.0035336 k( 250) = ( 0.0657895 0.0000000 0.5000000), wk = 0.0035336 k( 251) = ( 0.0789474 0.0000000 0.5000000), wk = 0.0035336 k( 252) = ( 0.0921053 -0.0000000 0.5000000), wk = 0.0035336 k( 253) = ( 0.1052632 0.0000000 0.5000000), wk = 0.0035336 k( 254) = ( 0.1184210 0.0000000 0.5000000), wk = 0.0035336 k( 255) = ( 0.1315790 -0.0000000 0.5000000), wk = 0.0035336 k( 256) = ( 0.1447368 -0.0000000 0.5000000), wk = 0.0035336 k( 257) = ( 0.1578947 0.0000000 0.5000000), wk = 0.0035336 k( 258) = ( 0.1710526 -0.0000000 0.5000000), wk = 0.0035336 k( 259) = ( 0.1842105 0.0000000 0.5000000), wk = 0.0035336 k( 260) = ( 0.1973684 -0.0000000 0.5000000), wk = 0.0035336 k( 261) = ( 0.2105263 0.0000000 0.5000000), wk = 0.0035336 k( 262) = ( 0.2236842 -0.0000000 0.5000000), wk = 0.0035336 k( 263) = ( 0.2368421 0.0000000 0.5000000), wk = 0.0035336 k( 264) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0035336 k( 265) = ( 0.2631579 -0.0000000 0.5000000), wk = 0.0035336 k( 266) = ( 0.2763158 -0.0000000 0.5000000), wk = 0.0035336 k( 267) = ( 0.2894737 -0.0000000 0.5000000), wk = 0.0035336 k( 268) = ( 0.3026316 -0.0000000 0.5000000), wk = 0.0035336 k( 269) = ( 0.3157895 -0.0000000 0.5000000), wk = 0.0035336 k( 270) = ( 0.3289474 -0.0000000 0.5000000), wk = 0.0035336 k( 271) = ( 0.3421053 -0.0000000 0.5000000), wk = 0.0035336 k( 272) = ( 0.3552632 -0.0000000 0.5000000), wk = 0.0035336 k( 273) = ( 0.3684211 0.0000000 0.5000000), wk = 0.0035336 k( 274) = ( 0.3815789 -0.0000000 0.5000000), wk = 0.0035336 k( 275) = ( 0.3947368 -0.0000000 0.5000000), wk = 0.0035336 k( 276) = ( 0.4078947 -0.0000000 0.5000000), wk = 0.0035336 k( 277) = ( 0.4210526 0.0000000 0.5000000), wk = 0.0035336 k( 278) = ( 0.4342105 0.0000000 0.5000000), wk = 0.0035336 k( 279) = ( 0.4473684 -0.0000000 0.5000000), wk = 0.0035336 k( 280) = ( 0.4605263 -0.0000000 0.5000000), wk = 0.0035336 k( 281) = ( 0.4736842 0.0000000 0.5000000), wk = 0.0035336 k( 282) = ( 0.4868421 -0.0000000 0.5000000), wk = 0.0035336 k( 283) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0035336 Dense grid: 90251 G-vectors FFT dimensions: ( 45, 60, 75) Smooth grid: 43175 G-vectors FFT dimensions: ( 36, 45, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.23 Mb ( 320, 48) NL pseudopotentials 0.32 Mb ( 160, 132) Each V/rho on FFT grid 0.12 Mb ( 8100) Each G-vector array 0.02 Mb ( 2509) G-vector shells 0.02 Mb ( 2475) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.94 Mb ( 320, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.19 Mb ( 132, 2, 48) Check: negative/imaginary core charge= -0.000005 0.000000 The potential is recalculated from file : ./H2CClF.save/charge-density.dat Starting wfc are 56 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.1 secs Computing kpt #: 2 total cpu time spent up to now is 3.6 secs Computing kpt #: 3 total cpu time spent up to now is 4.2 secs Computing kpt #: 4 total cpu time spent up to now is 4.8 secs Computing kpt #: 5 total cpu time spent up to now is 5.4 secs Computing kpt #: 6 total cpu time spent up to now is 6.0 secs Computing kpt #: 7 total cpu time spent up to now is 6.6 secs Computing kpt #: 8 total cpu time spent up to now is 7.1 secs Computing kpt #: 9 total cpu time spent up to now is 7.7 secs Computing kpt #: 10 total cpu time spent up to now is 8.2 secs Computing kpt #: 11 total cpu time spent up to now is 8.8 secs Computing kpt #: 12 total cpu time spent up to now is 9.3 secs Computing kpt #: 13 total cpu time spent up to now is 9.8 secs Computing kpt #: 14 total cpu time spent up to now is 10.4 secs Computing kpt #: 15 total cpu time spent up to now is 11.2 secs Computing kpt #: 16 total cpu time spent up to now is 11.7 secs Computing kpt #: 17 total cpu time spent up to now is 12.3 secs Computing kpt #: 18 total cpu time spent up to now is 12.8 secs Computing kpt #: 19 total cpu time spent up to now is 13.3 secs Computing kpt #: 20 total cpu time spent up to now is 13.8 secs Computing kpt #: 21 total cpu time spent up to now is 14.3 secs Computing kpt #: 22 total cpu time spent up to now is 14.8 secs Computing kpt #: 23 total cpu time spent up to now is 15.3 secs Computing kpt #: 24 total cpu time spent up to now is 15.8 secs Computing kpt #: 25 total cpu time spent up to now is 16.3 secs Computing kpt #: 26 total cpu time spent up to now is 16.8 secs Computing kpt #: 27 total cpu time spent up to now is 17.3 secs Computing kpt #: 28 total cpu time spent up to now is 17.8 secs Computing kpt #: 29 total cpu time spent up to now is 18.3 secs Computing kpt #: 30 total cpu time spent up to now is 18.8 secs Computing kpt #: 31 total cpu time spent up to now is 19.3 secs Computing kpt #: 32 total cpu time spent up to now is 19.8 secs Computing kpt #: 33 total cpu time spent up to now is 20.3 secs Computing kpt #: 34 total cpu time spent up to now is 20.8 secs Computing kpt #: 35 total cpu time spent up to now is 21.3 secs Computing kpt #: 36 total cpu time spent up to now is 21.8 secs Computing kpt #: 37 total cpu time spent up to now is 22.3 secs Computing kpt #: 38 total cpu time spent up to now is 22.8 secs Computing kpt #: 39 total cpu time spent up to now is 23.3 secs Computing kpt #: 40 total cpu time spent up to now is 23.8 secs Computing kpt #: 41 total cpu time spent up to now is 24.3 secs Computing kpt #: 42 total cpu time spent up to now is 24.8 secs Computing kpt #: 43 total cpu time spent up to now is 25.3 secs Computing kpt #: 44 total cpu time spent up to now is 25.9 secs Computing kpt #: 45 total cpu time spent up to now is 26.4 secs Computing kpt #: 46 total cpu time spent up to now is 27.0 secs Computing kpt #: 47 total cpu time spent up to now is 27.5 secs Computing kpt #: 48 total cpu time spent up to now is 28.0 secs Computing kpt #: 49 total cpu time spent up to now is 28.5 secs Computing kpt #: 50 total cpu time spent up to now is 29.1 secs Computing kpt #: 51 total cpu time spent up to now is 29.6 secs Computing kpt #: 52 total cpu time spent up to now is 30.1 secs Computing kpt #: 53 total cpu time spent up to now is 30.6 secs Computing kpt #: 54 total cpu time spent up to now is 31.1 secs Computing kpt #: 55 total cpu time spent up to now is 31.6 secs Computing kpt #: 56 total cpu time spent up to now is 32.2 secs Computing kpt #: 57 total cpu time spent up to now is 32.8 secs Computing kpt #: 58 total cpu time spent up to now is 33.3 secs Computing kpt #: 59 total cpu time spent up to now is 33.8 secs Computing kpt #: 60 total cpu time spent up to now is 34.3 secs Computing kpt #: 61 total cpu time spent up to now is 34.8 secs Computing kpt #: 62 total cpu time spent up to now is 35.3 secs Computing kpt #: 63 total cpu time spent up to now is 35.8 secs Computing kpt #: 64 total cpu time spent up to now is 36.3 secs Computing kpt #: 65 total cpu time spent up to now is 36.9 secs Computing kpt #: 66 total cpu time spent up to now is 37.4 secs Computing kpt #: 67 total cpu time spent up to now is 38.0 secs Computing kpt #: 68 total cpu time spent up to now is 38.5 secs Computing kpt #: 69 total cpu time spent up to now is 39.1 secs Computing kpt #: 70 total cpu time spent up to now is 39.6 secs Computing kpt #: 71 total cpu time spent up to now is 40.2 secs Computing kpt #: 72 total cpu time spent up to now is 40.7 secs Computing kpt #: 73 total cpu time spent up to now is 41.2 secs Computing kpt #: 74 total cpu time spent up to now is 41.7 secs Computing kpt #: 75 total cpu time spent up to now is 42.3 secs Computing kpt #: 76 total cpu time spent up to now is 42.8 secs Computing kpt #: 77 total cpu time spent up to now is 43.3 secs Computing kpt #: 78 total cpu time spent up to now is 43.8 secs Computing kpt #: 79 total cpu time spent up to now is 44.4 secs Computing kpt #: 80 total cpu time spent up to now is 44.9 secs Computing kpt #: 81 total cpu time spent up to now is 45.4 secs Computing kpt #: 82 total cpu time spent up to now is 45.9 secs Computing kpt #: 83 total cpu time spent up to now is 46.5 secs Computing kpt #: 84 total cpu time spent up to now is 47.0 secs Computing kpt #: 85 total cpu time spent up to now is 47.5 secs Computing kpt #: 86 total cpu time spent up to now is 48.0 secs Computing kpt #: 87 total cpu time spent up to now is 48.5 secs Computing kpt #: 88 total cpu time spent up to now is 49.0 secs Computing kpt #: 89 total cpu time spent up to now is 49.5 secs Computing kpt #: 90 total cpu time spent up to now is 50.0 secs Computing kpt #: 91 total cpu time spent up to now is 50.5 secs Computing kpt #: 92 total cpu time spent up to now is 51.0 secs Computing kpt #: 93 total cpu time spent up to now is 51.5 secs Computing kpt #: 94 total cpu time spent up to now is 52.0 secs Computing kpt #: 95 total cpu time spent up to now is 52.5 secs Computing kpt #: 96 total cpu time spent up to now is 53.0 secs Computing kpt #: 97 total cpu time spent up to now is 53.5 secs Computing kpt #: 98 total cpu time spent up to now is 54.0 secs Computing kpt #: 99 total cpu time spent up to now is 54.5 secs Computing kpt #: 100 total cpu time spent up to now is 55.0 secs Computing kpt #: 101 total cpu time spent up to now is 55.5 secs Computing kpt #: 102 total cpu time spent up to now is 56.0 secs Computing kpt #: 103 total cpu time spent up to now is 56.5 secs Computing kpt #: 104 total cpu time spent up to now is 57.0 secs Computing kpt #: 105 total cpu time spent up to now is 57.5 secs Computing kpt #: 106 total cpu time spent up to now is 58.0 secs Computing kpt #: 107 total cpu time spent up to now is 58.5 secs Computing kpt #: 108 total cpu time spent up to now is 59.0 secs Computing kpt #: 109 total cpu time spent up to now is 59.5 secs Computing kpt #: 110 total cpu time spent up to now is 59.9 secs Computing kpt #: 111 total cpu time spent up to now is 60.4 secs Computing kpt #: 112 total cpu time spent up to now is 60.9 secs Computing kpt #: 113 total cpu time spent up to now is 61.4 secs Computing kpt #: 114 total cpu time spent up to now is 61.9 secs Computing kpt #: 115 total cpu time spent up to now is 62.4 secs Computing kpt #: 116 total cpu time spent up to now is 62.9 secs Computing kpt #: 117 total cpu time spent up to now is 63.4 secs Computing kpt #: 118 total cpu time spent up to now is 63.9 secs Computing kpt #: 119 total cpu time spent up to now is 64.3 secs Computing kpt #: 120 total cpu time spent up to now is 64.8 secs Computing kpt #: 121 total cpu time spent up to now is 65.3 secs Computing kpt #: 122 total cpu time spent up to now is 65.8 secs Computing kpt #: 123 total cpu time spent up to now is 66.3 secs Computing kpt #: 124 total cpu time spent up to now is 66.8 secs Computing kpt #: 125 total cpu time spent up to now is 67.3 secs Computing kpt #: 126 total cpu time spent up to now is 67.8 secs Computing kpt #: 127 total cpu time spent up to now is 68.5 secs Computing kpt #: 128 total cpu time spent up to now is 69.1 secs Computing kpt #: 129 total cpu time spent up to now is 69.7 secs Computing kpt #: 130 total cpu time spent up to now is 70.2 secs Computing kpt #: 131 total cpu time spent up to now is 70.7 secs Computing kpt #: 132 total cpu time spent up to now is 71.2 secs Computing kpt #: 133 total cpu time spent up to now is 71.7 secs Computing kpt #: 134 total cpu time spent up to now is 72.2 secs Computing kpt #: 135 total cpu time spent up to now is 72.7 secs Computing kpt #: 136 total cpu time spent up to now is 73.1 secs Computing kpt #: 137 total cpu time spent up to now is 73.7 secs Computing kpt #: 138 total cpu time spent up to now is 74.1 secs Computing kpt #: 139 total cpu time spent up to now is 74.6 secs Computing kpt #: 140 total cpu time spent up to now is 75.1 secs Computing kpt #: 141 total cpu time spent up to now is 75.6 secs Computing kpt #: 142 total cpu time spent up to now is 76.1 secs Computing kpt #: 143 total cpu time spent up to now is 76.6 secs Computing kpt #: 144 total cpu time spent up to now is 77.1 secs Computing kpt #: 145 total cpu time spent up to now is 77.6 secs Computing kpt #: 146 total cpu time spent up to now is 78.1 secs Computing kpt #: 147 total cpu time spent up to now is 78.6 secs Computing kpt #: 148 total cpu time spent up to now is 79.1 secs Computing kpt #: 149 total cpu time spent up to now is 79.6 secs Computing kpt #: 150 total cpu time spent up to now is 80.1 secs Computing kpt #: 151 total cpu time spent up to now is 80.6 secs Computing kpt #: 152 total cpu time spent up to now is 81.1 secs Computing kpt #: 153 total cpu time spent up to now is 81.6 secs Computing kpt #: 154 total cpu time spent up to now is 82.1 secs Computing kpt #: 155 total cpu time spent up to now is 82.6 secs Computing kpt #: 156 total cpu time spent up to now is 83.1 secs Computing kpt #: 157 total cpu time spent up to now is 83.6 secs Computing kpt #: 158 total cpu time spent up to now is 84.1 secs Computing kpt #: 159 total cpu time spent up to now is 84.6 secs Computing kpt #: 160 total cpu time spent up to now is 85.1 secs Computing kpt #: 161 total cpu time spent up to now is 85.6 secs Computing kpt #: 162 total cpu time spent up to now is 86.1 secs Computing kpt #: 163 total cpu time spent up to now is 86.6 secs Computing kpt #: 164 total cpu time spent up to now is 87.1 secs Computing kpt #: 165 total cpu time spent up to now is 87.6 secs Computing kpt #: 166 total cpu time spent up to now is 88.1 secs Computing kpt #: 167 total cpu time spent up to now is 88.6 secs Computing kpt #: 168 total cpu time spent up to now is 89.2 secs Computing kpt #: 169 total cpu time spent up to now is 89.7 secs Computing kpt #: 170 total cpu time spent up to now is 90.2 secs Computing kpt #: 171 total cpu time spent up to now is 90.7 secs Computing kpt #: 172 total cpu time spent up to now is 91.2 secs Computing kpt #: 173 total cpu time spent up to now is 91.7 secs Computing kpt #: 174 total cpu time spent up to now is 92.2 secs Computing kpt #: 175 total cpu time spent up to now is 92.8 secs Computing kpt #: 176 total cpu time spent up to now is 93.3 secs Computing kpt #: 177 total cpu time spent up to now is 93.8 secs Computing kpt #: 178 total cpu time spent up to now is 94.3 secs Computing kpt #: 179 total cpu time spent up to now is 94.8 secs Computing kpt #: 180 total cpu time spent up to now is 95.3 secs Computing kpt #: 181 total cpu time spent up to now is 95.8 secs Computing kpt #: 182 total cpu time spent up to now is 96.3 secs Computing kpt #: 183 total cpu time spent up to now is 96.8 secs Computing kpt #: 184 total cpu time spent up to now is 97.4 secs Computing kpt #: 185 total cpu time spent up to now is 97.9 secs Computing kpt #: 186 total cpu time spent up to now is 98.4 secs Computing kpt #: 187 total cpu time spent up to now is 98.9 secs Computing kpt #: 188 total cpu time spent up to now is 99.5 secs Computing kpt #: 189 total cpu time spent up to now is 100.0 secs Computing kpt #: 190 total cpu time spent up to now is 100.5 secs Computing kpt #: 191 total cpu time spent up to now is 101.0 secs Computing kpt #: 192 total cpu time spent up to now is 101.5 secs Computing kpt #: 193 total cpu time spent up to now is 102.0 secs Computing kpt #: 194 total cpu time spent up to now is 102.5 secs Computing kpt #: 195 total cpu time spent up to now is 103.0 secs Computing kpt #: 196 total cpu time spent up to now is 103.5 secs Computing kpt #: 197 total cpu time spent up to now is 104.0 secs Computing kpt #: 198 total cpu time spent up to now is 104.5 secs Computing kpt #: 199 total cpu time spent up to now is 105.0 secs Computing kpt #: 200 total cpu time spent up to now is 105.5 secs Computing kpt #: 201 total cpu time spent up to now is 106.1 secs Computing kpt #: 202 total cpu time spent up to now is 106.6 secs Computing kpt #: 203 total cpu time spent up to now is 107.1 secs Computing kpt #: 204 total cpu time spent up to now is 107.6 secs Computing kpt #: 205 total cpu time spent up to now is 108.2 secs Computing kpt #: 206 total cpu time spent up to now is 108.7 secs Computing kpt #: 207 total cpu time spent up to now is 109.2 secs Computing kpt #: 208 total cpu time spent up to now is 109.7 secs Computing kpt #: 209 total cpu time spent up to now is 110.2 secs Computing kpt #: 210 total cpu time spent up to now is 110.7 secs Computing kpt #: 211 total cpu time spent up to now is 111.2 secs Computing kpt #: 212 total cpu time spent up to now is 111.7 secs Computing kpt #: 213 total cpu time spent up to now is 112.2 secs Computing kpt #: 214 total cpu time spent up to now is 112.8 secs Computing kpt #: 215 total cpu time spent up to now is 113.3 secs Computing kpt #: 216 total cpu time spent up to now is 113.8 secs Computing kpt #: 217 total cpu time spent up to now is 114.3 secs Computing kpt #: 218 total cpu time spent up to now is 114.8 secs Computing kpt #: 219 total cpu time spent up to now is 115.4 secs Computing kpt #: 220 total cpu time spent up to now is 115.9 secs Computing kpt #: 221 total cpu time spent up to now is 116.4 secs Computing kpt #: 222 total cpu time spent up to now is 116.9 secs Computing kpt #: 223 total cpu time spent up to now is 117.4 secs Computing kpt #: 224 total cpu time spent up to now is 118.0 secs Computing kpt #: 225 total cpu time spent up to now is 118.5 secs Computing kpt #: 226 total cpu time spent up to now is 119.0 secs Computing kpt #: 227 total cpu time spent up to now is 119.6 secs Computing kpt #: 228 total cpu time spent up to now is 120.1 secs Computing kpt #: 229 total cpu time spent up to now is 120.6 secs Computing kpt #: 230 total cpu time spent up to now is 121.1 secs Computing kpt #: 231 total cpu time spent up to now is 121.6 secs Computing kpt #: 232 total cpu time spent up to now is 122.1 secs Computing kpt #: 233 total cpu time spent up to now is 122.6 secs Computing kpt #: 234 total cpu time spent up to now is 123.1 secs Computing kpt #: 235 total cpu time spent up to now is 123.6 secs Computing kpt #: 236 total cpu time spent up to now is 124.2 secs Computing kpt #: 237 total cpu time spent up to now is 124.7 secs Computing kpt #: 238 total cpu time spent up to now is 125.1 secs Computing kpt #: 239 total cpu time spent up to now is 125.6 secs Computing kpt #: 240 total cpu time spent up to now is 126.1 secs Computing kpt #: 241 total cpu time spent up to now is 126.6 secs Computing kpt #: 242 total cpu time spent up to now is 127.1 secs Computing kpt #: 243 total cpu time spent up to now is 127.6 secs Computing kpt #: 244 total cpu time spent up to now is 128.1 secs Computing kpt #: 245 total cpu time spent up to now is 128.6 secs Computing kpt #: 246 total cpu time spent up to now is 129.1 secs Computing kpt #: 247 total cpu time spent up to now is 129.6 secs Computing kpt #: 248 total cpu time spent up to now is 130.1 secs Computing kpt #: 249 total cpu time spent up to now is 130.6 secs Computing kpt #: 250 total cpu time spent up to now is 131.1 secs Computing kpt #: 251 total cpu time spent up to now is 131.6 secs Computing kpt #: 252 total cpu time spent up to now is 132.1 secs Computing kpt #: 253 total cpu time spent up to now is 132.6 secs Computing kpt #: 254 total cpu time spent up to now is 133.1 secs Computing kpt #: 255 total cpu time spent up to now is 133.6 secs Computing kpt #: 256 total cpu time spent up to now is 134.2 secs Computing kpt #: 257 total cpu time spent up to now is 134.7 secs Computing kpt #: 258 total cpu time spent up to now is 135.2 secs Computing kpt #: 259 total cpu time spent up to now is 135.7 secs Computing kpt #: 260 total cpu time spent up to now is 136.2 secs Computing kpt #: 261 total cpu time spent up to now is 136.7 secs Computing kpt #: 262 total cpu time spent up to now is 137.2 secs Computing kpt #: 263 total cpu time spent up to now is 137.8 secs Computing kpt #: 264 total cpu time spent up to now is 138.3 secs Computing kpt #: 265 total cpu time spent up to now is 138.8 secs Computing kpt #: 266 total cpu time spent up to now is 139.3 secs Computing kpt #: 267 total cpu time spent up to now is 139.8 secs Computing kpt #: 268 total cpu time spent up to now is 140.4 secs Computing kpt #: 269 total cpu time spent up to now is 140.9 secs Computing kpt #: 270 total cpu time spent up to now is 141.5 secs Computing kpt #: 271 total cpu time spent up to now is 142.0 secs Computing kpt #: 272 total cpu time spent up to now is 142.5 secs Computing kpt #: 273 total cpu time spent up to now is 143.0 secs Computing kpt #: 274 total cpu time spent up to now is 143.6 secs Computing kpt #: 275 total cpu time spent up to now is 144.1 secs Computing kpt #: 276 total cpu time spent up to now is 144.7 secs Computing kpt #: 277 total cpu time spent up to now is 145.2 secs Computing kpt #: 278 total cpu time spent up to now is 145.7 secs Computing kpt #: 279 total cpu time spent up to now is 146.2 secs Computing kpt #: 280 total cpu time spent up to now is 146.8 secs Computing kpt #: 281 total cpu time spent up to now is 147.2 secs Computing kpt #: 282 total cpu time spent up to now is 147.8 secs Computing kpt #: 283 total cpu time spent up to now is 148.3 secs ethr = 2.50E-08, avg # of iterations = 16.9 total cpu time spent up to now is 148.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5387 PWs) bands (ev): -24.4621 -24.4621 -24.3466 -24.3466 -15.2304 -15.2304 -15.0461 -15.0461 -10.4842 -10.4842 -10.2131 -10.2131 -6.7602 -6.7602 -6.3357 -6.3357 -6.3092 -6.3092 -6.0056 -6.0056 -5.6310 -5.6310 -5.2724 -5.2724 -2.8930 -2.8930 -2.8614 -2.8614 -2.6296 -2.6296 -2.6034 -2.6034 -1.4336 -1.4336 -1.3373 -1.3373 -1.3020 -1.3020 -0.8776 -0.8776 5.6802 5.6802 6.0193 6.0193 6.4599 6.4599 7.7056 7.7056 k = 0.0000 0.0000 0.0129 ( 5387 PWs) bands (ev): -24.4621 -24.4621 -24.3466 -24.3466 -15.2307 -15.2307 -15.0458 -15.0458 -10.4841 -10.4841 -10.2132 -10.2132 -6.7600 -6.7598 -6.3371 -6.3353 -6.3098 -6.3077 -6.0057 -6.0055 -5.6313 -5.6307 -5.2732 -5.2729 -2.8997 -2.8936 -2.8615 -2.8545 -2.6341 -2.6300 -2.6022 -2.5990 -1.4367 -1.4315 -1.3395 -1.3345 -1.3039 -1.2991 -0.8788 -0.8766 5.6803 5.6805 6.0185 6.0189 6.4607 6.4608 7.7023 7.7034 k = 0.0000 0.0000 0.0258 ( 5387 PWs) bands (ev): -24.4620 -24.4620 -24.3466 -24.3466 -15.2316 -15.2316 -15.0449 -15.0449 -10.4836 -10.4836 -10.2136 -10.2135 -6.7592 -6.7588 -6.3393 -6.3359 -6.3093 -6.3056 -6.0058 -6.0054 -5.6315 -5.6304 -5.2752 -5.2746 -2.9093 -2.9011 -2.8551 -2.8451 -2.6406 -2.6345 -2.5960 -2.5917 -1.4408 -1.4307 -1.3410 -1.3314 -1.3048 -1.2952 -0.8800 -0.8758 5.6806 5.6811 6.0164 6.0171 6.4630 6.4632 7.6940 7.6961 k = 0.0000 0.0000 0.0387 ( 5389 PWs) bands (ev): -24.4620 -24.4620 -24.3466 -24.3466 -15.2331 -15.2331 -15.0435 -15.0435 -10.4827 -10.4827 -10.2141 -10.2141 -6.7578 -6.7573 -6.3418 -6.3374 -6.3080 -6.3030 -6.0060 -6.0053 -5.6317 -5.6300 -5.2784 -5.2775 -2.9201 -2.9114 -2.8465 -2.8351 -2.6474 -2.6403 -2.5876 -2.5832 -1.4454 -1.4313 -1.3414 -1.3284 -1.3049 -1.2904 -0.8814 -0.8751 5.6812 5.6820 6.0130 6.0140 6.4670 6.4673 7.6818 7.6843 k = 0.0000 0.0000 0.0516 ( 5389 PWs) bands (ev): -24.4620 -24.4620 -24.3466 -24.3466 -15.2351 -15.2351 -15.0415 -15.0415 -10.4816 -10.4816 -10.2149 -10.2149 -6.7558 -6.7552 -6.3446 -6.3396 -6.3061 -6.3003 -6.0061 -6.0052 -5.6318 -5.6295 -5.2828 -5.2816 -2.9311 -2.9226 -2.8375 -2.8254 -2.6539 -2.6461 -2.5784 -2.5742 -1.4505 -1.4332 -1.3407 -1.3254 -1.3040 -1.2849 -0.8829 -0.8745 5.6821 5.6832 6.0084 6.0097 6.4726 6.4729 7.6661 7.6688 k = 0.0000 0.0000 0.0645 ( 5393 PWs) bands (ev): -24.4620 -24.4620 -24.3466 -24.3466 -15.2375 -15.2375 -15.0391 -15.0391 -10.4801 -10.4801 -10.2159 -10.2159 -6.7534 -6.7526 -6.3473 -6.3420 -6.3039 -6.2975 -6.0063 -6.0052 -5.6319 -5.6291 -5.2883 -5.2868 -2.9423 -2.9340 -2.8288 -2.8163 -2.6596 -2.6513 -2.5689 -2.5649 -1.4558 -1.4362 -1.3391 -1.3227 -1.3023 -1.2789 -0.8845 -0.8741 5.6834 5.6848 6.0026 6.0042 6.4797 6.4800 7.6474 7.6501 k = 0.0000 0.0000 0.0774 ( 5393 PWs) bands (ev): -24.4620 -24.4620 -24.3466 -24.3466 -15.2404 -15.2403 -15.0364 -15.0364 -10.4784 -10.4783 -10.2171 -10.2170 -6.7504 -6.7495 -6.3500 -6.3445 -6.3015 -6.2948 -6.0065 -6.0052 -5.6320 -5.6286 -5.2948 -5.2930 -2.9534 -2.9454 -2.8209 -2.8081 -2.6643 -2.6558 -2.5593 -2.5556 -1.4612 -1.4401 -1.3368 -1.3202 -1.2997 -1.2724 -0.8861 -0.8739 5.6850 5.6866 5.9958 5.9977 6.4883 6.4886 7.6260 7.6286 k = 0.0000 0.0000 0.0903 ( 5397 PWs) bands (ev): -24.4620 -24.4620 -24.3466 -24.3466 -15.2435 -15.2435 -15.0333 -15.0333 -10.4763 -10.4763 -10.2185 -10.2184 -6.7471 -6.7460 -6.3525 -6.3469 -6.2991 -6.2921 -6.0067 -6.0053 -5.6320 -5.6282 -5.3022 -5.3002 -2.9643 -2.9567 -2.8138 -2.8009 -2.6679 -2.6592 -2.5497 -2.5463 -1.4665 -1.4446 -1.3339 -1.3180 -1.2964 -1.2657 -0.8878 -0.8739 5.6869 5.6889 5.9880 5.9901 6.4983 6.4987 7.6022 7.6046 k = 0.0000 0.0000 0.1032 ( 5401 PWs) bands (ev): -24.4620 -24.4620 -24.3467 -24.3467 -15.2469 -15.2469 -15.0300 -15.0299 -10.4740 -10.4740 -10.2201 -10.2200 -6.7434 -6.7422 -6.3547 -6.3491 -6.2968 -6.2896 -6.0070 -6.0054 -5.6321 -5.6278 -5.3105 -5.3081 -2.9749 -2.9677 -2.8077 -2.7950 -2.6701 -2.6614 -2.5403 -2.5372 -1.4716 -1.4494 -1.3309 -1.3159 -1.2924 -1.2589 -0.8895 -0.8740 5.6893 5.6915 5.9793 5.9816 6.5097 6.5101 7.5762 7.5784 k = 0.0000 0.0000 0.1161 ( 5402 PWs) bands (ev): -24.4620 -24.4620 -24.3467 -24.3467 -15.2505 -15.2504 -15.0265 -15.0264 -10.4715 -10.4715 -10.2218 -10.2218 -6.7395 -6.7382 -6.3566 -6.3510 -6.2945 -6.2872 -6.0074 -6.0056 -5.6323 -5.6275 -5.3194 -5.3168 -2.9852 -2.9784 -2.8028 -2.7905 -2.6709 -2.6625 -2.5311 -2.5283 -1.4765 -1.4543 -1.3278 -1.3141 -1.2878 -1.2521 -0.8912 -0.8744 5.6920 5.6945 5.9699 5.9724 6.5224 6.5227 7.5484 7.5504 k = 0.0000 0.0000 0.1290 ( 5398 PWs) bands (ev): -24.4619 -24.4619 -24.3467 -24.3467 -15.2541 -15.2541 -15.0229 -15.0229 -10.4688 -10.4688 -10.2237 -10.2236 -6.7353 -6.7340 -6.3581 -6.3525 -6.2923 -6.2849 -6.0078 -6.0058 -5.6324 -5.6273 -5.3289 -5.3260 -2.9950 -2.9887 -2.7991 -2.7874 -2.6702 -2.6624 -2.5223 -2.5197 -1.4810 -1.4592 -1.3249 -1.3124 -1.2825 -1.2454 -0.8929 -0.8749 5.6951 5.6979 5.9598 5.9625 6.5363 6.5365 7.5190 7.5209 k = 0.0000 0.0000 0.1419 ( 5401 PWs) bands (ev): -24.4619 -24.4619 -24.3467 -24.3467 -15.2578 -15.2578 -15.0193 -15.0193 -10.4659 -10.4659 -10.2258 -10.2257 -6.7311 -6.7297 -6.3592 -6.3537 -6.2902 -6.2828 -6.0083 -6.0062 -5.6327 -5.6272 -5.3387 -5.3356 -3.0045 -2.9986 -2.7964 -2.7857 -2.6682 -2.6611 -2.5138 -2.5115 -1.4852 -1.4639 -1.3222 -1.3111 -1.2768 -1.2388 -0.8946 -0.8756 5.6987 5.7017 5.9492 5.9521 6.5512 6.5514 7.4885 7.4901 k = 0.0000 0.0000 0.1548 ( 5403 PWs) bands (ev): -24.4619 -24.4619 -24.3467 -24.3467 -15.2615 -15.2614 -15.0157 -15.0157 -10.4629 -10.4628 -10.2279 -10.2278 -6.7268 -6.7254 -6.3598 -6.3544 -6.2882 -6.2808 -6.0089 -6.0067 -5.6330 -5.6272 -5.3488 -5.3455 -3.0134 -3.0079 -2.7948 -2.7851 -2.6652 -2.6589 -2.5058 -2.5037 -1.4889 -1.4683 -1.3198 -1.3099 -1.2706 -1.2324 -0.8962 -0.8765 5.7027 5.7059 5.9383 5.9413 6.5670 6.5673 7.4571 7.4586 k = 0.0000 0.0000 0.1677 ( 5413 PWs) bands (ev): -24.4619 -24.4619 -24.3467 -24.3467 -15.2651 -15.2650 -15.0122 -15.0122 -10.4598 -10.4597 -10.2301 -10.2300 -6.7227 -6.7211 -6.3599 -6.3547 -6.2863 -6.2789 -6.0096 -6.0073 -5.6335 -5.6275 -5.3590 -5.3555 -3.0218 -3.0168 -2.7941 -2.7854 -2.6613 -2.6559 -2.4983 -2.4964 -1.4922 -1.4725 -1.3177 -1.3091 -1.2640 -1.2262 -0.8977 -0.8777 5.7071 5.7105 5.9270 5.9302 6.5836 6.5839 7.4253 7.4265 k = 0.0000 0.0000 0.1806 ( 5405 PWs) bands (ev): -24.4618 -24.4618 -24.3467 -24.3467 -15.2685 -15.2685 -15.0088 -15.0088 -10.4566 -10.4566 -10.2324 -10.2323 -6.7186 -6.7171 -6.3597 -6.3546 -6.2844 -6.2771 -6.0104 -6.0080 -5.6340 -5.6279 -5.3690 -5.3654 -3.0296 -3.0250 -2.7939 -2.7864 -2.6569 -2.6524 -2.4914 -2.4897 -1.4949 -1.4762 -1.3160 -1.3084 -1.2572 -1.2204 -0.8992 -0.8790 5.7119 5.7155 5.9156 5.9190 6.6008 6.6011 7.3933 7.3944 k = 0.0000 0.0000 0.1936 ( 5405 PWs) bands (ev): -24.4618 -24.4618 -24.3467 -24.3467 -15.2718 -15.2718 -15.0056 -15.0055 -10.4534 -10.4534 -10.2347 -10.2346 -6.7147 -6.7132 -6.3590 -6.3541 -6.2825 -6.2754 -6.0112 -6.0088 -5.6346 -5.6285 -5.3788 -5.3750 -3.0368 -3.0326 -2.7943 -2.7877 -2.6523 -2.6485 -2.4850 -2.4835 -1.4972 -1.4797 -1.3147 -1.3080 -1.2503 -1.2150 -0.9004 -0.8805 5.7171 5.7209 5.9041 5.9076 6.6185 6.6188 7.3614 7.3624 k = 0.0000 0.0000 0.2065 ( 5394 PWs) bands (ev): -24.4618 -24.4618 -24.3468 -24.3468 -15.2749 -15.2749 -15.0025 -15.0025 -10.4503 -10.4503 -10.2370 -10.2369 -6.7111 -6.7096 -6.3580 -6.3533 -6.2807 -6.2738 -6.0122 -6.0098 -5.6353 -5.6293 -5.3880 -5.3843 -3.0434 -3.0396 -2.7950 -2.7894 -2.6476 -2.6445 -2.4792 -2.4778 -1.4990 -1.4827 -1.3137 -1.3078 -1.2433 -1.2101 -0.9015 -0.8821 5.7227 5.7267 5.8927 5.8963 6.6365 6.6368 7.3302 7.3311 k = 0.0000 0.0000 0.2194 ( 5397 PWs) bands (ev): -24.4618 -24.4618 -24.3468 -24.3468 -15.2778 -15.2777 -14.9998 -14.9997 -10.4473 -10.4473 -10.2392 -10.2391 -6.7078 -6.7064 -6.3567 -6.3523 -6.2788 -6.2723 -6.0132 -6.0108 -5.6361 -5.6303 -5.3967 -5.3930 -3.0493 -3.0459 -2.7959 -2.7911 -2.6431 -2.6406 -2.4740 -2.4728 -1.5003 -1.4855 -1.3129 -1.3078 -1.2365 -1.2057 -0.9024 -0.8839 5.7287 5.7328 5.8813 5.8851 6.6544 6.6548 7.2999 7.3007 k = 0.0000 0.0000 0.2323 ( 5397 PWs) bands (ev): -24.4617 -24.4617 -24.3468 -24.3468 -15.2803 -15.2803 -14.9972 -14.9972 -10.4445 -10.4444 -10.2413 -10.2412 -6.7048 -6.7035 -6.3552 -6.3512 -6.2770 -6.2709 -6.0142 -6.0120 -5.6370 -5.6315 -5.4045 -5.4010 -3.0545 -3.0516 -2.7969 -2.7928 -2.6388 -2.6368 -2.4694 -2.4683 -1.5012 -1.4879 -1.3125 -1.3080 -1.2298 -1.2018 -0.9030 -0.8859 5.7350 5.7392 5.8702 5.8741 6.6721 6.6725 7.2710 7.2716 k = 0.0000 0.0000 0.2452 ( 5385 PWs) bands (ev): -24.4617 -24.4617 -24.3468 -24.3468 -15.2826 -15.2826 -14.9950 -14.9950 -10.4419 -10.4418 -10.2433 -10.2432 -6.7022 -6.7010 -6.3536 -6.3500 -6.2751 -6.2696 -6.0152 -6.0131 -5.6378 -5.6327 -5.4115 -5.4082 -3.0591 -3.0566 -2.7978 -2.7945 -2.6349 -2.6333 -2.4654 -2.4645 -1.5018 -1.4901 -1.3121 -1.3082 -1.2234 -1.1987 -0.9034 -0.8879 5.7416 5.7459 5.8594 5.8634 6.6893 6.6896 7.2439 7.2445 k = 0.0000 0.0000 0.2581 ( 5390 PWs) bands (ev): -24.4617 -24.4617 -24.3468 -24.3468 -15.2846 -15.2846 -14.9931 -14.9931 -10.4395 -10.4395 -10.2450 -10.2450 -6.6999 -6.6990 -6.3519 -6.3488 -6.2734 -6.2685 -6.0161 -6.0143 -5.6385 -5.6341 -5.4174 -5.4145 -3.0629 -3.0608 -2.7987 -2.7960 -2.6315 -2.6302 -2.4620 -2.4613 -1.5019 -1.4920 -1.3119 -1.3086 -1.2175 -1.1963 -0.9035 -0.8900 5.7485 5.7528 5.8489 5.8530 6.7054 6.7057 7.2192 7.2197 k = 0.0000 0.0000 0.2710 ( 5386 PWs) bands (ev): -24.4617 -24.4617 -24.3468 -24.3468 -15.2862 -15.2862 -14.9915 -14.9915 -10.4375 -10.4375 -10.2466 -10.2465 -6.6981 -6.6973 -6.3504 -6.3478 -6.2716 -6.2676 -6.0169 -6.0154 -5.6391 -5.6354 -5.4223 -5.4199 -3.0660 -3.0643 -2.7994 -2.7973 -2.6286 -2.6276 -2.4593 -2.4587 -1.5018 -1.4937 -1.3118 -1.3091 -1.2120 -1.1946 -0.9033 -0.8920 5.7555 5.7598 5.8390 5.8430 6.7199 6.7202 7.1975 7.1979 k = 0.0000 0.0000 0.2839 ( 5386 PWs) bands (ev): -24.4617 -24.4617 -24.3468 -24.3468 -15.2875 -15.2875 -14.9902 -14.9902 -10.4359 -10.4359 -10.2478 -10.2478 -6.6966 -6.6960 -6.3491 -6.3471 -6.2701 -6.2670 -6.0176 -6.0164 -5.6395 -5.6367 -5.4261 -5.4242 -3.0684 -3.0671 -2.8000 -2.7984 -2.6263 -2.6256 -2.4571 -2.4566 -1.5014 -1.4952 -1.3117 -1.3096 -1.2071 -1.1938 -0.9028 -0.8941 5.7626 5.7665 5.8299 5.8337 6.7323 6.7325 7.1795 7.1798 k = 0.0000 0.0000 0.2968 ( 5386 PWs) bands (ev): -24.4617 -24.4617 -24.3468 -24.3468 -15.2884 -15.2884 -14.9893 -14.9893 -10.4347 -10.4347 -10.2487 -10.2487 -6.6955 -6.6951 -6.3480 -6.3466 -6.2688 -6.2666 -6.0180 -6.0172 -5.6397 -5.6378 -5.4287 -5.4274 -3.0700 -3.0692 -2.8003 -2.7993 -2.6246 -2.6241 -2.4555 -2.4552 -1.5007 -1.4966 -1.3115 -1.3100 -1.2029 -1.1939 -0.9019 -0.8960 5.7693 5.7727 5.8221 5.8254 6.7419 6.7420 7.1660 7.1662 k = 0.0000 0.0000 0.3097 ( 5388 PWs) bands (ev): -24.4617 -24.4617 -24.3468 -24.3468 -15.2890 -15.2890 -14.9888 -14.9888 -10.4340 -10.4340 -10.2493 -10.2492 -6.6948 -6.6946 -6.3471 -6.3464 -6.2677 -6.2666 -6.0182 -6.0178 -5.6397 -5.6387 -5.4301 -5.4294 -3.0709 -3.0705 -2.8004 -2.7999 -2.6235 -2.6233 -2.4546 -2.4544 -1.4999 -1.4978 -1.3112 -1.3105 -1.1994 -1.1949 -0.9008 -0.8978 5.7749 5.7771 5.8167 5.8189 6.7479 6.7480 7.1575 7.1576 k = 0.0000 0.0000 0.3226 ( 5386 PWs) bands (ev): -24.4616 -24.4616 -24.3468 -24.3468 -15.2892 -15.2892 -14.9886 -14.9886 -10.4338 -10.4338 -10.2494 -10.2494 -6.6945 -6.6945 -6.3466 -6.3466 -6.2670 -6.2670 -6.0182 -6.0182 -5.6393 -5.6393 -5.4304 -5.4304 -3.0711 -3.0711 -2.8003 -2.8003 -2.6231 -2.6231 -2.4542 -2.4542 -1.4989 -1.4989 -1.3109 -1.3109 -1.1967 -1.1967 -0.8994 -0.8994 5.7780 5.7780 5.8155 5.8155 6.7500 6.7500 7.1547 7.1547 k = 0.0000 0.0000 0.3226 ( 5386 PWs) bands (ev): -24.4616 -24.4616 -24.3468 -24.3468 -15.2892 -15.2892 -14.9886 -14.9886 -10.4338 -10.4338 -10.2494 -10.2494 -6.6945 -6.6945 -6.3466 -6.3466 -6.2670 -6.2670 -6.0182 -6.0182 -5.6393 -5.6393 -5.4304 -5.4304 -3.0711 -3.0711 -2.8003 -2.8003 -2.6231 -2.6231 -2.4542 -2.4542 -1.4989 -1.4989 -1.3109 -1.3109 -1.1967 -1.1967 -0.8994 -0.8994 5.7780 5.7780 5.8155 5.8155 6.7500 6.7500 7.1547 7.1547 k = 0.0000 0.0130 0.3226 ( 5392 PWs) bands (ev): -24.4616 -24.4616 -24.3469 -24.3469 -15.2889 -15.2889 -14.9887 -14.9887 -10.4337 -10.4337 -10.2501 -10.2501 -6.6951 -6.6948 -6.3475 -6.3464 -6.2673 -6.2664 -6.0179 -6.0176 -5.6403 -5.6397 -5.4299 -5.4292 -3.0706 -3.0705 -2.8009 -2.8005 -2.6236 -2.6230 -2.4542 -2.4537 -1.4996 -1.4981 -1.3133 -1.3071 -1.1979 -1.1932 -0.8999 -0.8994 5.7678 5.7716 5.8211 5.8247 6.7524 6.7529 7.1550 7.1551 k = 0.0000 0.0260 0.3226 ( 5393 PWs) bands (ev): -24.4614 -24.4614 -24.3471 -24.3471 -15.2883 -15.2883 -14.9890 -14.9890 -10.4334 -10.4334 -10.2520 -10.2519 -6.6964 -6.6959 -6.3490 -6.3470 -6.2674 -6.2655 -6.0167 -6.0163 -5.6427 -5.6416 -5.4277 -5.4266 -3.0691 -3.0689 -2.8024 -2.8015 -2.6245 -2.6235 -2.4538 -2.4528 -1.5001 -1.4972 -1.3142 -1.3020 -1.1966 -1.1873 -0.9008 -0.8997 5.7504 5.7552 5.8349 5.8394 6.7600 6.7609 7.1560 7.1564 k = 0.0000 0.0391 0.3226 ( 5390 PWs) bands (ev): -24.4610 -24.4610 -24.3474 -24.3474 -15.2871 -15.2871 -14.9896 -14.9896 -10.4330 -10.4329 -10.2551 -10.2551 -6.6985 -6.6977 -6.3510 -6.3482 -6.2672 -6.2646 -6.0148 -6.0141 -5.6463 -5.6447 -5.4242 -5.4225 -3.0666 -3.0662 -2.8047 -2.8033 -2.6258 -2.6243 -2.4530 -2.4515 -1.5005 -1.4961 -1.3136 -1.2957 -1.1928 -1.1792 -0.9020 -0.9003 5.7308 5.7359 5.8502 5.8548 6.7726 6.7740 7.1578 7.1583 k = 0.0000 0.0521 0.3226 ( 5399 PWs) bands (ev): -24.4606 -24.4606 -24.3479 -24.3479 -15.2855 -15.2855 -14.9903 -14.9903 -10.4324 -10.4323 -10.2595 -10.2594 -6.7013 -6.7003 -6.3535 -6.3500 -6.2669 -6.2637 -6.0120 -6.0112 -5.6509 -5.6489 -5.4193 -5.4172 -3.0630 -3.0625 -2.8077 -2.8057 -2.6277 -2.6257 -2.4518 -2.4497 -1.5005 -1.4949 -1.3115 -1.2884 -1.1866 -1.1689 -0.9035 -0.9013 5.7102 5.7155 5.8652 5.8697 6.7899 6.7917 7.1601 7.1609 k = 0.0000 0.0651 0.3226 ( 5395 PWs) bands (ev): -24.4599 -24.4599 -24.3485 -24.3485 -15.2835 -15.2834 -14.9913 -14.9912 -10.4316 -10.4315 -10.2651 -10.2649 -6.7048 -6.7036 -6.3562 -6.3522 -6.2666 -6.2630 -6.0084 -6.0075 -5.6562 -5.6540 -5.4133 -5.4110 -3.0584 -3.0578 -2.8112 -2.8088 -2.6301 -2.6275 -2.4502 -2.4476 -1.5003 -1.4935 -1.3080 -1.2801 -1.1780 -1.1566 -0.9054 -0.9025 5.6891 5.6946 5.8797 5.8840 6.8117 6.8138 7.1631 7.1640 k = 0.0000 0.0781 0.3226 ( 5393 PWs) bands (ev): -24.4592 -24.4592 -24.3493 -24.3492 -15.2810 -15.2810 -14.9924 -14.9924 -10.4306 -10.4305 -10.2717 -10.2716 -6.7089 -6.7076 -6.3592 -6.3548 -6.2664 -6.2626 -6.0041 -6.0031 -5.6621 -5.6597 -5.4066 -5.4040 -3.0530 -3.0523 -2.8153 -2.8123 -2.6331 -2.6300 -2.4484 -2.4453 -1.4998 -1.4919 -1.3030 -1.2711 -1.1672 -1.1424 -0.9076 -0.9038 5.6680 5.6735 5.8935 5.8976 6.8376 6.8398 7.1664 7.1676 k = 0.0000 0.0912 0.3226 ( 5389 PWs) bands (ev): -24.4583 -24.4583 -24.3501 -24.3501 -15.2781 -15.2780 -14.9938 -14.9938 -10.4294 -10.4293 -10.2795 -10.2793 -6.7137 -6.7122 -6.3623 -6.3577 -6.2663 -6.2625 -5.9990 -5.9980 -5.6683 -5.6659 -5.3993 -5.3966 -3.0467 -3.0459 -2.8196 -2.8161 -2.6366 -2.6330 -2.4464 -2.4428 -1.4989 -1.4901 -1.2969 -1.2614 -1.1542 -1.1263 -0.9099 -0.9053 5.6469 5.6525 5.9067 5.9106 6.8669 6.8693 7.1699 7.1714 k = 0.0000 0.1042 0.3226 ( 5391 PWs) bands (ev): -24.4573 -24.4573 -24.3511 -24.3511 -15.2747 -15.2747 -14.9954 -14.9954 -10.4280 -10.4279 -10.2883 -10.2881 -6.7189 -6.7173 -6.3654 -6.3607 -6.2666 -6.2628 -5.9933 -5.9924 -5.6745 -5.6722 -5.3916 -5.3888 -3.0396 -3.0387 -2.8241 -2.8200 -2.6408 -2.6366 -2.4443 -2.4401 -1.4975 -1.4880 -1.2896 -1.2512 -1.1393 -1.1086 -0.9123 -0.9067 5.6263 5.6319 5.9195 5.9230 6.8993 6.9018 7.1736 7.1753 k = 0.0000 0.1172 0.3226 ( 5394 PWs) bands (ev): -24.4562 -24.4562 -24.3522 -24.3522 -15.2710 -15.2710 -14.9972 -14.9972 -10.4264 -10.4263 -10.2980 -10.2979 -6.7245 -6.7228 -6.3685 -6.3638 -6.2672 -6.2636 -5.9871 -5.9862 -5.6807 -5.6785 -5.3837 -5.3810 -3.0319 -3.0310 -2.8285 -2.8239 -2.6456 -2.6409 -2.4421 -2.4374 -1.4958 -1.4855 -1.2813 -1.2406 -1.1227 -1.0895 -0.9148 -0.9078 5.6062 5.6119 5.9317 5.9350 6.9341 6.9366 7.1772 7.1793 k = 0.0000 0.1302 0.3226 ( 5397 PWs) bands (ev): -24.4549 -24.4549 -24.3535 -24.3535 -15.2669 -15.2669 -14.9992 -14.9992 -10.4246 -10.4245 -10.3087 -10.3085 -6.7306 -6.7288 -6.3715 -6.3670 -6.2681 -6.2647 -5.9805 -5.9797 -5.6866 -5.6846 -5.3758 -5.3732 -3.0237 -3.0228 -2.8327 -2.8275 -2.6511 -2.6457 -2.4400 -2.4348 -1.4936 -1.4828 -1.2723 -1.2297 -1.1049 -1.0690 -0.9171 -0.9085 5.5869 5.5926 5.9436 5.9466 6.9707 6.9732 7.1807 7.1832 k = 0.0000 0.1433 0.3226 ( 5393 PWs) bands (ev): -24.4535 -24.4535 -24.3548 -24.3548 -15.2624 -15.2624 -15.0015 -15.0014 -10.4226 -10.4224 -10.3201 -10.3199 -6.7369 -6.7350 -6.3746 -6.3702 -6.2693 -6.2663 -5.9737 -5.9728 -5.6920 -5.6903 -5.3681 -5.3656 -3.0153 -3.0143 -2.8365 -2.8306 -2.6571 -2.6512 -2.4380 -2.4323 -1.4909 -1.4796 -1.2627 -1.2188 -1.0860 -1.0475 -0.9191 -0.9085 5.5686 5.5743 5.9551 5.9578 7.0084 7.0107 7.1842 7.1871 k = 0.0000 0.1563 0.3226 ( 5394 PWs) bands (ev): -24.4520 -24.4520 -24.3563 -24.3563 -15.2576 -15.2576 -15.0039 -15.0039 -10.4203 -10.4201 -10.3322 -10.3320 -6.7434 -6.7415 -6.3775 -6.3734 -6.2709 -6.2683 -5.9667 -5.9658 -5.6969 -5.6955 -5.3606 -5.3582 -3.0067 -3.0057 -2.8396 -2.8331 -2.6638 -2.6573 -2.4361 -2.4300 -1.4878 -1.4761 -1.2527 -1.2080 -1.0666 -1.0252 -0.9207 -0.9074 5.5513 5.5570 5.9663 5.9688 7.0458 7.0480 7.1881 7.1914 k = 0.0000 0.1693 0.3226 ( 5392 PWs) bands (ev): -24.4504 -24.4504 -24.3579 -24.3579 -15.2525 -15.2524 -15.0066 -15.0066 -10.4178 -10.4176 -10.3449 -10.3447 -6.7501 -6.7482 -6.3805 -6.3765 -6.2727 -6.2705 -5.9598 -5.9588 -5.7012 -5.6999 -5.3535 -5.3512 -2.9983 -2.9975 -2.8418 -2.8346 -2.6710 -2.6640 -2.4344 -2.4279 -1.4842 -1.4722 -1.2427 -1.1976 -1.0470 -1.0024 -0.9214 -0.9048 5.5352 5.5409 5.9772 5.9795 7.0810 7.0830 7.1937 7.1974 k = 0.0000 0.1823 0.3226 ( 5393 PWs) bands (ev): -24.4487 -24.4487 -24.3596 -24.3596 -15.2470 -15.2470 -15.0095 -15.0095 -10.4150 -10.4149 -10.3582 -10.3580 -6.7568 -6.7549 -6.3833 -6.3797 -6.2748 -6.2729 -5.9531 -5.9519 -5.7047 -5.7034 -5.3469 -5.3447 -2.9905 -2.9897 -2.8428 -2.8349 -2.6787 -2.6711 -2.4329 -2.4260 -1.4801 -1.4679 -1.2329 -1.1879 -1.0277 -0.9796 -0.9210 -0.9004 5.5204 5.5261 5.9879 5.9899 7.1101 7.1119 7.2042 7.2081 k = 0.0000 0.1954 0.3226 ( 5401 PWs) bands (ev): -24.4469 -24.4469 -24.3614 -24.3614 -15.2413 -15.2413 -15.0127 -15.0126 -10.4121 -10.4119 -10.3718 -10.3715 -6.7635 -6.7617 -6.3862 -6.3828 -6.2771 -6.2756 -5.9468 -5.9453 -5.7075 -5.7058 -5.3408 -5.3387 -2.9834 -2.9828 -2.8422 -2.8338 -2.6870 -2.6788 -2.4317 -2.4245 -1.4757 -1.4633 -1.2235 -1.1792 -1.0093 -0.9581 -0.9182 -0.8936 5.5069 5.5125 5.9982 6.0001 7.1277 7.1299 7.2240 7.2277 k = 0.0000 0.2084 0.3226 ( 5407 PWs) bands (ev): -24.4450 -24.4450 -24.3633 -24.3633 -15.2353 -15.2353 -15.0160 -15.0160 -10.4091 -10.4089 -10.3855 -10.3852 -6.7701 -6.7684 -6.3890 -6.3859 -6.2794 -6.2783 -5.9409 -5.9392 -5.7092 -5.7071 -5.3353 -5.3333 -2.9774 -2.9771 -2.8399 -2.8311 -2.6956 -2.6868 -2.4307 -2.4232 -1.4709 -1.4583 -1.2147 -1.1717 -0.9920 -0.9406 -0.9102 -0.8841 5.4947 5.5003 6.0081 6.0099 7.1332 7.1360 7.2532 7.2564 k = 0.0000 0.2214 0.3226 ( 5403 PWs) bands (ev): -24.4430 -24.4430 -24.3653 -24.3653 -15.2291 -15.2291 -15.0196 -15.0195 -10.4076 -10.4074 -10.3977 -10.3974 -6.7767 -6.7749 -6.3917 -6.3890 -6.2819 -6.2811 -5.9356 -5.9336 -5.7099 -5.7072 -5.3304 -5.3284 -2.9729 -2.9726 -2.8358 -2.8267 -2.7046 -2.6950 -2.4299 -2.4223 -1.4657 -1.4532 -1.2069 -1.1656 -0.9759 -0.9303 -0.8941 -0.8719 5.4840 5.4894 6.0177 6.0194 7.1305 7.1339 7.2870 7.2899 k = 0.0000 0.2344 0.3226 ( 5407 PWs) bands (ev): -24.4409 -24.4409 -24.3673 -24.3673 -15.2227 -15.2227 -15.0234 -15.0233 -10.4165 -10.4164 -10.3992 -10.3991 -6.7830 -6.7814 -6.3945 -6.3920 -6.2844 -6.2840 -5.9310 -5.9287 -5.7093 -5.7061 -5.3263 -5.3242 -2.9701 -2.9692 -2.8300 -2.8207 -2.7137 -2.7034 -2.4293 -2.4216 -1.4603 -1.4478 -1.2001 -1.1611 -0.9610 -0.9238 -0.8734 -0.8574 5.4745 5.4799 6.0267 6.0283 7.1227 7.1265 7.3220 7.3245 k = 0.0000 0.2475 0.3226 ( 5408 PWs) bands (ev): -24.4387 -24.4387 -24.3695 -24.3695 -15.2162 -15.2161 -15.0274 -15.0273 -10.4304 -10.4302 -10.3957 -10.3955 -6.7891 -6.7876 -6.3972 -6.3950 -6.2870 -6.2867 -5.9270 -5.9245 -5.7076 -5.7037 -5.3230 -5.3207 -2.9687 -2.9671 -2.8228 -2.8135 -2.7227 -2.7116 -2.4290 -2.4212 -1.4547 -1.4424 -1.1944 -1.1581 -0.9468 -0.9178 -0.8516 -0.8411 5.4664 5.4716 6.0351 6.0366 7.1112 7.1153 7.3560 7.3583 k = 0.0000 0.2605 0.3226 ( 5406 PWs) bands (ev): -24.4365 -24.4365 -24.3717 -24.3717 -15.2095 -15.2094 -15.0316 -15.0315 -10.4446 -10.4444 -10.3914 -10.3912 -6.7949 -6.7935 -6.3999 -6.3980 -6.2896 -6.2893 -5.9238 -5.9211 -5.7046 -5.7002 -5.3203 -5.3179 -2.9685 -2.9661 -2.8148 -2.8056 -2.7313 -2.7193 -2.4288 -2.4209 -1.4490 -1.4370 -1.1899 -1.1567 -0.9331 -0.9113 -0.8301 -0.8237 5.4595 5.4646 6.0428 6.0443 7.0966 7.1009 7.3879 7.3902 k = 0.0000 0.2735 0.3226 ( 5408 PWs) bands (ev): -24.4342 -24.4342 -24.3739 -24.3739 -15.2026 -15.2026 -15.0359 -15.0359 -10.4588 -10.4586 -10.3866 -10.3864 -6.8004 -6.7991 -6.4026 -6.4008 -6.2922 -6.2917 -5.9213 -5.9184 -5.7004 -5.6955 -5.3185 -5.3158 -2.9694 -2.9662 -2.8067 -2.7979 -2.7387 -2.7259 -2.4287 -2.4209 -1.4432 -1.4316 -1.1865 -1.1566 -0.9196 -0.9040 -0.8097 -0.8058 5.4538 5.4587 6.0497 6.0511 7.0796 7.0840 7.4171 7.4194 k = 0.0000 0.2865 0.3226 ( 5398 PWs) bands (ev): -24.4319 -24.4319 -24.3762 -24.3762 -15.1957 -15.1957 -15.0405 -15.0405 -10.4729 -10.4727 -10.3816 -10.3814 -6.8056 -6.8044 -6.4051 -6.4036 -6.2948 -6.2941 -5.9194 -5.9165 -5.6952 -5.6898 -5.3175 -5.3145 -2.9712 -2.9671 -2.7997 -2.7922 -2.7436 -2.7305 -2.4287 -2.4210 -1.4376 -1.4265 -1.1841 -1.1576 -0.9063 -0.8961 -0.7912 -0.7874 5.4492 5.4539 6.0557 6.0570 7.0606 7.0649 7.4432 7.4456 k = 0.0000 0.2996 0.3226 ( 5397 PWs) bands (ev): -24.4295 -24.4295 -24.3786 -24.3786 -15.1888 -15.1887 -15.0453 -15.0452 -10.4866 -10.4864 -10.3761 -10.3759 -6.8104 -6.8094 -6.4076 -6.4063 -6.2972 -6.2963 -5.9181 -5.9151 -5.6889 -5.6831 -5.3172 -5.3139 -2.9737 -2.9687 -2.7953 -2.7904 -2.7440 -2.7319 -2.4287 -2.4211 -1.4321 -1.4216 -1.1824 -1.1594 -0.8932 -0.8877 -0.7744 -0.7694 5.4455 5.4499 6.0606 6.0619 7.0399 7.0442 7.4662 7.4687 k = 0.0000 0.3126 0.3226 ( 5397 PWs) bands (ev): -24.4272 -24.4271 -24.3810 -24.3809 -15.1818 -15.1818 -15.0502 -15.0502 -10.4999 -10.4997 -10.3704 -10.3702 -6.8148 -6.8139 -6.4100 -6.4089 -6.2995 -6.2985 -5.9172 -5.9143 -5.6817 -5.6757 -5.3177 -5.3141 -2.9768 -2.9709 -2.7944 -2.7931 -2.7395 -2.7292 -2.4287 -2.4213 -1.4269 -1.4173 -1.1814 -1.1619 -0.8807 -0.8786 -0.7591 -0.7527 5.4426 5.4468 6.0643 6.0655 7.0183 7.0224 7.4863 7.4890 k = 0.0000 0.3256 0.3226 ( 5395 PWs) bands (ev): -24.4248 -24.4248 -24.3833 -24.3833 -15.1749 -15.1748 -15.0553 -15.0553 -10.5128 -10.5126 -10.3644 -10.3642 -6.8188 -6.8180 -6.4122 -6.4112 -6.3017 -6.3005 -5.9168 -5.9140 -5.6738 -5.6675 -5.3189 -5.3150 -2.9805 -2.9738 -2.7987 -2.7966 -2.7318 -2.7229 -2.4287 -2.4214 -1.4221 -1.4134 -1.1806 -1.1647 -0.8709 -0.8676 -0.7454 -0.7376 5.4404 5.4443 6.0667 6.0679 6.9961 6.9999 7.5041 7.5071 k = 0.0000 0.3386 0.3226 ( 5389 PWs) bands (ev): -24.4224 -24.4224 -24.3856 -24.3856 -15.1680 -15.1680 -15.0605 -15.0605 -10.5251 -10.5249 -10.3581 -10.3579 -6.8223 -6.8217 -6.4143 -6.4134 -6.3037 -6.3024 -5.9167 -5.9140 -5.6653 -5.6587 -5.3209 -5.3167 -2.9848 -2.9774 -2.8051 -2.8008 -2.7227 -2.7145 -2.4285 -2.4215 -1.4178 -1.4102 -1.1801 -1.1676 -0.8624 -0.8560 -0.7334 -0.7244 5.4388 5.4424 6.0677 6.0688 6.9739 6.9775 7.5200 7.5234 k = 0.0000 0.3517 0.3226 ( 5390 PWs) bands (ev): -24.4202 -24.4202 -24.3879 -24.3879 -15.1613 -15.1612 -15.0659 -15.0658 -10.5368 -10.5366 -10.3515 -10.3514 -6.8255 -6.8250 -6.4162 -6.4154 -6.3057 -6.3042 -5.9168 -5.9142 -5.6562 -5.6495 -5.3237 -5.3191 -2.9898 -2.9816 -2.8116 -2.8056 -2.7131 -2.7053 -2.4283 -2.4214 -1.4140 -1.4077 -1.1795 -1.1706 -0.8546 -0.8452 -0.7234 -0.7133 5.4375 5.4408 6.0672 6.0683 6.9524 6.9557 7.5349 7.5388 k = 0.0000 0.3517 0.3226 ( 5390 PWs) bands (ev): -24.4202 -24.4202 -24.3879 -24.3879 -15.1613 -15.1612 -15.0659 -15.0658 -10.5368 -10.5366 -10.3515 -10.3514 -6.8255 -6.8250 -6.4162 -6.4154 -6.3057 -6.3042 -5.9168 -5.9142 -5.6562 -5.6495 -5.3237 -5.3191 -2.9898 -2.9816 -2.8116 -2.8056 -2.7131 -2.7053 -2.4283 -2.4214 -1.4140 -1.4077 -1.1795 -1.1706 -0.8546 -0.8452 -0.7234 -0.7133 5.4375 5.4408 6.0672 6.0683 6.9524 6.9557 7.5349 7.5388 k = 0.0000 0.3568 0.3113 ( 5396 PWs) bands (ev): -24.4193 -24.4193 -24.3888 -24.3887 -15.1581 -15.1580 -15.0689 -15.0689 -10.5322 -10.5320 -10.3577 -10.3575 -6.8207 -6.8202 -6.4156 -6.4147 -6.3095 -6.3080 -5.9175 -5.9150 -5.6568 -5.6506 -5.3242 -5.3200 -2.9864 -2.9782 -2.8069 -2.8017 -2.7186 -2.7103 -2.4308 -2.4241 -1.4197 -1.4136 -1.1786 -1.1704 -0.8485 -0.8380 -0.7229 -0.7119 5.4424 5.4455 6.0598 6.0608 6.9855 6.9888 7.5621 7.5659 k = 0.0000 0.3619 0.2999 ( 5402 PWs) bands (ev): -24.4185 -24.4185 -24.3896 -24.3896 -15.1547 -15.1546 -15.0722 -15.0721 -10.5275 -10.5273 -10.3638 -10.3636 -6.8158 -6.8153 -6.4158 -6.4147 -6.3126 -6.3112 -5.9182 -5.9159 -5.6573 -5.6515 -5.3247 -5.3208 -2.9829 -2.9748 -2.8036 -2.7994 -2.7225 -2.7137 -2.4337 -2.4274 -1.4250 -1.4192 -1.1780 -1.1704 -0.8425 -0.8310 -0.7226 -0.7109 5.4473 5.4502 6.0524 6.0533 7.0193 7.0226 7.5885 7.5923 k = 0.0000 0.3670 0.2886 ( 5401 PWs) bands (ev): -24.4177 -24.4177 -24.3904 -24.3904 -15.1511 -15.1511 -15.0756 -15.0755 -10.5229 -10.5227 -10.3697 -10.3695 -6.8110 -6.8105 -6.4166 -6.4154 -6.3150 -6.3136 -5.9190 -5.9169 -5.6576 -5.6523 -5.3251 -5.3216 -2.9791 -2.9712 -2.8021 -2.7988 -2.7244 -2.7153 -2.4369 -2.4309 -1.4297 -1.4243 -1.1776 -1.1707 -0.8366 -0.8245 -0.7224 -0.7103 5.4522 5.4548 6.0451 6.0460 7.0535 7.0567 7.6137 7.6174 k = 0.0000 0.3721 0.2773 ( 5394 PWs) bands (ev): -24.4169 -24.4169 -24.3911 -24.3911 -15.1474 -15.1474 -15.0792 -15.0791 -10.5184 -10.5182 -10.3753 -10.3751 -6.8064 -6.8058 -6.4180 -6.4167 -6.3167 -6.3154 -5.9197 -5.9178 -5.6578 -5.6531 -5.3255 -5.3223 -2.9752 -2.9676 -2.8025 -2.7999 -2.7243 -2.7153 -2.4404 -2.4347 -1.4340 -1.4290 -1.1773 -1.1712 -0.8308 -0.8185 -0.7224 -0.7101 5.4569 5.4593 6.0380 6.0389 7.0876 7.0907 7.6373 7.6407 k = 0.0000 0.3772 0.2660 ( 5386 PWs) bands (ev): -24.4162 -24.4162 -24.3918 -24.3918 -15.1436 -15.1435 -15.0829 -15.0829 -10.5140 -10.5138 -10.3807 -10.3805 -6.8019 -6.8014 -6.4198 -6.4185 -6.3178 -6.3166 -5.9205 -5.9187 -5.6579 -5.6537 -5.3258 -5.3230 -2.9712 -2.9640 -2.8045 -2.8023 -2.7225 -2.7139 -2.4439 -2.4387 -1.4377 -1.4332 -1.1772 -1.1718 -0.8253 -0.8131 -0.7223 -0.7102 5.4614 5.4635 6.0315 6.0322 7.1210 7.1239 7.6588 7.6619 k = 0.0000 0.3824 0.2547 ( 5389 PWs) bands (ev): -24.4155 -24.4155 -24.3925 -24.3925 -15.1397 -15.1396 -15.0868 -15.0867 -10.5099 -10.5097 -10.3857 -10.3856 -6.7978 -6.7973 -6.4220 -6.4207 -6.3184 -6.3172 -5.9211 -5.9196 -5.6579 -5.6543 -5.3260 -5.3236 -2.9672 -2.9606 -2.8076 -2.8056 -2.7196 -2.7117 -2.4473 -2.4426 -1.4409 -1.4369 -1.1772 -1.1725 -0.8200 -0.8084 -0.7222 -0.7107 5.4655 5.4673 6.0255 6.0262 7.1531 7.1559 7.6778 7.6805 k = 0.0000 0.3875 0.2433 ( 5383 PWs) bands (ev): -24.4149 -24.4149 -24.3931 -24.3931 -15.1357 -15.1356 -15.0907 -15.0906 -10.5060 -10.5059 -10.3903 -10.3902 -6.7941 -6.7937 -6.4242 -6.4230 -6.3186 -6.3175 -5.9217 -5.9204 -5.6579 -5.6548 -5.3262 -5.3241 -2.9633 -2.9575 -2.8112 -2.8093 -2.7160 -2.7091 -2.4504 -2.4464 -1.4435 -1.4401 -1.1772 -1.1733 -0.8152 -0.8045 -0.7220 -0.7115 5.4692 5.4708 6.0202 6.0208 7.1831 7.1856 7.6941 7.6964 k = 0.0000 0.3926 0.2320 ( 5378 PWs) bands (ev): -24.4144 -24.4144 -24.3936 -24.3936 -15.1317 -15.1316 -15.0947 -15.0946 -10.5026 -10.5025 -10.3943 -10.3942 -6.7909 -6.7905 -6.4263 -6.4252 -6.3185 -6.3176 -5.9222 -5.9212 -5.6578 -5.6553 -5.3263 -5.3246 -2.9597 -2.9548 -2.8148 -2.8131 -2.7123 -2.7065 -2.4532 -2.4498 -1.4456 -1.4428 -1.1771 -1.1740 -0.8107 -0.8015 -0.7216 -0.7126 5.4724 5.4736 6.0157 6.0162 7.2100 7.2122 7.7075 7.7094 k = 0.0000 0.3977 0.2207 ( 5382 PWs) bands (ev): -24.4140 -24.4140 -24.3940 -24.3940 -15.1277 -15.1277 -15.0986 -15.0986 -10.4997 -10.4996 -10.3977 -10.3975 -6.7883 -6.7880 -6.4280 -6.4272 -6.3183 -6.3176 -5.9225 -5.9218 -5.6576 -5.6557 -5.3263 -5.3251 -2.9565 -2.9526 -2.8179 -2.8165 -2.7089 -2.7044 -2.4554 -2.4528 -1.4472 -1.4450 -1.1771 -1.1747 -0.8069 -0.7995 -0.7211 -0.7138 5.4750 5.4759 6.0121 6.0125 7.2327 7.2345 7.7179 7.7192 k = 0.0000 0.4028 0.2094 ( 5369 PWs) bands (ev): -24.4137 -24.4137 -24.3943 -24.3943 -15.1239 -15.1239 -15.1023 -15.1023 -10.4975 -10.4975 -10.4001 -10.4001 -6.7863 -6.7861 -6.4294 -6.4288 -6.3180 -6.3175 -5.9228 -5.9223 -5.6574 -5.6561 -5.3263 -5.3254 -2.9538 -2.9511 -2.8203 -2.8193 -2.7060 -2.7029 -2.4570 -2.4552 -1.4481 -1.4467 -1.1769 -1.1753 -0.8036 -0.7984 -0.7202 -0.7152 5.4769 5.4776 6.0096 6.0098 7.2502 7.2514 7.7252 7.7261 k = 0.0000 0.4080 0.1981 ( 5367 PWs) bands (ev): -24.4135 -24.4135 -24.3945 -24.3945 -15.1208 -15.1208 -15.1055 -15.1054 -10.4962 -10.4961 -10.4017 -10.4017 -6.7851 -6.7850 -6.4302 -6.4299 -6.3177 -6.3175 -5.9229 -5.9226 -5.6571 -5.6565 -5.3262 -5.3258 -2.9519 -2.9505 -2.8217 -2.8211 -2.7039 -2.7023 -2.4578 -2.4569 -1.4486 -1.4479 -1.1767 -1.1759 -0.8010 -0.7984 -0.7192 -0.7166 5.4782 5.4785 6.0080 6.0081 7.2613 7.2620 7.7296 7.7300 k = 0.0000 0.4131 0.1867 ( 5374 PWs) bands (ev): -24.4134 -24.4134 -24.3945 -24.3945 -15.1194 -15.1194 -15.1068 -15.1068 -10.4957 -10.4957 -10.4022 -10.4022 -6.7847 -6.7847 -6.4303 -6.4303 -6.3176 -6.3176 -5.9228 -5.9228 -5.6568 -5.6568 -5.3260 -5.3260 -2.9507 -2.9507 -2.8220 -2.8220 -2.7026 -2.7026 -2.4578 -2.4578 -1.4485 -1.4485 -1.1763 -1.1763 -0.7992 -0.7992 -0.7179 -0.7179 5.4787 5.4787 6.0075 6.0075 7.2653 7.2653 7.7312 7.7312 k = 0.0000 0.4131 0.1867 ( 5374 PWs) bands (ev): -24.4134 -24.4134 -24.3945 -24.3945 -15.1194 -15.1194 -15.1068 -15.1068 -10.4957 -10.4957 -10.4022 -10.4022 -6.7847 -6.7847 -6.4303 -6.4303 -6.3176 -6.3176 -5.9228 -5.9228 -5.6568 -5.6568 -5.3260 -5.3260 -2.9507 -2.9507 -2.8220 -2.8220 -2.7026 -2.7026 -2.4578 -2.4578 -1.4485 -1.4485 -1.1763 -1.1763 -0.7992 -0.7992 -0.7179 -0.7179 5.4787 5.4787 6.0075 6.0075 7.2653 7.2653 7.7312 7.7312 k = 0.0132 0.4131 0.1867 ( 5378 PWs) bands (ev): -24.4134 -24.4134 -24.3945 -24.3945 -15.1193 -15.1193 -15.1067 -15.1067 -10.4958 -10.4958 -10.4024 -10.4024 -6.7846 -6.7845 -6.4328 -6.4308 -6.3178 -6.3156 -5.9241 -5.9238 -5.6565 -5.6565 -5.3263 -5.3262 -2.9500 -2.9500 -2.8215 -2.8215 -2.7024 -2.7023 -2.4581 -2.4578 -1.4493 -1.4487 -1.1768 -1.1764 -0.7994 -0.7985 -0.7180 -0.7177 5.4790 5.4791 6.0081 6.0081 7.2651 7.2653 7.7272 7.7300 k = 0.0263 0.4131 0.1867 ( 5380 PWs) bands (ev): -24.4134 -24.4133 -24.3945 -24.3945 -15.1190 -15.1190 -15.1065 -15.1065 -10.4961 -10.4961 -10.4029 -10.4028 -6.7843 -6.7840 -6.4377 -6.4340 -6.3164 -6.3122 -5.9277 -5.9271 -5.6554 -5.6554 -5.3270 -5.3268 -2.9479 -2.9478 -2.8202 -2.8202 -2.7016 -2.7015 -2.4587 -2.4582 -1.4511 -1.4498 -1.1779 -1.1771 -0.7990 -0.7973 -0.7178 -0.7172 5.4799 5.4801 6.0097 6.0097 7.2645 7.2648 7.7186 7.7238 k = 0.0395 0.4131 0.1867 ( 5382 PWs) bands (ev): -24.4132 -24.4132 -24.3945 -24.3945 -15.1186 -15.1185 -15.1060 -15.1060 -10.4966 -10.4966 -10.4037 -10.4037 -6.7836 -6.7832 -6.4448 -6.4397 -6.3136 -6.3077 -5.9334 -5.9327 -5.6537 -5.6537 -5.3281 -5.3279 -2.9444 -2.9441 -2.8180 -2.8180 -2.7002 -2.7002 -2.4597 -2.4590 -1.4539 -1.4519 -1.1795 -1.1783 -0.7981 -0.7955 -0.7174 -0.7165 5.4814 5.4818 6.0124 6.0124 7.2636 7.2641 7.7061 7.7133 k = 0.0526 0.4131 0.1867 ( 5386 PWs) bands (ev): -24.4131 -24.4131 -24.3944 -24.3944 -15.1179 -15.1179 -15.1054 -15.1054 -10.4974 -10.4973 -10.4049 -10.4048 -6.7827 -6.7822 -6.4535 -6.4474 -6.3099 -6.3028 -5.9413 -5.9403 -5.6514 -5.6513 -5.3296 -5.3294 -2.9395 -2.9392 -2.8151 -2.8150 -2.6983 -2.6982 -2.4610 -2.4601 -1.4575 -1.4550 -1.1817 -1.1801 -0.7967 -0.7932 -0.7168 -0.7156 5.4836 5.4840 6.0161 6.0161 7.2624 7.2631 7.6905 7.6993 k = 0.0658 0.4131 0.1867 ( 5378 PWs) bands (ev): -24.4128 -24.4128 -24.3943 -24.3943 -15.1171 -15.1170 -15.1047 -15.1046 -10.4983 -10.4981 -10.4064 -10.4063 -6.7815 -6.7808 -6.4634 -6.4566 -6.3056 -6.2977 -5.9512 -5.9500 -5.6486 -5.6484 -5.3316 -5.3313 -2.9333 -2.9329 -2.8115 -2.8114 -2.6958 -2.6957 -2.4626 -2.4615 -1.4619 -1.4588 -1.1844 -1.1824 -0.7948 -0.7905 -0.7160 -0.7145 5.4864 5.4869 6.0207 6.0208 7.2610 7.2619 7.6727 7.6826 k = 0.0789 0.4131 0.1867 ( 5386 PWs) bands (ev): -24.4126 -24.4126 -24.3942 -24.3942 -15.1160 -15.1160 -15.1037 -15.1037 -10.4994 -10.4992 -10.4082 -10.4080 -6.7800 -6.7792 -6.4742 -6.4669 -6.3014 -6.2927 -5.9630 -5.9616 -5.6453 -5.6450 -5.3339 -5.3336 -2.9260 -2.9255 -2.8073 -2.8072 -2.6926 -2.6926 -2.4646 -2.4632 -1.4669 -1.4635 -1.1876 -1.1851 -0.7923 -0.7874 -0.7149 -0.7132 5.4897 5.4904 6.0263 6.0263 7.2595 7.2605 7.6532 7.6639 k = 0.0921 0.4131 0.1867 ( 5390 PWs) bands (ev): -24.4123 -24.4123 -24.3941 -24.3941 -15.1149 -15.1148 -15.1026 -15.1026 -10.5006 -10.5004 -10.4103 -10.4101 -6.7782 -6.7773 -6.4856 -6.4781 -6.2973 -6.2882 -5.9764 -5.9749 -5.6416 -5.6412 -5.3365 -5.3362 -2.9176 -2.9171 -2.8027 -2.8027 -2.6888 -2.6888 -2.4669 -2.4653 -1.4726 -1.4687 -1.1912 -1.1883 -0.7895 -0.7838 -0.7137 -0.7118 5.4936 5.4944 6.0325 6.0325 7.2578 7.2591 7.6326 7.6438 k = 0.1053 0.4131 0.1867 ( 5392 PWs) bands (ev): -24.4119 -24.4119 -24.3940 -24.3940 -15.1135 -15.1135 -15.1014 -15.1014 -10.5021 -10.5019 -10.4127 -10.4125 -6.7761 -6.7750 -6.4975 -6.4898 -6.2936 -6.2842 -5.9914 -5.9897 -5.6376 -5.6370 -5.3393 -5.3390 -2.9084 -2.9077 -2.7978 -2.7978 -2.6844 -2.6842 -2.4695 -2.4677 -1.4786 -1.4746 -1.1953 -1.1918 -0.7862 -0.7799 -0.7122 -0.7101 5.4981 5.4989 6.0394 6.0395 7.2562 7.2576 7.6111 7.6227 k = 0.1184 0.4131 0.1867 ( 5392 PWs) bands (ev): -24.4115 -24.4115 -24.3939 -24.3939 -15.1120 -15.1120 -15.1000 -15.1000 -10.5036 -10.5034 -10.4154 -10.4152 -6.7737 -6.7725 -6.5095 -6.5018 -6.2905 -6.2810 -6.0078 -6.0060 -5.6332 -5.6325 -5.3424 -5.3422 -2.8983 -2.8976 -2.7928 -2.7928 -2.6793 -2.6789 -2.4724 -2.4704 -1.4850 -1.4808 -1.1996 -1.1957 -0.7825 -0.7757 -0.7106 -0.7083 5.5030 5.5040 6.0468 6.0469 7.2546 7.2561 7.5890 7.6008 k = 0.1316 0.4131 0.1867 ( 5388 PWs) bands (ev): -24.4111 -24.4111 -24.3937 -24.3937 -15.1104 -15.1103 -15.0985 -15.0985 -10.5054 -10.5051 -10.4184 -10.4181 -6.7710 -6.7696 -6.5217 -6.5139 -6.2882 -6.2785 -6.0254 -6.0236 -5.6285 -5.6276 -5.3458 -5.3456 -2.8877 -2.8868 -2.7879 -2.7878 -2.6735 -2.6729 -2.4756 -2.4733 -1.4915 -1.4873 -1.2043 -1.1999 -0.7785 -0.7712 -0.7088 -0.7064 5.5084 5.5095 6.0546 6.0547 7.2531 7.2547 7.5666 7.5785 k = 0.1447 0.4131 0.1867 ( 5386 PWs) bands (ev): -24.4106 -24.4106 -24.3936 -24.3936 -15.1086 -15.1086 -15.0969 -15.0969 -10.5072 -10.5069 -10.4216 -10.4213 -6.7680 -6.7665 -6.5339 -6.5261 -6.2866 -6.2768 -6.0442 -6.0423 -5.6236 -5.6225 -5.3492 -5.3491 -2.8765 -2.8756 -2.7830 -2.7828 -2.6671 -2.6662 -2.4790 -2.4765 -1.4980 -1.4938 -1.2092 -1.2043 -0.7742 -0.7665 -0.7068 -0.7043 5.5143 5.5155 6.0626 6.0628 7.2517 7.2534 7.5440 7.5559 k = 0.1579 0.4131 0.1867 ( 5384 PWs) bands (ev): -24.4101 -24.4101 -24.3934 -24.3934 -15.1067 -15.1066 -15.0951 -15.0951 -10.5092 -10.5089 -10.4251 -10.4247 -6.7646 -6.7630 -6.5459 -6.5381 -6.2859 -6.2761 -6.0639 -6.0619 -5.6185 -5.6172 -5.3528 -5.3528 -2.8651 -2.8640 -2.7784 -2.7781 -2.6601 -2.6589 -2.4827 -2.4800 -1.5044 -1.5004 -1.2143 -1.2088 -0.7696 -0.7616 -0.7047 -0.7020 5.5206 5.5220 6.0706 6.0709 7.2505 7.2523 7.5216 7.5333 k = 0.1711 0.4131 0.1867 ( 5382 PWs) bands (ev): -24.4096 -24.4095 -24.3933 -24.3933 -15.1046 -15.1046 -15.0933 -15.0933 -10.5112 -10.5109 -10.4288 -10.4284 -6.7609 -6.7592 -6.5576 -6.5500 -6.2861 -6.2764 -6.0844 -6.0824 -5.6132 -5.6117 -5.3566 -5.3565 -2.8535 -2.8524 -2.7740 -2.7736 -2.6527 -2.6510 -2.4866 -2.4836 -1.5105 -1.5067 -1.2195 -1.2136 -0.7648 -0.7565 -0.7024 -0.6997 5.5274 5.5289 6.0785 6.0789 7.2494 7.2514 7.4993 7.5109 k = 0.1842 0.4131 0.1867 ( 5394 PWs) bands (ev): -24.4090 -24.4090 -24.3931 -24.3931 -15.1025 -15.1025 -15.0914 -15.0914 -10.5133 -10.5130 -10.4327 -10.4323 -6.7569 -6.7550 -6.5691 -6.5615 -6.2872 -6.2776 -6.1056 -6.1036 -5.6077 -5.6060 -5.3604 -5.3602 -2.8418 -2.8407 -2.7699 -2.7694 -2.6449 -2.6428 -2.4907 -2.4875 -1.5161 -1.5127 -1.2249 -1.2184 -0.7598 -0.7513 -0.7000 -0.6972 5.5347 5.5363 6.0860 6.0866 7.2486 7.2506 7.4775 7.4887 k = 0.1974 0.4131 0.1867 ( 5388 PWs) bands (ev): -24.4084 -24.4084 -24.3930 -24.3930 -15.1003 -15.1003 -15.0894 -15.0894 -10.5155 -10.5151 -10.4368 -10.4364 -6.7525 -6.7506 -6.5801 -6.5726 -6.2892 -6.2797 -6.1273 -6.1253 -5.6021 -5.6001 -5.3643 -5.3639 -2.8304 -2.8292 -2.7660 -2.7655 -2.6370 -2.6343 -2.4949 -2.4914 -1.5211 -1.5182 -1.2304 -1.2234 -0.7547 -0.7460 -0.6975 -0.6947 5.5425 5.5441 6.0930 6.0937 7.2479 7.2500 7.4562 7.4671 k = 0.2105 0.4131 0.1867 ( 5392 PWs) bands (ev): -24.4078 -24.4078 -24.3928 -24.3928 -15.0980 -15.0980 -15.0874 -15.0874 -10.5177 -10.5173 -10.4411 -10.4407 -6.7478 -6.7457 -6.5907 -6.5833 -6.2922 -6.2828 -6.1495 -6.1474 -5.5963 -5.5941 -5.3683 -5.3677 -2.8191 -2.8179 -2.7625 -2.7618 -2.6289 -2.6257 -2.4992 -2.4955 -1.5254 -1.5231 -1.2360 -1.2284 -0.7494 -0.7407 -0.6948 -0.6920 5.5507 5.5525 6.0993 6.1002 7.2474 7.2496 7.4356 7.4462 k = 0.2237 0.4131 0.1867 ( 5388 PWs) bands (ev): -24.4071 -24.4071 -24.3926 -24.3926 -15.0957 -15.0957 -15.0854 -15.0853 -10.5199 -10.5195 -10.4456 -10.4451 -6.7428 -6.7406 -6.6007 -6.5934 -6.2961 -6.2869 -6.1719 -6.1698 -5.5903 -5.5880 -5.3722 -5.3714 -2.8083 -2.8071 -2.7592 -2.7585 -2.6210 -2.6172 -2.5036 -2.4996 -1.5289 -1.5271 -1.2417 -1.2335 -0.7441 -0.7353 -0.6921 -0.6893 5.5595 5.5614 6.1047 6.1059 7.2470 7.2493 7.4159 7.4260 k = 0.2368 0.4131 0.1867 ( 5390 PWs) bands (ev): -24.4065 -24.4065 -24.3925 -24.3925 -15.0933 -15.0933 -15.0833 -15.0832 -10.5221 -10.5217 -10.4502 -10.4497 -6.7374 -6.7351 -6.6101 -6.6029 -6.3008 -6.2918 -6.1945 -6.1924 -5.5843 -5.5818 -5.3761 -5.3751 -2.7979 -2.7968 -2.7560 -2.7554 -2.6133 -2.6089 -2.5080 -2.5038 -1.5314 -1.5304 -1.2475 -1.2387 -0.7387 -0.7299 -0.6893 -0.6865 5.5688 5.5709 6.1090 6.1104 7.2467 7.2491 7.3972 7.4068 k = 0.2500 0.4131 0.1867 ( 5394 PWs) bands (ev): -24.4058 -24.4058 -24.3924 -24.3924 -15.0909 -15.0908 -15.0812 -15.0811 -10.5243 -10.5239 -10.4549 -10.4544 -6.7317 -6.7292 -6.6188 -6.6117 -6.3065 -6.2976 -6.2171 -6.2150 -5.5782 -5.5754 -5.3800 -5.3788 -2.7882 -2.7872 -2.7531 -2.7525 -2.6059 -2.6009 -2.5124 -2.5078 -1.5328 -1.5326 -1.2533 -1.2439 -0.7332 -0.7245 -0.6865 -0.6837 5.5788 5.5809 6.1121 6.1137 7.2466 7.2490 7.3796 7.3886 k = 0.2632 0.4131 0.1867 ( 5394 PWs) bands (ev): -24.4051 -24.4051 -24.3922 -24.3922 -15.0884 -15.0884 -15.0791 -15.0791 -10.5264 -10.5260 -10.4596 -10.4592 -6.7257 -6.7231 -6.6268 -6.6198 -6.3129 -6.3042 -6.2396 -6.2375 -5.5719 -5.5690 -5.3839 -5.3825 -2.7791 -2.7784 -2.7503 -2.7498 -2.5990 -2.5934 -2.5168 -2.5118 -1.5338 -1.5332 -1.2592 -1.2493 -0.7278 -0.7192 -0.6837 -0.6809 5.5893 5.5916 6.1138 6.1157 7.2464 7.2489 7.3632 7.3717 k = 0.2763 0.4131 0.1867 ( 5388 PWs) bands (ev): -24.4044 -24.4044 -24.3921 -24.3921 -15.0860 -15.0860 -15.0770 -15.0770 -10.5285 -10.5280 -10.4645 -10.4640 -6.7193 -6.7166 -6.6341 -6.6271 -6.3202 -6.3116 -6.2619 -6.2598 -5.5656 -5.5625 -5.3878 -5.3861 -2.7708 -2.7705 -2.7475 -2.7473 -2.5926 -2.5864 -2.5210 -2.5157 -1.5339 -1.5325 -1.2653 -1.2548 -0.7224 -0.7139 -0.6808 -0.6781 5.6005 5.6029 6.1139 6.1161 7.2463 7.2488 7.3480 7.3559 k = 0.2895 0.4131 0.1867 ( 5386 PWs) bands (ev): -24.4037 -24.4037 -24.3920 -24.3920 -15.0836 -15.0836 -15.0750 -15.0750 -10.5304 -10.5299 -10.4694 -10.4689 -6.7127 -6.7098 -6.6405 -6.6336 -6.3282 -6.3198 -6.2839 -6.2818 -5.5592 -5.5560 -5.3917 -5.3898 -2.7636 -2.7633 -2.7450 -2.7447 -2.5868 -2.5799 -2.5250 -2.5193 -1.5329 -1.5305 -1.2714 -1.2604 -0.7171 -0.7087 -0.6780 -0.6753 5.6124 5.6149 6.1123 6.1149 7.2462 7.2488 7.3342 7.3414 k = 0.3026 0.4131 0.1867 ( 5384 PWs) bands (ev): -24.4030 -24.4030 -24.3920 -24.3920 -15.0812 -15.0812 -15.0730 -15.0730 -10.5322 -10.5317 -10.4743 -10.4737 -6.7058 -6.7028 -6.6461 -6.6392 -6.3370 -6.3287 -6.3054 -6.3032 -5.5528 -5.5494 -5.3955 -5.3934 -2.7578 -2.7567 -2.7428 -2.7418 -2.5815 -2.5742 -2.5289 -2.5227 -1.5308 -1.5275 -1.2777 -1.2662 -0.7119 -0.7036 -0.6752 -0.6725 5.6249 5.6276 6.1091 6.1120 7.2461 7.2487 7.3217 7.3283 k = 0.3158 0.4131 0.1867 ( 5388 PWs) bands (ev): -24.4023 -24.4023 -24.3919 -24.3919 -15.0789 -15.0788 -15.0711 -15.0711 -10.5339 -10.5334 -10.4791 -10.4786 -6.6987 -6.6955 -6.6508 -6.6440 -6.3468 -6.3384 -6.3260 -6.3239 -5.5464 -5.5428 -5.3994 -5.3971 -2.7531 -2.7511 -2.7406 -2.7388 -2.5770 -2.5690 -2.5325 -2.5259 -1.5275 -1.5233 -1.2842 -1.2723 -0.7067 -0.6987 -0.6726 -0.6699 5.6382 5.6411 6.1040 6.1073 7.2460 7.2486 7.3104 7.3164 k = 0.3289 0.4131 0.1867 ( 5390 PWs) bands (ev): -24.4016 -24.4016 -24.3919 -24.3919 -15.0766 -15.0766 -15.0693 -15.0693 -10.5354 -10.5349 -10.4840 -10.4834 -6.6914 -6.6881 -6.6546 -6.6477 -6.3581 -6.3503 -6.3449 -6.3423 -5.5400 -5.5363 -5.4033 -5.4007 -2.7494 -2.7465 -2.7383 -2.7358 -2.5730 -2.5646 -2.5358 -2.5287 -1.5232 -1.5180 -1.2909 -1.2786 -0.7017 -0.6939 -0.6700 -0.6673 5.6522 5.6552 6.0973 6.1008 7.2459 7.2484 7.3005 7.3059 k = 0.3421 0.4131 0.1867 ( 5380 PWs) bands (ev): -24.4009 -24.4009 -24.3919 -24.3918 -15.0744 -15.0744 -15.0676 -15.0675 -10.5367 -10.5362 -10.4888 -10.4882 -6.6840 -6.6805 -6.6575 -6.6505 -6.3726 -6.3668 -6.3603 -6.3557 -5.5335 -5.5297 -5.4072 -5.4044 -2.7465 -2.7429 -2.7360 -2.7330 -2.5696 -2.5607 -2.5388 -2.5311 -1.5178 -1.5117 -1.2979 -1.2851 -0.6969 -0.6893 -0.6676 -0.6648 5.6669 5.6701 6.0887 6.0926 7.2457 7.2482 7.2917 7.2966 k = 0.3553 0.4131 0.1867 ( 5384 PWs) bands (ev): -24.4002 -24.4002 -24.3919 -24.3919 -15.0723 -15.0723 -15.0659 -15.0659 -10.5379 -10.5373 -10.4934 -10.4929 -6.6766 -6.6731 -6.6593 -6.6522 -6.3898 -6.3850 -6.3727 -6.3669 -5.5271 -5.5232 -5.4112 -5.4082 -2.7441 -2.7403 -2.7336 -2.7306 -2.5668 -2.5575 -2.5415 -2.5333 -1.5115 -1.5044 -1.3051 -1.2920 -0.6922 -0.6849 -0.6653 -0.6626 5.6824 5.6858 6.0785 6.0826 7.2455 7.2480 7.2841 7.2884 k = 0.3684 0.4131 0.1867 ( 5384 PWs) bands (ev): -24.3995 -24.3995 -24.3919 -24.3919 -15.0703 -15.0703 -15.0645 -15.0644 -10.5387 -10.5382 -10.4980 -10.4974 -6.6697 -6.6660 -6.6599 -6.6524 -6.4072 -6.4026 -6.3841 -6.3780 -5.5207 -5.5167 -5.4152 -5.4121 -2.7421 -2.7383 -2.7314 -2.7286 -2.5644 -2.5548 -2.5439 -2.5351 -1.5042 -1.4964 -1.3127 -1.2992 -0.6878 -0.6807 -0.6633 -0.6605 5.6986 5.7021 6.0667 6.0711 7.2453 7.2478 7.2775 7.2814 k = 0.3816 0.4131 0.1867 ( 5388 PWs) bands (ev): -24.3989 -24.3989 -24.3920 -24.3920 -15.0684 -15.0684 -15.0631 -15.0631 -10.5394 -10.5388 -10.5024 -10.5018 -6.6645 -6.6604 -6.6580 -6.6505 -6.4239 -6.4191 -6.3954 -6.3891 -5.5144 -5.5102 -5.4193 -5.4160 -2.7404 -2.7367 -2.7296 -2.7271 -2.5625 -2.5526 -2.5460 -2.5366 -1.4962 -1.4875 -1.3205 -1.3068 -0.6835 -0.6767 -0.6615 -0.6586 5.7154 5.7191 6.0534 6.0580 7.2452 7.2476 7.2719 7.2753 k = 0.3947 0.4131 0.1867 ( 5386 PWs) bands (ev): -24.3983 -24.3983 -24.3921 -24.3921 -15.0667 -15.0666 -15.0619 -15.0618 -10.5398 -10.5392 -10.5067 -10.5061 -6.6621 -6.6570 -6.6527 -6.6457 -6.4394 -6.4342 -6.4066 -6.4003 -5.5081 -5.5039 -5.4235 -5.4200 -2.7389 -2.7354 -2.7282 -2.7261 -2.5610 -2.5508 -2.5477 -2.5378 -1.4875 -1.4781 -1.3287 -1.3147 -0.6796 -0.6730 -0.6599 -0.6569 5.7330 5.7368 6.0387 6.0435 7.2450 7.2474 7.2671 7.2701 k = 0.4079 0.4131 0.1867 ( 5388 PWs) bands (ev): -24.3977 -24.3977 -24.3922 -24.3922 -15.0650 -15.0650 -15.0608 -15.0608 -10.5399 -10.5393 -10.5108 -10.5102 -6.6602 -6.6544 -6.6466 -6.6397 -6.4534 -6.4477 -6.4178 -6.4114 -5.5019 -5.4976 -5.4278 -5.4242 -2.7376 -2.7342 -2.7273 -2.7256 -2.5597 -2.5494 -2.5493 -2.5389 -1.4783 -1.4681 -1.3372 -1.3231 -0.6758 -0.6696 -0.6586 -0.6555 5.7511 5.7551 6.0228 6.0277 7.2450 7.2473 7.2630 7.2657 k = 0.4211 0.4131 0.1867 ( 5382 PWs) bands (ev): -24.3971 -24.3971 -24.3924 -24.3924 -15.0636 -15.0635 -15.0599 -15.0599 -10.5397 -10.5391 -10.5146 -10.5140 -6.6579 -6.6516 -6.6410 -6.6338 -6.4655 -6.4593 -6.4288 -6.4224 -5.4958 -5.4915 -5.4323 -5.4285 -2.7363 -2.7332 -2.7267 -2.7254 -2.5587 -2.5505 -2.5482 -2.5397 -1.4685 -1.4576 -1.3460 -1.3318 -0.6724 -0.6664 -0.6576 -0.6544 5.7698 5.7740 6.0058 6.0108 7.2450 7.2472 7.2595 7.2619 k = 0.4342 0.4131 0.1867 ( 5378 PWs) bands (ev): -24.3965 -24.3965 -24.3926 -24.3926 -15.0623 -15.0622 -15.0592 -15.0592 -10.5393 -10.5387 -10.5183 -10.5176 -6.6549 -6.6483 -6.6365 -6.6288 -6.4754 -6.4687 -6.4396 -6.4330 -5.4898 -5.4854 -5.4368 -5.4329 -2.7350 -2.7322 -2.7265 -2.7256 -2.5579 -2.5516 -2.5472 -2.5404 -1.4584 -1.4469 -1.3552 -1.3409 -0.6693 -0.6636 -0.6569 -0.6535 5.7890 5.7933 5.9879 5.9930 7.2451 7.2472 7.2566 7.2588 k = 0.4474 0.4131 0.1867 ( 5384 PWs) bands (ev): -24.3960 -24.3960 -24.3928 -24.3928 -15.0611 -15.0611 -15.0587 -15.0586 -10.5385 -10.5379 -10.5216 -10.5210 -6.6514 -6.6445 -6.6332 -6.6251 -6.4827 -6.4755 -6.4500 -6.4433 -5.4839 -5.4795 -5.4415 -5.4374 -2.7339 -2.7314 -2.7265 -2.7261 -2.5573 -2.5525 -2.5463 -2.5411 -1.4480 -1.4359 -1.3647 -1.3504 -0.6665 -0.6611 -0.6566 -0.6530 5.8086 5.8131 5.9692 5.9743 7.2453 7.2474 7.2541 7.2562 k = 0.4605 0.4131 0.1867 ( 5386 PWs) bands (ev): -24.3955 -24.3955 -24.3931 -24.3931 -15.0602 -15.0601 -15.0583 -15.0583 -10.5375 -10.5369 -10.5248 -10.5242 -6.6475 -6.6403 -6.6316 -6.6231 -6.4871 -6.4795 -6.4598 -6.4529 -5.4781 -5.4737 -5.4463 -5.4421 -2.7327 -2.7305 -2.7268 -2.7267 -2.5567 -2.5533 -2.5456 -2.5417 -1.4374 -1.4249 -1.3745 -1.3603 -0.6640 -0.6589 -0.6565 -0.6528 5.8286 5.8332 5.9498 5.9550 7.2457 7.2477 7.2521 7.2540 k = 0.4737 0.4131 0.1867 ( 5384 PWs) bands (ev): -24.3950 -24.3950 -24.3934 -24.3934 -15.0594 -15.0594 -15.0582 -15.0581 -10.5361 -10.5355 -10.5276 -10.5270 -6.6434 -6.6359 -6.6316 -6.6230 -6.4885 -6.4806 -6.4688 -6.4616 -5.4725 -5.4681 -5.4512 -5.4470 -2.7316 -2.7298 -2.7275 -2.7272 -2.5562 -2.5540 -2.5448 -2.5423 -1.4267 -1.4138 -1.3846 -1.3705 -0.6619 -0.6570 -0.6569 -0.6530 5.8488 5.8536 5.9300 5.9352 7.2462 7.2482 7.2504 7.2523 k = 0.4868 0.4131 0.1867 ( 5386 PWs) bands (ev): -24.3946 -24.3945 -24.3938 -24.3938 -15.0588 -15.0588 -15.0582 -15.0581 -10.5345 -10.5338 -10.5302 -10.5296 -6.6394 -6.6331 -6.6315 -6.6246 -6.4869 -6.4791 -6.4766 -6.4691 -5.4669 -5.4626 -5.4563 -5.4520 -2.7305 -2.7290 -2.7285 -2.7277 -2.5557 -2.5546 -2.5442 -2.5429 -1.4160 -1.4027 -1.3949 -1.3810 -0.6601 -0.6576 -0.6555 -0.6535 5.8691 5.8740 5.9099 5.9150 7.2469 7.2488 7.2490 7.2508 k = 0.5000 0.4131 0.1867 ( 5384 PWs) bands (ev): -24.3942 -24.3942 -24.3941 -24.3941 -15.0584 -15.0584 -15.0584 -15.0584 -10.5325 -10.5325 -10.5319 -10.5319 -6.6359 -6.6359 -6.6276 -6.6276 -6.4828 -6.4828 -6.4751 -6.4751 -5.4616 -5.4616 -5.4572 -5.4572 -2.7295 -2.7295 -2.7283 -2.7283 -2.5552 -2.5552 -2.5436 -2.5436 -1.4054 -1.4054 -1.3918 -1.3918 -0.6587 -0.6587 -0.6543 -0.6543 5.8896 5.8896 5.8946 5.8946 7.2478 7.2478 7.2497 7.2497 k = 0.5000 0.4131 0.1867 ( 5384 PWs) bands (ev): -24.3942 -24.3942 -24.3941 -24.3941 -15.0584 -15.0584 -15.0584 -15.0584 -10.5325 -10.5325 -10.5319 -10.5319 -6.6359 -6.6359 -6.6276 -6.6276 -6.4828 -6.4828 -6.4751 -6.4751 -5.4616 -5.4616 -5.4572 -5.4572 -2.7295 -2.7295 -2.7283 -2.7283 -2.5552 -2.5552 -2.5436 -2.5436 -1.4054 -1.4054 -1.3918 -1.3918 -0.6587 -0.6587 -0.6543 -0.6543 5.8896 5.8896 5.8946 5.8946 7.2478 7.2478 7.2497 7.2497 k = 0.5000 0.4182 0.1754 ( 5390 PWs) bands (ev): -24.3942 -24.3942 -24.3941 -24.3941 -15.0584 -15.0584 -15.0584 -15.0584 -10.5325 -10.5325 -10.5319 -10.5319 -6.6355 -6.6355 -6.6272 -6.6272 -6.4829 -6.4829 -6.4752 -6.4752 -5.4617 -5.4617 -5.4574 -5.4574 -2.7296 -2.7296 -2.7284 -2.7284 -2.5549 -2.5549 -2.5433 -2.5433 -1.4056 -1.4056 -1.3919 -1.3919 -0.6588 -0.6588 -0.6544 -0.6544 5.8894 5.8894 5.8944 5.8944 7.2476 7.2476 7.2495 7.2495 k = 0.5000 0.4233 0.1641 ( 5386 PWs) bands (ev): -24.3942 -24.3942 -24.3941 -24.3941 -15.0584 -15.0584 -15.0584 -15.0584 -10.5326 -10.5326 -10.5320 -10.5320 -6.6345 -6.6345 -6.6262 -6.6262 -6.4832 -6.4832 -6.4755 -6.4755 -5.4623 -5.4623 -5.4580 -5.4580 -2.7300 -2.7300 -2.7287 -2.7287 -2.5542 -2.5542 -2.5426 -2.5426 -1.4061 -1.4061 -1.3924 -1.3924 -0.6592 -0.6592 -0.6545 -0.6545 5.8890 5.8890 5.8940 5.8940 7.2469 7.2470 7.2489 7.2490 k = 0.5000 0.4284 0.1528 ( 5390 PWs) bands (ev): -24.3942 -24.3942 -24.3941 -24.3941 -15.0584 -15.0584 -15.0584 -15.0584 -10.5327 -10.5327 -10.5321 -10.5321 -6.6327 -6.6327 -6.6245 -6.6245 -6.4837 -6.4837 -6.4760 -6.4760 -5.4632 -5.4632 -5.4589 -5.4589 -2.7306 -2.7306 -2.7292 -2.7292 -2.5531 -2.5531 -2.5414 -2.5414 -1.4070 -1.4070 -1.3932 -1.3932 -0.6598 -0.6598 -0.6548 -0.6548 5.8883 5.8883 5.8933 5.8933 7.2458 7.2459 7.2480 7.2480 k = 0.5000 0.4335 0.1415 ( 5388 PWs) bands (ev): -24.3942 -24.3942 -24.3941 -24.3941 -15.0584 -15.0584 -15.0584 -15.0584 -10.5329 -10.5329 -10.5323 -10.5323 -6.6304 -6.6303 -6.6221 -6.6221 -6.4843 -6.4843 -6.4767 -6.4767 -5.4644 -5.4644 -5.4602 -5.4602 -2.7315 -2.7315 -2.7300 -2.7299 -2.5515 -2.5515 -2.5397 -2.5397 -1.4083 -1.4083 -1.3942 -1.3942 -0.6606 -0.6606 -0.6553 -0.6553 5.8873 5.8873 5.8924 5.8924 7.2443 7.2443 7.2467 7.2467 k = 0.5000 0.4387 0.1301 ( 5390 PWs) bands (ev): -24.3942 -24.3942 -24.3941 -24.3941 -15.0585 -15.0585 -15.0584 -15.0584 -10.5331 -10.5331 -10.5325 -10.5325 -6.6273 -6.6273 -6.6191 -6.6191 -6.4852 -6.4851 -6.4775 -6.4775 -5.4660 -5.4660 -5.4618 -5.4618 -2.7326 -2.7326 -2.7309 -2.7309 -2.5494 -2.5494 -2.5375 -2.5375 -1.4098 -1.4098 -1.3956 -1.3956 -0.6617 -0.6617 -0.6559 -0.6559 5.8861 5.8861 5.8912 5.8912 7.2424 7.2424 7.2449 7.2449 k = 0.5000 0.4438 0.1188 ( 5390 PWs) bands (ev): -24.3942 -24.3942 -24.3941 -24.3941 -15.0585 -15.0585 -15.0584 -15.0584 -10.5333 -10.5333 -10.5327 -10.5327 -6.6237 -6.6237 -6.6155 -6.6155 -6.4861 -6.4861 -6.4785 -6.4785 -5.4680 -5.4680 -5.4638 -5.4638 -2.7339 -2.7339 -2.7321 -2.7321 -2.5468 -2.5468 -2.5349 -2.5349 -1.4116 -1.4116 -1.3972 -1.3972 -0.6630 -0.6630 -0.6567 -0.6567 5.8846 5.8846 5.8898 5.8898 7.2400 7.2400 7.2427 7.2428 k = 0.5000 0.4489 0.1075 ( 5386 PWs) bands (ev): -24.3942 -24.3942 -24.3941 -24.3941 -15.0585 -15.0585 -15.0585 -15.0585 -10.5336 -10.5336 -10.5330 -10.5330 -6.6195 -6.6195 -6.6114 -6.6114 -6.4872 -6.4872 -6.4797 -6.4797 -5.4702 -5.4702 -5.4661 -5.4661 -2.7355 -2.7354 -2.7335 -2.7335 -2.5438 -2.5438 -2.5318 -2.5318 -1.4137 -1.4137 -1.3991 -1.3991 -0.6645 -0.6645 -0.6577 -0.6577 5.8829 5.8829 5.8882 5.8882 7.2372 7.2372 7.2402 7.2402 k = 0.5000 0.4540 0.0962 ( 5390 PWs) bands (ev): -24.3942 -24.3942 -24.3942 -24.3942 -15.0585 -15.0585 -15.0585 -15.0585 -10.5338 -10.5338 -10.5332 -10.5332 -6.6148 -6.6148 -6.6067 -6.6067 -6.4884 -6.4884 -6.4810 -6.4810 -5.4728 -5.4728 -5.4687 -5.4687 -2.7372 -2.7372 -2.7352 -2.7352 -2.5403 -2.5403 -2.5284 -2.5284 -1.4161 -1.4161 -1.4012 -1.4012 -0.6662 -0.6662 -0.6589 -0.6589 5.8811 5.8811 5.8864 5.8864 7.2339 7.2339 7.2371 7.2372 k = 0.5000 0.4591 0.0848 ( 5394 PWs) bands (ev): -24.3942 -24.3942 -24.3942 -24.3942 -15.0586 -15.0586 -15.0586 -15.0586 -10.5341 -10.5341 -10.5335 -10.5335 -6.6096 -6.6096 -6.6016 -6.6016 -6.4897 -6.4897 -6.4823 -6.4823 -5.4757 -5.4757 -5.4717 -5.4717 -2.7392 -2.7392 -2.7371 -2.7371 -2.5364 -2.5364 -2.5245 -2.5245 -1.4186 -1.4186 -1.4035 -1.4035 -0.6682 -0.6682 -0.6604 -0.6604 5.8790 5.8790 5.8844 5.8844 7.2302 7.2303 7.2337 7.2337 k = 0.5000 0.4642 0.0735 ( 5398 PWs) bands (ev): -24.3942 -24.3942 -24.3942 -24.3942 -15.0587 -15.0587 -15.0586 -15.0586 -10.5344 -10.5344 -10.5338 -10.5338 -6.6040 -6.6040 -6.5962 -6.5962 -6.4909 -6.4909 -6.4837 -6.4837 -5.4789 -5.4789 -5.4750 -5.4750 -2.7413 -2.7413 -2.7392 -2.7392 -2.5321 -2.5321 -2.5202 -2.5202 -1.4212 -1.4212 -1.4059 -1.4059 -0.6704 -0.6704 -0.6621 -0.6621 5.8768 5.8769 5.8823 5.8823 7.2262 7.2262 7.2298 7.2298 k = 0.5000 0.4694 0.0622 ( 5390 PWs) bands (ev): -24.3942 -24.3942 -24.3942 -24.3942 -15.0587 -15.0587 -15.0587 -15.0587 -10.5347 -10.5347 -10.5341 -10.5341 -6.5981 -6.5981 -6.5905 -6.5905 -6.4921 -6.4921 -6.4850 -6.4850 -5.4824 -5.4824 -5.4785 -5.4785 -2.7436 -2.7436 -2.7415 -2.7415 -2.5274 -2.5274 -2.5156 -2.5156 -1.4240 -1.4240 -1.4085 -1.4085 -0.6728 -0.6728 -0.6641 -0.6641 5.8746 5.8746 5.8801 5.8801 7.2217 7.2217 7.2255 7.2255 k = 0.5000 0.4745 0.0509 ( 5392 PWs) bands (ev): -24.3942 -24.3942 -24.3942 -24.3942 -15.0588 -15.0588 -15.0588 -15.0588 -10.5349 -10.5349 -10.5344 -10.5344 -6.5920 -6.5920 -6.5846 -6.5846 -6.4932 -6.4932 -6.4864 -6.4864 -5.4861 -5.4861 -5.4823 -5.4823 -2.7461 -2.7461 -2.7440 -2.7440 -2.5224 -2.5224 -2.5107 -2.5107 -1.4269 -1.4269 -1.4112 -1.4112 -0.6755 -0.6755 -0.6664 -0.6664 5.8722 5.8722 5.8778 5.8778 7.2168 7.2169 7.2208 7.2208 k = 0.5000 0.4745 0.0509 ( 5392 PWs) bands (ev): -24.3942 -24.3942 -24.3942 -24.3942 -15.0588 -15.0588 -15.0588 -15.0588 -10.5349 -10.5349 -10.5344 -10.5344 -6.5920 -6.5920 -6.5846 -6.5846 -6.4932 -6.4932 -6.4864 -6.4864 -5.4861 -5.4861 -5.4823 -5.4823 -2.7461 -2.7461 -2.7440 -2.7440 -2.5224 -2.5224 -2.5107 -2.5107 -1.4269 -1.4269 -1.4112 -1.4112 -0.6755 -0.6755 -0.6664 -0.6664 5.8722 5.8722 5.8778 5.8778 7.2168 7.2169 7.2208 7.2208 k = 0.5000 0.4704 0.0384 ( 5400 PWs) bands (ev): -24.3942 -24.3942 -24.3942 -24.3942 -15.0584 -15.0584 -15.0583 -15.0583 -10.5369 -10.5369 -10.5363 -10.5363 -6.5883 -6.5883 -6.5810 -6.5810 -6.4935 -6.4935 -6.4868 -6.4868 -5.4893 -5.4893 -5.4857 -5.4857 -2.7475 -2.7475 -2.7452 -2.7452 -2.5164 -2.5164 -2.5048 -2.5048 -1.4294 -1.4294 -1.4141 -1.4141 -0.6727 -0.6727 -0.6636 -0.6636 5.8722 5.8722 5.8776 5.8776 7.2002 7.2002 7.2041 7.2041 k = 0.5000 0.4663 0.0260 ( 5404 PWs) bands (ev): -24.3942 -24.3942 -24.3942 -24.3942 -15.0580 -15.0580 -15.0579 -15.0579 -10.5388 -10.5388 -10.5383 -10.5383 -6.5849 -6.5849 -6.5778 -6.5778 -6.4932 -6.4932 -6.4867 -6.4867 -5.4928 -5.4928 -5.4893 -5.4893 -2.7490 -2.7490 -2.7466 -2.7466 -2.5098 -2.5098 -2.4982 -2.4982 -1.4322 -1.4322 -1.4175 -1.4175 -0.6700 -0.6700 -0.6610 -0.6610 5.8729 5.8729 5.8782 5.8782 7.1817 7.1818 7.1855 7.1855 k = 0.5000 0.4622 0.0135 ( 5404 PWs) bands (ev): -24.3942 -24.3942 -24.3942 -24.3942 -15.0575 -15.0575 -15.0575 -15.0575 -10.5407 -10.5407 -10.5402 -10.5402 -6.5818 -6.5818 -6.5749 -6.5749 -6.4924 -6.4924 -6.4861 -6.4861 -5.4966 -5.4966 -5.4932 -5.4932 -2.7507 -2.7507 -2.7480 -2.7480 -2.5026 -2.5026 -2.4912 -2.4912 -1.4354 -1.4354 -1.4213 -1.4213 -0.6676 -0.6676 -0.6587 -0.6587 5.8743 5.8743 5.8794 5.8794 7.1618 7.1618 7.1654 7.1654 k = 0.5000 0.4581 0.0011 ( 5404 PWs) bands (ev): -24.3942 -24.3942 -24.3942 -24.3942 -15.0571 -15.0571 -15.0571 -15.0571 -10.5426 -10.5426 -10.5421 -10.5421 -6.5792 -6.5792 -6.5725 -6.5725 -6.4910 -6.4910 -6.4849 -6.4848 -5.5005 -5.5005 -5.4973 -5.4973 -2.7524 -2.7524 -2.7495 -2.7495 -2.4949 -2.4949 -2.4838 -2.4838 -1.4387 -1.4387 -1.4253 -1.4253 -0.6653 -0.6653 -0.6566 -0.6566 5.8764 5.8764 5.8813 5.8813 7.1407 7.1408 7.1442 7.1442 k = 0.5000 0.4540-0.0114 ( 5410 PWs) bands (ev): -24.3942 -24.3942 -24.3942 -24.3942 -15.0568 -15.0568 -15.0567 -15.0567 -10.5444 -10.5444 -10.5439 -10.5439 -6.5771 -6.5771 -6.5706 -6.5706 -6.4890 -6.4890 -6.4831 -6.4831 -5.5045 -5.5045 -5.5015 -5.5015 -2.7541 -2.7541 -2.7510 -2.7510 -2.4870 -2.4870 -2.4762 -2.4762 -1.4422 -1.4422 -1.4296 -1.4296 -0.6633 -0.6633 -0.6546 -0.6546 5.8790 5.8790 5.8837 5.8837 7.1191 7.1191 7.1224 7.1224 k = 0.5000 0.4499-0.0238 ( 5406 PWs) bands (ev): -24.3942 -24.3942 -24.3942 -24.3942 -15.0564 -15.0564 -15.0564 -15.0564 -10.5460 -10.5460 -10.5456 -10.5456 -6.5755 -6.5755 -6.5692 -6.5691 -6.4866 -6.4866 -6.4809 -6.4809 -5.5085 -5.5085 -5.5056 -5.5056 -2.7557 -2.7557 -2.7526 -2.7526 -2.4789 -2.4789 -2.4686 -2.4686 -1.4458 -1.4458 -1.4341 -1.4341 -0.6614 -0.6614 -0.6529 -0.6528 5.8821 5.8821 5.8866 5.8866 7.0973 7.0974 7.1005 7.1005 k = 0.5000 0.4458-0.0363 ( 5412 PWs) bands (ev): -24.3942 -24.3942 -24.3942 -24.3942 -15.0561 -15.0561 -15.0560 -15.0560 -10.5476 -10.5476 -10.5472 -10.5472 -6.5743 -6.5743 -6.5682 -6.5682 -6.4839 -6.4839 -6.4783 -6.4783 -5.5124 -5.5124 -5.5097 -5.5097 -2.7574 -2.7573 -2.7541 -2.7541 -2.4710 -2.4710 -2.4612 -2.4612 -1.4493 -1.4493 -1.4386 -1.4385 -0.6597 -0.6597 -0.6513 -0.6513 5.8855 5.8855 5.8898 5.8898 7.0760 7.0760 7.0790 7.0790 k = 0.5000 0.4417-0.0487 ( 5412 PWs) bands (ev): -24.3942 -24.3942 -24.3942 -24.3942 -15.0558 -15.0558 -15.0557 -15.0557 -10.5491 -10.5491 -10.5487 -10.5487 -6.5736 -6.5736 -6.5676 -6.5676 -6.4809 -6.4809 -6.4756 -6.4756 -5.5161 -5.5161 -5.5136 -5.5136 -2.7589 -2.7589 -2.7555 -2.7555 -2.4633 -2.4633 -2.4542 -2.4542 -1.4526 -1.4526 -1.4430 -1.4430 -0.6582 -0.6582 -0.6499 -0.6499 5.8891 5.8892 5.8932 5.8932 7.0556 7.0556 7.0584 7.0584 k = 0.5000 0.4376-0.0612 ( 5404 PWs) bands (ev): -24.3942 -24.3942 -24.3942 -24.3942 -15.0555 -15.0555 -15.0555 -15.0555 -10.5503 -10.5503 -10.5500 -10.5500 -6.5732 -6.5732 -6.5673 -6.5673 -6.4780 -6.4780 -6.4728 -6.4728 -5.5195 -5.5195 -5.5171 -5.5171 -2.7602 -2.7602 -2.7569 -2.7569 -2.4562 -2.4562 -2.4476 -2.4476 -1.4557 -1.4557 -1.4472 -1.4472 -0.6570 -0.6569 -0.6487 -0.6487 5.8928 5.8928 5.8967 5.8967 7.0366 7.0366 7.0392 7.0392 k = 0.5000 0.4335-0.0736 ( 5402 PWs) bands (ev): -24.3942 -24.3942 -24.3942 -24.3942 -15.0552 -15.0552 -15.0552 -15.0552 -10.5515 -10.5515 -10.5511 -10.5511 -6.5730 -6.5730 -6.5672 -6.5672 -6.4752 -6.4752 -6.4702 -6.4702 -5.5225 -5.5225 -5.5203 -5.5203 -2.7615 -2.7615 -2.7580 -2.7580 -2.4497 -2.4497 -2.4418 -2.4418 -1.4584 -1.4584 -1.4512 -1.4512 -0.6559 -0.6558 -0.6477 -0.6477 5.8964 5.8964 5.9000 5.9000 7.0196 7.0196 7.0220 7.0220 k = 0.5000 0.4294-0.0861 ( 5400 PWs) bands (ev): -24.3942 -24.3942 -24.3942 -24.3942 -15.0550 -15.0550 -15.0550 -15.0550 -10.5524 -10.5524 -10.5521 -10.5521 -6.5729 -6.5729 -6.5672 -6.5672 -6.4727 -6.4727 -6.4678 -6.4678 -5.5251 -5.5251 -5.5231 -5.5231 -2.7625 -2.7625 -2.7591 -2.7590 -2.4441 -2.4441 -2.4368 -2.4368 -1.4606 -1.4606 -1.4548 -1.4548 -0.6549 -0.6549 -0.6469 -0.6469 5.8996 5.8996 5.9030 5.9031 7.0049 7.0049 7.0072 7.0072 k = 0.5000 0.4254-0.0985 ( 5402 PWs) bands (ev): -24.3942 -24.3942 -24.3942 -24.3942 -15.0549 -15.0549 -15.0549 -15.0549 -10.5531 -10.5531 -10.5528 -10.5528 -6.5729 -6.5729 -6.5673 -6.5673 -6.4706 -6.4706 -6.4658 -6.4658 -5.5272 -5.5272 -5.5253 -5.5253 -2.7633 -2.7633 -2.7599 -2.7599 -2.4395 -2.4395 -2.4329 -2.4329 -1.4623 -1.4623 -1.4579 -1.4579 -0.6542 -0.6542 -0.6462 -0.6462 5.9024 5.9024 5.9056 5.9056 6.9930 6.9931 6.9953 6.9953 k = 0.5000 0.4213-0.1110 ( 5398 PWs) bands (ev): -24.3942 -24.3942 -24.3942 -24.3942 -15.0548 -15.0548 -15.0547 -15.0547 -10.5537 -10.5537 -10.5534 -10.5534 -6.5730 -6.5730 -6.5674 -6.5674 -6.4690 -6.4690 -6.4643 -6.4643 -5.5287 -5.5287 -5.5269 -5.5269 -2.7639 -2.7639 -2.7605 -2.7605 -2.4361 -2.4361 -2.4300 -2.4300 -1.4634 -1.4634 -1.4604 -1.4604 -0.6537 -0.6537 -0.6457 -0.6457 5.9045 5.9045 5.9076 5.9076 6.9843 6.9843 6.9864 6.9865 k = 0.5000 0.4172-0.1234 ( 5402 PWs) bands (ev): -24.3942 -24.3942 -24.3942 -24.3942 -15.0547 -15.0547 -15.0547 -15.0547 -10.5540 -10.5540 -10.5537 -10.5537 -6.5730 -6.5730 -6.5675 -6.5675 -6.4680 -6.4680 -6.4634 -6.4634 -5.5296 -5.5296 -5.5279 -5.5279 -2.7643 -2.7643 -2.7608 -2.7608 -2.4340 -2.4340 -2.4282 -2.4282 -1.4637 -1.4637 -1.4622 -1.4622 -0.6534 -0.6534 -0.6455 -0.6455 5.9058 5.9058 5.9088 5.9088 6.9790 6.9790 6.9811 6.9811 k = 0.5000 0.4131-0.1358 ( 5408 PWs) bands (ev): -24.3942 -24.3942 -24.3942 -24.3942 -15.0547 -15.0547 -15.0547 -15.0547 -10.5541 -10.5541 -10.5538 -10.5538 -6.5731 -6.5731 -6.5675 -6.5675 -6.4677 -6.4677 -6.4631 -6.4631 -5.5300 -5.5300 -5.5283 -5.5283 -2.7644 -2.7644 -2.7609 -2.7609 -2.4333 -2.4333 -2.4276 -2.4276 -1.4635 -1.4635 -1.4631 -1.4631 -0.6533 -0.6533 -0.6454 -0.6454 5.9062 5.9062 5.9092 5.9092 6.9772 6.9772 6.9792 6.9792 k = 0.5000 0.4131-0.1358 ( 5408 PWs) bands (ev): -24.3942 -24.3942 -24.3942 -24.3942 -15.0547 -15.0547 -15.0547 -15.0547 -10.5541 -10.5541 -10.5538 -10.5538 -6.5731 -6.5731 -6.5675 -6.5675 -6.4677 -6.4677 -6.4631 -6.4631 -5.5300 -5.5300 -5.5283 -5.5283 -2.7644 -2.7644 -2.7609 -2.7609 -2.4333 -2.4333 -2.4276 -2.4276 -1.4635 -1.4635 -1.4631 -1.4631 -0.6533 -0.6533 -0.6454 -0.6454 5.9062 5.9062 5.9092 5.9092 6.9772 6.9772 6.9792 6.9792 k = 0.4868 0.4131-0.1358 ( 5402 PWs) bands (ev): -24.3946 -24.3946 -24.3938 -24.3938 -15.0562 -15.0561 -15.0534 -15.0533 -10.5616 -10.5613 -10.5462 -10.5459 -6.5785 -6.5730 -6.5697 -6.5644 -6.4693 -6.4651 -6.4630 -6.4583 -5.5323 -5.5307 -5.5274 -5.5257 -2.7690 -2.7656 -2.7599 -2.7564 -2.4390 -2.4333 -2.4280 -2.4223 -1.4727 -1.4726 -1.4539 -1.4532 -0.6562 -0.6509 -0.6479 -0.6433 5.8868 5.8898 5.9246 5.9275 6.9735 6.9754 6.9812 6.9834 k = 0.4737 0.4131-0.1358 ( 5410 PWs) bands (ev): -24.3951 -24.3951 -24.3935 -24.3935 -15.0579 -15.0578 -15.0522 -15.0522 -10.5688 -10.5685 -10.5380 -10.5377 -6.5857 -6.5804 -6.5683 -6.5636 -6.4677 -6.4641 -6.4555 -6.4510 -5.5344 -5.5329 -5.5247 -5.5228 -2.7737 -2.7704 -2.7555 -2.7519 -2.4450 -2.4394 -2.4231 -2.4175 -1.4817 -1.4812 -1.4440 -1.4429 -0.6595 -0.6508 -0.6488 -0.6416 5.8665 5.8695 5.9418 5.9447 6.9703 6.9720 6.9854 6.9877 k = 0.4605 0.4131-0.1358 ( 5410 PWs) bands (ev): -24.3956 -24.3956 -24.3932 -24.3932 -15.0597 -15.0597 -15.0513 -15.0513 -10.5756 -10.5753 -10.5294 -10.5291 -6.5943 -6.5894 -6.5687 -6.5648 -6.4633 -6.4606 -6.4457 -6.4415 -5.5362 -5.5349 -5.5217 -5.5198 -2.7785 -2.7752 -2.7513 -2.7476 -2.4512 -2.4458 -2.4187 -2.4132 -1.4902 -1.4891 -1.4338 -1.4323 -0.6633 -0.6542 -0.6472 -0.6403 5.8453 5.8484 5.9579 5.9607 6.9677 6.9692 6.9895 6.9919 k = 0.4474 0.4131-0.1358 ( 5404 PWs) bands (ev): -24.3961 -24.3961 -24.3929 -24.3929 -15.0618 -15.0618 -15.0506 -15.0506 -10.5820 -10.5818 -10.5205 -10.5202 -6.6040 -6.5995 -6.5703 -6.5672 -6.4569 -6.4550 -6.4341 -6.4303 -5.5379 -5.5366 -5.5185 -5.5165 -2.7833 -2.7800 -2.7473 -2.7434 -2.4576 -2.4524 -2.4149 -2.4095 -1.4980 -1.4963 -1.4233 -1.4216 -0.6674 -0.6579 -0.6459 -0.6394 5.8235 5.8266 5.9727 5.9755 6.9659 6.9673 6.9933 6.9960 k = 0.4342 0.4131-0.1358 ( 5398 PWs) bands (ev): -24.3966 -24.3966 -24.3926 -24.3926 -15.0640 -15.0640 -15.0501 -15.0500 -10.5881 -10.5879 -10.5113 -10.5110 -6.6144 -6.6103 -6.5725 -6.5702 -6.4490 -6.4480 -6.4210 -6.4175 -5.5393 -5.5381 -5.5151 -5.5131 -2.7882 -2.7850 -2.7436 -2.7396 -2.4641 -2.4591 -2.4116 -2.4065 -1.5050 -1.5027 -1.4127 -1.4107 -0.6720 -0.6621 -0.6450 -0.6389 5.8011 5.8042 5.9863 5.9890 6.9651 6.9663 6.9968 6.9995 k = 0.4211 0.4131-0.1358 ( 5392 PWs) bands (ev): -24.3972 -24.3972 -24.3924 -24.3924 -15.0664 -15.0663 -15.0497 -15.0497 -10.5938 -10.5936 -10.5017 -10.5014 -6.6254 -6.6217 -6.5749 -6.5732 -6.4402 -6.4399 -6.4066 -6.4035 -5.5404 -5.5394 -5.5115 -5.5095 -2.7933 -2.7900 -2.7403 -2.7361 -2.4706 -2.4658 -2.4090 -2.4041 -1.5111 -1.5082 -1.4021 -1.3998 -0.6769 -0.6666 -0.6445 -0.6387 5.7783 5.7813 5.9986 6.0012 6.9653 6.9663 6.9997 7.0025 k = 0.4079 0.4131-0.1358 ( 5394 PWs) bands (ev): -24.3978 -24.3978 -24.3922 -24.3922 -15.0689 -15.0689 -15.0495 -15.0495 -10.5992 -10.5990 -10.4919 -10.4916 -6.6369 -6.6335 -6.5772 -6.5760 -6.4313 -6.4309 -6.3911 -6.3883 -5.5414 -5.5405 -5.5078 -5.5057 -2.7984 -2.7952 -2.7374 -2.7330 -2.4769 -2.4725 -2.4069 -2.4023 -1.5163 -1.5127 -1.3914 -1.3889 -0.6823 -0.6716 -0.6443 -0.6388 5.7551 5.7582 6.0097 6.0122 6.9667 6.9675 7.0018 7.0048 k = 0.3947 0.4131-0.1358 ( 5394 PWs) bands (ev): -24.3984 -24.3984 -24.3921 -24.3921 -15.0716 -15.0716 -15.0495 -15.0495 -10.6043 -10.6040 -10.4819 -10.4816 -6.6486 -6.6455 -6.5790 -6.5783 -6.4222 -6.4213 -6.3747 -6.3721 -5.5421 -5.5413 -5.5039 -5.5017 -2.8038 -2.8005 -2.7352 -2.7306 -2.4831 -2.4791 -2.4056 -2.4013 -1.5204 -1.5161 -1.3807 -1.3781 -0.6879 -0.6769 -0.6445 -0.6392 5.7319 5.7349 6.0195 6.0219 6.9694 6.9700 7.0030 7.0060 k = 0.3816 0.4131-0.1358 ( 5386 PWs) bands (ev): -24.3991 -24.3991 -24.3920 -24.3919 -15.0744 -15.0743 -15.0497 -15.0497 -10.6090 -10.6087 -10.4716 -10.4713 -6.6606 -6.6578 -6.5803 -6.5800 -6.4130 -6.4116 -6.3574 -6.3551 -5.5425 -5.5420 -5.4998 -5.4977 -2.8093 -2.8060 -2.7336 -2.7288 -2.4889 -2.4853 -2.4049 -2.4010 -1.5235 -1.5185 -1.3701 -1.3673 -0.6939 -0.6825 -0.6449 -0.6400 5.7086 5.7117 6.0282 6.0304 6.9734 6.9737 7.0030 7.0062 k = 0.3684 0.4131-0.1358 ( 5380 PWs) bands (ev): -24.3997 -24.3997 -24.3919 -24.3919 -15.0773 -15.0773 -15.0501 -15.0500 -10.6134 -10.6131 -10.4611 -10.4608 -6.6728 -6.6702 -6.5810 -6.5809 -6.4038 -6.4018 -6.3393 -6.3373 -5.5427 -5.5424 -5.4956 -5.4934 -2.8151 -2.8118 -2.7329 -2.7279 -2.4942 -2.4911 -2.4049 -2.4013 -1.5254 -1.5196 -1.3596 -1.3567 -0.7003 -0.6884 -0.6456 -0.6409 5.6856 5.6886 6.0358 6.0379 6.9788 6.9789 7.0018 7.0050 k = 0.3553 0.4131-0.1358 ( 5384 PWs) bands (ev): -24.4004 -24.4004 -24.3918 -24.3918 -15.0803 -15.0803 -15.0505 -15.0505 -10.6175 -10.6172 -10.4504 -10.4501 -6.6850 -6.6827 -6.5813 -6.5808 -6.3946 -6.3922 -6.3206 -6.3188 -5.5427 -5.5425 -5.4913 -5.4891 -2.8211 -2.8179 -2.7333 -2.7279 -2.4990 -2.4963 -2.4056 -2.4024 -1.5261 -1.5196 -1.3492 -1.3463 -0.7069 -0.6947 -0.6465 -0.6421 5.6628 5.6657 6.0423 6.0442 6.9855 6.9856 6.9990 7.0023 k = 0.3421 0.4131-0.1358 ( 5386 PWs) bands (ev): -24.4011 -24.4011 -24.3918 -24.3918 -15.0834 -15.0834 -15.0512 -15.0512 -10.6213 -10.6210 -10.4396 -10.4393 -6.6973 -6.6951 -6.5807 -6.5799 -6.3855 -6.3827 -6.3014 -6.2997 -5.5425 -5.5425 -5.4868 -5.4846 -2.8275 -2.8243 -2.7347 -2.7292 -2.5030 -2.5008 -2.4069 -2.4041 -1.5256 -1.5184 -1.3391 -1.3361 -0.7137 -0.7012 -0.6475 -0.6434 5.6404 5.6433 6.0478 6.0496 6.9931 6.9932 6.9955 6.9983 k = 0.3289 0.4131-0.1358 ( 5384 PWs) bands (ev): -24.4018 -24.4018 -24.3918 -24.3918 -15.0866 -15.0866 -15.0519 -15.0519 -10.6248 -10.6245 -10.4287 -10.4284 -6.7095 -6.7075 -6.5794 -6.5783 -6.3766 -6.3733 -6.2817 -6.2802 -5.5422 -5.5421 -5.4823 -5.4801 -2.8343 -2.8310 -2.7374 -2.7316 -2.5062 -2.5045 -2.4088 -2.4064 -1.5239 -1.5159 -1.3291 -1.3261 -0.7208 -0.7079 -0.6488 -0.6449 5.6186 5.6215 6.0525 6.0542 6.9880 6.9912 7.0034 7.0039 k = 0.3158 0.4131-0.1358 ( 5392 PWs) bands (ev): -24.4025 -24.4025 -24.3918 -24.3918 -15.0898 -15.0898 -15.0528 -15.0528 -10.6280 -10.6278 -10.4178 -10.4175 -6.7217 -6.7198 -6.5774 -6.5759 -6.3679 -6.3642 -6.2616 -6.2602 -5.5417 -5.5414 -5.4777 -5.4755 -2.8415 -2.8382 -2.7413 -2.7354 -2.5086 -2.5072 -2.4112 -2.4092 -1.5209 -1.5122 -1.3194 -1.3163 -0.7281 -0.7149 -0.6502 -0.6466 5.5974 5.6003 6.0564 6.0579 6.9797 6.9829 7.0143 7.0150 k = 0.3026 0.4131-0.1358 ( 5392 PWs) bands (ev): -24.4032 -24.4032 -24.3919 -24.3919 -15.0931 -15.0931 -15.0538 -15.0538 -10.6310 -10.6308 -10.4068 -10.4065 -6.7337 -6.7320 -6.5746 -6.5729 -6.3595 -6.3554 -6.2412 -6.2399 -5.5410 -5.5405 -5.4731 -5.4709 -2.8491 -2.8459 -2.7466 -2.7406 -2.5100 -2.5091 -2.4142 -2.4125 -1.5167 -1.5074 -1.3099 -1.3068 -0.7355 -0.7220 -0.6516 -0.6483 5.5770 5.5798 6.0597 6.0610 6.9691 6.9723 7.0267 7.0276 k = 0.2895 0.4131-0.1358 ( 5392 PWs) bands (ev): -24.4039 -24.4039 -24.3919 -24.3919 -15.0964 -15.0964 -15.0549 -15.0548 -10.6338 -10.6336 -10.3958 -10.3955 -6.7456 -6.7441 -6.5711 -6.5691 -6.3513 -6.3469 -6.2206 -6.2194 -5.5400 -5.5394 -5.4684 -5.4662 -2.8572 -2.8540 -2.7532 -2.7471 -2.5106 -2.5100 -2.4175 -2.4161 -1.5114 -1.5014 -1.3006 -1.2976 -0.7430 -0.7293 -0.6531 -0.6500 5.5574 5.5601 6.0624 6.0636 6.9561 6.9593 7.0404 7.0416 k = 0.2763 0.4131-0.1358 ( 5396 PWs) bands (ev): -24.4046 -24.4046 -24.3920 -24.3920 -15.0997 -15.0997 -15.0560 -15.0560 -10.6363 -10.6361 -10.3849 -10.3846 -6.7573 -6.7559 -6.5670 -6.5647 -6.3435 -6.3387 -6.1998 -6.1987 -5.5389 -5.5380 -5.4637 -5.4615 -2.8659 -2.8626 -2.7610 -2.7549 -2.5103 -2.5101 -2.4211 -2.4201 -1.5049 -1.4944 -1.2917 -1.2887 -0.7506 -0.7366 -0.6547 -0.6518 5.5387 5.5414 6.0646 6.0657 6.9406 6.9438 7.0555 7.0569 k = 0.2632 0.4131-0.1358 ( 5394 PWs) bands (ev): -24.4053 -24.4053 -24.3921 -24.3921 -15.1030 -15.1030 -15.0572 -15.0572 -10.6387 -10.6385 -10.3741 -10.3738 -6.7687 -6.7674 -6.5623 -6.5597 -6.3360 -6.3309 -6.1790 -6.1780 -5.5375 -5.5365 -5.4590 -5.4568 -2.8750 -2.8718 -2.7700 -2.7639 -2.5094 -2.5093 -2.4250 -2.4242 -1.4974 -1.4864 -1.2830 -1.2801 -0.7582 -0.7441 -0.6562 -0.6535 5.5209 5.5236 6.0665 6.0675 6.9226 6.9257 7.0718 7.0735 k = 0.2500 0.4131-0.1358 ( 5402 PWs) bands (ev): -24.4060 -24.4060 -24.3922 -24.3922 -15.1063 -15.1062 -15.0585 -15.0585 -10.6408 -10.6406 -10.3634 -10.3632 -6.7799 -6.7787 -6.5570 -6.5542 -6.3289 -6.3234 -6.1583 -6.1574 -5.5359 -5.5348 -5.4543 -5.4521 -2.8846 -2.8814 -2.7799 -2.7740 -2.5079 -2.5077 -2.4290 -2.4285 -1.4890 -1.4775 -1.2746 -1.2717 -0.7659 -0.7516 -0.6578 -0.6553 5.5042 5.5067 6.0682 6.0691 6.9021 6.9052 7.0894 7.0912 k = 0.2368 0.4131-0.1358 ( 5404 PWs) bands (ev): -24.4067 -24.4067 -24.3924 -24.3924 -15.1095 -15.1095 -15.0598 -15.0598 -10.6427 -10.6426 -10.3530 -10.3527 -6.7908 -6.7896 -6.5512 -6.5482 -6.3221 -6.3164 -6.1378 -6.1369 -5.5342 -5.5329 -5.4496 -5.4475 -2.8946 -2.8915 -2.7908 -2.7850 -2.5060 -2.5055 -2.4332 -2.4328 -1.4798 -1.4678 -1.2665 -1.2637 -0.7735 -0.7591 -0.6593 -0.6570 5.4885 5.4909 6.0698 6.0704 6.8793 6.8822 7.1079 7.1099 k = 0.2237 0.4131-0.1358 ( 5402 PWs) bands (ev): -24.4074 -24.4074 -24.3925 -24.3925 -15.1126 -15.1126 -15.0611 -15.0611 -10.6445 -10.6444 -10.3428 -10.3425 -6.8013 -6.8002 -6.5451 -6.5418 -6.3158 -6.3098 -6.1175 -6.1167 -5.5322 -5.5308 -5.4450 -5.4429 -2.9051 -2.9021 -2.8023 -2.7967 -2.5035 -2.5029 -2.4373 -2.4371 -1.4698 -1.4575 -1.2588 -1.2560 -0.7810 -0.7666 -0.6607 -0.6586 5.4738 5.4761 6.0712 6.0718 6.8542 6.8570 7.1275 7.1296 k = 0.2105 0.4131-0.1358 ( 5402 PWs) bands (ev): -24.4080 -24.4080 -24.3927 -24.3927 -15.1157 -15.1157 -15.0625 -15.0625 -10.6461 -10.6460 -10.3328 -10.3326 -6.8114 -6.8104 -6.5385 -6.5351 -6.3098 -6.3036 -6.0976 -6.0969 -5.5301 -5.5286 -5.4405 -5.4384 -2.9159 -2.9130 -2.8143 -2.8089 -2.5008 -2.5000 -2.4413 -2.4413 -1.4592 -1.4467 -1.2513 -1.2486 -0.7884 -0.7740 -0.6621 -0.6601 5.4601 5.4624 6.0726 6.0731 6.8273 6.8299 7.1479 7.1501 k = 0.1974 0.4131-0.1358 ( 5404 PWs) bands (ev): -24.4087 -24.4087 -24.3928 -24.3928 -15.1187 -15.1187 -15.0638 -15.0638 -10.6476 -10.6475 -10.3232 -10.3230 -6.8211 -6.8202 -6.5318 -6.5282 -6.3043 -6.2980 -6.0782 -6.0775 -5.5278 -5.5262 -5.4360 -5.4340 -2.9270 -2.9242 -2.8267 -2.8216 -2.4978 -2.4970 -2.4453 -2.4452 -1.4481 -1.4355 -1.2442 -1.2416 -0.7956 -0.7814 -0.6634 -0.6616 5.4475 5.4497 6.0741 6.0744 6.7987 6.8013 7.1689 7.1712 k = 0.1842 0.4131-0.1358 ( 5398 PWs) bands (ev): -24.4093 -24.4093 -24.3930 -24.3930 -15.1216 -15.1216 -15.0651 -15.0651 -10.6489 -10.6488 -10.3140 -10.3137 -6.8303 -6.8295 -6.5248 -6.5211 -6.2992 -6.2928 -6.0594 -6.0587 -5.5254 -5.5238 -5.4317 -5.4298 -2.9383 -2.9356 -2.8392 -2.8345 -2.4947 -2.4938 -2.4491 -2.4490 -1.4367 -1.4241 -1.2374 -1.2349 -0.8026 -0.7885 -0.6645 -0.6629 5.4360 5.4380 6.0756 6.0758 6.7690 6.7714 7.1905 7.1928 k = 0.1711 0.4131-0.1358 ( 5394 PWs) bands (ev): -24.4099 -24.4099 -24.3931 -24.3931 -15.1243 -15.1243 -15.0664 -15.0664 -10.6501 -10.6500 -10.3051 -10.3049 -6.8391 -6.8383 -6.5177 -6.5139 -6.2946 -6.2880 -6.0412 -6.0406 -5.5229 -5.5212 -5.4275 -5.4256 -2.9496 -2.9470 -2.8518 -2.8474 -2.4916 -2.4906 -2.4526 -2.4525 -1.4252 -1.4126 -1.2310 -1.2286 -0.8093 -0.7956 -0.6656 -0.6641 5.4254 5.4273 6.0772 6.0774 6.7385 6.7408 7.2123 7.2147 k = 0.1579 0.4131-0.1358 ( 5400 PWs) bands (ev): -24.4104 -24.4104 -24.3933 -24.3933 -15.1269 -15.1269 -15.0677 -15.0677 -10.6512 -10.6511 -10.2968 -10.2966 -6.8473 -6.8466 -6.5106 -6.5068 -6.2903 -6.2838 -6.0239 -6.0233 -5.5204 -5.5187 -5.4234 -5.4217 -2.9609 -2.9585 -2.8643 -2.8601 -2.4885 -2.4874 -2.4558 -2.4558 -1.4135 -1.4012 -1.2249 -1.2227 -0.8158 -0.8024 -0.6666 -0.6653 5.4158 5.4176 6.0790 6.0790 6.7078 6.7099 7.2343 7.2367 k = 0.1447 0.4131-0.1358 ( 5396 PWs) bands (ev): -24.4109 -24.4109 -24.3934 -24.3934 -15.1294 -15.1294 -15.0689 -15.0689 -10.6522 -10.6521 -10.2889 -10.2888 -6.8550 -6.8544 -6.5036 -6.4997 -6.2865 -6.2801 -6.0075 -6.0069 -5.5178 -5.5161 -5.4196 -5.4179 -2.9720 -2.9697 -2.8764 -2.8726 -2.4856 -2.4843 -2.4588 -2.4587 -1.4020 -1.3899 -1.2193 -1.2171 -0.8219 -0.8090 -0.6675 -0.6663 5.4072 5.4089 6.0808 6.0808 6.6773 6.6793 7.2562 7.2586 k = 0.1316 0.4131-0.1358 ( 5398 PWs) bands (ev): -24.4114 -24.4114 -24.3936 -24.3936 -15.1317 -15.1316 -15.0700 -15.0700 -10.6530 -10.6529 -10.2816 -10.2815 -6.8621 -6.8615 -6.4968 -6.4929 -6.2831 -6.2769 -5.9921 -5.9915 -5.5152 -5.5136 -5.4159 -5.4144 -2.9828 -2.9807 -2.8881 -2.8847 -2.4828 -2.4814 -2.4615 -2.4613 -1.3908 -1.3791 -1.2140 -1.2120 -0.8276 -0.8153 -0.6682 -0.6672 5.3995 5.4010 6.0826 6.0828 6.6475 6.6494 7.2777 7.2801 k = 0.1184 0.4131-0.1358 ( 5400 PWs) bands (ev): -24.4118 -24.4118 -24.3937 -24.3937 -15.1338 -15.1338 -15.0711 -15.0711 -10.6538 -10.6537 -10.2749 -10.2747 -6.8686 -6.8681 -6.4901 -6.4864 -6.2801 -6.2741 -5.9778 -5.9773 -5.5127 -5.5111 -5.4125 -5.4111 -2.9931 -2.9911 -2.8992 -2.8961 -2.4803 -2.4788 -2.4639 -2.4634 -1.3799 -1.3689 -1.2091 -1.2073 -0.8329 -0.8214 -0.6689 -0.6680 5.3927 5.3941 6.0846 6.0848 6.6190 6.6207 7.2986 7.3009 k = 0.1053 0.4131-0.1358 ( 5404 PWs) bands (ev): -24.4122 -24.4122 -24.3938 -24.3938 -15.1357 -15.1357 -15.0721 -15.0721 -10.6544 -10.6544 -10.2688 -10.2686 -6.8745 -6.8741 -6.4839 -6.4803 -6.2775 -6.2718 -5.9647 -5.9643 -5.5103 -5.5088 -5.4093 -5.4080 -3.0027 -3.0010 -2.9096 -2.9068 -2.4783 -2.4765 -2.4658 -2.4651 -1.3696 -1.3593 -1.2047 -1.2030 -0.8377 -0.8270 -0.6695 -0.6686 5.3867 5.3879 6.0866 6.0868 6.5921 6.5937 7.3186 7.3207 k = 0.0921 0.4131-0.1358 ( 5398 PWs) bands (ev): -24.4126 -24.4126 -24.3939 -24.3939 -15.1374 -15.1374 -15.0729 -15.0729 -10.6550 -10.6549 -10.2633 -10.2632 -6.8797 -6.8794 -6.4780 -6.4747 -6.2752 -6.2700 -5.9529 -5.9526 -5.5080 -5.5066 -5.4064 -5.4053 -3.0116 -3.0101 -2.9191 -2.9166 -2.4767 -2.4747 -2.4672 -2.4662 -1.3600 -1.3505 -1.2007 -1.1992 -0.8420 -0.8322 -0.6699 -0.6692 5.3815 5.3826 6.0885 6.0888 6.5673 6.5687 7.3373 7.3392 k = 0.0789 0.4131-0.1358 ( 5406 PWs) bands (ev): -24.4129 -24.4129 -24.3940 -24.3940 -15.1389 -15.1389 -15.0737 -15.0737 -10.6555 -10.6555 -10.2585 -10.2584 -6.8843 -6.8840 -6.4727 -6.4697 -6.2732 -6.2685 -5.9426 -5.9422 -5.5059 -5.5046 -5.4039 -5.4028 -3.0197 -3.0183 -2.9275 -2.9254 -2.4759 -2.4738 -2.4678 -2.4666 -1.3512 -1.3427 -1.1972 -1.1959 -0.8457 -0.8370 -0.6703 -0.6697 5.3771 5.3781 6.0904 6.0907 6.5449 6.5462 7.3545 7.3562 k = 0.0658 0.4131-0.1358 ( 5406 PWs) bands (ev): -24.4132 -24.4132 -24.3941 -24.3941 -15.1402 -15.1402 -15.0744 -15.0744 -10.6559 -10.6559 -10.2543 -10.2543 -6.8882 -6.8880 -6.4680 -6.4654 -6.2715 -6.2674 -5.9336 -5.9334 -5.5040 -5.5029 -5.4016 -5.4007 -3.0267 -3.0255 -2.9349 -2.9331 -2.4756 -2.4739 -2.4674 -2.4664 -1.3434 -1.3360 -1.1942 -1.1931 -0.8488 -0.8413 -0.6706 -0.6702 5.3735 5.3743 6.0922 6.0925 6.5254 6.5265 7.3698 7.3713 k = 0.0526 0.4131-0.1358 ( 5396 PWs) bands (ev): -24.4134 -24.4134 -24.3942 -24.3942 -15.1412 -15.1412 -15.0749 -15.0749 -10.6562 -10.6562 -10.2509 -10.2509 -6.8915 -6.8912 -6.4640 -6.4617 -6.2701 -6.2667 -5.9262 -5.9260 -5.5023 -5.5015 -5.3997 -5.3990 -3.0325 -3.0316 -2.9410 -2.9396 -2.4758 -2.4745 -2.4665 -2.4658 -1.3366 -1.3306 -1.1917 -1.1908 -0.8512 -0.8450 -0.6709 -0.6705 5.3706 5.3712 6.0938 6.0940 6.5090 6.5100 7.3828 7.3841 k = 0.0395 0.4131-0.1358 ( 5394 PWs) bands (ev): -24.4136 -24.4136 -24.3943 -24.3943 -15.1421 -15.1421 -15.0754 -15.0754 -10.6565 -10.6565 -10.2483 -10.2482 -6.8940 -6.8938 -6.4607 -6.4589 -6.2689 -6.2663 -5.9204 -5.9202 -5.5010 -5.5003 -5.3982 -5.3976 -3.0372 -3.0365 -2.9458 -2.9448 -2.4760 -2.4751 -2.4656 -2.4652 -1.3310 -1.3264 -1.1897 -1.1890 -0.8529 -0.8482 -0.6710 -0.6708 5.3683 5.3688 6.0951 6.0953 6.4960 6.4967 7.3934 7.3943 k = 0.0263 0.4131-0.1358 ( 5402 PWs) bands (ev): -24.4137 -24.4137 -24.3943 -24.3943 -15.1427 -15.1427 -15.0757 -15.0757 -10.6567 -10.6567 -10.2464 -10.2463 -6.8957 -6.8956 -6.4582 -6.4570 -6.2679 -6.2662 -5.9162 -5.9161 -5.5000 -5.4996 -5.3971 -5.3967 -3.0405 -3.0400 -2.9492 -2.9485 -2.4763 -2.4757 -2.4649 -2.4646 -1.3268 -1.3236 -1.1883 -1.1878 -0.8539 -0.8507 -0.6712 -0.6710 5.3668 5.3671 6.0962 6.0963 6.4866 6.4871 7.4012 7.4018 k = 0.0132 0.4131-0.1358 ( 5398 PWs) bands (ev): -24.4138 -24.4138 -24.3943 -24.3943 -15.1430 -15.1430 -15.0759 -15.0759 -10.6568 -10.6568 -10.2452 -10.2452 -6.8968 -6.8968 -6.4565 -6.4559 -6.2672 -6.2663 -5.9137 -5.9136 -5.4993 -5.4991 -5.3964 -5.3962 -3.0425 -3.0422 -2.9513 -2.9509 -2.4764 -2.4761 -2.4644 -2.4643 -1.3238 -1.3223 -1.1873 -1.1871 -0.8542 -0.8526 -0.6712 -0.6711 5.3659 5.3661 6.0968 6.0969 6.4810 6.4812 7.4060 7.4064 k = 0.0000 0.4131-0.1358 ( 5394 PWs) bands (ev): -24.4138 -24.4138 -24.3943 -24.3943 -15.1431 -15.1431 -15.0760 -15.0760 -10.6568 -10.6568 -10.2448 -10.2448 -6.8972 -6.8972 -6.4558 -6.4558 -6.2666 -6.2666 -5.9128 -5.9128 -5.4990 -5.4990 -5.3961 -5.3961 -3.0430 -3.0430 -2.9518 -2.9518 -2.4763 -2.4763 -2.4642 -2.4642 -1.3223 -1.3223 -1.1869 -1.1869 -0.8537 -0.8537 -0.6712 -0.6712 5.3656 5.3656 6.0971 6.0971 6.4792 6.4792 7.4078 7.4078 k = 0.0000 0.4131-0.1358 ( 5394 PWs) bands (ev): -24.4138 -24.4138 -24.3943 -24.3943 -15.1431 -15.1431 -15.0760 -15.0760 -10.6568 -10.6568 -10.2448 -10.2448 -6.8972 -6.8972 -6.4558 -6.4558 -6.2666 -6.2666 -5.9128 -5.9128 -5.4990 -5.4990 -5.3961 -5.3961 -3.0430 -3.0430 -2.9518 -2.9518 -2.4763 -2.4763 -2.4642 -2.4642 -1.3223 -1.3223 -1.1869 -1.1869 -0.8537 -0.8537 -0.6712 -0.6712 5.3656 5.3656 6.0971 6.0971 6.4792 6.4792 7.4078 7.4078 k = 0.0000 0.4172-0.1234 ( 5396 PWs) bands (ev): -24.4138 -24.4138 -24.3943 -24.3943 -15.1433 -15.1433 -15.0759 -15.0759 -10.6562 -10.6562 -10.2454 -10.2453 -6.8968 -6.8967 -6.4556 -6.4554 -6.2670 -6.2667 -5.9130 -5.9127 -5.5023 -5.4996 -5.3959 -5.3933 -3.0436 -3.0421 -2.9516 -2.9501 -2.4860 -2.4791 -2.4625 -2.4556 -1.3229 -1.3227 -1.1872 -1.1866 -0.8544 -0.8530 -0.6718 -0.6710 5.3659 5.3663 6.0972 6.0974 6.4814 6.4814 7.4079 7.4086 k = 0.0000 0.4213-0.1110 ( 5392 PWs) bands (ev): -24.4139 -24.4139 -24.3942 -24.3942 -15.1436 -15.1436 -15.0757 -15.0757 -10.6544 -10.6544 -10.2470 -10.2470 -6.8956 -6.8956 -6.4549 -6.4545 -6.2678 -6.2672 -5.9131 -5.9125 -5.5089 -5.5039 -5.3929 -5.3883 -3.0438 -3.0409 -2.9496 -2.9465 -2.4979 -2.4906 -2.4543 -2.4468 -1.3246 -1.3242 -1.1874 -1.1862 -0.8551 -0.8523 -0.6729 -0.6712 5.3672 5.3679 6.0976 6.0980 6.4881 6.4882 7.4090 7.4103 k = 0.0000 0.4254-0.0985 ( 5394 PWs) bands (ev): -24.4141 -24.4141 -24.3940 -24.3940 -15.1442 -15.1442 -15.0753 -15.0753 -10.6514 -10.6513 -10.2497 -10.2497 -6.8938 -6.8936 -6.4536 -6.4531 -6.2690 -6.2682 -5.9133 -5.9124 -5.5180 -5.5113 -5.3878 -5.3818 -3.0435 -3.0393 -2.9456 -2.9412 -2.5109 -2.5036 -2.4466 -2.4390 -1.3271 -1.3266 -1.1875 -1.1858 -0.8557 -0.8516 -0.6744 -0.6719 5.3693 5.3703 6.0983 6.0989 6.4994 6.4996 7.4111 7.4130 k = 0.0000 0.4294-0.0861 ( 5383 PWs) bands (ev): -24.4144 -24.4144 -24.3937 -24.3937 -15.1450 -15.1450 -15.0748 -15.0748 -10.6472 -10.6471 -10.2535 -10.2534 -6.8911 -6.8909 -6.4518 -6.4512 -6.2706 -6.2696 -5.9135 -5.9123 -5.5288 -5.5210 -5.3814 -5.3745 -3.0426 -3.0373 -2.9399 -2.9343 -2.5250 -2.5177 -2.4399 -2.4322 -1.3306 -1.3301 -1.1873 -1.1854 -0.8562 -0.8509 -0.6764 -0.6730 5.3723 5.3737 6.0991 6.0998 6.5153 6.5157 7.4143 7.4167 k = 0.0000 0.4335-0.0736 ( 5378 PWs) bands (ev): -24.4147 -24.4147 -24.3934 -24.3934 -15.1460 -15.1460 -15.0742 -15.0742 -10.6418 -10.6417 -10.2583 -10.2582 -6.8877 -6.8875 -6.4496 -6.4489 -6.2727 -6.2714 -5.9137 -5.9122 -5.5406 -5.5322 -5.3743 -5.3669 -3.0411 -3.0348 -2.9326 -2.9260 -2.5399 -2.5327 -2.4342 -2.4265 -1.3350 -1.3345 -1.1870 -1.1850 -0.8567 -0.8503 -0.6787 -0.6746 5.3761 5.3778 6.0996 6.1005 6.5359 6.5364 7.4185 7.4215 k = 0.0000 0.4376-0.0612 ( 5374 PWs) bands (ev): -24.4151 -24.4151 -24.3930 -24.3930 -15.1472 -15.1471 -15.0736 -15.0735 -10.6353 -10.6353 -10.2641 -10.2640 -6.8837 -6.8835 -6.4469 -6.4461 -6.2751 -6.2736 -5.9139 -5.9122 -5.5532 -5.5444 -5.3670 -5.3595 -3.0389 -3.0319 -2.9237 -2.9164 -2.5557 -2.5486 -2.4296 -2.4219 -1.3402 -1.3397 -1.1865 -1.1846 -0.8571 -0.8496 -0.6815 -0.6766 5.3807 5.3826 6.0998 6.1007 6.5612 6.5619 7.4239 7.4273 k = 0.0000 0.4417-0.0487 ( 5373 PWs) bands (ev): -24.4155 -24.4155 -24.3926 -24.3926 -15.1485 -15.1484 -15.0728 -15.0728 -10.6278 -10.6277 -10.2709 -10.2708 -6.8790 -6.8787 -6.4438 -6.4430 -6.2778 -6.2762 -5.9141 -5.9122 -5.5661 -5.5571 -5.3599 -5.3524 -3.0360 -3.0284 -2.9136 -2.9056 -2.5723 -2.5653 -2.4260 -2.4183 -1.3463 -1.3456 -1.1857 -1.1841 -0.8574 -0.8490 -0.6847 -0.6791 5.3859 5.3881 6.0994 6.1004 6.5911 6.5919 7.4305 7.4343 k = 0.0000 0.4458-0.0363 ( 5373 PWs) bands (ev): -24.4160 -24.4159 -24.3921 -24.3921 -15.1499 -15.1499 -15.0720 -15.0719 -10.6192 -10.6191 -10.2786 -10.2784 -6.8737 -6.8734 -6.4404 -6.4396 -6.2809 -6.2792 -5.9143 -5.9122 -5.5791 -5.5700 -5.3532 -5.3457 -3.0324 -3.0244 -2.9023 -2.8939 -2.5896 -2.5826 -2.4234 -2.4158 -1.3533 -1.3521 -1.1848 -1.1836 -0.8576 -0.8485 -0.6883 -0.6819 5.3917 5.3941 6.0982 6.0993 6.6254 6.6265 7.4383 7.4425 k = 0.0000 0.4499-0.0238 ( 5376 PWs) bands (ev): -24.4165 -24.4165 -24.3916 -24.3916 -15.1514 -15.1514 -15.0711 -15.0711 -10.6097 -10.6096 -10.2871 -10.2870 -6.8679 -6.8676 -6.4368 -6.4360 -6.2842 -6.2824 -5.9145 -5.9123 -5.5919 -5.5830 -5.3469 -5.3397 -3.0281 -3.0197 -2.8901 -2.8814 -2.6073 -2.6004 -2.4217 -2.4142 -1.3609 -1.3591 -1.1837 -1.1829 -0.8577 -0.8480 -0.6923 -0.6852 5.3979 5.4005 6.0963 6.0974 6.6638 6.6651 7.4476 7.4520 k = 0.0000 0.4540-0.0114 ( 5384 PWs) bands (ev): -24.4170 -24.4170 -24.3911 -24.3911 -15.1530 -15.1530 -15.0702 -15.0702 -10.5992 -10.5991 -10.2964 -10.2963 -6.8616 -6.8612 -6.4330 -6.4323 -6.2878 -6.2860 -5.9148 -5.9124 -5.6045 -5.5957 -5.3413 -5.3344 -3.0230 -3.0144 -2.8771 -2.8683 -2.6256 -2.6187 -2.4210 -2.4136 -1.3691 -1.3666 -1.1830 -1.1815 -0.8576 -0.8475 -0.6966 -0.6889 5.4044 5.4072 6.0935 6.0946 6.7059 6.7076 7.4582 7.4628 k = 0.0000 0.4581 0.0011 ( 5384 PWs) bands (ev): -24.4176 -24.4176 -24.3905 -24.3905 -15.1547 -15.1546 -15.0693 -15.0692 -10.5880 -10.5878 -10.3064 -10.3063 -6.8548 -6.8545 -6.4291 -6.4285 -6.2914 -6.2896 -5.9151 -5.9127 -5.6165 -5.6080 -5.3363 -5.3298 -3.0173 -3.0086 -2.8637 -2.8548 -2.6440 -2.6371 -2.4212 -2.4138 -1.3777 -1.3745 -1.1823 -1.1798 -0.8573 -0.8470 -0.7013 -0.6930 5.4111 5.4141 6.0898 6.0909 6.7513 6.7533 7.4704 7.4750 k = 0.0000 0.4622 0.0135 ( 5390 PWs) bands (ev): -24.4182 -24.4182 -24.3899 -24.3899 -15.1564 -15.1563 -15.0684 -15.0683 -10.5760 -10.5758 -10.3171 -10.3169 -6.8478 -6.8474 -6.4253 -6.4249 -6.2951 -6.2934 -5.9155 -5.9129 -5.6278 -5.6197 -5.3321 -5.3260 -3.0111 -3.0023 -2.8499 -2.8412 -2.6624 -2.6555 -2.4220 -2.4148 -1.3866 -1.3827 -1.1817 -1.1777 -0.8569 -0.8466 -0.7064 -0.6975 5.4179 5.4210 6.0853 6.0864 6.7994 6.8017 7.4841 7.4887 k = 0.0000 0.4663 0.0260 ( 5388 PWs) bands (ev): -24.4188 -24.4188 -24.3892 -24.3892 -15.1580 -15.1580 -15.0675 -15.0675 -10.5634 -10.5632 -10.3282 -10.3280 -6.8405 -6.8401 -6.4218 -6.4214 -6.2988 -6.2971 -5.9159 -5.9133 -5.6384 -5.6306 -5.3285 -5.3230 -3.0043 -2.9956 -2.8363 -2.8280 -2.6805 -2.6735 -2.4236 -2.4165 -1.3957 -1.3910 -1.1810 -1.1755 -0.8563 -0.8461 -0.7118 -0.7024 5.4247 5.4278 6.0800 6.0811 6.8494 6.8521 7.4994 7.5039 k = 0.0000 0.4704 0.0384 ( 5388 PWs) bands (ev): -24.4195 -24.4195 -24.3886 -24.3886 -15.1597 -15.1596 -15.0667 -15.0666 -10.5503 -10.5501 -10.3398 -10.3396 -6.8330 -6.8325 -6.4187 -6.4182 -6.3024 -6.3008 -5.9163 -5.9137 -5.6478 -5.6406 -5.3257 -5.3207 -2.9971 -2.9886 -2.8232 -2.8157 -2.6977 -2.6904 -2.4257 -2.4187 -1.4049 -1.3994 -1.1803 -1.1731 -0.8555 -0.8457 -0.7174 -0.7077 5.4312 5.4345 6.0740 6.0751 6.9007 6.9037 7.5163 7.5205 k = 0.0000 0.4745 0.0509 ( 5390 PWs) bands (ev): -24.4202 -24.4202 -24.3879 -24.3879 -15.1613 -15.1612 -15.0659 -15.0658 -10.5368 -10.5366 -10.3515 -10.3514 -6.8255 -6.8250 -6.4162 -6.4154 -6.3057 -6.3042 -5.9168 -5.9142 -5.6562 -5.6495 -5.3237 -5.3191 -2.9898 -2.9816 -2.8116 -2.8056 -2.7131 -2.7053 -2.4283 -2.4214 -1.4140 -1.4077 -1.1795 -1.1706 -0.8546 -0.8452 -0.7234 -0.7133 5.4375 5.4408 6.0672 6.0683 6.9524 6.9557 7.5349 7.5388 k = 0.5000 0.3517 0.3226 ( 5392 PWs) bands (ev): -24.3942 -24.3942 -24.3942 -24.3942 -15.0588 -15.0588 -15.0588 -15.0588 -10.5349 -10.5349 -10.5344 -10.5344 -6.5920 -6.5920 -6.5846 -6.5846 -6.4932 -6.4932 -6.4864 -6.4864 -5.4861 -5.4861 -5.4823 -5.4823 -2.7461 -2.7461 -2.7440 -2.7440 -2.5224 -2.5224 -2.5107 -2.5107 -1.4269 -1.4269 -1.4112 -1.4112 -0.6755 -0.6755 -0.6664 -0.6664 5.8722 5.8722 5.8778 5.8778 7.2168 7.2169 7.2208 7.2208 k = 0.5000 0.3386 0.3226 ( 5398 PWs) bands (ev): -24.3942 -24.3942 -24.3942 -24.3942 -15.0595 -15.0595 -15.0595 -15.0595 -10.5325 -10.5324 -10.5319 -10.5319 -6.5878 -6.5878 -6.5805 -6.5805 -6.4939 -6.4939 -6.4872 -6.4872 -5.4880 -5.4880 -5.4841 -5.4841 -2.7482 -2.7482 -2.7463 -2.7463 -2.5218 -2.5218 -2.5104 -2.5104 -1.4282 -1.4282 -1.4117 -1.4117 -0.6845 -0.6845 -0.6745 -0.6745 5.8695 5.8695 5.8753 5.8753 7.2302 7.2302 7.2345 7.2345 k = 0.5000 0.3256 0.3226 ( 5392 PWs) bands (ev): -24.3943 -24.3943 -24.3942 -24.3942 -15.0604 -15.0604 -15.0604 -15.0604 -10.5296 -10.5296 -10.5291 -10.5291 -6.5832 -6.5832 -6.5760 -6.5760 -6.4944 -6.4943 -6.4878 -6.4877 -5.4904 -5.4904 -5.4865 -5.4865 -2.7507 -2.7507 -2.7488 -2.7488 -2.5206 -2.5206 -2.5096 -2.5096 -1.4301 -1.4301 -1.4128 -1.4128 -0.6949 -0.6949 -0.6842 -0.6842 5.8675 5.8676 5.8735 5.8736 7.2431 7.2432 7.2477 7.2477 k = 0.5000 0.3126 0.3226 ( 5392 PWs) bands (ev): -24.3943 -24.3943 -24.3942 -24.3942 -15.0614 -15.0614 -15.0613 -15.0613 -10.5264 -10.5264 -10.5258 -10.5258 -6.5782 -6.5782 -6.5711 -6.5711 -6.4946 -6.4946 -6.4880 -6.4880 -5.4935 -5.4935 -5.4894 -5.4894 -2.7535 -2.7535 -2.7514 -2.7513 -2.5188 -2.5188 -2.5081 -2.5081 -1.4325 -1.4325 -1.4145 -1.4144 -0.7068 -0.7068 -0.6953 -0.6953 5.8663 5.8664 5.8725 5.8725 7.2556 7.2556 7.2605 7.2605 k = 0.5000 0.2996 0.3226 ( 5394 PWs) bands (ev): -24.3943 -24.3943 -24.3943 -24.3943 -15.0624 -15.0624 -15.0624 -15.0624 -10.5228 -10.5228 -10.5223 -10.5223 -6.5729 -6.5729 -6.5658 -6.5658 -6.4947 -6.4946 -6.4880 -6.4880 -5.4972 -5.4972 -5.4929 -5.4929 -2.7564 -2.7564 -2.7539 -2.7539 -2.5165 -2.5165 -2.5062 -2.5062 -1.4354 -1.4354 -1.4167 -1.4167 -0.7199 -0.7199 -0.7076 -0.7076 5.8659 5.8659 5.8723 5.8723 7.2676 7.2676 7.2727 7.2727 k = 0.5000 0.2865 0.3226 ( 5396 PWs) bands (ev): -24.3943 -24.3943 -24.3943 -24.3943 -15.0636 -15.0636 -15.0635 -15.0635 -10.5190 -10.5190 -10.5184 -10.5184 -6.5673 -6.5673 -6.5602 -6.5602 -6.4944 -6.4944 -6.4877 -6.4876 -5.5013 -5.5013 -5.4969 -5.4969 -2.7593 -2.7593 -2.7565 -2.7565 -2.5137 -2.5137 -2.5038 -2.5038 -1.4389 -1.4389 -1.4194 -1.4194 -0.7341 -0.7341 -0.7209 -0.7209 5.8663 5.8664 5.8729 5.8729 7.2791 7.2792 7.2844 7.2845 k = 0.5000 0.2735 0.3226 ( 5396 PWs) bands (ev): -24.3944 -24.3944 -24.3943 -24.3943 -15.0648 -15.0648 -15.0648 -15.0648 -10.5148 -10.5148 -10.5143 -10.5143 -6.5615 -6.5615 -6.5545 -6.5545 -6.4940 -6.4940 -6.4869 -6.4869 -5.5060 -5.5060 -5.5013 -5.5013 -2.7623 -2.7623 -2.7591 -2.7591 -2.5105 -2.5105 -2.5010 -2.5010 -1.4429 -1.4429 -1.4228 -1.4228 -0.7492 -0.7492 -0.7352 -0.7352 5.8676 5.8676 5.8742 5.8742 7.2902 7.2902 7.2957 7.2958 k = 0.5000 0.2605 0.3226 ( 5392 PWs) bands (ev): -24.3944 -24.3944 -24.3944 -24.3944 -15.0661 -15.0661 -15.0661 -15.0661 -10.5105 -10.5105 -10.5099 -10.5099 -6.5556 -6.5556 -6.5486 -6.5486 -6.4932 -6.4932 -6.4858 -6.4858 -5.5111 -5.5111 -5.5062 -5.5062 -2.7651 -2.7651 -2.7615 -2.7615 -2.5071 -2.5071 -2.4980 -2.4980 -1.4475 -1.4475 -1.4268 -1.4268 -0.7650 -0.7650 -0.7502 -0.7502 5.8696 5.8696 5.8763 5.8764 7.3008 7.3009 7.3066 7.3066 k = 0.5000 0.2475 0.3226 ( 5394 PWs) bands (ev): -24.3944 -24.3944 -24.3944 -24.3944 -15.0674 -15.0674 -15.0674 -15.0674 -10.5060 -10.5060 -10.5054 -10.5054 -6.5498 -6.5498 -6.5427 -6.5427 -6.4920 -6.4920 -6.4841 -6.4841 -5.5167 -5.5167 -5.5116 -5.5116 -2.7677 -2.7677 -2.7638 -2.7638 -2.5034 -2.5034 -2.4947 -2.4947 -1.4525 -1.4525 -1.4313 -1.4313 -0.7813 -0.7813 -0.7658 -0.7657 5.8723 5.8723 5.8792 5.8792 7.3112 7.3112 7.3170 7.3171 k = 0.5000 0.2344 0.3226 ( 5392 PWs) bands (ev): -24.3945 -24.3945 -24.3944 -24.3944 -15.0688 -15.0688 -15.0688 -15.0688 -10.5013 -10.5013 -10.5007 -10.5007 -6.5442 -6.5442 -6.5369 -6.5369 -6.4903 -6.4903 -6.4819 -6.4819 -5.5226 -5.5226 -5.5172 -5.5172 -2.7701 -2.7701 -2.7659 -2.7659 -2.4995 -2.4995 -2.4913 -2.4913 -1.4580 -1.4580 -1.4364 -1.4364 -0.7979 -0.7979 -0.7817 -0.7817 5.8758 5.8758 5.8827 5.8827 7.3212 7.3212 7.3272 7.3272 k = 0.5000 0.2214 0.3226 ( 5396 PWs) bands (ev): -24.3945 -24.3945 -24.3945 -24.3945 -15.0702 -15.0702 -15.0702 -15.0702 -10.4965 -10.4965 -10.4960 -10.4960 -6.5389 -6.5389 -6.5315 -6.5315 -6.4880 -6.4880 -6.4791 -6.4791 -5.5288 -5.5288 -5.5232 -5.5232 -2.7723 -2.7723 -2.7678 -2.7678 -2.4956 -2.4956 -2.4879 -2.4878 -1.4639 -1.4639 -1.4420 -1.4420 -0.8146 -0.8146 -0.7977 -0.7977 5.8799 5.8799 5.8868 5.8868 7.3310 7.3310 7.3371 7.3371 k = 0.5000 0.2084 0.3226 ( 5398 PWs) bands (ev): -24.3946 -24.3946 -24.3945 -24.3945 -15.0716 -15.0716 -15.0716 -15.0716 -10.4917 -10.4917 -10.4911 -10.4911 -6.5341 -6.5341 -6.5267 -6.5267 -6.4849 -6.4849 -6.4756 -6.4756 -5.5353 -5.5353 -5.5295 -5.5295 -2.7741 -2.7741 -2.7695 -2.7695 -2.4917 -2.4917 -2.4844 -2.4844 -1.4702 -1.4702 -1.4481 -1.4481 -0.8313 -0.8313 -0.8138 -0.8138 5.8845 5.8845 5.8914 5.8914 7.3405 7.3406 7.3467 7.3468 k = 0.5000 0.1954 0.3226 ( 5404 PWs) bands (ev): -24.3946 -24.3946 -24.3946 -24.3946 -15.0731 -15.0731 -15.0730 -15.0730 -10.4869 -10.4868 -10.4863 -10.4863 -6.5299 -6.5298 -6.5226 -6.5226 -6.4809 -6.4809 -6.4714 -6.4714 -5.5420 -5.5419 -5.5359 -5.5359 -2.7757 -2.7757 -2.7710 -2.7710 -2.4878 -2.4878 -2.4809 -2.4809 -1.4767 -1.4767 -1.4546 -1.4546 -0.8477 -0.8477 -0.8297 -0.8297 5.8896 5.8896 5.8964 5.8964 7.3499 7.3500 7.3562 7.3562 k = 0.5000 0.1823 0.3226 ( 5402 PWs) bands (ev): -24.3946 -24.3946 -24.3946 -24.3946 -15.0745 -15.0745 -15.0744 -15.0744 -10.4821 -10.4821 -10.4815 -10.4815 -6.5262 -6.5262 -6.5192 -6.5192 -6.4761 -6.4761 -6.4665 -6.4665 -5.5487 -5.5487 -5.5425 -5.5425 -2.7770 -2.7770 -2.7722 -2.7722 -2.4840 -2.4840 -2.4776 -2.4776 -1.4835 -1.4835 -1.4614 -1.4614 -0.8637 -0.8637 -0.8453 -0.8453 5.8951 5.8951 5.9018 5.9018 7.3592 7.3592 7.3654 7.3655 k = 0.5000 0.1693 0.3226 ( 5406 PWs) bands (ev): -24.3947 -24.3947 -24.3946 -24.3946 -15.0758 -15.0758 -15.0758 -15.0758 -10.4774 -10.4773 -10.4768 -10.4768 -6.5232 -6.5231 -6.5166 -6.5166 -6.4705 -6.4705 -6.4611 -6.4611 -5.5556 -5.5556 -5.5491 -5.5491 -2.7780 -2.7780 -2.7731 -2.7731 -2.4803 -2.4803 -2.4744 -2.4744 -1.4903 -1.4903 -1.4684 -1.4684 -0.8791 -0.8791 -0.8604 -0.8604 5.9009 5.9009 5.9074 5.9074 7.3682 7.3683 7.3745 7.3745 k = 0.5000 0.1563 0.3226 ( 5408 PWs) bands (ev): -24.3947 -24.3947 -24.3947 -24.3947 -15.0772 -15.0772 -15.0771 -15.0771 -10.4728 -10.4728 -10.4722 -10.4722 -6.5206 -6.5206 -6.5146 -6.5146 -6.4643 -6.4643 -6.4552 -6.4552 -5.5624 -5.5624 -5.5558 -5.5558 -2.7787 -2.7787 -2.7739 -2.7739 -2.4769 -2.4769 -2.4714 -2.4714 -1.4971 -1.4971 -1.4756 -1.4756 -0.8938 -0.8938 -0.8749 -0.8749 5.9068 5.9068 5.9131 5.9131 7.3771 7.3771 7.3832 7.3833 k = 0.5000 0.1433 0.3226 ( 5412 PWs) bands (ev): -24.3947 -24.3947 -24.3947 -24.3947 -15.0784 -15.0784 -15.0784 -15.0784 -10.4684 -10.4684 -10.4679 -10.4678 -6.5186 -6.5186 -6.5131 -6.5131 -6.4578 -6.4578 -6.4491 -6.4491 -5.5691 -5.5691 -5.5623 -5.5623 -2.7792 -2.7792 -2.7744 -2.7744 -2.4737 -2.4737 -2.4686 -2.4686 -1.5039 -1.5039 -1.4828 -1.4828 -0.9077 -0.9077 -0.8887 -0.8887 5.9128 5.9128 5.9189 5.9189 7.3856 7.3857 7.3917 7.3918 k = 0.5000 0.1302 0.3226 ( 5414 PWs) bands (ev): -24.3948 -24.3948 -24.3948 -24.3948 -15.0796 -15.0796 -15.0796 -15.0796 -10.4642 -10.4642 -10.4637 -10.4637 -6.5169 -6.5169 -6.5119 -6.5119 -6.4513 -6.4513 -6.4430 -6.4430 -5.5756 -5.5756 -5.5686 -5.5686 -2.7794 -2.7794 -2.7747 -2.7747 -2.4707 -2.4707 -2.4661 -2.4661 -1.5104 -1.5104 -1.4900 -1.4900 -0.9206 -0.9206 -0.9016 -0.9016 5.9187 5.9187 5.9245 5.9246 7.3939 7.3939 7.3998 7.3999 k = 0.5000 0.1172 0.3226 ( 5408 PWs) bands (ev): -24.3948 -24.3948 -24.3948 -24.3948 -15.0808 -15.0808 -15.0807 -15.0807 -10.4603 -10.4603 -10.4598 -10.4598 -6.5155 -6.5155 -6.5110 -6.5110 -6.4448 -6.4448 -6.4369 -6.4369 -5.5818 -5.5818 -5.5747 -5.5747 -2.7793 -2.7793 -2.7749 -2.7749 -2.4680 -2.4680 -2.4639 -2.4639 -1.5166 -1.5166 -1.4969 -1.4969 -0.9325 -0.9325 -0.9136 -0.9136 5.9245 5.9245 5.9300 5.9300 7.4017 7.4018 7.4075 7.4075 k = 0.5000 0.1042 0.3226 ( 5412 PWs) bands (ev): -24.3948 -24.3948 -24.3948 -24.3948 -15.0818 -15.0818 -15.0818 -15.0818 -10.4567 -10.4567 -10.4562 -10.4562 -6.5144 -6.5144 -6.5103 -6.5103 -6.4385 -6.4385 -6.4310 -6.4310 -5.5876 -5.5876 -5.5805 -5.5804 -2.7792 -2.7792 -2.7749 -2.7749 -2.4657 -2.4656 -2.4619 -2.4619 -1.5224 -1.5224 -1.5036 -1.5036 -0.9433 -0.9433 -0.9245 -0.9245 5.9301 5.9301 5.9352 5.9352 7.4091 7.4091 7.4146 7.4147 k = 0.5000 0.0912 0.3226 ( 5416 PWs) bands (ev): -24.3949 -24.3949 -24.3948 -24.3948 -15.0828 -15.0828 -15.0827 -15.0827 -10.4534 -10.4534 -10.4529 -10.4529 -6.5135 -6.5135 -6.5098 -6.5097 -6.4327 -6.4327 -6.4255 -6.4255 -5.5931 -5.5931 -5.5858 -5.5858 -2.7788 -2.7788 -2.7749 -2.7749 -2.4636 -2.4636 -2.4603 -2.4603 -1.5277 -1.5277 -1.5098 -1.5098 -0.9530 -0.9530 -0.9343 -0.9343 5.9352 5.9352 5.9400 5.9400 7.4159 7.4159 7.4211 7.4212 k = 0.5000 0.0781 0.3226 ( 5422 PWs) bands (ev): -24.3949 -24.3949 -24.3949 -24.3949 -15.0836 -15.0836 -15.0836 -15.0836 -10.4505 -10.4505 -10.4500 -10.4500 -6.5127 -6.5127 -6.5094 -6.5093 -6.4274 -6.4274 -6.4205 -6.4205 -5.5979 -5.5979 -5.5906 -5.5905 -2.7784 -2.7784 -2.7748 -2.7748 -2.4617 -2.4617 -2.4589 -2.4589 -1.5324 -1.5324 -1.5155 -1.5155 -0.9614 -0.9614 -0.9429 -0.9429 5.9400 5.9400 5.9444 5.9444 7.4220 7.4220 7.4269 7.4270 k = 0.5000 0.0651 0.3226 ( 5426 PWs) bands (ev): -24.3949 -24.3949 -24.3949 -24.3949 -15.0843 -15.0843 -15.0843 -15.0843 -10.4480 -10.4480 -10.4475 -10.4475 -6.5121 -6.5121 -6.5090 -6.5090 -6.4227 -6.4227 -6.4160 -6.4160 -5.6022 -5.6022 -5.5948 -5.5948 -2.7779 -2.7779 -2.7747 -2.7747 -2.4602 -2.4602 -2.4578 -2.4578 -1.5365 -1.5365 -1.5206 -1.5206 -0.9686 -0.9686 -0.9503 -0.9503 5.9441 5.9442 5.9482 5.9482 7.4273 7.4274 7.4320 7.4320 k = 0.5000 0.0521 0.3226 ( 5424 PWs) bands (ev): -24.3949 -24.3949 -24.3949 -24.3949 -15.0849 -15.0849 -15.0849 -15.0849 -10.4459 -10.4459 -10.4454 -10.4454 -6.5116 -6.5116 -6.5088 -6.5088 -6.4187 -6.4187 -6.4123 -6.4123 -5.6058 -5.6058 -5.5983 -5.5983 -2.7774 -2.7774 -2.7746 -2.7746 -2.4590 -2.4590 -2.4570 -2.4570 -1.5399 -1.5399 -1.5249 -1.5249 -0.9745 -0.9745 -0.9565 -0.9565 5.9477 5.9477 5.9513 5.9513 7.4319 7.4319 7.4362 7.4362 k = 0.5000 0.0391 0.3226 ( 5422 PWs) bands (ev): -24.3949 -24.3949 -24.3949 -24.3949 -15.0854 -15.0854 -15.0854 -15.0854 -10.4443 -10.4443 -10.4438 -10.4438 -6.5113 -6.5113 -6.5086 -6.5086 -6.4155 -6.4155 -6.4093 -6.4093 -5.6087 -5.6087 -5.6011 -5.6011 -2.7769 -2.7769 -2.7745 -2.7745 -2.4580 -2.4580 -2.4564 -2.4564 -1.5425 -1.5425 -1.5284 -1.5284 -0.9791 -0.9791 -0.9613 -0.9613 5.9506 5.9506 5.9538 5.9539 7.4355 7.4355 7.4395 7.4395 k = 0.5000 0.0260 0.3226 ( 5422 PWs) bands (ev): -24.3950 -24.3950 -24.3949 -24.3949 -15.0857 -15.0857 -15.0857 -15.0857 -10.4431 -10.4431 -10.4426 -10.4426 -6.5110 -6.5110 -6.5085 -6.5085 -6.4132 -6.4132 -6.4071 -6.4071 -5.6108 -5.6108 -5.6032 -5.6032 -2.7765 -2.7765 -2.7744 -2.7744 -2.4572 -2.4572 -2.4560 -2.4560 -1.5444 -1.5444 -1.5309 -1.5309 -0.9824 -0.9824 -0.9647 -0.9647 5.9527 5.9527 5.9557 5.9557 7.4381 7.4381 7.4419 7.4419 k = 0.5000 0.0130 0.3226 ( 5418 PWs) bands (ev): -24.3950 -24.3950 -24.3949 -24.3949 -15.0859 -15.0859 -15.0859 -15.0859 -10.4424 -10.4424 -10.4419 -10.4419 -6.5109 -6.5109 -6.5084 -6.5084 -6.4117 -6.4117 -6.4057 -6.4057 -5.6120 -5.6120 -5.6044 -5.6044 -2.7763 -2.7763 -2.7744 -2.7744 -2.4567 -2.4567 -2.4558 -2.4558 -1.5456 -1.5456 -1.5325 -1.5325 -0.9843 -0.9843 -0.9668 -0.9668 5.9540 5.9540 5.9568 5.9568 7.4397 7.4397 7.4433 7.4433 k = 0.5000-0.0000 0.3226 ( 5428 PWs) bands (ev): -24.3950 -24.3950 -24.3949 -24.3949 -15.0860 -15.0860 -15.0860 -15.0860 -10.4421 -10.4421 -10.4416 -10.4416 -6.5108 -6.5108 -6.5084 -6.5084 -6.4113 -6.4113 -6.4053 -6.4053 -5.6125 -5.6125 -5.6048 -5.6048 -2.7762 -2.7762 -2.7744 -2.7744 -2.4566 -2.4566 -2.4558 -2.4558 -1.5460 -1.5460 -1.5330 -1.5330 -0.9850 -0.9850 -0.9675 -0.9675 5.9544 5.9544 5.9571 5.9571 7.4402 7.4402 7.4438 7.4438 k = 0.5000-0.0000 0.3226 ( 5428 PWs) bands (ev): -24.3950 -24.3950 -24.3949 -24.3949 -15.0860 -15.0860 -15.0860 -15.0860 -10.4421 -10.4421 -10.4416 -10.4416 -6.5108 -6.5108 -6.5084 -6.5084 -6.4113 -6.4113 -6.4053 -6.4053 -5.6125 -5.6125 -5.6048 -5.6048 -2.7762 -2.7762 -2.7744 -2.7744 -2.4566 -2.4566 -2.4558 -2.4558 -1.5460 -1.5460 -1.5330 -1.5330 -0.9850 -0.9850 -0.9675 -0.9675 5.9544 5.9544 5.9571 5.9571 7.4402 7.4402 7.4438 7.4438 k = 0.5000-0.0000 0.3097 ( 5422 PWs) bands (ev): -24.3950 -24.3950 -24.3949 -24.3949 -15.0860 -15.0860 -15.0860 -15.0860 -10.4422 -10.4422 -10.4417 -10.4417 -6.5112 -6.5112 -6.5086 -6.5085 -6.4109 -6.4109 -6.4048 -6.4048 -5.6126 -5.6126 -5.6050 -5.6050 -2.7764 -2.7764 -2.7746 -2.7746 -2.4567 -2.4567 -2.4557 -2.4557 -1.5456 -1.5456 -1.5326 -1.5326 -0.9849 -0.9849 -0.9674 -0.9674 5.9539 5.9539 5.9567 5.9567 7.4400 7.4400 7.4436 7.4436 k = 0.5000-0.0000 0.2968 ( 5424 PWs) bands (ev): -24.3950 -24.3950 -24.3949 -24.3949 -15.0860 -15.0860 -15.0859 -15.0859 -10.4423 -10.4423 -10.4418 -10.4418 -6.5124 -6.5123 -6.5091 -6.5091 -6.4097 -6.4097 -6.4035 -6.4035 -5.6130 -5.6130 -5.6054 -5.6054 -2.7770 -2.7770 -2.7751 -2.7751 -2.4570 -2.4570 -2.4555 -2.4555 -1.5444 -1.5444 -1.5314 -1.5314 -0.9848 -0.9848 -0.9672 -0.9672 5.9524 5.9525 5.9552 5.9553 7.4394 7.4395 7.4431 7.4431 k = 0.5000-0.0000 0.2839 ( 5420 PWs) bands (ev): -24.3950 -24.3950 -24.3949 -24.3949 -15.0859 -15.0859 -15.0859 -15.0859 -10.4426 -10.4426 -10.4421 -10.4421 -6.5140 -6.5140 -6.5102 -6.5101 -6.4079 -6.4079 -6.4014 -6.4014 -5.6135 -5.6135 -5.6060 -5.6060 -2.7780 -2.7780 -2.7760 -2.7760 -2.4574 -2.4574 -2.4552 -2.4552 -1.5424 -1.5424 -1.5295 -1.5295 -0.9844 -0.9844 -0.9669 -0.9669 5.9500 5.9501 5.9529 5.9529 7.4385 7.4385 7.4422 7.4422 k = 0.5000-0.0000 0.2710 ( 5416 PWs) bands (ev): -24.3950 -24.3950 -24.3949 -24.3949 -15.0858 -15.0858 -15.0858 -15.0858 -10.4429 -10.4429 -10.4424 -10.4424 -6.5162 -6.5162 -6.5116 -6.5116 -6.4054 -6.4054 -6.3985 -6.3985 -5.6144 -5.6144 -5.6069 -5.6069 -2.7794 -2.7794 -2.7772 -2.7772 -2.4578 -2.4578 -2.4550 -2.4550 -1.5397 -1.5397 -1.5268 -1.5268 -0.9840 -0.9840 -0.9665 -0.9665 5.9467 5.9467 5.9497 5.9497 7.4371 7.4371 7.4410 7.4410 k = 0.5000-0.0000 0.2581 ( 5418 PWs) bands (ev): -24.3950 -24.3950 -24.3949 -24.3949 -15.0857 -15.0857 -15.0857 -15.0857 -10.4433 -10.4433 -10.4428 -10.4428 -6.5186 -6.5186 -6.5135 -6.5134 -6.4023 -6.4023 -6.3951 -6.3951 -5.6154 -5.6154 -5.6080 -5.6080 -2.7811 -2.7811 -2.7788 -2.7788 -2.4583 -2.4583 -2.4549 -2.4548 -1.5363 -1.5363 -1.5234 -1.5234 -0.9835 -0.9835 -0.9660 -0.9660 5.9425 5.9425 5.9456 5.9456 7.4353 7.4353 7.4393 7.4393 k = 0.5000-0.0000 0.2452 ( 5424 PWs) bands (ev): -24.3950 -24.3950 -24.3949 -24.3949 -15.0856 -15.0856 -15.0855 -15.0855 -10.4438 -10.4438 -10.4433 -10.4433 -6.5213 -6.5213 -6.5156 -6.5156 -6.3987 -6.3987 -6.3912 -6.3912 -5.6166 -5.6166 -5.6094 -5.6094 -2.7831 -2.7831 -2.7806 -2.7806 -2.4587 -2.4587 -2.4547 -2.4547 -1.5323 -1.5323 -1.5194 -1.5194 -0.9828 -0.9828 -0.9654 -0.9654 5.9375 5.9375 5.9407 5.9408 7.4331 7.4331 7.4372 7.4372 k = 0.5000-0.0000 0.2323 ( 5428 PWs) bands (ev): -24.3950 -24.3950 -24.3949 -24.3949 -15.0854 -15.0854 -15.0854 -15.0854 -10.4443 -10.4443 -10.4439 -10.4439 -6.5242 -6.5242 -6.5180 -6.5180 -6.3946 -6.3946 -6.3869 -6.3869 -5.6180 -5.6180 -5.6110 -5.6110 -2.7854 -2.7854 -2.7827 -2.7827 -2.4592 -2.4592 -2.4546 -2.4546 -1.5276 -1.5276 -1.5148 -1.5148 -0.9821 -0.9821 -0.9647 -0.9647 5.9317 5.9317 5.9351 5.9351 7.4305 7.4305 7.4347 7.4347 k = 0.5000-0.0000 0.2194 ( 5424 PWs) bands (ev): -24.3950 -24.3950 -24.3949 -24.3949 -15.0852 -15.0852 -15.0852 -15.0852 -10.4450 -10.4450 -10.4445 -10.4445 -6.5271 -6.5271 -6.5205 -6.5205 -6.3903 -6.3903 -6.3824 -6.3824 -5.6196 -5.6196 -5.6127 -5.6127 -2.7879 -2.7879 -2.7850 -2.7850 -2.4597 -2.4597 -2.4545 -2.4545 -1.5225 -1.5225 -1.5097 -1.5097 -0.9813 -0.9813 -0.9640 -0.9640 5.9252 5.9252 5.9287 5.9288 7.4274 7.4274 7.4317 7.4317 k = 0.5000-0.0000 0.2065 ( 5418 PWs) bands (ev): -24.3950 -24.3950 -24.3949 -24.3949 -15.0851 -15.0851 -15.0850 -15.0850 -10.4456 -10.4456 -10.4452 -10.4452 -6.5300 -6.5300 -6.5232 -6.5231 -6.3857 -6.3857 -6.3777 -6.3777 -5.6213 -5.6213 -5.6147 -5.6147 -2.7905 -2.7905 -2.7876 -2.7876 -2.4602 -2.4602 -2.4545 -2.4545 -1.5169 -1.5169 -1.5042 -1.5042 -0.9805 -0.9805 -0.9632 -0.9632 5.9182 5.9182 5.9218 5.9218 7.4239 7.4239 7.4283 7.4283 k = 0.5000-0.0000 0.1936 ( 5412 PWs) bands (ev): -24.3950 -24.3950 -24.3949 -24.3949 -15.0849 -15.0849 -15.0848 -15.0848 -10.4463 -10.4463 -10.4459 -10.4459 -6.5330 -6.5329 -6.5258 -6.5258 -6.3810 -6.3810 -6.3729 -6.3728 -5.6231 -5.6231 -5.6167 -5.6167 -2.7933 -2.7933 -2.7902 -2.7902 -2.4606 -2.4606 -2.4545 -2.4545 -1.5109 -1.5109 -1.4984 -1.4984 -0.9796 -0.9796 -0.9624 -0.9624 5.9106 5.9106 5.9143 5.9143 7.4200 7.4200 7.4244 7.4244 k = 0.5000-0.0000 0.1806 ( 5408 PWs) bands (ev): -24.3950 -24.3950 -24.3949 -24.3949 -15.0847 -15.0847 -15.0846 -15.0846 -10.4471 -10.4471 -10.4466 -10.4466 -6.5358 -6.5358 -6.5284 -6.5284 -6.3762 -6.3762 -6.3680 -6.3680 -5.6251 -5.6251 -5.6189 -5.6189 -2.7962 -2.7962 -2.7930 -2.7930 -2.4611 -2.4611 -2.4545 -2.4545 -1.5047 -1.5047 -1.4923 -1.4923 -0.9787 -0.9787 -0.9616 -0.9616 5.9027 5.9027 5.9065 5.9065 7.4157 7.4157 7.4201 7.4201 k = 0.5000-0.0000 0.1677 ( 5406 PWs) bands (ev): -24.3950 -24.3950 -24.3950 -24.3950 -15.0845 -15.0845 -15.0844 -15.0844 -10.4478 -10.4478 -10.4474 -10.4474 -6.5385 -6.5385 -6.5310 -6.5310 -6.3714 -6.3714 -6.3631 -6.3631 -5.6270 -5.6270 -5.6211 -5.6211 -2.7991 -2.7991 -2.7958 -2.7958 -2.4616 -2.4616 -2.4546 -2.4546 -1.4983 -1.4983 -1.4861 -1.4860 -0.9778 -0.9778 -0.9609 -0.9608 5.8945 5.8945 5.8983 5.8983 7.4111 7.4111 7.4155 7.4155 k = 0.5000-0.0000 0.1548 ( 5400 PWs) bands (ev): -24.3950 -24.3950 -24.3950 -24.3950 -15.0843 -15.0843 -15.0842 -15.0842 -10.4486 -10.4486 -10.4482 -10.4482 -6.5411 -6.5411 -6.5335 -6.5334 -6.3667 -6.3667 -6.3584 -6.3584 -5.6290 -5.6290 -5.6234 -5.6234 -2.8020 -2.8020 -2.7986 -2.7986 -2.4620 -2.4620 -2.4546 -2.4546 -1.4919 -1.4919 -1.4798 -1.4798 -0.9769 -0.9769 -0.9601 -0.9601 5.8861 5.8862 5.8900 5.8900 7.4063 7.4063 7.4106 7.4106 k = 0.5000-0.0000 0.1419 ( 5390 PWs) bands (ev): -24.3950 -24.3950 -24.3949 -24.3949 -15.0841 -15.0841 -15.0840 -15.0840 -10.4493 -10.4493 -10.4489 -10.4489 -6.5436 -6.5436 -6.5358 -6.5358 -6.3621 -6.3621 -6.3538 -6.3538 -5.6310 -5.6310 -5.6258 -5.6258 -2.8049 -2.8049 -2.8014 -2.8014 -2.4625 -2.4625 -2.4547 -2.4547 -1.4854 -1.4854 -1.4735 -1.4735 -0.9760 -0.9760 -0.9594 -0.9594 5.8778 5.8778 5.8816 5.8817 7.4013 7.4014 7.4056 7.4056 k = 0.5000-0.0000 0.1290 ( 5394 PWs) bands (ev): -24.3950 -24.3950 -24.3950 -24.3950 -15.0839 -15.0839 -15.0838 -15.0838 -10.4501 -10.4501 -10.4497 -10.4497 -6.5459 -6.5459 -6.5380 -6.5380 -6.3577 -6.3577 -6.3494 -6.3494 -5.6329 -5.6329 -5.6281 -5.6281 -2.8076 -2.8076 -2.8041 -2.8041 -2.4629 -2.4629 -2.4548 -2.4548 -1.4791 -1.4791 -1.4675 -1.4675 -0.9752 -0.9752 -0.9587 -0.9587 5.8696 5.8696 5.8734 5.8734 7.3963 7.3964 7.4004 7.4004 k = 0.5000-0.0000 0.1161 ( 5398 PWs) bands (ev): -24.3950 -24.3950 -24.3950 -24.3950 -15.0837 -15.0837 -15.0836 -15.0836 -10.4508 -10.4508 -10.4504 -10.4504 -6.5480 -6.5480 -6.5400 -6.5400 -6.3535 -6.3535 -6.3452 -6.3452 -5.6348 -5.6348 -5.6303 -5.6303 -2.8102 -2.8102 -2.8066 -2.8066 -2.4633 -2.4633 -2.4549 -2.4549 -1.4730 -1.4730 -1.4617 -1.4617 -0.9744 -0.9744 -0.9581 -0.9581 5.8616 5.8616 5.8654 5.8654 7.3914 7.3914 7.3953 7.3953 k = 0.5000-0.0000 0.1032 ( 5398 PWs) bands (ev): -24.3950 -24.3950 -24.3950 -24.3950 -15.0835 -15.0835 -15.0835 -15.0835 -10.4514 -10.4514 -10.4511 -10.4511 -6.5499 -6.5499 -6.5419 -6.5419 -6.3496 -6.3496 -6.3414 -6.3414 -5.6366 -5.6366 -5.6325 -5.6325 -2.8127 -2.8127 -2.8090 -2.8090 -2.4636 -2.4636 -2.4550 -2.4550 -1.4673 -1.4673 -1.4562 -1.4562 -0.9737 -0.9737 -0.9576 -0.9576 5.8541 5.8541 5.8578 5.8578 7.3867 7.3867 7.3903 7.3903 k = 0.5000-0.0000 0.0903 ( 5404 PWs) bands (ev): -24.3950 -24.3950 -24.3950 -24.3950 -15.0833 -15.0833 -15.0833 -15.0833 -10.4521 -10.4521 -10.4517 -10.4517 -6.5516 -6.5516 -6.5436 -6.5435 -6.3460 -6.3460 -6.3379 -6.3379 -5.6382 -5.6382 -5.6345 -5.6345 -2.8149 -2.8149 -2.8113 -2.8113 -2.4639 -2.4639 -2.4551 -2.4551 -1.4619 -1.4619 -1.4511 -1.4511 -0.9730 -0.9730 -0.9571 -0.9571 5.8471 5.8471 5.8508 5.8508 7.3822 7.3822 7.3856 7.3856 k = 0.5000-0.0000 0.0774 ( 5408 PWs) bands (ev): -24.3950 -24.3950 -24.3950 -24.3950 -15.0832 -15.0832 -15.0832 -15.0832 -10.4526 -10.4526 -10.4523 -10.4523 -6.5531 -6.5531 -6.5450 -6.5450 -6.3429 -6.3429 -6.3348 -6.3348 -5.6396 -5.6396 -5.6364 -5.6364 -2.8170 -2.8169 -2.8133 -2.8133 -2.4642 -2.4642 -2.4552 -2.4552 -1.4571 -1.4571 -1.4466 -1.4466 -0.9725 -0.9725 -0.9567 -0.9567 5.8407 5.8407 5.8443 5.8443 7.3781 7.3781 7.3813 7.3813 k = 0.5000-0.0000 0.0645 ( 5410 PWs) bands (ev): -24.3950 -24.3950 -24.3950 -24.3950 -15.0831 -15.0831 -15.0830 -15.0830 -10.4531 -10.4531 -10.4528 -10.4528 -6.5544 -6.5544 -6.5463 -6.5462 -6.3401 -6.3401 -6.3321 -6.3320 -5.6408 -5.6408 -5.6381 -5.6381 -2.8187 -2.8187 -2.8150 -2.8150 -2.4645 -2.4645 -2.4553 -2.4553 -1.4529 -1.4529 -1.4426 -1.4426 -0.9720 -0.9720 -0.9564 -0.9564 5.8351 5.8352 5.8387 5.8387 7.3745 7.3745 7.3774 7.3774 k = 0.5000-0.0000 0.0516 ( 5406 PWs) bands (ev): -24.3950 -24.3950 -24.3950 -24.3950 -15.0830 -15.0830 -15.0829 -15.0829 -10.4535 -10.4535 -10.4532 -10.4532 -6.5555 -6.5555 -6.5473 -6.5473 -6.3378 -6.3378 -6.3298 -6.3298 -5.6418 -5.6418 -5.6396 -5.6396 -2.8202 -2.8202 -2.8164 -2.8164 -2.4647 -2.4647 -2.4554 -2.4554 -1.4493 -1.4493 -1.4392 -1.4392 -0.9716 -0.9716 -0.9561 -0.9561 5.8304 5.8304 5.8339 5.8339 7.3714 7.3714 7.3741 7.3741 k = 0.5000-0.0000 0.0387 ( 5412 PWs) bands (ev): -24.3950 -24.3950 -24.3950 -24.3950 -15.0829 -15.0829 -15.0828 -15.0828 -10.4538 -10.4538 -10.4536 -10.4536 -6.5563 -6.5563 -6.5481 -6.5481 -6.3360 -6.3360 -6.3280 -6.3280 -5.6425 -5.6425 -5.6408 -5.6408 -2.8213 -2.8213 -2.8176 -2.8176 -2.4648 -2.4648 -2.4554 -2.4554 -1.4464 -1.4464 -1.4366 -1.4366 -0.9713 -0.9713 -0.9559 -0.9559 5.8267 5.8267 5.8301 5.8301 7.3689 7.3689 7.3714 7.3714 k = 0.5000-0.0000 0.0258 ( 5408 PWs) bands (ev): -24.3950 -24.3950 -24.3950 -24.3950 -15.0828 -15.0828 -15.0828 -15.0828 -10.4541 -10.4541 -10.4538 -10.4538 -6.5569 -6.5569 -6.5487 -6.5487 -6.3346 -6.3346 -6.3267 -6.3267 -5.6430 -5.6430 -5.6417 -5.6417 -2.8222 -2.8222 -2.8184 -2.8184 -2.4649 -2.4649 -2.4554 -2.4554 -1.4444 -1.4444 -1.4347 -1.4347 -0.9710 -0.9710 -0.9558 -0.9557 5.8239 5.8240 5.8273 5.8273 7.3672 7.3672 7.3694 7.3695 k = 0.5000-0.0000 0.0129 ( 5406 PWs) bands (ev): -24.3950 -24.3950 -24.3950 -24.3950 -15.0828 -15.0828 -15.0827 -15.0827 -10.4542 -10.4542 -10.4540 -10.4540 -6.5572 -6.5572 -6.5490 -6.5490 -6.3338 -6.3338 -6.3259 -6.3259 -5.6433 -5.6433 -5.6424 -5.6424 -2.8227 -2.8227 -2.8189 -2.8189 -2.4650 -2.4650 -2.4555 -2.4555 -1.4431 -1.4431 -1.4335 -1.4335 -0.9709 -0.9709 -0.9557 -0.9557 5.8223 5.8223 5.8256 5.8256 7.3661 7.3661 7.3682 7.3683 k = 0.5000-0.0000-0.0000 ( 5414 PWs) bands (ev): -24.3950 -24.3950 -24.3950 -24.3950 -15.0828 -15.0828 -15.0827 -15.0827 -10.4543 -10.4543 -10.4540 -10.4540 -6.5573 -6.5573 -6.5491 -6.5491 -6.3336 -6.3336 -6.3257 -6.3257 -5.6433 -5.6433 -5.6426 -5.6426 -2.8228 -2.8228 -2.8191 -2.8191 -2.4650 -2.4650 -2.4555 -2.4555 -1.4427 -1.4427 -1.4331 -1.4331 -0.9708 -0.9708 -0.9556 -0.9556 5.8217 5.8217 5.8251 5.8251 7.3657 7.3657 7.3678 7.3678 k = 0.0000 0.0000 0.3226 ( 5386 PWs) bands (ev): -24.4616 -24.4616 -24.3468 -24.3468 -15.2892 -15.2892 -14.9886 -14.9886 -10.4338 -10.4338 -10.2494 -10.2494 -6.6945 -6.6945 -6.3466 -6.3466 -6.2670 -6.2670 -6.0182 -6.0182 -5.6393 -5.6393 -5.4304 -5.4304 -3.0711 -3.0711 -2.8003 -2.8003 -2.6231 -2.6231 -2.4542 -2.4542 -1.4989 -1.4989 -1.3109 -1.3109 -1.1967 -1.1967 -0.8994 -0.8994 5.7780 5.7780 5.8155 5.8155 6.7500 6.7500 7.1547 7.1547 k = 0.0132-0.0000 0.3226 ( 5382 PWs) bands (ev): -24.4616 -24.4616 -24.3469 -24.3469 -15.2890 -15.2890 -14.9886 -14.9886 -10.4338 -10.4338 -10.2497 -10.2497 -6.6946 -6.6943 -6.3469 -6.3465 -6.2675 -6.2670 -6.0190 -6.0184 -5.6395 -5.6395 -5.4309 -5.4305 -3.0705 -3.0702 -2.8001 -2.8000 -2.6227 -2.6223 -2.4546 -2.4543 -1.4995 -1.4988 -1.3115 -1.3107 -1.1970 -1.1960 -0.9002 -0.8992 5.7777 5.7779 5.8154 5.8156 6.7524 6.7525 7.1548 7.1549 k = 0.0263-0.0000 0.3226 ( 5388 PWs) bands (ev): -24.4614 -24.4614 -24.3470 -24.3470 -15.2883 -15.2883 -14.9888 -14.9887 -10.4341 -10.4341 -10.2504 -10.2504 -6.6944 -6.6939 -6.3475 -6.3467 -6.2685 -6.2676 -6.0209 -6.0198 -5.6402 -5.6400 -5.4321 -5.4314 -3.0683 -3.0679 -2.7994 -2.7992 -2.6211 -2.6204 -2.4556 -2.4550 -1.5004 -1.4990 -1.3125 -1.3109 -1.1969 -1.1950 -0.9016 -0.8996 5.7771 5.7776 5.8156 5.8159 6.7594 6.7597 7.1554 7.1556 k = 0.0395-0.0000 0.3226 ( 5392 PWs) bands (ev): -24.4611 -24.4611 -24.3471 -24.3471 -15.2873 -15.2873 -14.9889 -14.9889 -10.4345 -10.4345 -10.2517 -10.2516 -6.6941 -6.6933 -6.3484 -6.3471 -6.2700 -6.2687 -6.0238 -6.0223 -5.6411 -5.6409 -5.4340 -5.4329 -3.0647 -3.0640 -2.7982 -2.7979 -2.6185 -2.6175 -2.4571 -2.4561 -1.5017 -1.4996 -1.3138 -1.3114 -1.1965 -1.1936 -0.9036 -0.9005 5.7763 5.7769 5.8158 5.8163 6.7712 6.7717 7.1562 7.1565 k = 0.0526-0.0000 0.3226 ( 5392 PWs) bands (ev): -24.4606 -24.4606 -24.3474 -24.3474 -15.2858 -15.2858 -14.9892 -14.9892 -10.4351 -10.4350 -10.2534 -10.2533 -6.6935 -6.6926 -6.3494 -6.3477 -6.2720 -6.2703 -6.0279 -6.0258 -5.6424 -5.6421 -5.4365 -5.4350 -3.0597 -3.0588 -2.7966 -2.7961 -2.6148 -2.6134 -2.4591 -2.4578 -1.5034 -1.5005 -1.3157 -1.3124 -1.1957 -1.1919 -0.9061 -0.9020 5.7752 5.7761 5.8163 5.8170 6.7876 6.7882 7.1573 7.1577 k = 0.0658-0.0000 0.3226 ( 5384 PWs) bands (ev): -24.4600 -24.4600 -24.3476 -24.3476 -15.2839 -15.2839 -14.9895 -14.9895 -10.4358 -10.4357 -10.2556 -10.2554 -6.6928 -6.6916 -6.3507 -6.3486 -6.2745 -6.2724 -6.0330 -6.0305 -5.6440 -5.6436 -5.4396 -5.4377 -3.0534 -3.0523 -2.7943 -2.7938 -2.6102 -2.6085 -2.4616 -2.4598 -1.5053 -1.5019 -1.3179 -1.3138 -1.1944 -1.1897 -0.9090 -0.9038 5.7739 5.7750 5.8170 5.8179 6.8083 6.8091 7.1584 7.1590 k = 0.0789-0.0000 0.3226 ( 5382 PWs) bands (ev): -24.4593 -24.4593 -24.3480 -24.3480 -15.2816 -15.2816 -14.9899 -14.9899 -10.4367 -10.4366 -10.2582 -10.2580 -6.6918 -6.6904 -6.3523 -6.3497 -6.2775 -6.2750 -6.0392 -6.0363 -5.6458 -5.6452 -5.4432 -5.4410 -3.0459 -3.0446 -2.7915 -2.7909 -2.6049 -2.6028 -2.4644 -2.4622 -1.5076 -1.5035 -1.3206 -1.3157 -1.1928 -1.1872 -0.9123 -0.9061 5.7726 5.7739 5.8181 5.8190 6.8334 6.8342 7.1594 7.1601 k = 0.0921-0.0000 0.3226 ( 5384 PWs) bands (ev): -24.4585 -24.4585 -24.3484 -24.3484 -15.2789 -15.2789 -14.9904 -14.9904 -10.4377 -10.4376 -10.2613 -10.2611 -6.6907 -6.6891 -6.3540 -6.3511 -6.2810 -6.2781 -6.0465 -6.0432 -5.6477 -5.6470 -5.4474 -5.4449 -3.0375 -3.0359 -2.7881 -2.7874 -2.5991 -2.5966 -2.4674 -2.4649 -1.5102 -1.5055 -1.3238 -1.3181 -1.1908 -1.1843 -0.9159 -0.9087 5.7713 5.7728 5.8195 5.8206 6.8624 6.8633 7.1600 7.1609 k = 0.1053-0.0000 0.3226 ( 5390 PWs) bands (ev): -24.4576 -24.4576 -24.3489 -24.3489 -15.2759 -15.2759 -14.9909 -14.9909 -10.4389 -10.4387 -10.2648 -10.2646 -6.6894 -6.6876 -6.3560 -6.3526 -6.2849 -6.2815 -6.0549 -6.0512 -5.6496 -5.6487 -5.4521 -5.4492 -3.0281 -3.0264 -2.7840 -2.7833 -2.5930 -2.5901 -2.4705 -2.4677 -1.5130 -1.5077 -1.3276 -1.3210 -1.1883 -1.1809 -0.9197 -0.9115 5.7702 5.7719 5.8214 5.8226 6.8952 6.8962 7.1602 7.1613 k = 0.1184-0.0000 0.3226 ( 5392 PWs) bands (ev): -24.4565 -24.4565 -24.3495 -24.3495 -15.2724 -15.2724 -14.9916 -14.9916 -10.4402 -10.4400 -10.2688 -10.2685 -6.6878 -6.6858 -6.3582 -6.3544 -6.2891 -6.2854 -6.0643 -6.0603 -5.6516 -5.6504 -5.4571 -5.4539 -3.0180 -3.0161 -2.7791 -2.7784 -2.5868 -2.5836 -2.4736 -2.4703 -1.5159 -1.5101 -1.3319 -1.3244 -1.1853 -1.1771 -0.9237 -0.9145 5.7692 5.7711 5.8238 5.8251 6.9315 6.9326 7.1598 7.1610 k = 0.1316-0.0000 0.3226 ( 5394 PWs) bands (ev): -24.4554 -24.4554 -24.3501 -24.3501 -15.2686 -15.2686 -14.9924 -14.9924 -10.4415 -10.4413 -10.2731 -10.2729 -6.6861 -6.6838 -6.3605 -6.3564 -6.2937 -6.2897 -6.0748 -6.0704 -5.6534 -5.6520 -5.4626 -5.4590 -3.0074 -3.0054 -2.7735 -2.7728 -2.5811 -2.5776 -2.4762 -2.4726 -1.5191 -1.5128 -1.3368 -1.3285 -1.1819 -1.1730 -0.9276 -0.9175 5.7686 5.7705 5.8268 5.8282 6.9710 6.9722 7.1585 7.1600 k = 0.1447-0.0000 0.3226 ( 5392 PWs) bands (ev): -24.4541 -24.4541 -24.3508 -24.3508 -15.2644 -15.2644 -14.9933 -14.9933 -10.4430 -10.4428 -10.2778 -10.2776 -6.6841 -6.6816 -6.3630 -6.3585 -6.2987 -6.2943 -6.0861 -6.0816 -5.6551 -5.6534 -5.4683 -5.4644 -2.9965 -2.9943 -2.7671 -2.7663 -2.5763 -2.5725 -2.4780 -2.4742 -1.5224 -1.5156 -1.3423 -1.3331 -1.1780 -1.1683 -0.9315 -0.9205 5.7683 5.7704 5.8304 5.8319 7.0134 7.0147 7.1564 7.1581 k = 0.1579-0.0000 0.3226 ( 5390 PWs) bands (ev): -24.4527 -24.4527 -24.3516 -24.3516 -15.2599 -15.2599 -14.9943 -14.9942 -10.4445 -10.4443 -10.2829 -10.2826 -6.6819 -6.6792 -6.3657 -6.3608 -6.3039 -6.2991 -6.0985 -6.0937 -5.6565 -5.6546 -5.4743 -5.4701 -2.9855 -2.9832 -2.7598 -2.7591 -2.5728 -2.5688 -2.4785 -2.4747 -1.5257 -1.5186 -1.3483 -1.3383 -1.1736 -1.1633 -0.9353 -0.9233 5.7684 5.7707 5.8348 5.8364 7.0584 7.0597 7.1535 7.1554 k = 0.1711-0.0000 0.3226 ( 5390 PWs) bands (ev): -24.4512 -24.4512 -24.3524 -24.3524 -15.2551 -15.2550 -14.9954 -14.9954 -10.4461 -10.4458 -10.2883 -10.2880 -6.6794 -6.6766 -6.3685 -6.3633 -6.3094 -6.3043 -6.1116 -6.1067 -5.6578 -5.6555 -5.4804 -5.4760 -2.9745 -2.9721 -2.7515 -2.7509 -2.5710 -2.5672 -2.4775 -2.4738 -1.5291 -1.5216 -1.3550 -1.3442 -1.1688 -1.1578 -0.9388 -0.9260 5.7691 5.7714 5.8399 5.8416 7.1053 7.1065 7.1501 7.1520 k = 0.1842-0.0000 0.3226 ( 5384 PWs) bands (ev): -24.4496 -24.4496 -24.3533 -24.3533 -15.2499 -15.2499 -14.9966 -14.9966 -10.4477 -10.4474 -10.2940 -10.2937 -6.6767 -6.6737 -6.3714 -6.3659 -6.3150 -6.3096 -6.1256 -6.1205 -5.6587 -5.6562 -5.4867 -5.4820 -2.9636 -2.9612 -2.7424 -2.7418 -2.5712 -2.5678 -2.4748 -2.4714 -1.5324 -1.5246 -1.3622 -1.3507 -1.1634 -1.1518 -0.9420 -0.9284 5.7703 5.7727 5.8459 5.8476 7.1421 7.1444 7.1576 7.1590 k = 0.1974-0.0000 0.3226 ( 5386 PWs) bands (ev): -24.4479 -24.4479 -24.3543 -24.3543 -15.2444 -15.2444 -14.9980 -14.9980 -10.4493 -10.4490 -10.3000 -10.2997 -6.6737 -6.6706 -6.3745 -6.3687 -6.3209 -6.3152 -6.1402 -6.1350 -5.6594 -5.6565 -5.4931 -5.4881 -2.9531 -2.9506 -2.7323 -2.7319 -2.5734 -2.5705 -2.4705 -2.4677 -1.5357 -1.5277 -1.3699 -1.3578 -1.1577 -1.1455 -0.9449 -0.9306 5.7721 5.7747 5.8526 5.8544 7.1386 7.1414 7.2061 7.2078 k = 0.2105-0.0000 0.3226 ( 5384 PWs) bands (ev): -24.4461 -24.4461 -24.3554 -24.3554 -15.2387 -15.2387 -14.9996 -14.9996 -10.4509 -10.4506 -10.3063 -10.3059 -6.6705 -6.6672 -6.3776 -6.3715 -6.3268 -6.3209 -6.1555 -6.1501 -5.6598 -5.6565 -5.4995 -5.4942 -2.9429 -2.9405 -2.7213 -2.7211 -2.5774 -2.5751 -2.4650 -2.4628 -1.5390 -1.5306 -1.3781 -1.3654 -1.1514 -1.1387 -0.9474 -0.9325 5.7746 5.7772 5.8601 5.8620 7.1330 7.1360 7.2576 7.2593 k = 0.2237-0.0000 0.3226 ( 5388 PWs) bands (ev): -24.4442 -24.4442 -24.3565 -24.3565 -15.2327 -15.2327 -15.0013 -15.0013 -10.4525 -10.4522 -10.3128 -10.3124 -6.6670 -6.6636 -6.3809 -6.3745 -6.3328 -6.3266 -6.1713 -6.1658 -5.6598 -5.6563 -5.5059 -5.5004 -2.9332 -2.9308 -2.7095 -2.7095 -2.5828 -2.5811 -2.4588 -2.4572 -1.5420 -1.5335 -1.3867 -1.3735 -1.1448 -1.1316 -0.9496 -0.9341 5.7777 5.7804 5.8684 5.8704 7.1270 7.1302 7.3098 7.3115 k = 0.2368-0.0000 0.3226 ( 5392 PWs) bands (ev): -24.4423 -24.4423 -24.3577 -24.3577 -15.2265 -15.2265 -15.0032 -15.0032 -10.4541 -10.4538 -10.3194 -10.3190 -6.6632 -6.6597 -6.3842 -6.3775 -6.3389 -6.3324 -6.1875 -6.1819 -5.6596 -5.6557 -5.5123 -5.5066 -2.9240 -2.9216 -2.6973 -2.6970 -2.5895 -2.5883 -2.4523 -2.4512 -1.5450 -1.5362 -1.3957 -1.3820 -1.1377 -1.1241 -0.9514 -0.9353 5.7815 5.7842 5.8774 5.8794 7.1210 7.1244 7.3621 7.3638 k = 0.2500-0.0000 0.3226 ( 5394 PWs) bands (ev): -24.4402 -24.4402 -24.3589 -24.3589 -15.2201 -15.2201 -15.0053 -15.0052 -10.4556 -10.4552 -10.3262 -10.3258 -6.6592 -6.6555 -6.3875 -6.3806 -6.3449 -6.3382 -6.2040 -6.1984 -5.6590 -5.6548 -5.5187 -5.5127 -2.9152 -2.9129 -2.6844 -2.6839 -2.5971 -2.5963 -2.4459 -2.4452 -1.5477 -1.5388 -1.4050 -1.3908 -1.1303 -1.1162 -0.9529 -0.9364 5.7860 5.7888 5.8869 5.8890 7.1153 7.1189 7.4139 7.4157 k = 0.2632-0.0000 0.3226 ( 5392 PWs) bands (ev): -24.4382 -24.4382 -24.3603 -24.3603 -15.2135 -15.2135 -15.0075 -15.0075 -10.4569 -10.4566 -10.3332 -10.3327 -6.6548 -6.6510 -6.3909 -6.3837 -6.3508 -6.3440 -6.2208 -6.2151 -5.6582 -5.6537 -5.5249 -5.5188 -2.9068 -2.9046 -2.6711 -2.6703 -2.6053 -2.6049 -2.4398 -2.4395 -1.5502 -1.5412 -1.4145 -1.4000 -1.1225 -1.1081 -0.9540 -0.9371 5.7912 5.7940 5.8970 5.8990 7.1103 7.1141 7.4647 7.4665 k = 0.2763-0.0000 0.3226 ( 5390 PWs) bands (ev): -24.4360 -24.4360 -24.3616 -24.3616 -15.2067 -15.2067 -15.0100 -15.0099 -10.4582 -10.4578 -10.3402 -10.3397 -6.6500 -6.6462 -6.3944 -6.3869 -6.3567 -6.3497 -6.2377 -6.2319 -5.6571 -5.6523 -5.5311 -5.5247 -2.8989 -2.8968 -2.6576 -2.6564 -2.6141 -2.6139 -2.4341 -2.4341 -1.5525 -1.5433 -1.4241 -1.4093 -1.1144 -1.0998 -0.9549 -0.9377 5.7970 5.7999 5.9073 5.9094 7.1062 7.1102 7.5136 7.5155 k = 0.2895-0.0000 0.3226 ( 5394 PWs) bands (ev): -24.4338 -24.4338 -24.3631 -24.3631 -15.1997 -15.1997 -15.0126 -15.0126 -10.4593 -10.4589 -10.3472 -10.3468 -6.6450 -6.6410 -6.3978 -6.3901 -6.3625 -6.3552 -6.2546 -6.2488 -5.6558 -5.6506 -5.5371 -5.5305 -2.8913 -2.8892 -2.6441 -2.6424 -2.6232 -2.6229 -2.4293 -2.4290 -1.5545 -1.5452 -1.4337 -1.4187 -1.1062 -1.0912 -0.9556 -0.9381 5.8035 5.8064 5.9178 5.9199 7.1036 7.1078 7.5599 7.5618 k = 0.3026-0.0000 0.3226 ( 5382 PWs) bands (ev): -24.4315 -24.4315 -24.3646 -24.3646 -15.1927 -15.1926 -15.0155 -15.0154 -10.4603 -10.4599 -10.3543 -10.3538 -6.6396 -6.6356 -6.4013 -6.3933 -6.3680 -6.3606 -6.2715 -6.2656 -5.6542 -5.6488 -5.5429 -5.5362 -2.8839 -2.8820 -2.6363 -2.6339 -2.6270 -2.6265 -2.4251 -2.4247 -1.5563 -1.5468 -1.4433 -1.4281 -1.0977 -1.0824 -0.9561 -0.9384 5.8107 5.8136 5.9282 5.9303 7.1027 7.1070 7.6026 7.6046 k = 0.3158-0.0000 0.3226 ( 5386 PWs) bands (ev): -24.4292 -24.4292 -24.3662 -24.3662 -15.1855 -15.1855 -15.0186 -15.0185 -10.4610 -10.4606 -10.3614 -10.3609 -6.6338 -6.6298 -6.4047 -6.3966 -6.3733 -6.3658 -6.2883 -6.2823 -5.6524 -5.6468 -5.5486 -5.5418 -2.8768 -2.8749 -2.6442 -2.6429 -2.6145 -2.6135 -2.4217 -2.4211 -1.5578 -1.5482 -1.4528 -1.4375 -1.0891 -1.0736 -0.9565 -0.9387 5.8184 5.8214 5.9383 5.9404 7.1039 7.1084 7.6408 7.6427 k = 0.3289-0.0000 0.3226 ( 5394 PWs) bands (ev): -24.4268 -24.4268 -24.3679 -24.3679 -15.1782 -15.1782 -15.0219 -15.0218 -10.4616 -10.4612 -10.3684 -10.3679 -6.6277 -6.6236 -6.4083 -6.4000 -6.3785 -6.3708 -6.3047 -6.2987 -5.6505 -5.6445 -5.5542 -5.5472 -2.8699 -2.8680 -2.6540 -2.6527 -2.6008 -2.5996 -2.4190 -2.4184 -1.5590 -1.5492 -1.4620 -1.4467 -1.0804 -1.0647 -0.9570 -0.9390 5.8268 5.8297 5.9478 5.9500 7.1076 7.1121 7.6732 7.6750 k = 0.3421-0.0000 0.3226 ( 5390 PWs) bands (ev): -24.4244 -24.4244 -24.3696 -24.3696 -15.1709 -15.1709 -15.0254 -15.0254 -10.4619 -10.4615 -10.3753 -10.3749 -6.6212 -6.6171 -6.4119 -6.4035 -6.3833 -6.3756 -6.3208 -6.3147 -5.6483 -5.6422 -5.5596 -5.5525 -2.8630 -2.8612 -2.6640 -2.6626 -2.5872 -2.5858 -2.4172 -2.4165 -1.5600 -1.5500 -1.4710 -1.4557 -1.0718 -1.0558 -0.9574 -0.9394 5.8356 5.8386 5.9566 5.9588 7.1140 7.1187 7.6986 7.7003 k = 0.3553-0.0000 0.3226 ( 5402 PWs) bands (ev): -24.4220 -24.4220 -24.3715 -24.3715 -15.1635 -15.1635 -15.0292 -15.0291 -10.4620 -10.4616 -10.3822 -10.3817 -6.6143 -6.6102 -6.4157 -6.4072 -6.3879 -6.3800 -6.3363 -6.3302 -5.6460 -5.6396 -5.5648 -5.5576 -2.8562 -2.8545 -2.6740 -2.6725 -2.5739 -2.5723 -2.4162 -2.4154 -1.5606 -1.5505 -1.4797 -1.4644 -1.0631 -1.0470 -0.9580 -0.9399 5.8449 5.8479 5.9643 5.9665 7.1235 7.1282 7.7161 7.7175 k = 0.3684-0.0000 0.3226 ( 5414 PWs) bands (ev): -24.4196 -24.4196 -24.3733 -24.3733 -15.1562 -15.1561 -15.0332 -15.0331 -10.4619 -10.4614 -10.3889 -10.3884 -6.6070 -6.6029 -6.4197 -6.4114 -6.3921 -6.3842 -6.3509 -6.3450 -5.6436 -5.6370 -5.5699 -5.5626 -2.8495 -2.8478 -2.6840 -2.6825 -2.5608 -2.5591 -2.4160 -2.4153 -1.5610 -1.5506 -1.4881 -1.4728 -1.0546 -1.0383 -0.9587 -0.9406 5.8546 5.8576 5.9708 5.9731 7.1362 7.1410 7.7247 7.7258 k = 0.3816-0.0000 0.3226 ( 5410 PWs) bands (ev): -24.4171 -24.4171 -24.3752 -24.3752 -15.1488 -15.1488 -15.0374 -15.0374 -10.4614 -10.4609 -10.3954 -10.3949 -6.5993 -6.5953 -6.4243 -6.4162 -6.3960 -6.3880 -6.3643 -6.3588 -5.6410 -5.6342 -5.5748 -5.5674 -2.8427 -2.8410 -2.6940 -2.6923 -2.5481 -2.5464 -2.4166 -2.4159 -1.5610 -1.5505 -1.4960 -1.4809 -1.0462 -1.0297 -0.9597 -0.9415 5.8647 5.8677 5.9760 5.9782 7.1524 7.1572 7.7241 7.7248 k = 0.3947-0.0000 0.3226 ( 5416 PWs) bands (ev): -24.4146 -24.4146 -24.3772 -24.3772 -15.1414 -15.1414 -15.0419 -15.0419 -10.4606 -10.4602 -10.4017 -10.4012 -6.5912 -6.5872 -6.4296 -6.4224 -6.3995 -6.3915 -6.3759 -6.3713 -5.6382 -5.6313 -5.5795 -5.5721 -2.8359 -2.8342 -2.7038 -2.7021 -2.5359 -2.5342 -2.4180 -2.4174 -1.5607 -1.5500 -1.5034 -1.4885 -1.0380 -1.0214 -0.9609 -0.9428 5.8750 5.8780 5.9796 5.9819 7.1721 7.1769 7.7146 7.7147 k = 0.4079-0.0000 0.3226 ( 5422 PWs) bands (ev): -24.4121 -24.4121 -24.3793 -24.3793 -15.1341 -15.1341 -15.0466 -15.0466 -10.4595 -10.4591 -10.4078 -10.4073 -6.5826 -6.5787 -6.4360 -6.4302 -6.4026 -6.3947 -6.3852 -6.3821 -5.6354 -5.6283 -5.5841 -5.5766 -2.8289 -2.8273 -2.7135 -2.7118 -2.5241 -2.5224 -2.4202 -2.4198 -1.5601 -1.5491 -1.5105 -1.4957 -1.0301 -1.0133 -0.9624 -0.9444 5.8855 5.8884 5.9816 5.9840 7.1954 7.2001 7.6963 7.6968 k = 0.4211-0.0000 0.3226 ( 5422 PWs) bands (ev): -24.4096 -24.4096 -24.3814 -24.3814 -15.1269 -15.1269 -15.0516 -15.0516 -10.4581 -10.4576 -10.4136 -10.4131 -6.5737 -6.5698 -6.4438 -6.4398 -6.4053 -6.3975 -6.3922 -6.3909 -5.6324 -5.6252 -5.5886 -5.5810 -2.8219 -2.8202 -2.7231 -2.7213 -2.5128 -2.5112 -2.4232 -2.4229 -1.5592 -1.5480 -1.5170 -1.5024 -1.0224 -1.0056 -0.9644 -0.9463 5.8960 5.8990 5.9820 5.9845 7.2221 7.2267 7.6708 7.6718 k = 0.4342-0.0000 0.3226 ( 5424 PWs) bands (ev): -24.4072 -24.4072 -24.3835 -24.3835 -15.1198 -15.1197 -15.0568 -15.0567 -10.4563 -10.4559 -10.4191 -10.4186 -6.5642 -6.5605 -6.4529 -6.4508 -6.4076 -6.3999 -6.3977 -6.3970 -5.6294 -5.6221 -5.5929 -5.5852 -2.8147 -2.8130 -2.7325 -2.7306 -2.5020 -2.5005 -2.4269 -2.4267 -1.5579 -1.5464 -1.5230 -1.5087 -1.0151 -0.9982 -0.9667 -0.9487 5.9066 5.9095 5.9809 5.9833 7.2521 7.2566 7.6394 7.6410 k = 0.4474-0.0000 0.3226 ( 5426 PWs) bands (ev): -24.4047 -24.4047 -24.3857 -24.3857 -15.1127 -15.1127 -15.0622 -15.0622 -10.4542 -10.4537 -10.4244 -10.4239 -6.5544 -6.5508 -6.4633 -6.4626 -6.4094 -6.4026 -6.4019 -6.4003 -5.6262 -5.6188 -5.5970 -5.5894 -2.8074 -2.8057 -2.7416 -2.7398 -2.4918 -2.4904 -2.4313 -2.4313 -1.5563 -1.5445 -1.5286 -1.5145 -1.0082 -0.9912 -0.9694 -0.9515 5.9170 5.9198 5.9782 5.9807 7.2851 7.2896 7.6037 7.6057 k = 0.4605-0.0000 0.3226 ( 5426 PWs) bands (ev): -24.4022 -24.4022 -24.3880 -24.3880 -15.1058 -15.1058 -15.0678 -15.0678 -10.4517 -10.4512 -10.4293 -10.4288 -6.5441 -6.5407 -6.4747 -6.4743 -6.4106 -6.4062 -6.4035 -6.4025 -5.6229 -5.6154 -5.6011 -5.5934 -2.7999 -2.7982 -2.7506 -2.7488 -2.4821 -2.4808 -2.4367 -2.4364 -1.5543 -1.5423 -1.5336 -1.5198 -1.0018 -0.9846 -0.9726 -0.9548 5.9271 5.9299 5.9740 5.9766 7.3209 7.3252 7.5648 7.5673 k = 0.4737-0.0000 0.3226 ( 5426 PWs) bands (ev): -24.3998 -24.3998 -24.3903 -24.3903 -15.0991 -15.0990 -15.0737 -15.0737 -10.4489 -10.4484 -10.4340 -10.4334 -6.5334 -6.5303 -6.4870 -6.4856 -6.4114 -6.4087 -6.4046 -6.4040 -5.6195 -5.6120 -5.6050 -5.5973 -2.7922 -2.7904 -2.7593 -2.7575 -2.4730 -2.4719 -2.4426 -2.4422 -1.5519 -1.5396 -1.5382 -1.5247 -0.9957 -0.9784 -0.9762 -0.9585 5.9368 5.9396 5.9686 5.9712 7.3590 7.3631 7.5239 7.5268 k = 0.4868-0.0000 0.3226 ( 5426 PWs) bands (ev): -24.3973 -24.3973 -24.3926 -24.3926 -15.0924 -15.0924 -15.0798 -15.0797 -10.4457 -10.4452 -10.4382 -10.4377 -6.5223 -6.5195 -6.4990 -6.4971 -6.4116 -6.4103 -6.4052 -6.4049 -5.6161 -5.6088 -5.6085 -5.6011 -2.7843 -2.7825 -2.7679 -2.7661 -2.4645 -2.4635 -2.4493 -2.4487 -1.5492 -1.5423 -1.5365 -1.5291 -0.9901 -0.9804 -0.9727 -0.9628 5.9459 5.9487 5.9620 5.9647 7.3990 7.4028 7.4821 7.4854 k = 0.5000-0.0000 0.3226 ( 5428 PWs) bands (ev): -24.3950 -24.3950 -24.3949 -24.3949 -15.0860 -15.0860 -15.0860 -15.0860 -10.4421 -10.4421 -10.4416 -10.4416 -6.5108 -6.5108 -6.5084 -6.5084 -6.4113 -6.4113 -6.4053 -6.4053 -5.6125 -5.6125 -5.6048 -5.6048 -2.7762 -2.7762 -2.7744 -2.7744 -2.4566 -2.4566 -2.4558 -2.4558 -1.5460 -1.5460 -1.5330 -1.5330 -0.9850 -0.9850 -0.9675 -0.9675 5.9544 5.9544 5.9571 5.9571 7.4402 7.4402 7.4438 7.4438 Writing output data file H2CClF.save init_run : 1.14s CPU 0.73s WALL ( 1 calls) electrons : 226.23s CPU 145.82s WALL ( 1 calls) Called by init_run: wfcinit : 0.02s CPU 0.02s WALL ( 1 calls) potinit : 0.12s CPU 0.10s WALL ( 1 calls) Called by electrons: c_bands : 226.22s CPU 145.81s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.18s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.34s CPU 0.42s WALL ( 283 calls) cegterg : 198.86s CPU 129.31s WALL ( 289 calls) Called by sum_band: Called by *egterg: h_psi : 133.22s CPU 78.82s WALL ( 5364 calls) s_psi : 7.18s CPU 4.26s WALL ( 5364 calls) g_psi : 0.32s CPU 0.22s WALL ( 4792 calls) cdiaghg : 54.96s CPU 41.15s WALL ( 5075 calls) cegterg:over : 10.04s CPU 6.58s WALL ( 4792 calls) cegterg:upda : 7.82s CPU 5.38s WALL ( 4792 calls) cegterg:last : 3.85s CPU 2.72s WALL ( 855 calls) cdiaghg:chol : 3.04s CPU 2.33s WALL ( 5075 calls) cdiaghg:inve : 2.01s CPU 1.47s WALL ( 5075 calls) cdiaghg:para : 2.93s CPU 2.27s WALL ( 10150 calls) Called by h_psi: h_psi:vloc : 115.41s CPU 67.93s WALL ( 5364 calls) h_psi:vnl : 17.45s CPU 10.68s WALL ( 5364 calls) add_vuspsi : 9.59s CPU 5.71s WALL ( 5364 calls) General routines calbec : 7.81s CPU 4.95s WALL ( 5364 calls) fft : 0.04s CPU 0.02s WALL ( 19 calls) ffts : 0.02s CPU 0.01s WALL ( 4 calls) fftw : 108.10s CPU 63.18s WALL ( 559628 calls) interpolate : 0.03s CPU 0.01s WALL ( 4 calls) davcio : 0.29s CPU 0.88s WALL ( 566 calls) Parallel routines fft_scatter : 47.74s CPU 29.48s WALL ( 559651 calls) PWSCF : 4m 2.72s CPU 2m53.80s WALL This run was terminated on: 15:45:51 10Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=