Program PWSCF v.5.4.0 starts on 12Feb2017 at 4:13:52 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: ./LiMgSbPt.save/ file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized file Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P renormalized file Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 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 58 56 15 1787 1648 242 Max 59 57 16 1792 1667 246 Sum 2107 2017 559 64431 59679 8801 bravais-lattice index = 14 lattice parameter (alat) = 8.4290 a.u. unit-cell volume = 423.4592 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 4 number of electrons = 28.00 number of Kohn-Sham states= 36 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 433.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.428990 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.500000 celldm(5)= 0.500000 celldm(6)= 0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.500000 0.866025 0.000000 ) a(3) = ( 0.500000 0.288675 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.577350 -0.408248 ) b(2) = ( 0.000000 1.154701 -0.408248 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Sb read from file: /users/gautes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Mg read from file: /users/gautes/Pseudo/Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 99618f2d1dea131ec68d28ce241ef835 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1129 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 Pt read from file: /users/gautes/Pseudo/Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5a767c0d250ba2b616d7addddc548ecc Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1277 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Li 3.00 6.94100 Li( 1.00) Sb 5.00 121.76000 Sb( 1.00) Mg 10.00 24.30500 Mg( 1.00) Pt 10.00 195.08400 Pt( 1.00) 6 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 120 deg rotation - cryst. axis [0,0,1] cryst. s( 2) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 2) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 3) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 3) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 4) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 5) = ( 0.5000000 0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s( 6) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_3v (3m) there are 6 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3s_v -3s_v G_4 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6 1.00 -1.00 -1.00 1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3s_v -3s_v G_4 0.00 0.00 0.00 0.00 0.00 0.00 G_5 0.00 0.00 0.00 0.00 1.00 -1.00 G_6 0.00 0.00 0.00 0.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 2 3 120 deg rotation - cryst. axis [0,0,1] -2C3 -2 -3 120 deg rotation - cryst. axis [0,0,1] E 3s_v 4 5 -6 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 6 -4 -5 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 334 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029940 k( 2) = ( 0.0100000 -0.0057735 0.0081650), wk = 0.0029940 k( 3) = ( 0.0200000 -0.0115470 0.0163299), wk = 0.0029940 k( 4) = ( 0.0300000 -0.0173205 0.0244949), wk = 0.0029940 k( 5) = ( 0.0400000 -0.0230940 0.0326599), wk = 0.0029940 k( 6) = ( 0.0500000 -0.0288675 0.0408248), wk = 0.0029940 k( 7) = ( 0.0600000 -0.0346410 0.0489898), wk = 0.0029940 k( 8) = ( 0.0700000 -0.0404145 0.0571548), wk = 0.0029940 k( 9) = ( 0.0800000 -0.0461880 0.0653197), wk = 0.0029940 k( 10) = ( 0.0900000 -0.0519615 0.0734847), wk = 0.0029940 k( 11) = ( 0.1000000 -0.0577350 0.0816497), wk = 0.0029940 k( 12) = ( 0.1100000 -0.0635085 0.0898146), wk = 0.0029940 k( 13) = ( 0.1200000 -0.0692820 0.0979796), wk = 0.0029940 k( 14) = ( 0.1300000 -0.0750555 0.1061446), wk = 0.0029940 k( 15) = ( 0.1400000 -0.0808290 0.1143095), wk = 0.0029940 k( 16) = ( 0.1500000 -0.0866025 0.1224745), wk = 0.0029940 k( 17) = ( 0.1600000 -0.0923760 0.1306395), wk = 0.0029940 k( 18) = ( 0.1700000 -0.0981495 0.1388044), wk = 0.0029940 k( 19) = ( 0.1800000 -0.1039230 0.1469694), wk = 0.0029940 k( 20) = ( 0.1900000 -0.1096966 0.1551344), wk = 0.0029940 k( 21) = ( 0.2000000 -0.1154701 0.1632993), wk = 0.0029940 k( 22) = ( 0.2100000 -0.1212436 0.1714643), wk = 0.0029940 k( 23) = ( 0.2200000 -0.1270171 0.1796292), wk = 0.0029940 k( 24) = ( 0.2300000 -0.1327906 0.1877942), wk = 0.0029940 k( 25) = ( 0.2400000 -0.1385641 0.1959592), wk = 0.0029940 k( 26) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0029940 k( 27) = ( 0.2600000 -0.1501111 0.2122891), wk = 0.0029940 k( 28) = ( 0.2700000 -0.1558846 0.2204541), wk = 0.0029940 k( 29) = ( 0.2800000 -0.1616581 0.2286190), wk = 0.0029940 k( 30) = ( 0.2900000 -0.1674316 0.2367840), wk = 0.0029940 k( 31) = ( 0.3000000 -0.1732051 0.2449490), wk = 0.0029940 k( 32) = ( 0.3100000 -0.1789786 0.2531139), wk = 0.0029940 k( 33) = ( 0.3200000 -0.1847521 0.2612789), wk = 0.0029940 k( 34) = ( 0.3300000 -0.1905256 0.2694439), wk = 0.0029940 k( 35) = ( 0.3400000 -0.1962991 0.2776088), wk = 0.0029940 k( 36) = ( 0.3500000 -0.2020726 0.2857738), wk = 0.0029940 k( 37) = ( 0.3600000 -0.2078461 0.2939388), wk = 0.0029940 k( 38) = ( 0.3700000 -0.2136196 0.3021037), wk = 0.0029940 k( 39) = ( 0.3800000 -0.2193931 0.3102687), wk = 0.0029940 k( 40) = ( 0.3900000 -0.2251666 0.3184337), wk = 0.0029940 k( 41) = ( 0.4000000 -0.2309401 0.3265986), wk = 0.0029940 k( 42) = ( 0.4100000 -0.2367136 0.3347636), wk = 0.0029940 k( 43) = ( 0.4200000 -0.2424871 0.3429286), wk = 0.0029940 k( 44) = ( 0.4300000 -0.2482606 0.3510935), wk = 0.0029940 k( 45) = ( 0.4400000 -0.2540341 0.3592585), wk = 0.0029940 k( 46) = ( 0.4500000 -0.2598076 0.3674235), wk = 0.0029940 k( 47) = ( 0.4600000 -0.2655811 0.3755884), wk = 0.0029940 k( 48) = ( 0.4700000 -0.2713546 0.3837534), wk = 0.0029940 k( 49) = ( 0.4800000 -0.2771281 0.3919184), wk = 0.0029940 k( 50) = ( 0.4900000 -0.2829016 0.4000833), wk = 0.0029940 k( 51) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0029940 k( 52) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0029940 k( 53) = ( 0.5000000 -0.2771281 0.4164133), wk = 0.0029940 k( 54) = ( 0.5000000 -0.2655811 0.4245782), wk = 0.0029940 k( 55) = ( 0.5000000 -0.2540341 0.4327432), wk = 0.0029940 k( 56) = ( 0.5000000 -0.2424871 0.4409082), wk = 0.0029940 k( 57) = ( 0.5000000 -0.2309401 0.4490731), wk = 0.0029940 k( 58) = ( 0.5000000 -0.2193931 0.4572381), wk = 0.0029940 k( 59) = ( 0.5000000 -0.2078461 0.4654031), wk = 0.0029940 k( 60) = ( 0.5000000 -0.1962991 0.4735680), wk = 0.0029940 k( 61) = ( 0.5000000 -0.1847521 0.4817330), wk = 0.0029940 k( 62) = ( 0.5000000 -0.1732051 0.4898979), wk = 0.0029940 k( 63) = ( 0.5000000 -0.1616581 0.4980629), wk = 0.0029940 k( 64) = ( 0.5000000 -0.1501111 0.5062279), wk = 0.0029940 k( 65) = ( 0.5000000 -0.1385641 0.5143928), wk = 0.0029940 k( 66) = ( 0.5000000 -0.1270171 0.5225578), wk = 0.0029940 k( 67) = ( 0.5000000 -0.1154701 0.5307228), wk = 0.0029940 k( 68) = ( 0.5000000 -0.1039230 0.5388877), wk = 0.0029940 k( 69) = ( 0.5000000 -0.0923760 0.5470527), wk = 0.0029940 k( 70) = ( 0.5000000 -0.0808290 0.5552177), wk = 0.0029940 k( 71) = ( 0.5000000 -0.0692820 0.5633826), wk = 0.0029940 k( 72) = ( 0.5000000 -0.0577350 0.5715476), wk = 0.0029940 k( 73) = ( 0.5000000 -0.0461880 0.5797126), wk = 0.0029940 k( 74) = ( 0.5000000 -0.0346410 0.5878775), wk = 0.0029940 k( 75) = ( 0.5000000 -0.0230940 0.5960425), wk = 0.0029940 k( 76) = ( 0.5000000 -0.0115470 0.6042075), wk = 0.0029940 k( 77) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0029940 k( 78) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0029940 k( 79) = ( 0.4930556 0.0120281 0.6123724), wk = 0.0029940 k( 80) = ( 0.4861111 0.0240563 0.6123724), wk = 0.0029940 k( 81) = ( 0.4791667 0.0360844 0.6123724), wk = 0.0029940 k( 82) = ( 0.4722222 0.0481125 0.6123724), wk = 0.0029940 k( 83) = ( 0.4652778 0.0601406 0.6123724), wk = 0.0029940 k( 84) = ( 0.4583333 0.0721688 0.6123724), wk = 0.0029940 k( 85) = ( 0.4513889 0.0841969 0.6123724), wk = 0.0029940 k( 86) = ( 0.4444444 0.0962251 0.6123724), wk = 0.0029940 k( 87) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0029940 k( 88) = ( 0.4305556 0.1202813 0.6123724), wk = 0.0029940 k( 89) = ( 0.4236111 0.1323094 0.6123724), wk = 0.0029940 k( 90) = ( 0.4166667 0.1443376 0.6123724), wk = 0.0029940 k( 91) = ( 0.4097222 0.1563657 0.6123724), wk = 0.0029940 k( 92) = ( 0.4027778 0.1683938 0.6123724), wk = 0.0029940 k( 93) = ( 0.3958333 0.1804220 0.6123724), wk = 0.0029940 k( 94) = ( 0.3888889 0.1924501 0.6123724), wk = 0.0029940 k( 95) = ( 0.3819444 0.2044782 0.6123724), wk = 0.0029940 k( 96) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0029940 k( 97) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0029940 k( 98) = ( 0.3679245 0.2124213 0.6008182), wk = 0.0029940 k( 99) = ( 0.3608491 0.2083363 0.5892640), wk = 0.0029940 k( 100) = ( 0.3537736 0.2042513 0.5777098), wk = 0.0029940 k( 101) = ( 0.3466981 0.2001662 0.5661557), wk = 0.0029940 k( 102) = ( 0.3396226 0.1960812 0.5546014), wk = 0.0029940 k( 103) = ( 0.3325472 0.1919962 0.5430473), wk = 0.0029940 k( 104) = ( 0.3254717 0.1879112 0.5314931), wk = 0.0029940 k( 105) = ( 0.3183962 0.1838261 0.5199389), wk = 0.0029940 k( 106) = ( 0.3113207 0.1797411 0.5083847), wk = 0.0029940 k( 107) = ( 0.3042453 0.1756561 0.4968305), wk = 0.0029940 k( 108) = ( 0.2971698 0.1715711 0.4852763), wk = 0.0029940 k( 109) = ( 0.2900943 0.1674860 0.4737221), wk = 0.0029940 k( 110) = ( 0.2830189 0.1634010 0.4621679), wk = 0.0029940 k( 111) = ( 0.2759434 0.1593160 0.4506137), wk = 0.0029940 k( 112) = ( 0.2688679 0.1552310 0.4390595), wk = 0.0029940 k( 113) = ( 0.2617925 0.1511459 0.4275053), wk = 0.0029940 k( 114) = ( 0.2547170 0.1470609 0.4159511), wk = 0.0029940 k( 115) = ( 0.2476415 0.1429759 0.4043969), wk = 0.0029940 k( 116) = ( 0.2405660 0.1388909 0.3928427), wk = 0.0029940 k( 117) = ( 0.2334906 0.1348058 0.3812885), wk = 0.0029940 k( 118) = ( 0.2264151 0.1307208 0.3697343), wk = 0.0029940 k( 119) = ( 0.2193396 0.1266358 0.3581801), wk = 0.0029940 k( 120) = ( 0.2122642 0.1225508 0.3466259), wk = 0.0029940 k( 121) = ( 0.2051887 0.1184657 0.3350717), wk = 0.0029940 k( 122) = ( 0.1981132 0.1143807 0.3235175), wk = 0.0029940 k( 123) = ( 0.1910377 0.1102957 0.3119633), wk = 0.0029940 k( 124) = ( 0.1839623 0.1062107 0.3004091), wk = 0.0029940 k( 125) = ( 0.1768868 0.1021256 0.2888549), wk = 0.0029940 k( 126) = ( 0.1698113 0.0980406 0.2773007), wk = 0.0029940 k( 127) = ( 0.1627358 0.0939556 0.2657465), wk = 0.0029940 k( 128) = ( 0.1556604 0.0898706 0.2541923), wk = 0.0029940 k( 129) = ( 0.1485849 0.0857855 0.2426381), wk = 0.0029940 k( 130) = ( 0.1415094 0.0817005 0.2310839), wk = 0.0029940 k( 131) = ( 0.1344340 0.0776155 0.2195297), wk = 0.0029940 k( 132) = ( 0.1273585 0.0735305 0.2079755), wk = 0.0029940 k( 133) = ( 0.1202830 0.0694454 0.1964213), wk = 0.0029940 k( 134) = ( 0.1132076 0.0653604 0.1848671), wk = 0.0029940 k( 135) = ( 0.1061321 0.0612754 0.1733129), wk = 0.0029940 k( 136) = ( 0.0990566 0.0571904 0.1617588), wk = 0.0029940 k( 137) = ( 0.0919811 0.0531053 0.1502046), wk = 0.0029940 k( 138) = ( 0.0849057 0.0490203 0.1386504), wk = 0.0029940 k( 139) = ( 0.0778302 0.0449353 0.1270962), wk = 0.0029940 k( 140) = ( 0.0707547 0.0408503 0.1155420), wk = 0.0029940 k( 141) = ( 0.0636793 0.0367652 0.1039878), wk = 0.0029940 k( 142) = ( 0.0566038 0.0326802 0.0924336), wk = 0.0029940 k( 143) = ( 0.0495283 0.0285952 0.0808794), wk = 0.0029940 k( 144) = ( 0.0424528 0.0245102 0.0693252), wk = 0.0029940 k( 145) = ( 0.0353774 0.0204251 0.0577710), wk = 0.0029940 k( 146) = ( 0.0283019 0.0163401 0.0462168), wk = 0.0029940 k( 147) = ( 0.0212264 0.0122551 0.0346626), wk = 0.0029940 k( 148) = ( 0.0141509 0.0081700 0.0231084), wk = 0.0029940 k( 149) = ( 0.0070755 0.0040850 0.0115542), wk = 0.0029940 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029940 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029940 k( 152) = ( 0.0113636 0.0065608 0.0046392), wk = 0.0029940 k( 153) = ( 0.0227273 0.0131216 0.0092784), wk = 0.0029940 k( 154) = ( 0.0340909 0.0196824 0.0139176), wk = 0.0029940 k( 155) = ( 0.0454546 0.0262432 0.0185567), wk = 0.0029940 k( 156) = ( 0.0568182 0.0328040 0.0231959), wk = 0.0029940 k( 157) = ( 0.0681818 0.0393648 0.0278351), wk = 0.0029940 k( 158) = ( 0.0795455 0.0459256 0.0324743), wk = 0.0029940 k( 159) = ( 0.0909091 0.0524864 0.0371135), wk = 0.0029940 k( 160) = ( 0.1022727 0.0590472 0.0417527), wk = 0.0029940 k( 161) = ( 0.1136364 0.0656080 0.0463918), wk = 0.0029940 k( 162) = ( 0.1250000 0.0721688 0.0510310), wk = 0.0029940 k( 163) = ( 0.1363636 0.0787296 0.0556702), wk = 0.0029940 k( 164) = ( 0.1477273 0.0852904 0.0603094), wk = 0.0029940 k( 165) = ( 0.1590909 0.0918512 0.0649486), wk = 0.0029940 k( 166) = ( 0.1704546 0.0984120 0.0695878), wk = 0.0029940 k( 167) = ( 0.1818182 0.1049728 0.0742270), wk = 0.0029940 k( 168) = ( 0.1931818 0.1115336 0.0788661), wk = 0.0029940 k( 169) = ( 0.2045454 0.1180944 0.0835053), wk = 0.0029940 k( 170) = ( 0.2159091 0.1246552 0.0881445), wk = 0.0029940 k( 171) = ( 0.2272727 0.1312160 0.0927837), wk = 0.0029940 k( 172) = ( 0.2386364 0.1377768 0.0974229), wk = 0.0029940 k( 173) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0029940 k( 174) = ( 0.2613636 0.1508984 0.1067013), wk = 0.0029940 k( 175) = ( 0.2727273 0.1574592 0.1113404), wk = 0.0029940 k( 176) = ( 0.2840909 0.1640200 0.1159796), wk = 0.0029940 k( 177) = ( 0.2954545 0.1705808 0.1206188), wk = 0.0029940 k( 178) = ( 0.3068182 0.1771416 0.1252580), wk = 0.0029940 k( 179) = ( 0.3181818 0.1837024 0.1298972), wk = 0.0029940 k( 180) = ( 0.3295455 0.1902632 0.1345364), wk = 0.0029940 k( 181) = ( 0.3409091 0.1968240 0.1391756), wk = 0.0029940 k( 182) = ( 0.3522727 0.2033848 0.1438147), wk = 0.0029940 k( 183) = ( 0.3636364 0.2099456 0.1484539), wk = 0.0029940 k( 184) = ( 0.3750000 0.2165064 0.1530931), wk = 0.0029940 k( 185) = ( 0.3863636 0.2230672 0.1577323), wk = 0.0029940 k( 186) = ( 0.3977273 0.2296279 0.1623715), wk = 0.0029940 k( 187) = ( 0.4090909 0.2361887 0.1670107), wk = 0.0029940 k( 188) = ( 0.4204545 0.2427495 0.1716499), wk = 0.0029940 k( 189) = ( 0.4318182 0.2493103 0.1762890), wk = 0.0029940 k( 190) = ( 0.4431818 0.2558711 0.1809282), wk = 0.0029940 k( 191) = ( 0.4545455 0.2624319 0.1855674), wk = 0.0029940 k( 192) = ( 0.4659091 0.2689927 0.1902066), wk = 0.0029940 k( 193) = ( 0.4772727 0.2755535 0.1948458), wk = 0.0029940 k( 194) = ( 0.4886364 0.2821143 0.1994850), wk = 0.0029940 k( 195) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0029940 k( 196) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0029940 k( 197) = ( 0.5040323 0.2770350 0.2107088), wk = 0.0029940 k( 198) = ( 0.5080645 0.2653949 0.2172934), wk = 0.0029940 k( 199) = ( 0.5120968 0.2537548 0.2238781), wk = 0.0029940 k( 200) = ( 0.5161290 0.2421146 0.2304627), wk = 0.0029940 k( 201) = ( 0.5201613 0.2304745 0.2370474), wk = 0.0029940 k( 202) = ( 0.5241936 0.2188344 0.2436320), wk = 0.0029940 k( 203) = ( 0.5282258 0.2071943 0.2502167), wk = 0.0029940 k( 204) = ( 0.5322581 0.1955541 0.2568013), wk = 0.0029940 k( 205) = ( 0.5362903 0.1839140 0.2633860), wk = 0.0029940 k( 206) = ( 0.5403226 0.1722739 0.2699706), wk = 0.0029940 k( 207) = ( 0.5443548 0.1606337 0.2765553), wk = 0.0029940 k( 208) = ( 0.5483871 0.1489936 0.2831399), wk = 0.0029940 k( 209) = ( 0.5524193 0.1373535 0.2897246), wk = 0.0029940 k( 210) = ( 0.5564516 0.1257134 0.2963092), wk = 0.0029940 k( 211) = ( 0.5604839 0.1140732 0.3028939), wk = 0.0029940 k( 212) = ( 0.5645161 0.1024331 0.3094785), wk = 0.0029940 k( 213) = ( 0.5685484 0.0907930 0.3160632), wk = 0.0029940 k( 214) = ( 0.5725807 0.0791529 0.3226478), wk = 0.0029940 k( 215) = ( 0.5766129 0.0675127 0.3292325), wk = 0.0029940 k( 216) = ( 0.5806452 0.0558726 0.3358171), wk = 0.0029940 k( 217) = ( 0.5846774 0.0442325 0.3424018), wk = 0.0029940 k( 218) = ( 0.5887097 0.0325924 0.3489864), wk = 0.0029940 k( 219) = ( 0.5927419 0.0209522 0.3555711), wk = 0.0029940 k( 220) = ( 0.5967742 0.0093121 0.3621557), wk = 0.0029940 k( 221) = ( 0.6008064 -0.0023280 0.3687404), wk = 0.0029940 k( 222) = ( 0.6048387 -0.0139682 0.3753250), wk = 0.0029940 k( 223) = ( 0.6088710 -0.0256083 0.3819097), wk = 0.0029940 k( 224) = ( 0.6129032 -0.0372484 0.3884943), wk = 0.0029940 k( 225) = ( 0.6169355 -0.0488885 0.3950790), wk = 0.0029940 k( 226) = ( 0.6209677 -0.0605287 0.4016636), wk = 0.0029940 k( 227) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0029940 k( 228) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0029940 k( 229) = ( 0.6180556 -0.0681594 0.4195885), wk = 0.0029940 k( 230) = ( 0.6111111 -0.0641500 0.4309288), wk = 0.0029940 k( 231) = ( 0.6041667 -0.0601407 0.4422690), wk = 0.0029940 k( 232) = ( 0.5972222 -0.0561313 0.4536092), wk = 0.0029940 k( 233) = ( 0.5902778 -0.0521219 0.4649494), wk = 0.0029940 k( 234) = ( 0.5833333 -0.0481125 0.4762897), wk = 0.0029940 k( 235) = ( 0.5763889 -0.0441031 0.4876299), wk = 0.0029940 k( 236) = ( 0.5694444 -0.0400938 0.4989701), wk = 0.0029940 k( 237) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0029940 k( 238) = ( 0.5555556 -0.0320750 0.5216506), wk = 0.0029940 k( 239) = ( 0.5486111 -0.0280656 0.5329908), wk = 0.0029940 k( 240) = ( 0.5416667 -0.0240563 0.5443310), wk = 0.0029940 k( 241) = ( 0.5347222 -0.0200469 0.5556713), wk = 0.0029940 k( 242) = ( 0.5277778 -0.0160375 0.5670115), wk = 0.0029940 k( 243) = ( 0.5208333 -0.0120281 0.5783518), wk = 0.0029940 k( 244) = ( 0.5138889 -0.0080188 0.5896920), wk = 0.0029940 k( 245) = ( 0.5069444 -0.0040094 0.6010322), wk = 0.0029940 k( 246) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0029940 k( 247) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0029940 k( 248) = ( 0.5000000 0.0080187 0.6010322), wk = 0.0029940 k( 249) = ( 0.5000000 0.0160375 0.5896920), wk = 0.0029940 k( 250) = ( 0.5000000 0.0240563 0.5783518), wk = 0.0029940 k( 251) = ( 0.5000000 0.0320750 0.5670115), wk = 0.0029940 k( 252) = ( 0.5000000 0.0400938 0.5556713), wk = 0.0029940 k( 253) = ( 0.5000000 0.0481125 0.5443310), wk = 0.0029940 k( 254) = ( 0.5000000 0.0561313 0.5329908), wk = 0.0029940 k( 255) = ( 0.5000000 0.0641500 0.5216506), wk = 0.0029940 k( 256) = ( 0.5000000 0.0721688 0.5103104), wk = 0.0029940 k( 257) = ( 0.5000000 0.0801875 0.4989701), wk = 0.0029940 k( 258) = ( 0.5000000 0.0882063 0.4876299), wk = 0.0029940 k( 259) = ( 0.5000000 0.0962250 0.4762897), wk = 0.0029940 k( 260) = ( 0.5000000 0.1042438 0.4649494), wk = 0.0029940 k( 261) = ( 0.5000000 0.1122625 0.4536092), wk = 0.0029940 k( 262) = ( 0.5000000 0.1202813 0.4422690), wk = 0.0029940 k( 263) = ( 0.5000000 0.1283001 0.4309288), wk = 0.0029940 k( 264) = ( 0.5000000 0.1363188 0.4195885), wk = 0.0029940 k( 265) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0029940 k( 266) = ( 0.5000000 0.1523563 0.3969081), wk = 0.0029940 k( 267) = ( 0.5000000 0.1603751 0.3855678), wk = 0.0029940 k( 268) = ( 0.5000000 0.1683938 0.3742276), wk = 0.0029940 k( 269) = ( 0.5000000 0.1764126 0.3628874), wk = 0.0029940 k( 270) = ( 0.5000000 0.1844313 0.3515471), wk = 0.0029940 k( 271) = ( 0.5000000 0.1924501 0.3402069), wk = 0.0029940 k( 272) = ( 0.5000000 0.2004688 0.3288667), wk = 0.0029940 k( 273) = ( 0.5000000 0.2084876 0.3175264), wk = 0.0029940 k( 274) = ( 0.5000000 0.2165064 0.3061862), wk = 0.0029940 k( 275) = ( 0.5000000 0.2245251 0.2948460), wk = 0.0029940 k( 276) = ( 0.5000000 0.2325439 0.2835058), wk = 0.0029940 k( 277) = ( 0.5000000 0.2405626 0.2721655), wk = 0.0029940 k( 278) = ( 0.5000000 0.2485814 0.2608253), wk = 0.0029940 k( 279) = ( 0.5000000 0.2566001 0.2494851), wk = 0.0029940 k( 280) = ( 0.5000000 0.2646189 0.2381448), wk = 0.0029940 k( 281) = ( 0.5000000 0.2726376 0.2268046), wk = 0.0029940 k( 282) = ( 0.5000000 0.2806564 0.2154644), wk = 0.0029940 k( 283) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0029940 k( 284) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0029940 k( 285) = ( 0.4959677 0.2863471 0.2172935), wk = 0.0029940 k( 286) = ( 0.4919355 0.2840191 0.2304627), wk = 0.0029940 k( 287) = ( 0.4879032 0.2816911 0.2436320), wk = 0.0029940 k( 288) = ( 0.4838710 0.2793630 0.2568013), wk = 0.0029940 k( 289) = ( 0.4798387 0.2770350 0.2699706), wk = 0.0029940 k( 290) = ( 0.4758064 0.2747070 0.2831399), wk = 0.0029940 k( 291) = ( 0.4717742 0.2723790 0.2963092), wk = 0.0029940 k( 292) = ( 0.4677419 0.2700509 0.3094785), wk = 0.0029940 k( 293) = ( 0.4637097 0.2677229 0.3226478), wk = 0.0029940 k( 294) = ( 0.4596774 0.2653949 0.3358171), wk = 0.0029940 k( 295) = ( 0.4556452 0.2630669 0.3489864), wk = 0.0029940 k( 296) = ( 0.4516129 0.2607388 0.3621557), wk = 0.0029940 k( 297) = ( 0.4475807 0.2584108 0.3753250), wk = 0.0029940 k( 298) = ( 0.4435484 0.2560828 0.3884943), wk = 0.0029940 k( 299) = ( 0.4395161 0.2537548 0.4016636), wk = 0.0029940 k( 300) = ( 0.4354839 0.2514267 0.4148329), wk = 0.0029940 k( 301) = ( 0.4314516 0.2490987 0.4280022), wk = 0.0029940 k( 302) = ( 0.4274193 0.2467707 0.4411715), wk = 0.0029940 k( 303) = ( 0.4233871 0.2444427 0.4543408), wk = 0.0029940 k( 304) = ( 0.4193548 0.2421146 0.4675101), wk = 0.0029940 k( 305) = ( 0.4153226 0.2397866 0.4806794), wk = 0.0029940 k( 306) = ( 0.4112903 0.2374586 0.4938487), wk = 0.0029940 k( 307) = ( 0.4072581 0.2351306 0.5070180), wk = 0.0029940 k( 308) = ( 0.4032258 0.2328025 0.5201873), wk = 0.0029940 k( 309) = ( 0.3991936 0.2304745 0.5333566), wk = 0.0029940 k( 310) = ( 0.3951613 0.2281465 0.5465259), wk = 0.0029940 k( 311) = ( 0.3911290 0.2258185 0.5596952), wk = 0.0029940 k( 312) = ( 0.3870968 0.2234904 0.5728645), wk = 0.0029940 k( 313) = ( 0.3830645 0.2211624 0.5860338), wk = 0.0029940 k( 314) = ( 0.3790323 0.2188344 0.5992031), wk = 0.0029940 k( 315) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0029940 k( 316) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0029940 k( 317) = ( 0.6180556 -0.0841969 0.4082483), wk = 0.0029940 k( 318) = ( 0.6111111 -0.0962250 0.4082483), wk = 0.0029940 k( 319) = ( 0.6041667 -0.1082532 0.4082483), wk = 0.0029940 k( 320) = ( 0.5972222 -0.1202813 0.4082483), wk = 0.0029940 k( 321) = ( 0.5902778 -0.1323094 0.4082483), wk = 0.0029940 k( 322) = ( 0.5833333 -0.1443376 0.4082483), wk = 0.0029940 k( 323) = ( 0.5763889 -0.1563657 0.4082483), wk = 0.0029940 k( 324) = ( 0.5694444 -0.1683938 0.4082483), wk = 0.0029940 k( 325) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0029940 k( 326) = ( 0.5555556 -0.1924501 0.4082483), wk = 0.0029940 k( 327) = ( 0.5486111 -0.2044782 0.4082483), wk = 0.0029940 k( 328) = ( 0.5416667 -0.2165064 0.4082483), wk = 0.0029940 k( 329) = ( 0.5347222 -0.2285345 0.4082483), wk = 0.0029940 k( 330) = ( 0.5277778 -0.2405626 0.4082483), wk = 0.0029940 k( 331) = ( 0.5208333 -0.2525907 0.4082483), wk = 0.0029940 k( 332) = ( 0.5138889 -0.2646189 0.4082483), wk = 0.0029940 k( 333) = ( 0.5069444 -0.2766470 0.4082483), wk = 0.0029940 k( 334) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0029940 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029940 k( 2) = ( 0.0100000 -0.0000000 0.0100000), wk = 0.0029940 k( 3) = ( 0.0200000 -0.0000000 0.0200000), wk = 0.0029940 k( 4) = ( 0.0300000 -0.0000000 0.0300000), wk = 0.0029940 k( 5) = ( 0.0400000 -0.0000000 0.0400000), wk = 0.0029940 k( 6) = ( 0.0500000 -0.0000000 0.0500000), wk = 0.0029940 k( 7) = ( 0.0600000 -0.0000000 0.0600000), wk = 0.0029940 k( 8) = ( 0.0700000 -0.0000000 0.0700000), wk = 0.0029940 k( 9) = ( 0.0800000 -0.0000000 0.0800000), wk = 0.0029940 k( 10) = ( 0.0900000 0.0000000 0.0900000), wk = 0.0029940 k( 11) = ( 0.1000000 -0.0000000 0.1000000), wk = 0.0029940 k( 12) = ( 0.1100000 -0.0000000 0.1100000), wk = 0.0029940 k( 13) = ( 0.1200000 -0.0000000 0.1200000), wk = 0.0029940 k( 14) = ( 0.1300000 -0.0000000 0.1300000), wk = 0.0029940 k( 15) = ( 0.1400000 -0.0000000 0.1400000), wk = 0.0029940 k( 16) = ( 0.1500000 -0.0000000 0.1500000), wk = 0.0029940 k( 17) = ( 0.1600000 -0.0000000 0.1600000), wk = 0.0029940 k( 18) = ( 0.1700000 -0.0000000 0.1700000), wk = 0.0029940 k( 19) = ( 0.1800000 0.0000000 0.1800000), wk = 0.0029940 k( 20) = ( 0.1900000 -0.0000000 0.1900000), wk = 0.0029940 k( 21) = ( 0.2000000 -0.0000000 0.2000000), wk = 0.0029940 k( 22) = ( 0.2100000 -0.0000000 0.2100000), wk = 0.0029940 k( 23) = ( 0.2200000 -0.0000000 0.2200000), wk = 0.0029940 k( 24) = ( 0.2300000 -0.0000000 0.2300000), wk = 0.0029940 k( 25) = ( 0.2400000 -0.0000000 0.2400000), wk = 0.0029940 k( 26) = ( 0.2500000 -0.0000000 0.2500000), wk = 0.0029940 k( 27) = ( 0.2600000 -0.0000000 0.2600000), wk = 0.0029940 k( 28) = ( 0.2700000 -0.0000000 0.2700000), wk = 0.0029940 k( 29) = ( 0.2800000 -0.0000000 0.2800000), wk = 0.0029940 k( 30) = ( 0.2900000 -0.0000000 0.2900000), wk = 0.0029940 k( 31) = ( 0.3000000 -0.0000000 0.3000000), wk = 0.0029940 k( 32) = ( 0.3100000 -0.0000000 0.3100000), wk = 0.0029940 k( 33) = ( 0.3200000 -0.0000000 0.3200000), wk = 0.0029940 k( 34) = ( 0.3300000 -0.0000000 0.3300000), wk = 0.0029940 k( 35) = ( 0.3400000 -0.0000000 0.3400000), wk = 0.0029940 k( 36) = ( 0.3500000 -0.0000000 0.3500000), wk = 0.0029940 k( 37) = ( 0.3600000 0.0000000 0.3600000), wk = 0.0029940 k( 38) = ( 0.3700000 -0.0000000 0.3700000), wk = 0.0029940 k( 39) = ( 0.3800000 -0.0000000 0.3800000), wk = 0.0029940 k( 40) = ( 0.3900000 -0.0000000 0.3900000), wk = 0.0029940 k( 41) = ( 0.4000000 -0.0000000 0.4000000), wk = 0.0029940 k( 42) = ( 0.4100000 -0.0000000 0.4100000), wk = 0.0029940 k( 43) = ( 0.4200000 -0.0000000 0.4200000), wk = 0.0029940 k( 44) = ( 0.4300000 -0.0000000 0.4300000), wk = 0.0029940 k( 45) = ( 0.4400000 -0.0000000 0.4400000), wk = 0.0029940 k( 46) = ( 0.4500000 -0.0000000 0.4500000), wk = 0.0029940 k( 47) = ( 0.4600000 -0.0000000 0.4600000), wk = 0.0029940 k( 48) = ( 0.4700000 0.0000000 0.4700000), wk = 0.0029940 k( 49) = ( 0.4800000 -0.0000000 0.4800000), wk = 0.0029940 k( 50) = ( 0.4900000 -0.0000000 0.4900000), wk = 0.0029940 k( 51) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0029940 k( 52) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0029940 k( 53) = ( 0.5000000 0.0100000 0.5100000), wk = 0.0029940 k( 54) = ( 0.5000000 0.0200000 0.5200000), wk = 0.0029940 k( 55) = ( 0.5000000 0.0300000 0.5300000), wk = 0.0029940 k( 56) = ( 0.5000000 0.0400000 0.5400000), wk = 0.0029940 k( 57) = ( 0.5000000 0.0500000 0.5500000), wk = 0.0029940 k( 58) = ( 0.5000000 0.0600000 0.5600000), wk = 0.0029940 k( 59) = ( 0.5000000 0.0700000 0.5700000), wk = 0.0029940 k( 60) = ( 0.5000000 0.0800000 0.5800000), wk = 0.0029940 k( 61) = ( 0.5000000 0.0900000 0.5900000), wk = 0.0029940 k( 62) = ( 0.5000000 0.1000000 0.6000000), wk = 0.0029940 k( 63) = ( 0.5000000 0.1100000 0.6100000), wk = 0.0029940 k( 64) = ( 0.5000000 0.1200000 0.6200000), wk = 0.0029940 k( 65) = ( 0.5000000 0.1300000 0.6300000), wk = 0.0029940 k( 66) = ( 0.5000000 0.1400000 0.6400000), wk = 0.0029940 k( 67) = ( 0.5000000 0.1500000 0.6500000), wk = 0.0029940 k( 68) = ( 0.5000000 0.1600000 0.6600000), wk = 0.0029940 k( 69) = ( 0.5000000 0.1700000 0.6700000), wk = 0.0029940 k( 70) = ( 0.5000000 0.1800000 0.6800000), wk = 0.0029940 k( 71) = ( 0.5000000 0.1900000 0.6900000), wk = 0.0029940 k( 72) = ( 0.5000000 0.2000000 0.7000000), wk = 0.0029940 k( 73) = ( 0.5000000 0.2100000 0.7100000), wk = 0.0029940 k( 74) = ( 0.5000000 0.2200000 0.7200000), wk = 0.0029940 k( 75) = ( 0.5000000 0.2300000 0.7300000), wk = 0.0029940 k( 76) = ( 0.5000000 0.2400000 0.7400000), wk = 0.0029940 k( 77) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0029940 k( 78) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0029940 k( 79) = ( 0.4930556 0.2569444 0.7500000), wk = 0.0029940 k( 80) = ( 0.4861111 0.2638889 0.7500000), wk = 0.0029940 k( 81) = ( 0.4791667 0.2708333 0.7500000), wk = 0.0029940 k( 82) = ( 0.4722222 0.2777778 0.7500000), wk = 0.0029940 k( 83) = ( 0.4652778 0.2847222 0.7500000), wk = 0.0029940 k( 84) = ( 0.4583333 0.2916667 0.7500000), wk = 0.0029940 k( 85) = ( 0.4513889 0.2986111 0.7500000), wk = 0.0029940 k( 86) = ( 0.4444444 0.3055556 0.7500000), wk = 0.0029940 k( 87) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0029940 k( 88) = ( 0.4305556 0.3194444 0.7500000), wk = 0.0029940 k( 89) = ( 0.4236111 0.3263889 0.7500000), wk = 0.0029940 k( 90) = ( 0.4166667 0.3333333 0.7500000), wk = 0.0029940 k( 91) = ( 0.4097222 0.3402778 0.7500000), wk = 0.0029940 k( 92) = ( 0.4027778 0.3472222 0.7500000), wk = 0.0029940 k( 93) = ( 0.3958333 0.3541667 0.7500000), wk = 0.0029940 k( 94) = ( 0.3888889 0.3611111 0.7500000), wk = 0.0029940 k( 95) = ( 0.3819444 0.3680556 0.7500000), wk = 0.0029940 k( 96) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0029940 k( 97) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0029940 k( 98) = ( 0.3679245 0.3679245 0.7358491), wk = 0.0029940 k( 99) = ( 0.3608491 0.3608491 0.7216981), wk = 0.0029940 k( 100) = ( 0.3537736 0.3537736 0.7075472), wk = 0.0029940 k( 101) = ( 0.3466981 0.3466981 0.6933962), wk = 0.0029940 k( 102) = ( 0.3396226 0.3396226 0.6792453), wk = 0.0029940 k( 103) = ( 0.3325472 0.3325472 0.6650943), wk = 0.0029940 k( 104) = ( 0.3254717 0.3254717 0.6509434), wk = 0.0029940 k( 105) = ( 0.3183962 0.3183962 0.6367924), wk = 0.0029940 k( 106) = ( 0.3113207 0.3113207 0.6226415), wk = 0.0029940 k( 107) = ( 0.3042453 0.3042453 0.6084906), wk = 0.0029940 k( 108) = ( 0.2971698 0.2971698 0.5943396), wk = 0.0029940 k( 109) = ( 0.2900943 0.2900943 0.5801887), wk = 0.0029940 k( 110) = ( 0.2830189 0.2830189 0.5660377), wk = 0.0029940 k( 111) = ( 0.2759434 0.2759434 0.5518868), wk = 0.0029940 k( 112) = ( 0.2688679 0.2688679 0.5377358), wk = 0.0029940 k( 113) = ( 0.2617925 0.2617925 0.5235849), wk = 0.0029940 k( 114) = ( 0.2547170 0.2547170 0.5094340), wk = 0.0029940 k( 115) = ( 0.2476415 0.2476415 0.4952830), wk = 0.0029940 k( 116) = ( 0.2405660 0.2405660 0.4811321), wk = 0.0029940 k( 117) = ( 0.2334906 0.2334906 0.4669811), wk = 0.0029940 k( 118) = ( 0.2264151 0.2264151 0.4528302), wk = 0.0029940 k( 119) = ( 0.2193396 0.2193396 0.4386792), wk = 0.0029940 k( 120) = ( 0.2122642 0.2122642 0.4245283), wk = 0.0029940 k( 121) = ( 0.2051887 0.2051887 0.4103774), wk = 0.0029940 k( 122) = ( 0.1981132 0.1981132 0.3962264), wk = 0.0029940 k( 123) = ( 0.1910377 0.1910377 0.3820755), wk = 0.0029940 k( 124) = ( 0.1839623 0.1839623 0.3679245), wk = 0.0029940 k( 125) = ( 0.1768868 0.1768868 0.3537736), wk = 0.0029940 k( 126) = ( 0.1698113 0.1698113 0.3396226), wk = 0.0029940 k( 127) = ( 0.1627358 0.1627358 0.3254717), wk = 0.0029940 k( 128) = ( 0.1556604 0.1556604 0.3113207), wk = 0.0029940 k( 129) = ( 0.1485849 0.1485849 0.2971698), wk = 0.0029940 k( 130) = ( 0.1415094 0.1415094 0.2830189), wk = 0.0029940 k( 131) = ( 0.1344340 0.1344340 0.2688679), wk = 0.0029940 k( 132) = ( 0.1273585 0.1273585 0.2547170), wk = 0.0029940 k( 133) = ( 0.1202830 0.1202830 0.2405660), wk = 0.0029940 k( 134) = ( 0.1132076 0.1132075 0.2264151), wk = 0.0029940 k( 135) = ( 0.1061321 0.1061321 0.2122641), wk = 0.0029940 k( 136) = ( 0.0990566 0.0990566 0.1981132), wk = 0.0029940 k( 137) = ( 0.0919811 0.0919811 0.1839623), wk = 0.0029940 k( 138) = ( 0.0849057 0.0849057 0.1698113), wk = 0.0029940 k( 139) = ( 0.0778302 0.0778302 0.1556604), wk = 0.0029940 k( 140) = ( 0.0707547 0.0707547 0.1415094), wk = 0.0029940 k( 141) = ( 0.0636793 0.0636793 0.1273585), wk = 0.0029940 k( 142) = ( 0.0566038 0.0566038 0.1132075), wk = 0.0029940 k( 143) = ( 0.0495283 0.0495283 0.0990566), wk = 0.0029940 k( 144) = ( 0.0424528 0.0424528 0.0849057), wk = 0.0029940 k( 145) = ( 0.0353774 0.0353774 0.0707547), wk = 0.0029940 k( 146) = ( 0.0283019 0.0283019 0.0566038), wk = 0.0029940 k( 147) = ( 0.0212264 0.0212264 0.0424528), wk = 0.0029940 k( 148) = ( 0.0141509 0.0141509 0.0283019), wk = 0.0029940 k( 149) = ( 0.0070755 0.0070755 0.0141509), wk = 0.0029940 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029940 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029940 k( 152) = ( 0.0113636 0.0113636 0.0113636), wk = 0.0029940 k( 153) = ( 0.0227273 0.0227273 0.0227273), wk = 0.0029940 k( 154) = ( 0.0340909 0.0340909 0.0340909), wk = 0.0029940 k( 155) = ( 0.0454546 0.0454546 0.0454545), wk = 0.0029940 k( 156) = ( 0.0568182 0.0568182 0.0568182), wk = 0.0029940 k( 157) = ( 0.0681818 0.0681818 0.0681818), wk = 0.0029940 k( 158) = ( 0.0795455 0.0795454 0.0795454), wk = 0.0029940 k( 159) = ( 0.0909091 0.0909091 0.0909091), wk = 0.0029940 k( 160) = ( 0.1022727 0.1022727 0.1022727), wk = 0.0029940 k( 161) = ( 0.1136364 0.1136364 0.1136364), wk = 0.0029940 k( 162) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0029940 k( 163) = ( 0.1363636 0.1363636 0.1363636), wk = 0.0029940 k( 164) = ( 0.1477273 0.1477273 0.1477273), wk = 0.0029940 k( 165) = ( 0.1590909 0.1590909 0.1590909), wk = 0.0029940 k( 166) = ( 0.1704546 0.1704546 0.1704546), wk = 0.0029940 k( 167) = ( 0.1818182 0.1818182 0.1818182), wk = 0.0029940 k( 168) = ( 0.1931818 0.1931818 0.1931818), wk = 0.0029940 k( 169) = ( 0.2045454 0.2045454 0.2045454), wk = 0.0029940 k( 170) = ( 0.2159091 0.2159091 0.2159091), wk = 0.0029940 k( 171) = ( 0.2272727 0.2272727 0.2272727), wk = 0.0029940 k( 172) = ( 0.2386364 0.2386364 0.2386364), wk = 0.0029940 k( 173) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029940 k( 174) = ( 0.2613636 0.2613636 0.2613636), wk = 0.0029940 k( 175) = ( 0.2727273 0.2727273 0.2727273), wk = 0.0029940 k( 176) = ( 0.2840909 0.2840909 0.2840909), wk = 0.0029940 k( 177) = ( 0.2954545 0.2954545 0.2954545), wk = 0.0029940 k( 178) = ( 0.3068182 0.3068182 0.3068182), wk = 0.0029940 k( 179) = ( 0.3181818 0.3181818 0.3181818), wk = 0.0029940 k( 180) = ( 0.3295455 0.3295455 0.3295454), wk = 0.0029940 k( 181) = ( 0.3409091 0.3409091 0.3409091), wk = 0.0029940 k( 182) = ( 0.3522727 0.3522727 0.3522727), wk = 0.0029940 k( 183) = ( 0.3636364 0.3636364 0.3636364), wk = 0.0029940 k( 184) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0029940 k( 185) = ( 0.3863636 0.3863636 0.3863636), wk = 0.0029940 k( 186) = ( 0.3977273 0.3977273 0.3977273), wk = 0.0029940 k( 187) = ( 0.4090909 0.4090909 0.4090909), wk = 0.0029940 k( 188) = ( 0.4204545 0.4204545 0.4204545), wk = 0.0029940 k( 189) = ( 0.4318182 0.4318182 0.4318182), wk = 0.0029940 k( 190) = ( 0.4431818 0.4431818 0.4431818), wk = 0.0029940 k( 191) = ( 0.4545455 0.4545454 0.4545454), wk = 0.0029940 k( 192) = ( 0.4659091 0.4659091 0.4659091), wk = 0.0029940 k( 193) = ( 0.4772727 0.4772727 0.4772727), wk = 0.0029940 k( 194) = ( 0.4886364 0.4886364 0.4886364), wk = 0.0029940 k( 195) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029940 k( 196) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029940 k( 197) = ( 0.5040323 0.4919355 0.5040323), wk = 0.0029940 k( 198) = ( 0.5080645 0.4838710 0.5080645), wk = 0.0029940 k( 199) = ( 0.5120968 0.4758064 0.5120968), wk = 0.0029940 k( 200) = ( 0.5161290 0.4677419 0.5161290), wk = 0.0029940 k( 201) = ( 0.5201613 0.4596774 0.5201613), wk = 0.0029940 k( 202) = ( 0.5241936 0.4516129 0.5241936), wk = 0.0029940 k( 203) = ( 0.5282258 0.4435484 0.5282258), wk = 0.0029940 k( 204) = ( 0.5322581 0.4354839 0.5322581), wk = 0.0029940 k( 205) = ( 0.5362903 0.4274193 0.5362903), wk = 0.0029940 k( 206) = ( 0.5403226 0.4193548 0.5403226), wk = 0.0029940 k( 207) = ( 0.5443548 0.4112903 0.5443548), wk = 0.0029940 k( 208) = ( 0.5483871 0.4032258 0.5483871), wk = 0.0029940 k( 209) = ( 0.5524193 0.3951613 0.5524193), wk = 0.0029940 k( 210) = ( 0.5564516 0.3870968 0.5564516), wk = 0.0029940 k( 211) = ( 0.5604839 0.3790323 0.5604839), wk = 0.0029940 k( 212) = ( 0.5645161 0.3709677 0.5645161), wk = 0.0029940 k( 213) = ( 0.5685484 0.3629032 0.5685484), wk = 0.0029940 k( 214) = ( 0.5725807 0.3548387 0.5725807), wk = 0.0029940 k( 215) = ( 0.5766129 0.3467742 0.5766129), wk = 0.0029940 k( 216) = ( 0.5806452 0.3387097 0.5806452), wk = 0.0029940 k( 217) = ( 0.5846774 0.3306452 0.5846774), wk = 0.0029940 k( 218) = ( 0.5887097 0.3225806 0.5887097), wk = 0.0029940 k( 219) = ( 0.5927419 0.3145161 0.5927419), wk = 0.0029940 k( 220) = ( 0.5967742 0.3064516 0.5967742), wk = 0.0029940 k( 221) = ( 0.6008064 0.2983871 0.6008064), wk = 0.0029940 k( 222) = ( 0.6048387 0.2903226 0.6048387), wk = 0.0029940 k( 223) = ( 0.6088710 0.2822581 0.6088710), wk = 0.0029940 k( 224) = ( 0.6129032 0.2741935 0.6129032), wk = 0.0029940 k( 225) = ( 0.6169355 0.2661290 0.6169355), wk = 0.0029940 k( 226) = ( 0.6209677 0.2580645 0.6209677), wk = 0.0029940 k( 227) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0029940 k( 228) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0029940 k( 229) = ( 0.6180556 0.2500000 0.6319444), wk = 0.0029940 k( 230) = ( 0.6111111 0.2500000 0.6388889), wk = 0.0029940 k( 231) = ( 0.6041667 0.2500000 0.6458333), wk = 0.0029940 k( 232) = ( 0.5972222 0.2500000 0.6527778), wk = 0.0029940 k( 233) = ( 0.5902778 0.2500000 0.6597222), wk = 0.0029940 k( 234) = ( 0.5833333 0.2500000 0.6666667), wk = 0.0029940 k( 235) = ( 0.5763889 0.2500000 0.6736111), wk = 0.0029940 k( 236) = ( 0.5694444 0.2500000 0.6805556), wk = 0.0029940 k( 237) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0029940 k( 238) = ( 0.5555556 0.2500000 0.6944444), wk = 0.0029940 k( 239) = ( 0.5486111 0.2500000 0.7013889), wk = 0.0029940 k( 240) = ( 0.5416667 0.2500000 0.7083333), wk = 0.0029940 k( 241) = ( 0.5347222 0.2500000 0.7152778), wk = 0.0029940 k( 242) = ( 0.5277778 0.2500000 0.7222222), wk = 0.0029940 k( 243) = ( 0.5208333 0.2500000 0.7291667), wk = 0.0029940 k( 244) = ( 0.5138889 0.2500000 0.7361111), wk = 0.0029940 k( 245) = ( 0.5069444 0.2500000 0.7430556), wk = 0.0029940 k( 246) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0029940 k( 247) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0029940 k( 248) = ( 0.5000000 0.2569444 0.7430556), wk = 0.0029940 k( 249) = ( 0.5000000 0.2638889 0.7361111), wk = 0.0029940 k( 250) = ( 0.5000000 0.2708333 0.7291667), wk = 0.0029940 k( 251) = ( 0.5000000 0.2777778 0.7222222), wk = 0.0029940 k( 252) = ( 0.5000000 0.2847222 0.7152778), wk = 0.0029940 k( 253) = ( 0.5000000 0.2916667 0.7083333), wk = 0.0029940 k( 254) = ( 0.5000000 0.2986111 0.7013889), wk = 0.0029940 k( 255) = ( 0.5000000 0.3055556 0.6944444), wk = 0.0029940 k( 256) = ( 0.5000000 0.3125000 0.6875000), wk = 0.0029940 k( 257) = ( 0.5000000 0.3194444 0.6805556), wk = 0.0029940 k( 258) = ( 0.5000000 0.3263889 0.6736111), wk = 0.0029940 k( 259) = ( 0.5000000 0.3333333 0.6666667), wk = 0.0029940 k( 260) = ( 0.5000000 0.3402778 0.6597222), wk = 0.0029940 k( 261) = ( 0.5000000 0.3472222 0.6527778), wk = 0.0029940 k( 262) = ( 0.5000000 0.3541667 0.6458333), wk = 0.0029940 k( 263) = ( 0.5000000 0.3611111 0.6388889), wk = 0.0029940 k( 264) = ( 0.5000000 0.3680556 0.6319444), wk = 0.0029940 k( 265) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0029940 k( 266) = ( 0.5000000 0.3819444 0.6180556), wk = 0.0029940 k( 267) = ( 0.5000000 0.3888889 0.6111111), wk = 0.0029940 k( 268) = ( 0.5000000 0.3958333 0.6041667), wk = 0.0029940 k( 269) = ( 0.5000000 0.4027778 0.5972222), wk = 0.0029940 k( 270) = ( 0.5000000 0.4097222 0.5902778), wk = 0.0029940 k( 271) = ( 0.5000000 0.4166667 0.5833333), wk = 0.0029940 k( 272) = ( 0.5000000 0.4236111 0.5763889), wk = 0.0029940 k( 273) = ( 0.5000000 0.4305556 0.5694444), wk = 0.0029940 k( 274) = ( 0.5000000 0.4375000 0.5625000), wk = 0.0029940 k( 275) = ( 0.5000000 0.4444444 0.5555556), wk = 0.0029940 k( 276) = ( 0.5000000 0.4513889 0.5486111), wk = 0.0029940 k( 277) = ( 0.5000000 0.4583333 0.5416667), wk = 0.0029940 k( 278) = ( 0.5000000 0.4652778 0.5347222), wk = 0.0029940 k( 279) = ( 0.5000000 0.4722222 0.5277778), wk = 0.0029940 k( 280) = ( 0.5000000 0.4791667 0.5208333), wk = 0.0029940 k( 281) = ( 0.5000000 0.4861111 0.5138889), wk = 0.0029940 k( 282) = ( 0.5000000 0.4930556 0.5069444), wk = 0.0029940 k( 283) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029940 k( 284) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029940 k( 285) = ( 0.4959677 0.4959677 0.5080645), wk = 0.0029940 k( 286) = ( 0.4919355 0.4919355 0.5161290), wk = 0.0029940 k( 287) = ( 0.4879032 0.4879032 0.5241935), wk = 0.0029940 k( 288) = ( 0.4838710 0.4838710 0.5322581), wk = 0.0029940 k( 289) = ( 0.4798387 0.4798387 0.5403226), wk = 0.0029940 k( 290) = ( 0.4758064 0.4758064 0.5483871), wk = 0.0029940 k( 291) = ( 0.4717742 0.4717742 0.5564516), wk = 0.0029940 k( 292) = ( 0.4677419 0.4677419 0.5645161), wk = 0.0029940 k( 293) = ( 0.4637097 0.4637097 0.5725806), wk = 0.0029940 k( 294) = ( 0.4596774 0.4596774 0.5806452), wk = 0.0029940 k( 295) = ( 0.4556452 0.4556452 0.5887097), wk = 0.0029940 k( 296) = ( 0.4516129 0.4516129 0.5967742), wk = 0.0029940 k( 297) = ( 0.4475807 0.4475807 0.6048387), wk = 0.0029940 k( 298) = ( 0.4435484 0.4435484 0.6129032), wk = 0.0029940 k( 299) = ( 0.4395161 0.4395161 0.6209677), wk = 0.0029940 k( 300) = ( 0.4354839 0.4354839 0.6290323), wk = 0.0029940 k( 301) = ( 0.4314516 0.4314516 0.6370968), wk = 0.0029940 k( 302) = ( 0.4274193 0.4274193 0.6451613), wk = 0.0029940 k( 303) = ( 0.4233871 0.4233871 0.6532258), wk = 0.0029940 k( 304) = ( 0.4193548 0.4193548 0.6612903), wk = 0.0029940 k( 305) = ( 0.4153226 0.4153226 0.6693548), wk = 0.0029940 k( 306) = ( 0.4112903 0.4112903 0.6774193), wk = 0.0029940 k( 307) = ( 0.4072581 0.4072581 0.6854839), wk = 0.0029940 k( 308) = ( 0.4032258 0.4032258 0.6935484), wk = 0.0029940 k( 309) = ( 0.3991936 0.3991935 0.7016129), wk = 0.0029940 k( 310) = ( 0.3951613 0.3951613 0.7096774), wk = 0.0029940 k( 311) = ( 0.3911290 0.3911290 0.7177419), wk = 0.0029940 k( 312) = ( 0.3870968 0.3870968 0.7258064), wk = 0.0029940 k( 313) = ( 0.3830645 0.3830645 0.7338710), wk = 0.0029940 k( 314) = ( 0.3790323 0.3790323 0.7419355), wk = 0.0029940 k( 315) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0029940 k( 316) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0029940 k( 317) = ( 0.6180556 0.2361111 0.6180556), wk = 0.0029940 k( 318) = ( 0.6111111 0.2222222 0.6111111), wk = 0.0029940 k( 319) = ( 0.6041667 0.2083333 0.6041667), wk = 0.0029940 k( 320) = ( 0.5972222 0.1944444 0.5972222), wk = 0.0029940 k( 321) = ( 0.5902778 0.1805556 0.5902778), wk = 0.0029940 k( 322) = ( 0.5833333 0.1666667 0.5833333), wk = 0.0029940 k( 323) = ( 0.5763889 0.1527778 0.5763889), wk = 0.0029940 k( 324) = ( 0.5694444 0.1388889 0.5694444), wk = 0.0029940 k( 325) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0029940 k( 326) = ( 0.5555556 0.1111111 0.5555556), wk = 0.0029940 k( 327) = ( 0.5486111 0.0972222 0.5486111), wk = 0.0029940 k( 328) = ( 0.5416667 0.0833333 0.5416667), wk = 0.0029940 k( 329) = ( 0.5347222 0.0694444 0.5347222), wk = 0.0029940 k( 330) = ( 0.5277778 0.0555556 0.5277778), wk = 0.0029940 k( 331) = ( 0.5208333 0.0416667 0.5208333), wk = 0.0029940 k( 332) = ( 0.5138889 0.0277778 0.5138889), wk = 0.0029940 k( 333) = ( 0.5069444 0.0138889 0.5069444), wk = 0.0029940 k( 334) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0029940 Dense grid: 64431 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 59679 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.23 Mb ( 420, 36) NL pseudopotentials 0.31 Mb ( 210, 96) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1788) G-vector shells 0.00 Mb ( 473) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.92 Mb ( 420, 144) Each subspace H/S matrix 0.02 Mb ( 36, 36) Each matrix 0.11 Mb ( 96, 2, 36) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./LiMgSbPt.save/charge-density.dat Starting wfc are 46 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.5 secs Computing kpt #: 2 total cpu time spent up to now is 4.0 secs Computing kpt #: 3 total cpu time spent up to now is 4.5 secs Computing kpt #: 4 total cpu time spent up to now is 5.0 secs Computing kpt #: 5 total cpu time spent up to now is 5.5 secs Computing kpt #: 6 total cpu time spent up to now is 6.1 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 7.0 secs Computing kpt #: 9 total cpu time spent up to now is 7.5 secs Computing kpt #: 10 total cpu time spent up to now is 8.1 secs Computing kpt #: 11 total cpu time spent up to now is 8.6 secs Computing kpt #: 12 total cpu time spent up to now is 9.1 secs Computing kpt #: 13 total cpu time spent up to now is 9.6 secs Computing kpt #: 14 total cpu time spent up to now is 10.2 secs Computing kpt #: 15 total cpu time spent up to now is 10.7 secs Computing kpt #: 16 total cpu time spent up to now is 11.2 secs Computing kpt #: 17 total cpu time spent up to now is 11.8 secs Computing kpt #: 18 total cpu time spent up to now is 12.4 secs Computing kpt #: 19 total cpu time spent up to now is 12.9 secs Computing kpt #: 20 total cpu time spent up to now is 13.5 secs Computing kpt #: 21 total cpu time spent up to now is 14.2 secs Computing kpt #: 22 total cpu time spent up to now is 14.7 secs Computing kpt #: 23 total cpu time spent up to now is 15.4 secs Computing kpt #: 24 total cpu time spent up to now is 16.1 secs Computing kpt #: 25 total cpu time spent up to now is 16.7 secs Computing kpt #: 26 total cpu time spent up to now is 17.3 secs Computing kpt #: 27 total cpu time spent up to now is 17.9 secs Computing kpt #: 28 total cpu time spent up to now is 18.5 secs Computing kpt #: 29 total cpu time spent up to now is 19.1 secs Computing kpt #: 30 total cpu time spent up to now is 19.6 secs Computing kpt #: 31 total cpu time spent up to now is 20.2 secs Computing kpt #: 32 total cpu time spent up to now is 20.8 secs Computing kpt #: 33 total cpu time spent up to now is 21.3 secs Computing kpt #: 34 total cpu time spent up to now is 21.9 secs Computing kpt #: 35 total cpu time spent up to now is 22.4 secs Computing kpt #: 36 total cpu time spent up to now is 23.0 secs Computing kpt #: 37 total cpu time spent up to now is 23.6 secs Computing kpt #: 38 total cpu time spent up to now is 24.1 secs Computing kpt #: 39 total cpu time spent up to now is 24.6 secs Computing kpt #: 40 total cpu time spent up to now is 25.3 secs Computing kpt #: 41 total cpu time spent up to now is 25.9 secs Computing kpt #: 42 total cpu time spent up to now is 26.6 secs Computing kpt #: 43 total cpu time spent up to now is 27.2 secs Computing kpt #: 44 total cpu time spent up to now is 27.9 secs Computing kpt #: 45 total cpu time spent up to now is 28.6 secs Computing kpt #: 46 total cpu time spent up to now is 29.3 secs Computing kpt #: 47 total cpu time spent up to now is 29.9 secs Computing kpt #: 48 total cpu time spent up to now is 30.6 secs Computing kpt #: 49 total cpu time spent up to now is 31.4 secs Computing kpt #: 50 total cpu time spent up to now is 32.2 secs Computing kpt #: 51 total cpu time spent up to now is 32.9 secs Computing kpt #: 52 total cpu time spent up to now is 33.6 secs Computing kpt #: 53 total cpu time spent up to now is 34.8 secs Computing kpt #: 54 total cpu time spent up to now is 35.6 secs Computing kpt #: 55 total cpu time spent up to now is 36.4 secs Computing kpt #: 56 total cpu time spent up to now is 37.1 secs Computing kpt #: 57 total cpu time spent up to now is 37.9 secs Computing kpt #: 58 total cpu time spent up to now is 38.6 secs Computing kpt #: 59 total cpu time spent up to now is 39.5 secs Computing kpt #: 60 total cpu time spent up to now is 40.0 secs Computing kpt #: 61 total cpu time spent up to now is 40.6 secs Computing kpt #: 62 total cpu time spent up to now is 41.2 secs Computing kpt #: 63 total cpu time spent up to now is 41.7 secs Computing kpt #: 64 total cpu time spent up to now is 42.3 secs Computing kpt #: 65 total cpu time spent up to now is 42.8 secs Computing kpt #: 66 total cpu time spent up to now is 43.4 secs Computing kpt #: 67 total cpu time spent up to now is 43.9 secs Computing kpt #: 68 total cpu time spent up to now is 44.4 secs Computing kpt #: 69 total cpu time spent up to now is 44.9 secs Computing kpt #: 70 total cpu time spent up to now is 45.4 secs Computing kpt #: 71 total cpu time spent up to now is 46.0 secs Computing kpt #: 72 total cpu time spent up to now is 46.4 secs Computing kpt #: 73 total cpu time spent up to now is 47.0 secs Computing kpt #: 74 total cpu time spent up to now is 47.6 secs Computing kpt #: 75 total cpu time spent up to now is 48.1 secs Computing kpt #: 76 total cpu time spent up to now is 48.6 secs Computing kpt #: 77 total cpu time spent up to now is 49.1 secs Computing kpt #: 78 total cpu time spent up to now is 49.6 secs Computing kpt #: 79 total cpu time spent up to now is 50.2 secs Computing kpt #: 80 total cpu time spent up to now is 50.7 secs Computing kpt #: 81 total cpu time spent up to now is 51.2 secs Computing kpt #: 82 total cpu time spent up to now is 51.8 secs Computing kpt #: 83 total cpu time spent up to now is 52.4 secs Computing kpt #: 84 total cpu time spent up to now is 53.0 secs Computing kpt #: 85 total cpu time spent up to now is 53.5 secs Computing kpt #: 86 total cpu time spent up to now is 54.0 secs Computing kpt #: 87 total cpu time spent up to now is 54.6 secs Computing kpt #: 88 total cpu time spent up to now is 55.2 secs Computing kpt #: 89 total cpu time spent up to now is 55.7 secs Computing kpt #: 90 total cpu time spent up to now is 56.2 secs Computing kpt #: 91 total cpu time spent up to now is 56.9 secs Computing kpt #: 92 total cpu time spent up to now is 57.5 secs Computing kpt #: 93 total cpu time spent up to now is 58.1 secs Computing kpt #: 94 total cpu time spent up to now is 58.6 secs Computing kpt #: 95 total cpu time spent up to now is 59.2 secs Computing kpt #: 96 total cpu time spent up to now is 59.8 secs Computing kpt #: 97 total cpu time spent up to now is 60.4 secs Computing kpt #: 98 total cpu time spent up to now is 60.9 secs Computing kpt #: 99 total cpu time spent up to now is 61.4 secs Computing kpt #: 100 total cpu time spent up to now is 61.9 secs Computing kpt #: 101 total cpu time spent up to now is 62.5 secs Computing kpt #: 102 total cpu time spent up to now is 63.0 secs Computing kpt #: 103 total cpu time spent up to now is 63.5 secs Computing kpt #: 104 total cpu time spent up to now is 64.1 secs Computing kpt #: 105 total cpu time spent up to now is 64.6 secs Computing kpt #: 106 total cpu time spent up to now is 65.2 secs Computing kpt #: 107 total cpu time spent up to now is 65.7 secs Computing kpt #: 108 total cpu time spent up to now is 66.3 secs Computing kpt #: 109 total cpu time spent up to now is 66.8 secs Computing kpt #: 110 total cpu time spent up to now is 67.4 secs Computing kpt #: 111 total cpu time spent up to now is 67.9 secs Computing kpt #: 112 total cpu time spent up to now is 68.4 secs Computing kpt #: 113 total cpu time spent up to now is 69.0 secs Computing kpt #: 114 total cpu time spent up to now is 69.5 secs Computing kpt #: 115 total cpu time spent up to now is 70.1 secs Computing kpt #: 116 total cpu time spent up to now is 70.6 secs Computing kpt #: 117 total cpu time spent up to now is 71.2 secs Computing kpt #: 118 total cpu time spent up to now is 71.8 secs Computing kpt #: 119 total cpu time spent up to now is 72.3 secs Computing kpt #: 120 total cpu time spent up to now is 72.8 secs Computing kpt #: 121 total cpu time spent up to now is 73.4 secs Computing kpt #: 122 total cpu time spent up to now is 74.0 secs Computing kpt #: 123 total cpu time spent up to now is 74.5 secs Computing kpt #: 124 total cpu time spent up to now is 75.1 secs Computing kpt #: 125 total cpu time spent up to now is 75.7 secs Computing kpt #: 126 total cpu time spent up to now is 76.3 secs Computing kpt #: 127 total cpu time spent up to now is 76.8 secs Computing kpt #: 128 total cpu time spent up to now is 77.4 secs Computing kpt #: 129 total cpu time spent up to now is 77.9 secs Computing kpt #: 130 total cpu time spent up to now is 78.5 secs Computing kpt #: 131 total cpu time spent up to now is 79.0 secs Computing kpt #: 132 total cpu time spent up to now is 79.5 secs Computing kpt #: 133 total cpu time spent up to now is 80.1 secs Computing kpt #: 134 total cpu time spent up to now is 80.6 secs Computing kpt #: 135 total cpu time spent up to now is 81.2 secs Computing kpt #: 136 total cpu time spent up to now is 81.7 secs Computing kpt #: 137 total cpu time spent up to now is 82.3 secs Computing kpt #: 138 total cpu time spent up to now is 82.8 secs Computing kpt #: 139 total cpu time spent up to now is 83.4 secs Computing kpt #: 140 total cpu time spent up to now is 84.0 secs Computing kpt #: 141 total cpu time spent up to now is 84.5 secs Computing kpt #: 142 total cpu time spent up to now is 85.0 secs Computing kpt #: 143 total cpu time spent up to now is 85.5 secs Computing kpt #: 144 total cpu time spent up to now is 86.0 secs Computing kpt #: 145 total cpu time spent up to now is 86.6 secs Computing kpt #: 146 total cpu time spent up to now is 87.2 secs Computing kpt #: 147 total cpu time spent up to now is 87.7 secs Computing kpt #: 148 total cpu time spent up to now is 88.2 secs Computing kpt #: 149 total cpu time spent up to now is 88.8 secs Computing kpt #: 150 total cpu time spent up to now is 89.4 secs Computing kpt #: 151 total cpu time spent up to now is 89.9 secs Computing kpt #: 152 total cpu time spent up to now is 90.4 secs Computing kpt #: 153 total cpu time spent up to now is 91.0 secs Computing kpt #: 154 total cpu time spent up to now is 91.5 secs Computing kpt #: 155 total cpu time spent up to now is 92.0 secs Computing kpt #: 156 total cpu time spent up to now is 92.5 secs Computing kpt #: 157 total cpu time spent up to now is 93.1 secs Computing kpt #: 158 total cpu time spent up to now is 93.6 secs Computing kpt #: 159 total cpu time spent up to now is 94.2 secs Computing kpt #: 160 total cpu time spent up to now is 94.8 secs Computing kpt #: 161 total cpu time spent up to now is 95.4 secs Computing kpt #: 162 total cpu time spent up to now is 95.9 secs Computing kpt #: 163 total cpu time spent up to now is 96.4 secs Computing kpt #: 164 total cpu time spent up to now is 97.0 secs Computing kpt #: 165 total cpu time spent up to now is 97.6 secs Computing kpt #: 166 total cpu time spent up to now is 98.1 secs Computing kpt #: 167 total cpu time spent up to now is 98.6 secs Computing kpt #: 168 total cpu time spent up to now is 99.2 secs Computing kpt #: 169 total cpu time spent up to now is 99.8 secs Computing kpt #: 170 total cpu time spent up to now is 100.2 secs Computing kpt #: 171 total cpu time spent up to now is 100.8 secs Computing kpt #: 172 total cpu time spent up to now is 101.4 secs Computing kpt #: 173 total cpu time spent up to now is 102.0 secs Computing kpt #: 174 total cpu time spent up to now is 102.5 secs Computing kpt #: 175 total cpu time spent up to now is 103.0 secs Computing kpt #: 176 total cpu time spent up to now is 103.5 secs Computing kpt #: 177 total cpu time spent up to now is 104.1 secs Computing kpt #: 178 total cpu time spent up to now is 104.6 secs Computing kpt #: 179 total cpu time spent up to now is 105.2 secs Computing kpt #: 180 total cpu time spent up to now is 105.6 secs Computing kpt #: 181 total cpu time spent up to now is 106.1 secs Computing kpt #: 182 total cpu time spent up to now is 106.6 secs Computing kpt #: 183 total cpu time spent up to now is 107.1 secs Computing kpt #: 184 total cpu time spent up to now is 107.7 secs Computing kpt #: 185 total cpu time spent up to now is 108.2 secs Computing kpt #: 186 total cpu time spent up to now is 108.7 secs Computing kpt #: 187 total cpu time spent up to now is 109.2 secs Computing kpt #: 188 total cpu time spent up to now is 109.8 secs Computing kpt #: 189 total cpu time spent up to now is 110.2 secs Computing kpt #: 190 total cpu time spent up to now is 110.8 secs Computing kpt #: 191 total cpu time spent up to now is 111.3 secs Computing kpt #: 192 total cpu time spent up to now is 111.8 secs Computing kpt #: 193 total cpu time spent up to now is 112.2 secs Computing kpt #: 194 total cpu time spent up to now is 112.7 secs Computing kpt #: 195 total cpu time spent up to now is 113.2 secs Computing kpt #: 196 total cpu time spent up to now is 113.7 secs Computing kpt #: 197 total cpu time spent up to now is 114.2 secs Computing kpt #: 198 total cpu time spent up to now is 114.6 secs Computing kpt #: 199 total cpu time spent up to now is 115.2 secs Computing kpt #: 200 total cpu time spent up to now is 115.7 secs Computing kpt #: 201 total cpu time spent up to now is 116.2 secs Computing kpt #: 202 total cpu time spent up to now is 116.7 secs Computing kpt #: 203 total cpu time spent up to now is 117.2 secs Computing kpt #: 204 total cpu time spent up to now is 117.8 secs Computing kpt #: 205 total cpu time spent up to now is 118.3 secs Computing kpt #: 206 total cpu time spent up to now is 118.8 secs Computing kpt #: 207 total cpu time spent up to now is 119.3 secs Computing kpt #: 208 total cpu time spent up to now is 119.9 secs Computing kpt #: 209 total cpu time spent up to now is 120.4 secs Computing kpt #: 210 total cpu time spent up to now is 121.0 secs Computing kpt #: 211 total cpu time spent up to now is 121.6 secs Computing kpt #: 212 total cpu time spent up to now is 122.2 secs Computing kpt #: 213 total cpu time spent up to now is 122.7 secs Computing kpt #: 214 total cpu time spent up to now is 123.3 secs Computing kpt #: 215 total cpu time spent up to now is 123.8 secs Computing kpt #: 216 total cpu time spent up to now is 124.4 secs Computing kpt #: 217 total cpu time spent up to now is 124.9 secs Computing kpt #: 218 total cpu time spent up to now is 125.4 secs Computing kpt #: 219 total cpu time spent up to now is 126.0 secs Computing kpt #: 220 total cpu time spent up to now is 126.5 secs Computing kpt #: 221 total cpu time spent up to now is 127.0 secs Computing kpt #: 222 total cpu time spent up to now is 127.5 secs Computing kpt #: 223 total cpu time spent up to now is 128.0 secs Computing kpt #: 224 total cpu time spent up to now is 128.6 secs Computing kpt #: 225 total cpu time spent up to now is 129.1 secs Computing kpt #: 226 total cpu time spent up to now is 129.6 secs Computing kpt #: 227 total cpu time spent up to now is 130.2 secs Computing kpt #: 228 total cpu time spent up to now is 130.7 secs Computing kpt #: 229 total cpu time spent up to now is 131.3 secs Computing kpt #: 230 total cpu time spent up to now is 131.8 secs Computing kpt #: 231 total cpu time spent up to now is 132.5 secs Computing kpt #: 232 total cpu time spent up to now is 133.0 secs Computing kpt #: 233 total cpu time spent up to now is 133.7 secs Computing kpt #: 234 total cpu time spent up to now is 134.2 secs Computing kpt #: 235 total cpu time spent up to now is 134.7 secs Computing kpt #: 236 total cpu time spent up to now is 135.2 secs Computing kpt #: 237 total cpu time spent up to now is 135.8 secs Computing kpt #: 238 total cpu time spent up to now is 136.3 secs Computing kpt #: 239 total cpu time spent up to now is 136.8 secs Computing kpt #: 240 total cpu time spent up to now is 137.4 secs Computing kpt #: 241 total cpu time spent up to now is 137.9 secs Computing kpt #: 242 total cpu time spent up to now is 138.4 secs Computing kpt #: 243 total cpu time spent up to now is 138.9 secs Computing kpt #: 244 total cpu time spent up to now is 139.4 secs Computing kpt #: 245 total cpu time spent up to now is 139.9 secs Computing kpt #: 246 total cpu time spent up to now is 140.4 secs Computing kpt #: 247 total cpu time spent up to now is 140.9 secs Computing kpt #: 248 total cpu time spent up to now is 141.4 secs Computing kpt #: 249 total cpu time spent up to now is 141.9 secs Computing kpt #: 250 total cpu time spent up to now is 142.5 secs Computing kpt #: 251 total cpu time spent up to now is 143.0 secs Computing kpt #: 252 total cpu time spent up to now is 143.5 secs Computing kpt #: 253 total cpu time spent up to now is 144.0 secs Computing kpt #: 254 total cpu time spent up to now is 144.5 secs Computing kpt #: 255 total cpu time spent up to now is 145.0 secs Computing kpt #: 256 total cpu time spent up to now is 145.6 secs Computing kpt #: 257 total cpu time spent up to now is 146.1 secs Computing kpt #: 258 total cpu time spent up to now is 146.6 secs Computing kpt #: 259 total cpu time spent up to now is 147.3 secs Computing kpt #: 260 total cpu time spent up to now is 147.9 secs Computing kpt #: 261 total cpu time spent up to now is 148.5 secs Computing kpt #: 262 total cpu time spent up to now is 149.1 secs Computing kpt #: 263 total cpu time spent up to now is 149.6 secs Computing kpt #: 264 total cpu time spent up to now is 150.2 secs Computing kpt #: 265 total cpu time spent up to now is 150.7 secs Computing kpt #: 266 total cpu time spent up to now is 151.2 secs Computing kpt #: 267 total cpu time spent up to now is 151.8 secs Computing kpt #: 268 total cpu time spent up to now is 152.4 secs Computing kpt #: 269 total cpu time spent up to now is 152.9 secs Computing kpt #: 270 total cpu time spent up to now is 153.4 secs Computing kpt #: 271 total cpu time spent up to now is 154.0 secs Computing kpt #: 272 total cpu time spent up to now is 154.5 secs Computing kpt #: 273 total cpu time spent up to now is 155.0 secs Computing kpt #: 274 total cpu time spent up to now is 155.6 secs Computing kpt #: 275 total cpu time spent up to now is 156.2 secs Computing kpt #: 276 total cpu time spent up to now is 156.7 secs Computing kpt #: 277 total cpu time spent up to now is 157.2 secs Computing kpt #: 278 total cpu time spent up to now is 157.7 secs Computing kpt #: 279 total cpu time spent up to now is 158.2 secs Computing kpt #: 280 total cpu time spent up to now is 158.7 secs Computing kpt #: 281 total cpu time spent up to now is 159.2 secs Computing kpt #: 282 total cpu time spent up to now is 159.7 secs Computing kpt #: 283 total cpu time spent up to now is 160.2 secs Computing kpt #: 284 total cpu time spent up to now is 160.7 secs Computing kpt #: 285 total cpu time spent up to now is 161.2 secs Computing kpt #: 286 total cpu time spent up to now is 161.7 secs Computing kpt #: 287 total cpu time spent up to now is 162.2 secs Computing kpt #: 288 total cpu time spent up to now is 162.6 secs Computing kpt #: 289 total cpu time spent up to now is 163.2 secs Computing kpt #: 290 total cpu time spent up to now is 163.7 secs Computing kpt #: 291 total cpu time spent up to now is 164.2 secs Computing kpt #: 292 total cpu time spent up to now is 164.7 secs Computing kpt #: 293 total cpu time spent up to now is 165.3 secs Computing kpt #: 294 total cpu time spent up to now is 165.8 secs Computing kpt #: 295 total cpu time spent up to now is 166.4 secs Computing kpt #: 296 total cpu time spent up to now is 167.0 secs Computing kpt #: 297 total cpu time spent up to now is 167.6 secs Computing kpt #: 298 total cpu time spent up to now is 168.2 secs Computing kpt #: 299 total cpu time spent up to now is 168.7 secs Computing kpt #: 300 total cpu time spent up to now is 169.2 secs Computing kpt #: 301 total cpu time spent up to now is 169.8 secs Computing kpt #: 302 total cpu time spent up to now is 170.4 secs Computing kpt #: 303 total cpu time spent up to now is 171.0 secs Computing kpt #: 304 total cpu time spent up to now is 171.5 secs Computing kpt #: 305 total cpu time spent up to now is 172.0 secs Computing kpt #: 306 total cpu time spent up to now is 172.6 secs Computing kpt #: 307 total cpu time spent up to now is 173.1 secs Computing kpt #: 308 total cpu time spent up to now is 173.6 secs Computing kpt #: 309 total cpu time spent up to now is 174.2 secs Computing kpt #: 310 total cpu time spent up to now is 174.8 secs Computing kpt #: 311 total cpu time spent up to now is 175.4 secs Computing kpt #: 312 total cpu time spent up to now is 175.9 secs Computing kpt #: 313 total cpu time spent up to now is 176.4 secs Computing kpt #: 314 total cpu time spent up to now is 176.9 secs Computing kpt #: 315 total cpu time spent up to now is 177.5 secs Computing kpt #: 316 total cpu time spent up to now is 178.1 secs Computing kpt #: 317 total cpu time spent up to now is 178.6 secs Computing kpt #: 318 total cpu time spent up to now is 179.1 secs Computing kpt #: 319 total cpu time spent up to now is 179.7 secs Computing kpt #: 320 total cpu time spent up to now is 180.3 secs Computing kpt #: 321 total cpu time spent up to now is 180.9 secs Computing kpt #: 322 total cpu time spent up to now is 181.6 secs Computing kpt #: 323 total cpu time spent up to now is 182.2 secs Computing kpt #: 324 total cpu time spent up to now is 182.8 secs Computing kpt #: 325 total cpu time spent up to now is 183.5 secs Computing kpt #: 326 total cpu time spent up to now is 184.1 secs Computing kpt #: 327 total cpu time spent up to now is 184.7 secs Computing kpt #: 328 total cpu time spent up to now is 185.4 secs Computing kpt #: 329 total cpu time spent up to now is 186.0 secs Computing kpt #: 330 total cpu time spent up to now is 186.7 secs Computing kpt #: 331 total cpu time spent up to now is 187.4 secs Computing kpt #: 332 total cpu time spent up to now is 188.2 secs Computing kpt #: 333 total cpu time spent up to now is 188.9 secs Computing kpt #: 334 total cpu time spent up to now is 189.6 secs ethr = 3.57E-08, avg # of iterations = 17.1 total cpu time spent up to now is 189.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7391 PWs) bands (ev): -64.8216 -64.8216 -35.9415 -35.9415 -31.7793 -31.7793 -31.4917 -31.4917 -31.4917 -31.4917 -0.9458 -0.9458 5.6676 5.6676 5.6676 5.6676 6.0200 6.0200 7.5389 7.5389 7.5389 7.5389 10.6904 10.6904 12.2743 12.2743 12.4943 12.4943 12.5213 12.5213 12.5213 12.5213 13.2869 13.2869 13.2869 13.2869 k = 0.0100-0.0058 0.0082 ( 7455 PWs) bands (ev): -64.8216 -64.8216 -35.9415 -35.9415 -31.7793 -31.7793 -31.4917 -31.4917 -31.4917 -31.4917 -0.9446 -0.9446 5.6644 5.6644 5.6701 5.6701 6.0194 6.0194 7.5325 7.5325 7.5440 7.5440 10.6903 10.6903 12.2558 12.2558 12.4345 12.4345 12.5150 12.5150 12.5859 12.5859 13.2914 13.2914 13.3000 13.3000 k = 0.0200-0.0115 0.0163 ( 7471 PWs) bands (ev): -64.8216 -64.8216 -35.9415 -35.9415 -31.7793 -31.7793 -31.4917 -31.4917 -31.4917 -31.4917 -0.9409 -0.9409 5.6600 5.6600 5.6724 5.6724 6.0176 6.0176 7.5247 7.5247 7.5480 7.5480 10.6900 10.6900 12.2002 12.2002 12.3722 12.3722 12.5021 12.5021 12.6587 12.6587 13.3057 13.3057 13.3366 13.3366 k = 0.0300-0.0173 0.0245 ( 7479 PWs) bands (ev): -64.8216 -64.8216 -35.9415 -35.9415 -31.7793 -31.7793 -31.4917 -31.4917 -31.4917 -31.4917 -0.9349 -0.9349 5.6541 5.6541 5.6746 5.6746 6.0148 6.0148 7.5153 7.5153 7.5511 7.5511 10.6893 10.6893 12.1164 12.1164 12.3096 12.3096 12.4925 12.4925 12.7233 12.7233 13.3305 13.3305 13.3914 13.3914 k = 0.0400-0.0231 0.0327 ( 7487 PWs) bands (ev): -64.8216 -64.8216 -35.9415 -35.9415 -31.7793 -31.7793 -31.4917 -31.4917 -31.4917 -31.4917 -0.9264 -0.9264 5.6462 5.6462 5.6772 5.6772 6.0112 6.0112 7.5042 7.5042 7.5536 7.5536 10.6879 10.6879 12.0174 12.0174 12.2368 12.2368 12.4910 12.4910 12.7760 12.7760 13.3669 13.3669 13.4590 13.4590 k = 0.0500-0.0289 0.0408 ( 7487 PWs) bands (ev): -64.8216 -64.8216 -35.9415 -35.9415 -31.7793 -31.7793 -31.4917 -31.4917 -31.4917 -31.4917 -0.9156 -0.9156 5.6360 5.6360 5.6802 5.6802 6.0071 6.0071 7.4913 7.4913 7.5556 7.5556 10.6853 10.6853 11.9106 11.9106 12.1531 12.1531 12.4970 12.4970 12.8153 12.8153 13.4149 13.4149 13.5349 13.5349 k = 0.0600-0.0346 0.0490 ( 7487 PWs) bands (ev): -64.8216 -64.8216 -35.9415 -35.9415 -31.7793 -31.7793 -31.4917 -31.4917 -31.4917 -31.4917 -0.9024 -0.9024 5.6233 5.6233 5.6836 5.6836 6.0029 6.0029 7.4765 7.4765 7.5573 7.5573 10.6809 10.6809 11.7994 11.7994 12.0608 12.0608 12.5083 12.5083 12.8412 12.8412 13.4736 13.4736 13.6165 13.6165 k = 0.0700-0.0404 0.0572 ( 7487 PWs) bands (ev): -64.8216 -64.8216 -35.9415 -35.9415 -31.7793 -31.7793 -31.4917 -31.4917 -31.4917 -31.4917 -0.8868 -0.8868 5.6077 5.6077 5.6876 5.6876 5.9990 5.9990 7.4600 7.4600 7.5588 7.5588 10.6741 10.6741 11.6857 11.6857 11.9625 11.9625 12.5233 12.5233 12.8552 12.8552 13.5410 13.5410 13.7018 13.7018 k = 0.0800-0.0462 0.0653 ( 7511 PWs) bands (ev): -64.8216 -64.8216 -35.9415 -35.9415 -31.7793 -31.7793 -31.4917 -31.4917 -31.4917 -31.4917 -0.8688 -0.8688 5.5892 5.5892 5.6922 5.6922 5.9957 5.9957 7.4417 7.4417 7.5603 7.5603 10.6640 10.6640 11.5704 11.5704 11.8596 11.8596 12.5408 12.5408 12.8593 12.8593 13.6150 13.6150 13.7897 13.7897 k = 0.0900-0.0520 0.0735 ( 7519 PWs) bands (ev): -64.8216 -64.8216 -35.9415 -35.9415 -31.7794 -31.7794 -31.4917 -31.4917 -31.4917 -31.4917 -0.8486 -0.8486 5.5675 5.5675 5.6974 5.6974 5.9933 5.9933 7.4217 7.4217 7.5618 7.5618 10.6498 10.6498 11.4546 11.4546 11.7536 11.7536 12.5596 12.5596 12.8555 12.8555 13.6936 13.6936 13.8795 13.8795 k = 0.1000-0.0577 0.0816 ( 7519 PWs) bands (ev): -64.8216 -64.8216 -35.9415 -35.9415 -31.7794 -31.7794 -31.4917 -31.4917 -31.4917 -31.4917 -0.8260 -0.8260 5.5427 5.5427 5.7032 5.7032 5.9921 5.9921 7.4002 7.4002 7.5635 7.5635 10.6301 10.6301 11.3389 11.3389 11.6452 11.6452 12.5782 12.5782 12.8461 12.8461 13.7755 13.7755 13.9709 13.9709 k = 0.1100-0.0635 0.0898 ( 7519 PWs) bands (ev): -64.8216 -64.8216 -35.9415 -35.9415 -31.7794 -31.7794 -31.4917 -31.4917 -31.4917 -31.4917 -0.8012 -0.8012 5.5148 5.5148 5.7096 5.7096 5.9922 5.9922 7.3773 7.3773 7.5654 7.5654 10.6039 10.6039 11.2242 11.2242 11.5351 11.5351 12.5946 12.5946 12.8336 12.8336 13.8598 13.8598 14.0635 14.0635 k = 0.1200-0.0693 0.0980 ( 7519 PWs) bands (ev): -64.8216 -64.8216 -35.9415 -35.9415 -31.7794 -31.7794 -31.4917 -31.4917 -31.4917 -31.4917 -0.7741 -0.7741 5.4840 5.4840 5.7168 5.7168 5.9938 5.9938 7.3530 7.3530 7.5676 7.5676 10.5697 10.5697 11.1113 11.1113 11.4238 11.4238 12.6059 12.6059 12.8217 12.8217 13.9458 13.9458 14.1574 14.1574 k = 0.1300-0.0751 0.1061 ( 7527 PWs) bands (ev): -64.8216 -64.8216 -35.9415 -35.9415 -31.7794 -31.7794 -31.4917 -31.4917 -31.4917 -31.4917 -0.7449 -0.7449 5.4504 5.4504 5.7246 5.7246 5.9968 5.9968 7.3276 7.3276 7.5700 7.5700 10.5260 10.5260 11.0011 11.0011 11.3118 11.3118 12.6085 12.6085 12.8146 12.8146 14.0332 14.0332 14.2526 14.2526 k = 0.1400-0.0808 0.1143 ( 7527 PWs) bands (ev): -64.8216 -64.8216 -35.9415 -35.9415 -31.7794 -31.7794 -31.4917 -31.4917 -31.4917 -31.4917 -0.7135 -0.7135 5.4144 5.4144 5.7332 5.7332 6.0014 6.0014 7.3012 7.3012 7.5728 7.5728 10.4715 10.4715 10.8946 10.8946 11.1992 11.1992 12.5996 12.5996 12.8159 12.8159 14.1219 14.1219 14.3491 14.3491 k = 0.1500-0.0866 0.1225 ( 7515 PWs) bands (ev): -64.8216 -64.8216 -35.9415 -35.9415 -31.7794 -31.7794 -31.4917 -31.4917 -31.4917 -31.4917 -0.6800 -0.6800 5.3761 5.3761 5.7424 5.7424 6.0075 6.0075 7.2740 7.2740 7.5759 7.5759 10.4050 10.4050 10.7924 10.7924 11.0865 11.0865 12.5799 12.5799 12.8260 12.8260 14.2119 14.2119 14.4470 14.4470 k = 0.1600-0.0924 0.1306 ( 7515 PWs) bands (ev): -64.8216 -64.8216 -35.9414 -35.9414 -31.7794 -31.7794 -31.4917 -31.4917 -31.4917 -31.4917 -0.6445 -0.6445 5.3359 5.3359 5.7524 5.7524 6.0150 6.0150 7.2461 7.2461 7.5794 7.5794 10.3265 10.3265 10.6942 10.6942 10.9738 10.9738 12.5525 12.5525 12.8425 12.8425 14.3031 14.3031 14.5465 14.5465 k = 0.1700-0.0981 0.1388 ( 7507 PWs) bands (ev): -64.8216 -64.8216 -35.9414 -35.9414 -31.7794 -31.7794 -31.4917 -31.4917 -31.4917 -31.4917 -0.6069 -0.6069 5.2940 5.2940 5.7632 5.7632 6.0239 6.0239 7.2177 7.2177 7.5833 7.5833 10.2370 10.2370 10.5992 10.5992 10.8613 10.8613 12.5211 12.5211 12.8628 12.8628 14.3959 14.3959 14.6476 14.6476 k = 0.1800-0.1039 0.1470 ( 7503 PWs) bands (ev): -64.8216 -64.8216 -35.9414 -35.9414 -31.7794 -31.7794 -31.4917 -31.4917 -31.4917 -31.4917 -0.5675 -0.5675 5.2508 5.2508 5.7747 5.7747 6.0341 6.0341 7.1889 7.1889 7.5874 7.5874 10.1383 10.1383 10.5058 10.5058 10.7491 10.7491 12.4884 12.4884 12.8851 12.8851 14.4904 14.4904 14.7506 14.7506 k = 0.1900-0.1097 0.1551 ( 7495 PWs) bands (ev): -64.8216 -64.8216 -35.9414 -35.9414 -31.7794 -31.7794 -31.4918 -31.4918 -31.4917 -31.4917 -0.5262 -0.5262 5.2065 5.2065 5.7869 5.7869 6.0455 6.0455 7.1600 7.1600 7.5919 7.5919 10.0325 10.0325 10.4122 10.4122 10.6372 10.6372 12.4564 12.4564 12.9080 12.9080 14.5867 14.5867 14.8556 14.8556 k = 0.2000-0.1155 0.1633 ( 7495 PWs) bands (ev): -64.8216 -64.8216 -35.9414 -35.9414 -31.7794 -31.7794 -31.4918 -31.4918 -31.4917 -31.4917 -0.4831 -0.4831 5.1614 5.1614 5.8000 5.8000 6.0582 6.0582 7.1310 7.1310 7.5967 7.5967 9.9216 9.9216 10.3174 10.3174 10.5256 10.5256 12.4262 12.4262 12.9309 12.9309 14.6852 14.6852 14.9627 14.9627 k = 0.2100-0.1212 0.1715 ( 7491 PWs) bands (ev): -64.8216 -64.8216 -35.9414 -35.9414 -31.7794 -31.7794 -31.4918 -31.4918 -31.4917 -31.4917 -0.4384 -0.4384 5.1157 5.1157 5.8137 5.8137 6.0721 6.0721 7.1022 7.1022 7.6017 7.6017 9.8071 9.8071 10.2207 10.2207 10.4144 10.4144 12.3986 12.3986 12.9534 12.9534 14.7860 14.7860 15.0720 15.0720 k = 0.2200-0.1270 0.1796 ( 7503 PWs) bands (ev): -64.8216 -64.8216 -35.9414 -35.9414 -31.7794 -31.7794 -31.4918 -31.4918 -31.4917 -31.4917 -0.3920 -0.3920 5.0696 5.0696 5.8283 5.8283 6.0871 6.0871 7.0736 7.0736 7.6069 7.6069 9.6900 9.6900 10.1222 10.1222 10.3037 10.3037 12.3739 12.3739 12.9751 12.9751 14.8893 14.8893 15.1835 15.1835 k = 0.2300-0.1328 0.1878 ( 7507 PWs) bands (ev): -64.8216 -64.8216 -35.9414 -35.9414 -31.7794 -31.7794 -31.4918 -31.4918 -31.4917 -31.4917 -0.3442 -0.3442 5.0233 5.0233 5.8435 5.8435 6.1031 6.1031 7.0456 7.0456 7.6122 7.6122 9.5712 9.5712 10.0219 10.0220 10.1935 10.1935 12.3523 12.3523 12.9959 12.9959 14.9953 14.9953 15.2974 15.2974 k = 0.2400-0.1386 0.1960 ( 7515 PWs) bands (ev): -64.8216 -64.8216 -35.9414 -35.9414 -31.7794 -31.7794 -31.4918 -31.4918 -31.4918 -31.4918 -0.2950 -0.2950 4.9770 4.9770 5.8595 5.8595 6.1201 6.1201 7.0181 7.0181 7.6177 7.6177 9.4515 9.4515 9.9205 9.9205 10.0840 10.0840 12.3336 12.3336 13.0157 13.0157 15.1040 15.1040 15.4138 15.4138 k = 0.2500-0.1443 0.2041 ( 7523 PWs) bands (ev): -64.8216 -64.8216 -35.9414 -35.9414 -31.7794 -31.7794 -31.4918 -31.4918 -31.4918 -31.4918 -0.2445 -0.2445 4.9310 4.9310 5.8762 5.8762 6.1380 6.1380 6.9915 6.9915 7.6232 7.6232 9.3312 9.3312 9.8183 9.8183 9.9755 9.9755 12.3177 12.3177 13.0345 13.0345 15.2155 15.2155 15.5327 15.5327 k = 0.2600-0.1501 0.2123 ( 7499 PWs) bands (ev): -64.8216 -64.8216 -35.9413 -35.9413 -31.7794 -31.7794 -31.4918 -31.4918 -31.4918 -31.4918 -0.1929 -0.1929 4.8853 4.8853 5.8934 5.8934 6.1567 6.1567 6.9658 6.9658 7.6287 7.6287 9.2109 9.2109 9.7158 9.7158 9.8681 9.8681 12.3044 12.3044 13.0522 13.0522 15.3299 15.3299 15.6540 15.6540 k = 0.2700-0.1559 0.2205 ( 7467 PWs) bands (ev): -64.8216 -64.8216 -35.9413 -35.9413 -31.7794 -31.7794 -31.4918 -31.4918 -31.4918 -31.4918 -0.1404 -0.1404 4.8401 4.8401 5.9113 5.9113 6.1762 6.1762 6.9413 6.9413 7.6340 7.6340 9.0911 9.0911 9.6136 9.6136 9.7623 9.7623 12.2933 12.2933 13.0689 13.0689 15.4471 15.4471 15.7779 15.7779 k = 0.2800-0.1617 0.2286 ( 7471 PWs) bands (ev): -64.8216 -64.8216 -35.9413 -35.9413 -31.7794 -31.7794 -31.4918 -31.4918 -31.4918 -31.4918 -0.0870 -0.0870 4.7955 4.7955 5.9296 5.9296 6.1962 6.1962 6.9182 6.9182 7.6393 7.6393 8.9722 8.9722 9.5121 9.5121 9.6581 9.6581 12.2843 12.2843 13.0846 13.0846 15.5671 15.5671 15.9044 15.9044 k = 0.2900-0.1674 0.2368 ( 7471 PWs) bands (ev): -64.8216 -64.8216 -35.9413 -35.9413 -31.7794 -31.7794 -31.4918 -31.4918 -31.4918 -31.4918 -0.0330 -0.0330 4.7518 4.7518 5.9484 5.9484 6.2167 6.2167 6.8967 6.8967 7.6442 7.6442 8.8547 8.8547 9.4118 9.4118 9.5559 9.5559 12.2770 12.2770 13.0993 13.0993 15.6898 15.6898 16.0334 16.0334 k = 0.3000-0.1732 0.2449 ( 7463 PWs) bands (ev): -64.8216 -64.8216 -35.9413 -35.9413 -31.7794 -31.7794 -31.4918 -31.4918 -31.4918 -31.4918 0.0215 0.0215 4.7089 4.7089 5.9674 5.9674 6.2374 6.2374 6.8770 6.8770 7.6489 7.6489 8.7392 8.7392 9.3129 9.3129 9.4557 9.4557 12.2712 12.2712 13.1130 13.1130 15.8153 15.8153 16.1649 16.1649 k = 0.3100-0.1790 0.2531 ( 7471 PWs) bands (ev): -64.8216 -64.8216 -35.9413 -35.9413 -31.7794 -31.7794 -31.4918 -31.4918 -31.4918 -31.4918 0.0762 0.0762 4.6670 4.6670 5.9865 5.9865 6.2581 6.2581 6.8595 6.8595 7.6530 7.6530 8.6262 8.6262 9.2160 9.2160 9.3579 9.3579 12.2667 12.2667 13.1259 13.1259 15.9434 15.9434 16.2989 16.2989 k = 0.3200-0.1848 0.2613 ( 7471 PWs) bands (ev): -64.8216 -64.8216 -35.9413 -35.9413 -31.7794 -31.7794 -31.4919 -31.4919 -31.4918 -31.4918 0.1309 0.1309 4.6262 4.6262 6.0056 6.0056 6.2787 6.2787 6.8445 6.8445 7.6566 7.6566 8.5162 8.5162 9.1212 9.1212 9.2625 9.2625 12.2633 12.2633 13.1378 13.1378 16.0741 16.0741 16.4353 16.4353 k = 0.3300-0.1905 0.2694 ( 7479 PWs) bands (ev): -64.8216 -64.8216 -35.9413 -35.9413 -31.7794 -31.7794 -31.4919 -31.4919 -31.4918 -31.4918 0.1854 0.1854 4.5867 4.5867 6.0245 6.0245 6.2989 6.2989 6.8322 6.8322 7.6594 7.6594 8.4098 8.4098 9.0288 9.0288 9.1697 9.1697 12.2607 12.2607 13.1490 13.1490 16.2072 16.2072 16.5741 16.5741 k = 0.3400-0.1963 0.2776 ( 7487 PWs) bands (ev): -64.8216 -64.8216 -35.9413 -35.9413 -31.7794 -31.7794 -31.4919 -31.4919 -31.4918 -31.4918 0.2394 0.2394 4.5484 4.5484 6.0428 6.0428 6.3183 6.3183 6.8232 6.8232 7.6613 7.6613 8.3078 8.3078 8.9391 8.9391 9.0797 9.0797 12.2589 12.2589 13.1593 13.1593 16.3426 16.3426 16.7152 16.7152 k = 0.3500-0.2021 0.2858 ( 7471 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7794 -31.7794 -31.4919 -31.4919 -31.4918 -31.4918 0.2927 0.2927 4.5116 4.5116 6.0603 6.0603 6.3368 6.3368 6.8177 6.8177 7.6620 7.6620 8.2108 8.2108 8.8524 8.8524 8.9927 8.9927 12.2577 12.2577 13.1688 13.1688 16.4803 16.4803 16.8585 16.8585 k = 0.3600-0.2078 0.2939 ( 7471 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7794 -31.7794 -31.4919 -31.4919 -31.4918 -31.4918 0.3449 0.3449 4.4763 4.4763 6.0768 6.0768 6.3541 6.3541 6.8159 6.8159 7.6613 7.6613 8.1196 8.1196 8.7687 8.7687 8.9090 8.9090 12.2570 12.2570 13.1777 13.1777 16.6201 16.6201 17.0040 17.0040 k = 0.3700-0.2136 0.3021 ( 7467 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7794 -31.7794 -31.4919 -31.4919 -31.4918 -31.4918 0.3957 0.3957 4.4426 4.4426 6.0918 6.0918 6.3701 6.3701 6.8182 6.8182 7.6585 7.6585 8.0350 8.0350 8.6884 8.6884 8.8289 8.8289 12.2567 12.2567 13.1858 13.1858 16.7618 16.7618 17.1514 17.1514 k = 0.3800-0.2194 0.3103 ( 7468 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7794 -31.7794 -31.4919 -31.4919 -31.4918 -31.4918 0.4449 0.4449 4.4107 4.4107 6.1050 6.1050 6.3848 6.3848 6.8245 6.8245 7.6532 7.6532 7.9580 7.9580 8.6116 8.6116 8.7525 8.7525 12.2567 12.2567 13.1932 13.1932 16.9052 16.9052 17.3006 17.3006 k = 0.3900-0.2252 0.3184 ( 7460 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7794 -31.7794 -31.4919 -31.4919 -31.4918 -31.4918 0.4920 0.4920 4.3806 4.3806 6.1162 6.1162 6.3984 6.3984 6.8346 6.8346 7.6442 7.6442 7.8900 7.8900 8.5386 8.5386 8.6804 8.6804 12.2569 12.2569 13.1999 13.1999 17.0503 17.0503 17.4515 17.4515 k = 0.4000-0.2309 0.3266 ( 7464 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7794 -31.7794 -31.4919 -31.4919 -31.4918 -31.4918 0.5367 0.5367 4.3525 4.3525 6.1251 6.1251 6.4109 6.4109 6.8481 6.8481 7.6304 7.6304 7.8325 7.8325 8.4696 8.4696 8.6129 8.6129 12.2573 12.2573 13.2061 13.2061 17.1966 17.1966 17.6036 17.6036 k = 0.4100-0.2367 0.3348 ( 7464 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7794 -31.7794 -31.4919 -31.4919 -31.4918 -31.4918 0.5787 0.5787 4.3264 4.3264 6.1317 6.1317 6.4226 6.4226 6.8644 6.8644 7.6107 7.6107 7.7867 7.7867 8.4048 8.4048 8.5505 8.5505 12.2578 12.2578 13.2115 13.2115 17.3438 17.3438 17.7566 17.7566 k = 0.4200-0.2425 0.3429 ( 7464 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7794 -31.7794 -31.4919 -31.4919 -31.4918 -31.4918 0.6175 0.6175 4.3026 4.3026 6.1360 6.1360 6.4336 6.4336 6.8829 6.8829 7.5855 7.5855 7.7525 7.7525 8.3446 8.3446 8.4937 8.4937 12.2583 12.2583 13.2164 13.2164 17.4915 17.4915 17.9100 17.9100 k = 0.4300-0.2483 0.3511 ( 7468 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7794 -31.7794 -31.4919 -31.4919 -31.4918 -31.4918 0.6528 0.6528 4.2812 4.2812 6.1384 6.1384 6.4440 6.4440 6.9027 6.9027 7.5572 7.5572 7.7276 7.7276 8.2894 8.2894 8.4428 8.4428 12.2589 12.2589 13.2207 13.2207 17.6391 17.6391 18.0630 18.0630 k = 0.4400-0.2540 0.3593 ( 7468 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7794 -31.7794 -31.4919 -31.4919 -31.4918 -31.4918 0.6842 0.6842 4.2623 4.2623 6.1391 6.1391 6.4535 6.4535 6.9229 6.9229 7.5292 7.5292 7.7089 7.7089 8.2395 8.2395 8.3983 8.3983 12.2595 12.2595 13.2243 13.2243 17.7855 17.7855 18.2145 18.2145 k = 0.4500-0.2598 0.3674 ( 7460 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7794 -31.7794 -31.4919 -31.4919 -31.4918 -31.4918 0.7115 0.7115 4.2460 4.2460 6.1386 6.1386 6.4621 6.4621 6.9424 6.9424 7.5040 7.5040 7.6940 7.6940 8.1955 8.1955 8.3605 8.3605 12.2600 12.2600 13.2274 13.2274 17.9294 17.9294 18.3625 18.3625 k = 0.4600-0.2656 0.3756 ( 7452 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7794 -31.7794 -31.4919 -31.4919 -31.4918 -31.4918 0.7343 0.7343 4.2324 4.2324 6.1373 6.1373 6.4695 6.4695 6.9603 6.9603 7.4829 7.4829 7.6818 7.6818 8.1581 8.1581 8.3295 8.3295 12.2604 12.2604 13.2299 13.2299 18.0683 18.0683 18.5036 18.5036 k = 0.4700-0.2714 0.3838 ( 7456 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7794 -31.7794 -31.4919 -31.4919 -31.4918 -31.4918 0.7523 0.7523 4.2218 4.2218 6.1359 6.1359 6.4755 6.4755 6.9755 6.9755 7.4665 7.4665 7.6719 7.6719 8.1281 8.1281 8.3055 8.3055 12.2608 12.2608 13.2319 13.2319 18.1981 18.1981 18.6322 18.6322 k = 0.4800-0.2771 0.3919 ( 7480 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7794 -31.7794 -31.4919 -31.4919 -31.4918 -31.4918 0.7653 0.7653 4.2141 4.2141 6.1345 6.1345 6.4799 6.4799 6.9872 6.9872 7.4549 7.4549 7.6644 7.6644 8.1060 8.1060 8.2884 8.2884 12.2611 12.2611 13.2333 13.2333 18.3110 18.3110 18.7378 18.7378 k = 0.4900-0.2829 0.4001 ( 7488 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7794 -31.7794 -31.4919 -31.4919 -31.4918 -31.4918 0.7732 0.7732 4.2094 4.2094 6.1336 6.1336 6.4826 6.4826 6.9946 6.9946 7.4481 7.4481 7.6598 7.6598 8.0924 8.0924 8.2782 8.2782 12.2612 12.2612 13.2341 13.2341 18.3929 18.3929 18.8064 18.8064 k = 0.5000-0.2887 0.4082 ( 7488 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7794 -31.7794 -31.4919 -31.4919 -31.4918 -31.4918 0.7758 0.7758 4.2079 4.2079 6.1332 6.1332 6.4835 6.4835 6.9971 6.9971 7.4459 7.4459 7.6582 7.6582 8.0879 8.0879 8.2748 8.2748 12.2613 12.2613 13.2344 13.2344 18.4239 18.4239 18.8292 18.8292 k = 0.5000-0.2887 0.4082 ( 7488 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7794 -31.7794 -31.4919 -31.4919 -31.4918 -31.4918 0.7758 0.7758 4.2079 4.2079 6.1332 6.1332 6.4835 6.4835 6.9971 6.9971 7.4459 7.4459 7.6582 7.6582 8.0879 8.0879 8.2748 8.2748 12.2613 12.2613 13.2344 13.2344 18.4239 18.4239 18.8292 18.8292 k = 0.5000-0.2771 0.4164 ( 7486 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7794 -31.7794 -31.4920 -31.4919 -31.4918 -31.4918 0.7738 0.7780 4.2067 4.2115 6.1306 6.1343 6.4646 6.5005 6.9773 7.0065 7.3869 7.5050 7.6150 7.7095 8.0471 8.1232 8.2578 8.3014 12.2605 12.2688 13.2350 13.2384 18.3904 18.4048 18.7768 18.7788 k = 0.5000-0.2656 0.4246 ( 7476 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7794 -31.7794 -31.4920 -31.4919 -31.4918 -31.4918 0.7719 0.7802 4.2079 4.2175 6.1264 6.1340 6.4434 6.5158 6.9517 6.9987 7.3376 7.5577 7.5773 7.7705 8.0044 8.1506 8.2480 8.3397 12.2666 12.2831 13.2401 13.2470 18.3057 18.3300 18.7174 18.7178 k = 0.5000-0.2540 0.4327 ( 7462 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7794 -31.7794 -31.4920 -31.4919 -31.4918 -31.4918 0.7701 0.7825 4.2115 4.2259 6.1204 6.1325 6.4198 6.5295 6.9232 6.9672 7.3068 7.5434 7.6018 7.8392 7.9632 8.1706 8.2433 8.3885 12.2795 12.3041 13.2498 13.2601 18.1776 18.2075 18.6732 18.6768 k = 0.5000-0.2425 0.4409 ( 7458 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7794 -31.7794 -31.4920 -31.4919 -31.4918 -31.4918 0.7685 0.7849 4.2175 4.2367 6.1123 6.1298 6.3936 6.5419 6.8938 6.9125 7.2955 7.5120 7.6385 7.8951 7.9417 8.1852 8.2434 8.4452 12.2992 12.3317 13.2641 13.2779 18.0201 18.0546 18.6410 18.6419 k = 0.5000-0.2309 0.4491 ( 7470 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7794 -31.7794 -31.4920 -31.4919 -31.4918 -31.4918 0.7670 0.7873 4.2257 4.2500 6.1017 6.1260 6.3649 6.5528 6.8416 6.8648 7.2976 7.4827 7.6696 7.8728 8.0014 8.1966 8.2489 8.5070 12.3257 12.3658 13.2830 13.3004 17.8451 17.8846 18.5991 18.6135 k = 0.5000-0.2194 0.4572 ( 7464 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4920 -31.4919 -31.4918 -31.4918 0.7656 0.7898 4.2363 4.2656 6.0881 6.1213 6.3340 6.5618 6.7622 6.8373 7.3066 7.4554 7.6965 7.8380 8.0712 8.2059 8.2634 8.5720 12.3591 12.4065 13.3065 13.3277 17.6598 17.7048 18.5364 18.5786 k = 0.5000-0.2078 0.4654 ( 7468 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4920 -31.4919 -31.4918 -31.4918 0.7643 0.7924 4.2491 4.2836 6.0707 6.1157 6.3018 6.5664 6.6813 6.8119 7.3181 7.4304 7.7198 7.8048 8.1280 8.2140 8.2938 8.6387 12.3992 12.4536 13.3347 13.3596 17.4685 17.5192 18.4467 18.4899 k = 0.5000-0.1963 0.4736 ( 7460 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4920 -31.4919 -31.4918 -31.4918 0.7631 0.7949 4.2641 4.3040 6.0486 6.1093 6.2695 6.5488 6.6196 6.7891 7.3285 7.4090 7.7392 7.7753 8.1642 8.2213 8.3454 8.7062 12.4461 12.5070 13.3675 13.3964 17.2739 17.3304 18.3315 18.3529 k = 0.5000-0.1848 0.4817 ( 7460 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4920 -31.4919 -31.4918 -31.4918 0.7621 0.7975 4.2813 4.3266 6.0207 6.1024 6.2388 6.4800 6.6076 6.7691 7.3334 7.3945 7.7393 7.7652 8.1845 8.2280 8.4124 8.7734 12.4998 12.5666 13.4050 13.4380 17.0777 17.1401 18.1977 18.2034 k = 0.5000-0.1732 0.4899 ( 7470 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4920 -31.4919 -31.4918 -31.4918 0.7612 0.8000 4.3005 4.3515 5.9864 6.0948 6.2109 6.3949 6.6113 6.7518 7.3277 7.3916 7.7160 7.7789 8.1971 8.2342 8.4855 8.8398 12.5600 12.6324 13.4470 13.4843 16.8813 16.9494 18.0483 18.0517 k = 0.5000-0.1617 0.4981 ( 7460 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4920 -31.4919 -31.4918 -31.4918 0.7604 0.8025 4.3216 4.3786 5.9457 6.0868 6.1865 6.3078 6.6174 6.7370 7.3135 7.3976 7.6928 7.7930 8.2063 8.2399 8.5598 8.9046 12.6268 12.7041 13.4936 13.5354 16.6854 16.7592 17.8902 17.8982 k = 0.5000-0.1501 0.5062 ( 7466 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4918 -31.4918 0.7596 0.8049 4.3446 4.4078 5.8997 6.0784 6.1656 6.2212 6.6239 6.7244 7.2965 7.4070 7.6715 7.8056 8.2140 8.2452 8.6327 8.9672 12.7000 12.7817 13.5445 13.5910 16.4908 16.5701 17.7307 17.7406 k = 0.5000-0.1386 0.5144 ( 7466 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4918 -31.4918 0.7590 0.8073 4.3692 4.4390 5.8495 6.0689 6.1367 6.1477 6.6302 6.7139 7.2792 7.4170 7.6523 7.8167 8.2208 8.2501 8.7027 9.0272 12.7796 12.8650 13.5996 13.6510 16.2980 16.3827 17.5713 17.5811 k = 0.5000-0.1270 0.5226 ( 7466 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4918 -31.4918 0.7585 0.8095 4.3954 4.4721 5.7967 6.0423 6.0711 6.1322 6.6363 6.7050 7.2625 7.4268 7.6349 7.8263 8.2272 8.2546 8.7692 9.0840 12.8654 12.9539 13.6583 13.7151 16.1075 16.1975 17.4132 17.4217 k = 0.5000-0.1155 0.5307 ( 7454 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4918 -31.4918 -31.4917 0.7580 0.8117 4.4228 4.5069 5.7425 5.9665 6.0572 6.1186 6.6421 6.6977 7.2470 7.4359 7.6195 7.8346 8.2331 8.2587 8.8313 9.1372 12.9573 13.0481 13.7204 13.7827 15.9196 16.0149 17.2580 17.2640 k = 0.5000-0.1039 0.5389 ( 7454 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4918 -31.4918 -31.4917 0.7577 0.8137 4.4512 4.5431 5.6881 5.8882 6.0487 6.1066 6.6474 6.6917 7.2326 7.4442 7.6058 7.8417 8.2386 8.2623 8.8888 9.1864 13.0550 13.1474 13.7850 13.8532 15.7346 15.8352 17.1069 17.1097 k = 0.5000-0.0924 0.5471 ( 7462 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4918 -31.4918 -31.4917 0.7573 0.8155 4.4802 4.5804 5.6345 5.8125 6.0411 6.0961 6.6523 6.6867 7.2197 7.4516 7.5937 7.8478 8.2436 8.2656 8.9411 9.2313 13.1585 13.2514 13.8512 13.9258 15.5529 15.6588 16.9604 16.9616 k = 0.5000-0.0808 0.5552 ( 7462 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4918 -31.4918 -31.4917 0.7571 0.8172 4.5092 4.6184 5.5828 5.7403 6.0343 6.0868 6.6567 6.6827 7.2082 7.4581 7.5833 7.8529 8.2482 8.2685 8.9879 9.2716 13.2674 13.3599 13.9179 13.9993 15.3749 15.4862 16.8182 16.8240 k = 0.5000-0.0693 0.5634 ( 7470 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4918 -31.4918 -31.4917 0.7569 0.8187 4.5378 4.6564 5.5340 5.6725 6.0281 6.0788 6.6607 6.6795 7.1981 7.4637 7.5743 7.8571 8.2523 8.2710 9.0290 9.3070 13.3814 13.4722 13.9835 14.0722 15.2009 15.3179 16.6850 16.6959 k = 0.5000-0.0577 0.5715 ( 7462 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4918 -31.4918 -31.4917 0.7567 0.8199 4.5650 4.6935 5.4891 5.6100 6.0228 6.0720 6.6640 6.6769 7.1895 7.4685 7.5669 7.8606 8.2558 8.2731 9.0641 9.3373 13.5001 13.5875 14.0460 14.1426 15.0314 15.1547 16.5635 16.5798 k = 0.5000-0.0462 0.5797 ( 7476 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4918 -31.4917 0.7566 0.8210 4.5899 4.7284 5.4495 5.5542 6.0183 6.0664 6.6669 6.6749 7.1825 7.4723 7.5608 7.8633 8.2587 8.2748 9.0931 9.3623 13.6226 13.7042 14.1030 14.2083 14.8674 14.9977 16.4565 16.4784 k = 0.5000-0.0346 0.5879 ( 7472 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4918 -31.4917 0.7565 0.8218 4.6113 4.7595 5.4165 5.5069 6.0147 6.0620 6.6691 6.6735 7.1770 7.4753 7.5562 7.8653 8.2609 8.2761 9.1158 9.3819 13.7475 13.8193 14.1516 14.2670 14.7105 14.8491 16.3676 16.3948 k = 0.5000-0.0231 0.5960 ( 7476 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4918 -31.4917 0.7564 0.8224 4.6279 4.7845 5.3915 5.4703 6.0121 6.0589 6.6707 6.6725 7.1731 7.4774 7.5529 7.8668 8.2626 8.2770 9.1321 9.3960 13.8712 13.9263 14.1885 14.3170 14.5647 14.7136 16.3004 16.3320 k = 0.5000-0.0115 0.6042 ( 7468 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4918 -31.4917 0.7564 0.8228 4.6385 4.8009 5.3758 5.4468 6.0105 6.0570 6.6717 6.6719 7.1707 7.4787 7.5509 7.8676 8.2636 8.2776 9.1419 9.4044 13.9817 14.0104 14.2099 14.3580 14.4429 14.6032 16.2583 16.2929 k = 0.5000 0.0000 0.6124 ( 7456 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7792 -31.4921 -31.4918 -31.4918 -31.4917 0.7564 0.8229 4.6422 4.8067 5.3705 5.4387 6.0100 6.0564 6.6717 6.6720 7.1699 7.4791 7.5502 7.8679 8.2639 8.2777 9.1451 9.4073 14.0362 14.0444 14.2147 14.3795 14.3873 14.5529 16.2439 16.2797 k = 0.5000 0.0000 0.6124 ( 7456 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7792 -31.4921 -31.4918 -31.4918 -31.4917 0.7564 0.8229 4.6422 4.8067 5.3705 5.4387 6.0100 6.0564 6.6717 6.6720 7.1699 7.4791 7.5502 7.8679 8.2639 8.2777 9.1451 9.4073 14.0362 14.0444 14.2147 14.3795 14.3873 14.5529 16.2439 16.2797 k = 0.4931 0.0120 0.6124 ( 7460 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7792 -31.4921 -31.4918 -31.4918 -31.4917 0.7559 0.8223 4.6397 4.8034 5.3730 5.4424 6.0094 6.0604 6.6573 6.6849 7.1712 7.4753 7.5551 7.8692 8.2510 8.2911 9.1443 9.4066 13.9981 14.0219 14.2200 14.3714 14.4189 14.5791 16.2522 16.2894 k = 0.4861 0.0241 0.6124 ( 7482 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4918 -31.4917 0.7545 0.8207 4.6328 4.7941 5.3803 5.4524 6.0087 6.0715 6.6414 6.6965 7.1748 7.4669 7.5665 7.8732 8.2330 8.3106 9.1415 9.4046 13.9138 13.9500 14.2343 14.3675 14.4873 14.6429 16.2763 16.3168 k = 0.4792 0.0361 0.6124 ( 7480 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4918 -31.4917 0.7524 0.8181 4.6220 4.7800 5.3915 5.4668 6.0094 6.0880 6.6244 6.7066 7.1807 7.4575 7.5805 7.8804 8.2146 8.3316 9.1366 9.4009 13.8083 13.8520 14.2484 14.3653 14.5776 14.7274 16.3151 16.3593 k = 0.4722 0.0481 0.6124 ( 7480 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4918 -31.4917 0.7497 0.8148 4.6082 4.7625 5.4056 5.4837 6.0122 6.1088 6.6068 6.7147 7.1884 7.4489 7.5954 7.8915 8.1963 8.3538 9.1293 9.3953 13.6941 13.7431 14.2588 14.3635 14.6795 14.8245 16.3671 16.4147 k = 0.4653 0.0601 0.6124 ( 7489 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4918 -31.4917 0.7466 0.8110 4.5923 4.7427 5.4215 5.5015 6.0174 6.1331 6.5889 6.7207 7.1977 7.4417 7.6101 7.9067 8.1782 8.3771 9.1195 9.3874 13.5776 13.6304 14.2658 14.3612 14.7885 14.9300 16.4306 16.4812 k = 0.4583 0.0722 0.6124 ( 7471 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4918 -31.4917 0.7431 0.8068 4.5752 4.7218 5.4383 5.5189 6.0251 6.1603 6.5712 6.7244 7.2083 7.4357 7.6244 7.9262 8.1606 8.4016 9.1070 9.3771 13.4622 13.5177 14.2701 14.3582 14.9025 15.0417 16.5042 16.5571 k = 0.4514 0.0842 0.6124 ( 7475 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4918 -31.4917 0.7395 0.8023 4.5575 4.7006 5.4551 5.5350 6.0350 6.1898 6.5540 6.7257 7.2198 7.4309 7.6384 7.9500 8.1438 8.4273 9.0916 9.3644 13.3505 13.4076 14.2723 14.3546 15.0205 15.1583 16.5861 16.6411 k = 0.4444 0.0962 0.6124 ( 7473 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4918 -31.4917 0.7358 0.7978 4.5399 4.6798 5.4713 5.5494 6.0466 6.2208 6.5378 6.7245 7.2321 7.4268 7.6521 7.9774 8.1283 8.4542 9.0735 9.3490 13.2442 13.3019 14.2731 14.3505 15.1416 15.2789 16.6747 16.7319 k = 0.4375 0.1083 0.6124 ( 7473 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4918 -31.4917 0.7322 0.7932 4.5228 4.6600 5.4865 5.5619 6.0594 6.2524 6.5230 6.7208 7.2448 7.4231 7.6659 8.0064 8.1157 8.4821 9.0525 9.3311 13.1449 13.2020 14.2728 14.3462 15.2656 15.4031 16.7674 16.8283 k = 0.4306 0.1203 0.6124 ( 7474 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4918 -31.4917 0.7287 0.7889 4.5068 4.6414 5.5004 5.5724 6.0729 6.2836 6.5103 6.7147 7.2577 7.4193 7.6801 8.0316 8.1108 8.5110 9.0291 9.3109 13.0536 13.1090 14.2718 14.3419 15.3919 15.5303 16.8599 16.9291 k = 0.4236 0.1323 0.6124 ( 7466 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4918 -31.4917 0.7254 0.7847 4.4920 4.6246 5.5128 5.5810 6.0864 6.3132 6.5004 6.7063 7.2707 7.4151 7.6946 8.0423 8.1236 8.5403 9.0034 9.2886 12.9714 13.0241 14.2704 14.3377 15.5203 15.6603 16.9432 17.0333 k = 0.4167 0.1443 0.6124 ( 7465 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4918 -31.4917 0.7224 0.7809 4.4788 4.6095 5.5236 5.5879 6.0994 6.3395 6.4948 6.6957 7.2835 7.4102 7.7093 8.0378 8.1537 8.5697 8.9761 9.2648 12.8991 12.9481 14.2688 14.3338 15.6503 15.7928 16.9984 17.1378 k = 0.4097 0.1564 0.6124 ( 7469 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4918 -31.4917 0.7198 0.7776 4.4673 4.5966 5.5327 5.5934 6.1113 6.3605 6.4949 6.6831 7.2962 7.4045 7.7239 8.0276 8.1904 8.5983 8.9482 9.2403 12.8373 12.8819 14.2672 14.3303 15.7815 15.9274 16.9989 17.2221 k = 0.4028 0.1684 0.6124 ( 7470 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4918 -31.4917 0.7176 0.7748 4.4578 4.5858 5.5402 5.5976 6.1218 6.3747 6.5022 6.6687 7.3084 7.3980 7.7377 8.0165 8.2278 8.6250 8.9210 9.2163 12.7865 12.8262 14.2658 14.3273 15.9133 16.0638 16.9401 17.1863 k = 0.3958 0.1804 0.6124 ( 7470 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4918 -31.4917 0.7158 0.7725 4.4502 4.5774 5.5460 5.6006 6.1303 6.3823 6.5157 6.6528 7.3199 7.3909 7.7500 8.0062 8.2620 8.6481 8.8964 9.1943 12.7472 12.7817 14.2645 14.3249 16.0447 16.2017 16.8450 17.0617 k = 0.3889 0.1925 0.6124 ( 7475 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4918 -31.4917 0.7145 0.7709 4.4448 4.5713 5.5501 5.6027 6.1367 6.3855 6.5327 6.6365 7.3305 7.3835 7.7598 7.9979 8.2901 8.6660 8.8767 9.1763 12.7193 12.7492 14.2636 14.3231 16.1736 16.3399 16.7347 16.9235 k = 0.3819 0.2045 0.6124 ( 7471 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4918 -31.4917 0.7137 0.7699 4.4415 4.5676 5.5526 5.6039 6.1406 6.3865 6.5487 6.6217 7.3389 7.3769 7.7662 7.9924 8.3087 8.6772 8.8639 9.1643 12.7028 12.7292 14.2630 14.3221 16.2931 16.4736 16.6274 16.7853 k = 0.3750 0.2165 0.6124 ( 7474 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4918 -31.4917 0.7135 0.7695 4.4404 4.5664 5.5535 5.6043 6.1419 6.3867 6.5563 6.6147 7.3425 7.3740 7.7684 7.9905 8.3152 8.6810 8.8595 9.1601 12.6974 12.7224 14.2628 14.3217 16.3608 16.5326 16.6047 16.6834 k = 0.3750 0.2165 0.6124 ( 7474 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4918 -31.4917 0.7135 0.7695 4.4404 4.5664 5.5535 5.6043 6.1419 6.3867 6.5563 6.6147 7.3425 7.3740 7.7684 7.9905 8.3152 8.6810 8.8595 9.1601 12.6974 12.7224 14.2628 14.3217 16.3608 16.5326 16.6047 16.6834 k = 0.3679 0.2124 0.6008 ( 7470 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4918 -31.4917 0.7027 0.7598 4.4553 4.5926 5.5154 5.5483 6.1347 6.3991 6.5574 6.5986 7.3602 7.3726 7.7785 7.9972 8.3311 8.6814 8.9410 9.2333 12.7141 12.7354 14.3781 14.4486 16.2478 16.4325 16.4692 16.5682 k = 0.3608 0.2083 0.5893 ( 7470 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4918 -31.4917 0.6903 0.7481 4.4678 4.6159 5.4837 5.4992 6.1289 6.4106 6.5600 6.5866 7.3715 7.3775 7.7898 8.0068 8.3453 8.6793 9.0239 9.3089 12.7288 12.7466 14.4902 14.5754 16.1393 16.3168 16.3579 16.4594 k = 0.3538 0.2043 0.5777 ( 7482 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4918 -31.4917 0.6761 0.7342 4.4776 4.6354 5.4584 5.4589 6.1243 6.4198 6.5641 6.5798 7.3711 7.3940 7.8016 8.0196 8.3585 8.6751 9.1083 9.3866 12.7419 12.7564 14.5957 14.6992 16.0375 16.1912 16.2665 16.3570 k = 0.3467 0.2002 0.5662 ( 7478 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4918 -31.4917 0.6599 0.7180 4.4845 4.6503 5.4269 5.4415 6.1206 6.4252 6.5701 6.5798 7.3716 7.4098 7.8133 8.0354 8.3715 8.6693 9.1940 9.4664 12.7534 12.7648 14.6901 14.8164 15.9454 16.0710 16.1816 16.2608 k = 0.3396 0.1961 0.5546 ( 7488 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4918 -31.4917 0.6417 0.6995 4.4888 4.6598 5.4053 5.4313 6.1180 6.4259 6.5779 6.5871 7.3736 7.4246 7.8243 8.0544 8.3852 8.6625 9.2810 9.5482 12.7635 12.7719 14.7677 14.9218 15.8670 15.9611 16.1011 16.1707 k = 0.3325 0.1920 0.5430 ( 7490 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4918 -31.4917 0.6214 0.6785 4.4907 4.6640 5.3936 5.4279 6.1161 6.4223 6.5877 6.6012 7.3774 7.4386 7.8338 8.0761 8.4003 8.6552 9.3693 9.6318 12.7723 12.7778 14.8222 15.0084 15.8069 15.8667 16.0247 16.0869 k = 0.3255 0.1879 0.5315 ( 7480 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4917 -31.4917 0.5988 0.6550 4.4910 4.6634 5.3912 5.4309 6.1152 6.4155 6.5996 6.6206 7.3836 7.4520 7.8413 8.1001 8.4178 8.6482 9.4588 9.7171 12.7798 12.7826 14.8481 15.0667 15.7680 15.7946 15.9526 16.0102 k = 0.3184 0.1838 0.5199 ( 7494 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4917 -31.4917 0.5740 0.6289 4.4903 4.6590 5.3968 5.4394 6.1150 6.4068 6.6138 6.6437 7.3929 7.4650 7.8462 8.1258 8.4383 8.6424 9.5494 9.8041 12.7859 12.7862 14.8434 15.0874 15.7484 15.7508 15.8857 15.9429 k = 0.3113 0.1797 0.5084 ( 7498 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4917 -31.4917 0.5469 0.6002 4.4894 4.6520 5.4089 5.4525 6.1156 6.3969 6.6302 6.6692 7.4059 7.4780 7.8483 8.1523 8.4624 8.6391 9.6411 9.8926 12.7885 12.7907 14.8115 15.0682 15.7311 15.7363 15.8280 15.8918 k = 0.3042 0.1757 0.4968 ( 7502 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4917 -31.4917 0.5175 0.5690 4.4890 4.6440 5.4258 5.4692 6.1170 6.3865 6.6488 6.6960 7.4233 7.4914 7.8475 8.1783 8.4905 8.6394 9.7338 9.9826 12.7895 12.7941 14.7593 15.0174 15.7095 15.7120 15.7949 15.8689 k = 0.2972 0.1716 0.4853 ( 7494 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4917 -31.4917 0.4859 0.5353 4.4900 4.6360 5.4459 5.4887 6.1190 6.3757 6.6696 6.7231 7.4457 7.5056 7.8439 8.2027 8.5227 8.6451 9.8274 10.0738 12.7889 12.7960 14.6940 14.9473 15.6644 15.6689 15.7937 15.8730 k = 0.2901 0.1675 0.4737 ( 7498 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4917 -31.4917 0.4520 0.4992 4.4927 4.6293 5.4677 5.5101 6.1215 6.3648 6.6924 6.7498 7.4736 7.5211 7.8382 8.2242 8.5592 8.6577 9.9220 10.1662 12.7867 12.7962 14.6212 14.8674 15.6100 15.6169 15.7988 15.8882 k = 0.2830 0.1634 0.4622 ( 7492 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4917 -31.4917 0.4160 0.4609 4.4977 4.6245 5.4902 5.5328 6.1245 6.3538 6.7169 6.7755 7.5071 7.5381 7.8312 8.2419 8.5997 8.6784 10.0173 10.2598 12.7825 12.7945 14.5450 14.7837 15.5535 15.5627 15.7947 15.9038 k = 0.2759 0.1593 0.4506 ( 7488 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4917 -31.4917 0.3780 0.4204 4.5054 4.6224 5.5124 5.5561 6.1278 6.3426 6.7430 6.7997 7.5453 7.5570 7.8247 8.2556 8.6442 8.7079 10.1133 10.3542 12.7761 12.7906 14.4683 14.6999 15.4959 15.5084 15.7745 15.9151 k = 0.2689 0.1552 0.4391 ( 7480 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4920 -31.4919 -31.4917 -31.4917 0.3381 0.3780 4.5160 4.6232 5.5337 5.5796 6.1312 6.3314 6.7702 6.8222 7.5779 7.5857 7.8217 8.2663 8.6925 8.7460 10.2098 10.4496 12.7672 12.7844 14.3932 14.6179 15.4358 15.4541 15.7353 15.9197 k = 0.2618 0.1511 0.4275 ( 7478 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4920 -31.4919 -31.4917 -31.4917 0.2964 0.3339 4.5296 4.6273 5.5537 5.6027 6.1345 6.3200 6.7981 6.8430 7.6006 7.6228 7.8285 8.2753 8.7443 8.7923 10.3069 10.5456 12.7554 12.7755 14.3211 14.5393 15.3710 15.3985 15.6803 15.8077 k = 0.2547 0.1471 0.4160 ( 7474 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4920 -31.4919 -31.4917 -31.4917 0.2533 0.2881 4.5464 4.6349 5.5721 5.6252 6.1376 6.3083 6.8264 6.8622 7.6246 7.6476 7.8542 8.2848 8.7994 8.8456 10.4043 10.6422 12.7404 12.7636 14.2532 14.4651 15.2986 15.3392 15.6180 15.6941 k = 0.2476 0.1430 0.4044 ( 7486 PWs) bands (ev): -64.8216 -64.8216 -35.9413 -35.9413 -31.7795 -31.7793 -31.4920 -31.4919 -31.4917 -31.4917 0.2087 0.2410 4.5663 4.6460 5.5886 5.6467 6.1401 6.2963 6.8546 6.8801 7.6493 7.6554 7.9038 8.2970 8.8577 8.9051 10.5020 10.7392 12.7218 12.7483 14.1904 14.3961 15.2164 15.2723 15.5573 15.5926 k = 0.2406 0.1389 0.3928 ( 7482 PWs) bands (ev): -64.8216 -64.8216 -35.9413 -35.9413 -31.7795 -31.7793 -31.4920 -31.4919 -31.4917 -31.4917 0.1629 0.1927 4.5892 4.6605 5.6033 5.6671 6.1420 6.2841 6.8825 6.8972 7.6502 7.6733 7.9729 8.3143 8.9189 8.9701 10.5998 10.8365 12.6993 12.7295 14.1333 14.3328 15.1241 15.1935 15.5035 15.5077 k = 0.2335 0.1348 0.3813 ( 7474 PWs) bands (ev): -64.8216 -64.8216 -35.9413 -35.9413 -31.7795 -31.7793 -31.4920 -31.4919 -31.4917 -31.4917 0.1161 0.1436 4.6152 4.6785 5.6163 5.6862 6.1430 6.2715 6.9099 6.9137 7.6380 7.6952 8.0556 8.3389 8.9829 9.0399 10.6974 10.9339 12.6728 12.7069 14.0826 14.2757 15.0234 15.1014 15.4410 15.4577 k = 0.2264 0.1307 0.3697 ( 7474 PWs) bands (ev): -64.8216 -64.8216 -35.9413 -35.9413 -31.7795 -31.7793 -31.4920 -31.4918 -31.4917 -31.4917 0.0686 0.0937 4.6440 4.6998 5.6275 5.7038 6.1431 6.2585 6.9299 6.9366 7.6224 7.7138 8.1483 8.3728 9.0496 9.1141 10.7948 11.0312 12.6421 12.6803 14.0383 14.2249 14.9170 14.9984 15.3900 15.4183 k = 0.2193 0.1266 0.3582 ( 7484 PWs) bands (ev): -64.8216 -64.8216 -35.9413 -35.9413 -31.7794 -31.7793 -31.4920 -31.4918 -31.4917 -31.4917 0.0205 0.0433 4.6756 4.7242 5.6371 5.7198 6.1422 6.2451 6.9463 6.9626 7.6050 7.7279 8.2488 8.4172 9.1189 9.1922 10.8918 11.1282 12.6072 12.6496 14.0008 14.1805 14.8071 14.8885 15.3509 15.3828 k = 0.2123 0.1226 0.3466 ( 7492 PWs) bands (ev): -64.8216 -64.8216 -35.9413 -35.9413 -31.7794 -31.7793 -31.4920 -31.4918 -31.4917 -31.4917 -0.0280 -0.0073 4.7098 4.7515 5.6452 5.7342 6.1401 6.2314 6.9630 6.9881 7.5871 7.7371 8.3558 8.4725 9.1907 9.2740 10.9880 11.2247 12.5683 12.6151 13.9697 14.1426 14.6958 14.7752 15.3203 15.3478 k = 0.2052 0.1185 0.3351 ( 7476 PWs) bands (ev): -64.8216 -64.8216 -35.9413 -35.9413 -31.7794 -31.7793 -31.4919 -31.4918 -31.4917 -31.4917 -0.0767 -0.0580 4.7463 4.7817 5.6520 5.7470 6.1370 6.2173 6.9802 7.0130 7.5693 7.7417 8.4685 8.5385 9.2649 9.3594 11.0833 11.3204 12.5257 12.5768 13.9449 14.1106 14.5843 14.6607 15.2957 15.3078 k = 0.1981 0.1144 0.3235 ( 7480 PWs) bands (ev): -64.8216 -64.8216 -35.9413 -35.9413 -31.7794 -31.7793 -31.4919 -31.4918 -31.4917 -31.4917 -0.1254 -0.1086 4.7849 4.8144 5.6575 5.7580 6.1328 6.2030 6.9980 7.0376 7.5521 7.7421 8.5862 8.6144 9.3414 9.4482 11.1774 11.4152 12.4799 12.5352 13.9257 14.0839 14.4739 14.5465 15.2569 15.2755 k = 0.1910 0.1103 0.3120 ( 7481 PWs) bands (ev): -64.8216 -64.8216 -35.9413 -35.9413 -31.7794 -31.7793 -31.4919 -31.4918 -31.4917 -31.4917 -0.1739 -0.1589 4.8255 4.8494 5.6620 5.7673 6.1275 6.1885 7.0166 7.0619 7.5356 7.7391 8.6990 8.7083 9.4201 9.5402 11.2697 11.5087 12.4314 12.4908 13.9114 14.0614 14.3661 14.4335 15.1914 15.2578 k = 0.1840 0.1062 0.3004 ( 7489 PWs) bands (ev): -64.8216 -64.8216 -35.9413 -35.9413 -31.7794 -31.7793 -31.4919 -31.4918 -31.4917 -31.4917 -0.2220 -0.2087 4.8678 4.8865 5.6654 5.7749 6.1212 6.1738 7.0360 7.0861 7.5203 7.7336 8.7911 8.8342 9.5010 9.6355 11.3600 11.6007 12.3809 12.4442 13.9009 14.0405 14.2632 14.3228 15.1134 15.2394 k = 0.1769 0.1021 0.2889 ( 7483 PWs) bands (ev): -64.8216 -64.8216 -35.9413 -35.9413 -31.7794 -31.7793 -31.4919 -31.4918 -31.4917 -31.4917 -0.2696 -0.2578 4.9116 4.9254 5.6680 5.7807 6.1140 6.1590 7.0562 7.1102 7.5063 7.7263 8.8896 8.9634 9.5840 9.7339 11.4476 11.6907 12.3289 12.3963 13.8927 14.0147 14.1716 14.2157 15.0271 15.2141 k = 0.1698 0.0980 0.2773 ( 7471 PWs) bands (ev): -64.8216 -64.8216 -35.9413 -35.9413 -31.7794 -31.7793 -31.4919 -31.4918 -31.4917 -31.4917 -0.3165 -0.3060 4.9566 4.9660 5.6698 5.7850 6.1061 6.1443 7.0773 7.1344 7.4937 7.7177 8.9934 9.0955 9.6692 9.8353 11.5317 11.7785 12.2763 12.3482 13.8836 13.9677 14.1072 14.1148 14.9356 15.1724 k = 0.1627 0.0940 0.2657 ( 7477 PWs) bands (ev): -64.8216 -64.8216 -35.9414 -35.9414 -31.7794 -31.7793 -31.4919 -31.4918 -31.4917 -31.4917 -0.3625 -0.3533 5.0026 5.0078 5.6709 5.7876 6.0975 6.1296 7.0990 7.1586 7.4827 7.7084 9.1014 9.2297 9.7564 9.9398 11.6112 11.8634 12.2240 12.3014 13.8654 13.8913 14.0279 14.0777 14.8414 15.1097 k = 0.1557 0.0899 0.2542 ( 7487 PWs) bands (ev): -64.8216 -64.8216 -35.9414 -35.9414 -31.7794 -31.7793 -31.4919 -31.4918 -31.4917 -31.4917 -0.4074 -0.3995 5.0493 5.0507 5.6714 5.7887 6.0884 6.1152 7.1215 7.1829 7.4732 7.6988 9.2129 9.3655 9.8458 10.0472 11.6841 11.9444 12.1733 12.2578 13.8016 13.8203 13.9719 14.0665 14.7458 15.0323 k = 0.1486 0.0858 0.2426 ( 7491 PWs) bands (ev): -64.8216 -64.8216 -35.9414 -35.9414 -31.7794 -31.7793 -31.4918 -31.4918 -31.4917 -31.4917 -0.4513 -0.4444 5.0943 5.0965 5.6713 5.7885 6.0790 6.1011 7.1445 7.2073 7.4654 7.6891 9.3269 9.5019 9.9375 10.1574 11.7475 12.0171 12.1291 12.2208 13.7092 13.7447 13.9499 14.0624 14.6499 14.9469 k = 0.1415 0.0817 0.2311 ( 7503 PWs) bands (ev): -64.8216 -64.8216 -35.9414 -35.9414 -31.7794 -31.7793 -31.4918 -31.4918 -31.4917 -31.4917 -0.4938 -0.4879 5.1383 5.1438 5.6708 5.7869 6.0694 6.0874 7.1681 7.2316 7.4591 7.6794 9.4427 9.6379 10.0318 10.2704 11.7967 12.0447 12.1285 12.1955 13.6180 13.6570 13.9427 14.0609 14.5546 14.8574 k = 0.1344 0.0776 0.2195 ( 7505 PWs) bands (ev): -64.8216 -64.8216 -35.9414 -35.9414 -31.7794 -31.7793 -31.4918 -31.4918 -31.4917 -31.4917 -0.5350 -0.5299 5.1826 5.1909 5.6700 5.7841 6.0597 6.0742 7.1921 7.2559 7.4545 7.6701 9.5595 9.7721 10.1294 10.3860 11.8259 12.0110 12.1879 12.1882 13.5292 13.5673 13.9394 14.0599 14.4604 14.7658 k = 0.1274 0.0735 0.2080 ( 7501 PWs) bands (ev): -64.8216 -64.8216 -35.9414 -35.9414 -31.7794 -31.7793 -31.4918 -31.4918 -31.4917 -31.4917 -0.5746 -0.5703 5.2266 5.2375 5.6688 5.7802 6.0502 6.0616 7.2164 7.2801 7.4514 7.6611 9.6765 9.9026 10.2311 10.5039 11.8322 11.9707 12.2011 12.2540 13.4438 13.4790 13.9359 14.0578 14.3677 14.6733 k = 0.1203 0.0694 0.1964 ( 7505 PWs) bands (ev): -64.8216 -64.8216 -35.9414 -35.9414 -31.7794 -31.7793 -31.4918 -31.4918 -31.4917 -31.4917 -0.6126 -0.6091 5.2702 5.2833 5.6675 5.7754 6.0410 6.0498 7.2409 7.3040 7.4497 7.6526 9.7927 10.0269 10.3382 10.6240 11.8201 11.9332 12.2313 12.3172 13.3624 13.3937 13.9299 14.0534 14.2769 14.5806 k = 0.1132 0.0654 0.1849 ( 7505 PWs) bands (ev): -64.8216 -64.8216 -35.9414 -35.9414 -31.7794 -31.7793 -31.4918 -31.4918 -31.4917 -31.4917 -0.6490 -0.6460 5.3129 5.3280 5.6659 5.7698 6.0323 6.0389 7.2653 7.3276 7.4495 7.6444 9.9073 10.1425 10.4519 10.7460 11.7979 11.9008 12.2707 12.3760 13.2853 13.3121 13.9200 14.0453 14.1883 14.4880 k = 0.1061 0.0613 0.1733 ( 7507 PWs) bands (ev): -64.8216 -64.8216 -35.9415 -35.9415 -31.7794 -31.7793 -31.4918 -31.4917 -31.4917 -31.4917 -0.6835 -0.6811 5.3544 5.3711 5.6643 5.7636 6.0243 6.0290 7.2897 7.3506 7.4505 7.6368 10.0192 10.2472 10.5729 10.8694 11.7724 11.8753 12.3130 12.4296 13.2132 13.2350 13.9050 14.0323 14.1021 14.3958 k = 0.0991 0.0572 0.1618 ( 7519 PWs) bands (ev): -64.8216 -64.8216 -35.9415 -35.9415 -31.7794 -31.7793 -31.4918 -31.4917 -31.4917 -31.4917 -0.7162 -0.7142 5.3944 5.4124 5.6627 5.7569 6.0172 6.0203 7.3138 7.3731 7.4528 7.6295 10.1271 10.3400 10.7005 10.9937 11.7487 11.8580 12.3542 12.4775 13.1464 13.1630 13.8842 14.0128 14.0188 14.3039 k = 0.0920 0.0531 0.1502 ( 7515 PWs) bands (ev): -64.8216 -64.8216 -35.9415 -35.9415 -31.7794 -31.7793 -31.4917 -31.4917 -31.4917 -31.4917 -0.7469 -0.7453 5.4324 5.4513 5.6611 5.7497 6.0111 6.0129 7.3375 7.3948 7.4561 7.6226 10.2295 10.4207 10.8331 11.1182 11.7306 11.8506 12.3918 12.5187 13.0856 13.0969 13.8570 13.9371 13.9873 14.2123 k = 0.0849 0.0490 0.1387 ( 7521 PWs) bands (ev): -64.8216 -64.8216 -35.9415 -35.9415 -31.7794 -31.7793 -31.4917 -31.4917 -31.4917 -31.4917 -0.7756 -0.7744 5.4682 5.4876 5.6596 5.7424 6.0061 6.0069 7.3606 7.4155 7.4603 7.6160 10.3245 10.4893 10.9689 11.2419 11.7216 11.8542 12.4239 12.5522 13.0314 13.0377 13.8232 13.8587 13.9535 14.1209 k = 0.0778 0.0449 0.1271 ( 7525 PWs) bands (ev): -64.8216 -64.8216 -35.9415 -35.9415 -31.7794 -31.7793 -31.4917 -31.4917 -31.4917 -31.4917 -0.8022 -0.8013 5.5014 5.5209 5.6583 5.7349 6.0025 6.0025 7.3829 7.4352 7.4655 7.6097 10.4103 10.5461 11.1061 11.3633 11.7252 11.8700 12.4494 12.5769 12.9840 12.9865 13.7828 13.7829 13.9116 14.0296 k = 0.0708 0.0409 0.1155 ( 7523 PWs) bands (ev): -64.8216 -64.8216 -35.9415 -35.9415 -31.7794 -31.7793 -31.4917 -31.4917 -31.4917 -31.4917 -0.8267 -0.8260 5.5316 5.5509 5.6572 5.7273 5.9998 6.0003 7.4042 7.4537 7.4713 7.6036 10.4850 10.5913 11.2434 11.4801 11.7456 11.8982 12.4675 12.5915 12.9436 12.9444 13.7100 13.7362 13.8615 13.9386 k = 0.0637 0.0368 0.1040 ( 7523 PWs) bands (ev): -64.8216 -64.8216 -35.9415 -35.9415 -31.7794 -31.7793 -31.4917 -31.4917 -31.4917 -31.4917 -0.8490 -0.8485 5.5588 5.5773 5.6564 5.7199 5.9987 5.9996 7.4245 7.4707 7.4779 7.5976 10.5470 10.6259 11.3795 11.5884 11.7875 11.9385 12.4780 12.5955 12.9097 12.9116 13.6403 13.6838 13.8038 13.8483 k = 0.0566 0.0327 0.0924 ( 7519 PWs) bands (ev): -64.8216 -64.8216 -35.9415 -35.9415 -31.7794 -31.7793 -31.4917 -31.4917 -31.4917 -31.4917 -0.8691 -0.8688 5.5826 5.6000 5.6559 5.7126 5.9992 6.0002 7.4434 7.4849 7.4862 7.5917 10.5958 10.6509 11.5135 11.6848 11.8541 11.9895 12.4817 12.5897 12.8808 12.8866 13.5740 13.6266 13.7393 13.7596 k = 0.0495 0.0286 0.0809 ( 7503 PWs) bands (ev): -64.8216 -64.8216 -35.9415 -35.9415 -31.7794 -31.7793 -31.4917 -31.4917 -31.4917 -31.4917 -0.8869 -0.8867 5.6031 5.6190 5.6558 5.7056 6.0011 6.0020 7.4608 7.4924 7.5000 7.5857 10.6319 10.6680 11.6445 11.7717 11.9413 12.0491 12.4803 12.5768 12.8543 12.8657 13.5120 13.5656 13.6696 13.6738 k = 0.0425 0.0245 0.0693 ( 7503 PWs) bands (ev): -64.8216 -64.8216 -35.9415 -35.9415 -31.7793 -31.7793 -31.4917 -31.4917 -31.4917 -31.4917 -0.9025 -0.9023 5.6203 5.6344 5.6561 5.6988 6.0041 6.0048 7.4765 7.5003 7.5119 7.5797 10.6569 10.6788 11.7715 11.8566 12.0381 12.1145 12.4761 12.5606 12.8272 12.8440 13.4552 13.5029 13.5922 13.5966 k = 0.0354 0.0204 0.0578 ( 7503 PWs) bands (ev): -64.8216 -64.8216 -35.9415 -35.9415 -31.7793 -31.7793 -31.4917 -31.4917 -31.4917 -31.4917 -0.9156 -0.9155 5.6343 5.6465 5.6569 5.6925 6.0076 6.0081 7.4903 7.5085 7.5218 7.5735 10.6729 10.6851 11.8935 11.9441 12.1350 12.1825 12.4715 12.5446 12.7958 12.8162 13.4047 13.4421 13.5160 13.5227 k = 0.0283 0.0163 0.0462 ( 7491 PWs) bands (ev): -64.8216 -64.8216 -35.9415 -35.9415 -31.7793 -31.7793 -31.4917 -31.4917 -31.4917 -31.4917 -0.9265 -0.9264 5.6455 5.6556 5.6582 5.6866 6.0114 6.0117 7.5024 7.5166 7.5296 7.5671 10.6823 10.6884 12.0085 12.0339 12.2254 12.2494 12.4698 12.5318 12.7570 12.7778 13.3622 13.3876 13.4462 13.4514 k = 0.0212 0.0123 0.0347 ( 7483 PWs) bands (ev): -64.8216 -64.8216 -35.9415 -35.9415 -31.7793 -31.7793 -31.4917 -31.4917 -31.4917 -31.4917 -0.9349 -0.9349 5.6540 5.6602 5.6619 5.6811 6.0148 6.0150 7.5129 7.5242 7.5353 7.5605 10.6873 10.6897 12.1131 12.1225 12.3045 12.3123 12.4744 12.5245 12.7086 12.7263 13.3286 13.3436 13.3844 13.3866 k = 0.0142 0.0082 0.0231 ( 7467 PWs) bands (ev): -64.8216 -64.8216 -35.9415 -35.9415 -31.7793 -31.7793 -31.4917 -31.4917 -31.4917 -31.4917 -0.9409 -0.9409 5.6599 5.6628 5.6659 5.6761 6.0176 6.0176 7.5223 7.5308 7.5387 7.5537 10.6895 10.6902 12.1997 12.2014 12.3709 12.3716 12.4881 12.5236 12.6499 12.6617 13.3047 13.3123 13.3338 13.3339 k = 0.0071 0.0041 0.0116 ( 7451 PWs) bands (ev): -64.8216 -64.8216 -35.9415 -35.9415 -31.7793 -31.7793 -31.4917 -31.4917 -31.4917 -31.4917 -0.9446 -0.9446 5.6639 5.6658 5.6677 5.6716 6.0194 6.0194 7.5309 7.5358 7.5399 7.5465 10.6903 10.6904 12.2558 12.2558 12.4340 12.4345 12.5073 12.5251 12.5824 12.5876 13.2907 13.2937 13.2988 13.2996 k = 0.0000 0.0000 0.0000 ( 7391 PWs) bands (ev): -64.8216 -64.8216 -35.9415 -35.9415 -31.7793 -31.7793 -31.4917 -31.4917 -31.4917 -31.4917 -0.9458 -0.9458 5.6676 5.6676 5.6676 5.6676 6.0200 6.0200 7.5389 7.5389 7.5389 7.5389 10.6904 10.6904 12.2743 12.2743 12.4943 12.4943 12.5213 12.5213 12.5213 12.5213 13.2869 13.2869 13.2869 13.2869 k = 0.0000 0.0000 0.0000 ( 7391 PWs) bands (ev): -64.8216 -64.8216 -35.9415 -35.9415 -31.7793 -31.7793 -31.4917 -31.4917 -31.4917 -31.4917 -0.9458 -0.9458 5.6676 5.6676 5.6676 5.6676 6.0200 6.0200 7.5389 7.5389 7.5389 7.5389 10.6904 10.6904 12.2743 12.2743 12.4943 12.4943 12.5213 12.5213 12.5213 12.5213 13.2869 13.2869 13.2869 13.2869 k = 0.0114 0.0066 0.0046 ( 7451 PWs) bands (ev): -64.8216 -64.8216 -35.9415 -35.9415 -31.7793 -31.7793 -31.4917 -31.4917 -31.4917 -31.4917 -0.9446 -0.9446 5.6640 5.6667 5.6667 5.6718 6.0194 6.0194 7.5308 7.5378 7.5378 7.5467 10.6903 10.6903 12.2564 12.2564 12.4355 12.4355 12.5067 12.5256 12.5838 12.5838 13.2907 13.2938 13.2986 13.2986 k = 0.0227 0.0131 0.0093 ( 7487 PWs) bands (ev): -64.8216 -64.8216 -35.9415 -35.9415 -31.7793 -31.7793 -31.4917 -31.4917 -31.4917 -31.4917 -0.9411 -0.9411 5.6609 5.6638 5.6638 5.6764 6.0177 6.0177 7.5225 7.5346 7.5346 7.5541 10.6898 10.6898 12.2022 12.2022 12.3773 12.3773 12.4825 12.5197 12.6555 12.6555 13.3044 13.3112 13.3322 13.3322 k = 0.0341 0.0197 0.0139 ( 7493 PWs) bands (ev): -64.8216 -64.8216 -35.9415 -35.9415 -31.7793 -31.7793 -31.4917 -31.4917 -31.4917 -31.4917 -0.9352 -0.9352 5.6583 5.6589 5.6589 5.6815 6.0151 6.0151 7.5140 7.5292 7.5292 7.5612 10.6883 10.6883 12.1190 12.1190 12.3301 12.3301 12.4500 12.5044 12.7233 12.7233 13.3268 13.3381 13.3837 13.3837 k = 0.0455 0.0262 0.0186 ( 7493 PWs) bands (ev): -64.8216 -64.8216 -35.9415 -35.9415 -31.7793 -31.7793 -31.4917 -31.4917 -31.4917 -31.4917 -0.9271 -0.9271 5.6516 5.6516 5.6563 5.6871 6.0119 6.0119 7.5053 7.5219 7.5219 7.5681 10.6847 10.6847 12.0207 12.0207 12.2862 12.2862 12.4108 12.4812 12.7873 12.7873 13.3561 13.3729 13.4481 13.4481 k = 0.0568 0.0328 0.0232 ( 7493 PWs) bands (ev): -64.8216 -64.8216 -35.9415 -35.9415 -31.7793 -31.7793 -31.4917 -31.4917 -31.4917 -31.4917 -0.9166 -0.9166 5.6417 5.6417 5.6547 5.6931 6.0084 6.0084 7.4965 7.5125 7.5125 7.5746 10.6772 10.6772 11.9172 11.9172 12.2413 12.2413 12.3662 12.4515 12.8483 12.8483 13.3908 13.4137 13.5211 13.5211 k = 0.0682 0.0394 0.0278 ( 7499 PWs) bands (ev): -64.8216 -64.8216 -35.9415 -35.9415 -31.7793 -31.7793 -31.4917 -31.4917 -31.4917 -31.4917 -0.9038 -0.9038 5.6288 5.6288 5.6536 5.6994 6.0052 6.0052 7.4876 7.5014 7.5014 7.5809 10.6634 10.6634 11.8150 11.8150 12.1942 12.1942 12.3176 12.4167 12.9073 12.9073 13.4292 13.4590 13.5990 13.5990 k = 0.0795 0.0459 0.0325 ( 7499 PWs) bands (ev): -64.8216 -64.8216 -35.9415 -35.9415 -31.7793 -31.7793 -31.4917 -31.4917 -31.4917 -31.4917 -0.8888 -0.8888 5.6126 5.6126 5.6530 5.7061 6.0028 6.0028 7.4789 7.4885 7.4885 7.5870 10.6403 10.6403 11.7194 11.7194 12.1449 12.1449 12.2659 12.3780 12.9649 12.9649 13.4703 13.5071 13.6795 13.6795 k = 0.0909 0.0525 0.0371 ( 7505 PWs) bands (ev): -64.8216 -64.8216 -35.9415 -35.9415 -31.7793 -31.7793 -31.4917 -31.4917 -31.4917 -31.4917 -0.8715 -0.8715 5.5929 5.5929 5.6529 5.7131 6.0014 6.0014 7.4704 7.4740 7.4740 7.5930 10.6045 10.6045 11.6350 11.6350 12.0934 12.0934 12.2118 12.3361 13.0215 13.0215 13.5128 13.5566 13.7609 13.7609 k = 0.1023 0.0590 0.0418 ( 7511 PWs) bands (ev): -64.8216 -64.8216 -35.9415 -35.9415 -31.7794 -31.7794 -31.4917 -31.4917 -31.4917 -31.4917 -0.8520 -0.8520 5.5694 5.5694 5.6531 5.7203 6.0014 6.0014 7.4581 7.4581 7.4622 7.5989 10.5530 10.5530 11.5659 11.5659 12.0402 12.0402 12.1559 12.2917 13.0773 13.0773 13.5559 13.6064 13.8421 13.8421 k = 0.1136 0.0656 0.0464 ( 7511 PWs) bands (ev): -64.8216 -64.8216 -35.9415 -35.9415 -31.7794 -31.7794 -31.4917 -31.4917 -31.4917 -31.4917 -0.8304 -0.8304 5.5423 5.5423 5.6537 5.7276 6.0030 6.0030 7.4410 7.4410 7.4544 7.6048 10.4841 10.4841 11.5143 11.5143 11.9855 11.9855 12.0986 12.2452 13.1323 13.1323 13.5987 13.6554 13.9225 13.9225 k = 0.1250 0.0722 0.0510 ( 7507 PWs) bands (ev): -64.8216 -64.8216 -35.9415 -35.9415 -31.7794 -31.7794 -31.4917 -31.4917 -31.4917 -31.4917 -0.8067 -0.8067 5.5114 5.5114 5.6547 5.7350 6.0063 6.0063 7.4227 7.4227 7.4472 7.6107 10.3981 10.3981 11.4802 11.4802 11.9294 11.9294 12.0402 12.1971 13.1866 13.1866 13.6404 13.7026 14.0019 14.0019 k = 0.1364 0.0787 0.0557 ( 7507 PWs) bands (ev): -64.8216 -64.8216 -35.9415 -35.9415 -31.7794 -31.7794 -31.4917 -31.4917 -31.4917 -31.4917 -0.7809 -0.7809 5.4771 5.4771 5.6560 5.7424 6.0113 6.0113 7.4036 7.4036 7.4407 7.6168 10.2973 10.2973 11.4617 11.4617 11.8723 11.8723 11.9809 12.1475 13.2401 13.2401 13.6803 13.7470 14.0799 14.0799 k = 0.1477 0.0853 0.0603 ( 7513 PWs) bands (ev): -64.8216 -64.8216 -35.9415 -35.9415 -31.7794 -31.7794 -31.4917 -31.4917 -31.4917 -31.4917 -0.7530 -0.7530 5.4396 5.4396 5.6575 5.7497 6.0178 6.0178 7.3836 7.3836 7.4350 7.6231 10.1848 10.1848 11.4555 11.4555 11.8147 11.8147 11.9209 12.0965 13.2925 13.2925 13.7179 13.7878 14.1565 14.1565 k = 0.1591 0.0919 0.0649 ( 7507 PWs) bands (ev): -64.8216 -64.8216 -35.9415 -35.9415 -31.7794 -31.7794 -31.4918 -31.4918 -31.4917 -31.4917 -0.7233 -0.7233 5.3990 5.3990 5.6593 5.7569 6.0258 6.0258 7.3631 7.3631 7.4303 7.6296 10.0640 10.0640 11.4579 11.4579 11.7572 11.7572 11.8603 12.0444 13.3437 13.3437 13.7526 13.8244 14.2317 14.2317 k = 0.1705 0.0984 0.0696 ( 7510 PWs) bands (ev): -64.8216 -64.8216 -35.9415 -35.9415 -31.7794 -31.7794 -31.4918 -31.4918 -31.4917 -31.4917 -0.6916 -0.6916 5.3558 5.3558 5.6612 5.7637 6.0350 6.0350 7.3421 7.3421 7.4268 7.6366 9.9376 9.9376 11.4649 11.4649 11.7014 11.7014 11.7993 11.9911 13.3934 13.3934 13.7839 13.8561 14.3053 14.3053 k = 0.1818 0.1050 0.0742 ( 7504 PWs) bands (ev): -64.8216 -64.8216 -35.9414 -35.9414 -31.7794 -31.7794 -31.4918 -31.4918 -31.4917 -31.4917 -0.6582 -0.6582 5.3102 5.3102 5.6633 5.7703 6.0453 6.0453 7.3208 7.3208 7.4245 7.6440 9.8080 9.8080 11.4704 11.4704 11.6514 11.6514 11.7379 11.9368 13.4414 13.4414 13.8114 13.8826 14.3772 14.3772 k = 0.1932 0.1115 0.0789 ( 7510 PWs) bands (ev): -64.8216 -64.8216 -35.9414 -35.9414 -31.7794 -31.7794 -31.4918 -31.4918 -31.4917 -31.4917 -0.6231 -0.6231 5.2625 5.2625 5.6656 5.7764 6.0566 6.0566 7.2993 7.2993 7.4236 7.6518 9.6770 9.6770 11.4639 11.4639 11.6162 11.6162 11.6763 11.8815 13.4876 13.4876 13.8350 13.9037 14.4472 14.4472 k = 0.2045 0.1181 0.0835 ( 7498 PWs) bands (ev): -64.8216 -64.8216 -35.9414 -35.9414 -31.7794 -31.7794 -31.4918 -31.4918 -31.4917 -31.4917 -0.5864 -0.5864 5.2129 5.2129 5.6679 5.7821 6.0685 6.0685 7.2777 7.2777 7.4242 7.6603 9.5461 9.5461 11.4340 11.4340 11.6060 11.6060 11.6145 11.8253 13.5316 13.5316 13.8545 13.9194 14.5153 14.5153 k = 0.2159 0.1247 0.0881 ( 7501 PWs) bands (ev): -64.8216 -64.8216 -35.9414 -35.9414 -31.7794 -31.7794 -31.4918 -31.4918 -31.4917 -31.4917 -0.5482 -0.5482 5.1618 5.1618 5.6702 5.7871 6.0810 6.0810 7.2562 7.2562 7.4264 7.6693 9.4165 9.4165 11.3849 11.3849 11.5527 11.6159 11.6159 11.7682 13.5734 13.5734 13.8699 13.9300 14.5810 14.5810 k = 0.2273 0.1312 0.0928 ( 7492 PWs) bands (ev): -64.8216 -64.8216 -35.9414 -35.9414 -31.7794 -31.7794 -31.4918 -31.4918 -31.4917 -31.4917 -0.5086 -0.5086 5.1094 5.1094 5.6726 5.7916 6.0939 6.0939 7.2349 7.2349 7.4303 7.6789 9.2890 9.2890 11.3266 11.3266 11.4909 11.6353 11.6353 11.7104 13.6126 13.6126 13.8814 13.9357 14.6441 14.6441 k = 0.2386 0.1378 0.0974 ( 7486 PWs) bands (ev): -64.8216 -64.8216 -35.9414 -35.9414 -31.7794 -31.7794 -31.4918 -31.4918 -31.4917 -31.4917 -0.4677 -0.4677 5.0560 5.0560 5.6749 5.7953 6.1069 6.1069 7.2137 7.2137 7.4359 7.6891 9.1647 9.1647 11.2643 11.2643 11.4294 11.6518 11.6587 11.6587 13.6493 13.6493 13.8892 13.9372 14.7044 14.7044 k = 0.2500 0.1443 0.1021 ( 7480 PWs) bands (ev): -64.8216 -64.8216 -35.9414 -35.9414 -31.7794 -31.7794 -31.4918 -31.4918 -31.4917 -31.4917 -0.4258 -0.4258 5.0017 5.0017 5.6773 5.7984 6.1200 6.1200 7.1927 7.1927 7.4433 7.6999 9.0441 9.0441 11.2001 11.2001 11.3682 11.5928 11.6836 11.6836 13.6834 13.6834 13.8935 13.9350 14.7615 14.7615 k = 0.2614 0.1509 0.1067 ( 7471 PWs) bands (ev): -64.8216 -64.8216 -35.9414 -35.9414 -31.7794 -31.7794 -31.4918 -31.4918 -31.4917 -31.4917 -0.3829 -0.3829 4.9467 4.9467 5.6796 5.8007 6.1329 6.1329 7.1720 7.1720 7.4526 7.7114 8.9279 8.9279 11.1350 11.1350 11.3076 11.5333 11.7089 11.7089 13.7147 13.7147 13.8949 13.9298 14.8153 14.8153 k = 0.2727 0.1575 0.1113 ( 7468 PWs) bands (ev): -64.8216 -64.8216 -35.9414 -35.9414 -31.7794 -31.7794 -31.4918 -31.4918 -31.4917 -31.4917 -0.3392 -0.3392 4.8914 4.8914 5.6819 5.8023 6.1456 6.1456 7.1515 7.1515 7.4636 7.7233 8.8167 8.8167 11.0697 11.0697 11.2476 11.4735 11.7340 11.7340 13.7435 13.7435 13.8935 13.9220 14.8654 14.8654 k = 0.2841 0.1640 0.1160 ( 7459 PWs) bands (ev): -64.8216 -64.8216 -35.9413 -35.9413 -31.7794 -31.7794 -31.4919 -31.4919 -31.4917 -31.4917 -0.2949 -0.2949 4.8359 4.8359 5.6841 5.8031 6.1579 6.1579 7.1311 7.1311 7.4765 7.7358 8.7111 8.7111 11.0046 11.0046 11.1885 11.4136 11.7584 11.7584 13.7696 13.7696 13.8900 13.9124 14.9118 14.9118 k = 0.2955 0.1706 0.1206 ( 7456 PWs) bands (ev): -64.8216 -64.8216 -35.9413 -35.9413 -31.7794 -31.7794 -31.4919 -31.4919 -31.4917 -31.4917 -0.2502 -0.2502 4.7805 4.7805 5.6863 5.8031 6.1696 6.1696 7.1109 7.1109 7.4910 7.7486 8.6114 8.6114 10.9401 10.9401 11.1306 11.3538 11.7820 11.7820 13.7932 13.7932 13.8845 13.9014 14.9544 14.9544 k = 0.3068 0.1771 0.1253 ( 7456 PWs) bands (ev): -64.8216 -64.8216 -35.9413 -35.9413 -31.7794 -31.7794 -31.4919 -31.4919 -31.4917 -31.4917 -0.2054 -0.2054 4.7254 4.7254 5.6884 5.8025 6.1807 6.1807 7.0907 7.0907 7.5072 7.7617 8.5182 8.5182 10.8765 10.8765 11.0740 11.2943 11.8044 11.8044 13.8144 13.8144 13.8777 13.8896 14.9932 14.9932 k = 0.3182 0.1837 0.1299 ( 7456 PWs) bands (ev): -64.8216 -64.8216 -35.9413 -35.9413 -31.7794 -31.7794 -31.4919 -31.4919 -31.4917 -31.4917 -0.1606 -0.1606 4.6708 4.6708 5.6905 5.8012 6.1910 6.1910 7.0705 7.0705 7.5249 7.7749 8.4318 8.4318 10.8141 10.8141 11.0190 11.2353 11.8256 11.8256 13.8335 13.8335 13.8697 13.8772 15.0282 15.0282 k = 0.3295 0.1903 0.1345 ( 7438 PWs) bands (ev): -64.8216 -64.8216 -35.9413 -35.9413 -31.7794 -31.7794 -31.4919 -31.4919 -31.4917 -31.4916 -0.1161 -0.1161 4.6170 4.6170 5.6926 5.7992 6.2006 6.2006 7.0500 7.0500 7.5441 7.7882 8.3525 8.3525 10.7532 10.7532 10.9658 11.1770 11.8456 11.8456 13.8504 13.8504 13.8610 13.8646 15.0595 15.0595 k = 0.3409 0.1968 0.1392 ( 7450 PWs) bands (ev): -64.8216 -64.8216 -35.9413 -35.9413 -31.7794 -31.7794 -31.4919 -31.4919 -31.4917 -31.4916 -0.0723 -0.0723 4.5643 4.5643 5.6947 5.7967 6.2093 6.2093 7.0294 7.0294 7.5644 7.8013 8.2806 8.2806 10.6942 10.6942 10.9148 11.1197 11.8642 11.8642 13.8517 13.8522 13.8654 13.8654 15.0875 15.0875 k = 0.3523 0.2034 0.1438 ( 7450 PWs) bands (ev): -64.8216 -64.8216 -35.9413 -35.9413 -31.7794 -31.7794 -31.4919 -31.4919 -31.4916 -31.4916 -0.0293 -0.0293 4.5130 4.5130 5.6968 5.7936 6.2172 6.2172 7.0085 7.0085 7.5858 7.8139 8.2160 8.2160 10.6374 10.6374 10.8662 11.0637 11.8814 11.8814 13.8401 13.8422 13.8787 13.8787 15.1121 15.1121 k = 0.3636 0.2099 0.1485 ( 7468 PWs) bands (ev): -64.8216 -64.8216 -35.9413 -35.9413 -31.7794 -31.7794 -31.4919 -31.4919 -31.4916 -31.4916 0.0125 0.0125 4.4634 4.4634 5.6990 5.7901 6.2242 6.2242 6.9874 6.9874 7.6080 7.8260 8.1589 8.1589 10.5830 10.5830 10.8204 11.0093 11.8973 11.8973 13.8285 13.8326 13.8904 13.8904 15.1338 15.1338 k = 0.3750 0.2165 0.1531 ( 7474 PWs) bands (ev): -64.8216 -64.8216 -35.9413 -35.9413 -31.7794 -31.7794 -31.4919 -31.4919 -31.4916 -31.4916 0.0528 0.0528 4.4158 4.4158 5.7012 5.7862 6.2304 6.2304 6.9663 6.9663 7.6309 7.8373 8.1090 8.1090 10.5314 10.5314 10.7776 10.9567 11.9118 11.9118 13.8176 13.8232 13.9006 13.9006 15.1527 15.1527 k = 0.3864 0.2231 0.1577 ( 7477 PWs) bands (ev): -64.8216 -64.8216 -35.9413 -35.9413 -31.7794 -31.7794 -31.4919 -31.4919 -31.4916 -31.4916 0.0912 0.0912 4.3706 4.3706 5.7035 5.7820 6.2358 6.2358 6.9452 6.9452 7.6541 7.8476 8.0660 8.0660 10.4828 10.4828 10.7382 10.9062 11.9250 11.9250 13.8076 13.8142 13.9095 13.9095 15.1691 15.1691 k = 0.3977 0.2296 0.1624 ( 7480 PWs) bands (ev): -64.8216 -64.8216 -35.9413 -35.9413 -31.7794 -31.7794 -31.4919 -31.4919 -31.4916 -31.4916 0.1274 0.1274 4.3282 4.3282 5.7059 5.7775 6.2405 6.2405 6.9245 6.9245 7.6775 7.8566 8.0296 8.0296 10.4377 10.4377 10.7025 10.8582 11.9368 11.9368 13.7984 13.8055 13.9172 13.9172 15.1832 15.1832 k = 0.4091 0.2362 0.1670 ( 7483 PWs) bands (ev): -64.8216 -64.8216 -35.9413 -35.9413 -31.7794 -31.7794 -31.4920 -31.4920 -31.4916 -31.4916 0.1611 0.1611 4.2890 4.2890 5.7085 5.7729 6.2445 6.2445 6.9046 6.9046 7.7007 7.8640 7.9992 7.9992 10.3963 10.3963 10.6708 10.8129 11.9473 11.9473 13.7901 13.7974 13.9238 13.9238 15.1953 15.1953 k = 0.4205 0.2427 0.1716 ( 7480 PWs) bands (ev): -64.8216 -64.8216 -35.9413 -35.9413 -31.7794 -31.7794 -31.4920 -31.4920 -31.4916 -31.4916 0.1918 0.1918 4.2532 4.2532 5.7112 5.7681 6.2478 6.2478 6.8857 6.8857 7.7235 7.8698 7.9743 7.9743 10.3589 10.3589 10.6434 10.7708 11.9565 11.9565 13.7829 13.7900 13.9294 13.9294 15.2055 15.2055 k = 0.4318 0.2493 0.1763 ( 7468 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7794 -31.7794 -31.4920 -31.4920 -31.4916 -31.4916 0.2193 0.2193 4.2213 4.2213 5.7141 5.7633 6.2506 6.2506 6.8684 6.8684 7.7456 7.8736 7.9542 7.9542 10.3259 10.3259 10.6204 10.7321 11.9644 11.9644 13.7767 13.7833 13.9341 13.9341 15.2140 15.2140 k = 0.4432 0.2559 0.1809 ( 7474 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7794 -31.7794 -31.4920 -31.4920 -31.4916 -31.4916 0.2431 0.2431 4.1936 4.1936 5.7171 5.7584 6.2528 6.2528 6.8530 6.8530 7.7667 7.8753 7.9385 7.9385 10.2974 10.2974 10.6023 10.6971 11.9711 11.9711 13.7715 13.7774 13.9379 13.9379 15.2209 15.2209 k = 0.4545 0.2624 0.1856 ( 7471 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7794 -31.7794 -31.4920 -31.4920 -31.4916 -31.4916 0.2631 0.2631 4.1704 4.1704 5.7204 5.7536 6.2546 6.2546 6.8398 6.8398 7.7866 7.8747 7.9264 7.9264 10.2737 10.2737 10.5890 10.6661 11.9765 11.9765 13.7674 13.7724 13.9410 13.9410 15.2264 15.2264 k = 0.4659 0.2690 0.1902 ( 7477 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7794 -31.7794 -31.4920 -31.4920 -31.4916 -31.4916 0.2790 0.2790 4.1521 4.1521 5.7239 5.7489 6.2559 6.2559 6.8292 6.8292 7.8049 7.8718 7.9176 7.9176 10.2550 10.2550 10.5808 10.6394 11.9807 11.9807 13.7644 13.7683 13.9434 13.9434 15.2306 15.2306 k = 0.4773 0.2756 0.1948 ( 7477 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7794 -31.7794 -31.4920 -31.4920 -31.4916 -31.4916 0.2904 0.2904 4.1389 4.1389 5.7276 5.7443 6.2568 6.2568 6.8214 6.8214 7.8215 7.8664 7.9116 7.9116 10.2416 10.2416 10.5778 10.6172 11.9837 11.9837 13.7624 13.7651 13.9450 13.9450 15.2335 15.2335 k = 0.4886 0.2821 0.1995 ( 7471 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7794 -31.7794 -31.4920 -31.4920 -31.4916 -31.4916 0.2974 0.2974 4.1308 4.1308 5.7315 5.7398 6.2574 6.2574 6.8167 6.8167 7.8361 7.8587 7.9081 7.9081 10.2334 10.2334 10.5800 10.5998 11.9855 11.9855 13.7616 13.7629 13.9460 13.9460 15.2352 15.2352 k = 0.5000 0.2887 0.2041 ( 7456 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7794 -31.7794 -31.4920 -31.4920 -31.4916 -31.4916 0.2997 0.2997 4.1282 4.1282 5.7355 5.7355 6.2576 6.2576 6.8151 6.8151 7.8485 7.8485 7.9069 7.9069 10.2307 10.2307 10.5874 10.5874 11.9861 11.9861 13.7617 13.7617 13.9463 13.9463 15.2358 15.2358 k = 0.5000 0.2887 0.2041 ( 7456 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7794 -31.7794 -31.4920 -31.4920 -31.4916 -31.4916 0.2997 0.2997 4.1282 4.1282 5.7355 5.7355 6.2576 6.2576 6.8151 6.8151 7.8485 7.8485 7.9069 7.9069 10.2307 10.2307 10.5874 10.5874 11.9861 11.9861 13.7617 13.7617 13.9463 13.9463 15.2358 15.2358 k = 0.5040 0.2770 0.2107 ( 7477 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7794 -31.7794 -31.4920 -31.4920 -31.4916 -31.4916 0.2992 0.3019 4.1268 4.1313 5.7355 5.7355 6.2556 6.2586 6.8102 6.8193 7.8480 7.8481 7.9010 7.9114 10.2187 10.2296 10.5796 10.5801 11.9950 11.9970 13.7620 13.7623 13.9411 13.9572 15.2332 15.2583 k = 0.5081 0.2654 0.2173 ( 7477 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7794 -31.7793 -31.4920 -31.4920 -31.4916 -31.4916 0.3003 0.3057 4.1272 4.1361 5.7352 5.7353 6.2526 6.2588 6.8047 6.8228 7.8465 7.8469 7.8933 7.9144 10.1926 10.2163 10.5565 10.5601 12.0231 12.0265 13.7619 13.7643 13.9435 13.9731 15.2506 15.2999 k = 0.5121 0.2538 0.2239 ( 7479 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7794 -31.7793 -31.4920 -31.4920 -31.4916 -31.4916 0.3031 0.3111 4.1292 4.1427 5.7347 5.7351 6.2485 6.2582 6.7984 6.8257 7.8436 7.8451 7.8837 7.9164 10.1519 10.1913 10.5200 10.5312 12.0678 12.0714 13.7603 13.7677 13.9558 13.9944 15.2876 15.3589 k = 0.5161 0.2421 0.2305 ( 7472 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7794 -31.7793 -31.4920 -31.4920 -31.4916 -31.4916 0.3074 0.3181 4.1330 4.1510 5.7338 5.7347 6.2435 6.2571 6.7914 6.8278 7.8393 7.8427 7.8722 7.9175 10.0968 10.1552 10.4732 10.4967 12.1254 12.1281 13.7572 13.7725 13.9796 14.0224 15.3430 15.4337 k = 0.5202 0.2305 0.2370 ( 7470 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7794 -31.7793 -31.4920 -31.4920 -31.4916 -31.4916 0.3133 0.3266 4.1385 4.1611 5.7323 5.7340 6.2375 6.2556 6.7836 6.8291 7.8331 7.8398 7.8587 7.9183 10.0288 10.1083 10.4196 10.4592 12.1919 12.1928 13.7540 13.7791 14.0147 14.0581 15.4151 15.5223 k = 0.5242 0.2188 0.2436 ( 7476 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7794 -31.7793 -31.4920 -31.4919 -31.4917 -31.4917 0.3207 0.3367 4.1456 4.1729 5.7301 5.7330 6.2306 6.2540 6.7752 6.8298 7.8250 7.8361 7.8436 7.9188 9.9500 10.0514 10.3622 10.4196 12.2622 12.2633 13.7529 13.7886 14.0603 14.1022 15.5019 15.6225 k = 0.5282 0.2072 0.2502 ( 7474 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7794 -31.7793 -31.4920 -31.4919 -31.4917 -31.4917 0.3297 0.3483 4.1543 4.1864 5.7270 5.7316 6.2231 6.2525 6.7660 6.8296 7.8147 7.8243 7.8343 7.9194 9.8632 9.9856 10.3028 10.3784 12.3330 12.3363 13.7563 13.8027 14.1155 14.1548 15.6015 15.7322 k = 0.5323 0.1956 0.2568 ( 7476 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7794 -31.7793 -31.4920 -31.4919 -31.4917 -31.4917 0.3401 0.3612 4.1645 4.2015 5.7227 5.7295 6.2149 6.2515 6.7561 6.8285 7.8022 7.8049 7.8302 7.9203 9.7710 9.9128 10.2427 10.3355 12.4026 12.4077 13.7663 13.8231 14.1794 14.2155 15.7115 15.8486 k = 0.5363 0.1839 0.2634 ( 7478 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7794 -31.7793 -31.4920 -31.4919 -31.4917 -31.4917 0.3518 0.3756 4.1763 4.2183 5.7172 5.7266 6.2064 6.2512 6.7454 6.8264 7.7833 7.7876 7.8263 7.9216 9.6755 9.8347 10.1821 10.2907 12.4687 12.4750 13.7846 13.8517 14.2511 14.2838 15.8293 15.9684 k = 0.5403 0.1723 0.2700 ( 7482 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7794 -31.7793 -31.4920 -31.4919 -31.4917 -31.4917 0.3649 0.3912 4.1895 4.2366 5.7101 5.7225 6.1978 6.2518 6.7341 6.8232 7.7597 7.7708 7.8224 7.9234 9.5785 9.7534 10.1210 10.2441 12.5294 12.5362 13.8126 13.8900 14.3301 14.3593 15.9515 16.0862 k = 0.5444 0.1606 0.2766 ( 7482 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4920 -31.4919 -31.4917 -31.4917 0.3792 0.4080 4.2041 4.2565 5.7014 5.7172 6.1892 6.2536 6.7222 6.8189 7.7344 7.7520 7.8186 7.9256 9.4815 9.6704 10.0593 10.1957 12.5833 12.5899 13.8512 13.9389 14.4156 14.4412 16.0727 16.1936 k = 0.5484 0.1490 0.2831 ( 7478 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4920 -31.4919 -31.4917 -31.4917 0.3947 0.4260 4.2199 4.2779 5.6910 5.7102 6.1810 6.2569 6.7097 6.8132 7.7076 7.7315 7.8148 7.9283 9.3857 9.5872 9.9970 10.1457 12.6295 12.6353 13.9005 13.9988 14.5070 14.5291 16.1829 16.2765 k = 0.5524 0.1374 0.2897 ( 7478 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4920 -31.4919 -31.4917 -31.4917 0.4112 0.4449 4.2369 4.3006 5.6788 5.7015 6.1733 6.2617 6.6967 6.8061 7.6796 7.7095 7.8113 7.9316 9.2920 9.5049 9.9341 10.0942 12.6678 12.6725 13.9603 14.0691 14.6040 14.6223 16.2638 16.3175 k = 0.5565 0.1257 0.2963 ( 7477 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4920 -31.4919 -31.4917 -31.4917 0.4287 0.4647 4.2549 4.3245 5.6649 5.6908 6.1664 6.2682 6.6833 6.7974 7.6507 7.6861 7.8079 7.9353 9.2010 9.4245 9.8706 10.0416 12.6986 12.7017 14.0293 14.1487 14.7057 14.7201 16.2915 16.3089 k = 0.5605 0.1141 0.3029 ( 7483 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4917 -31.4917 0.4469 0.4853 4.2738 4.3495 5.6495 5.6781 6.1603 6.2762 6.6698 6.7869 7.6213 7.6616 7.8048 7.9395 9.1134 9.3465 9.8067 9.9879 12.7224 12.7240 14.1058 14.2360 14.8118 14.8220 16.2614 16.2617 k = 0.5645 0.1024 0.3095 ( 7486 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4917 -31.4917 0.4659 0.5065 4.2934 4.3753 5.6327 5.6634 6.1552 6.2859 6.6562 6.7747 7.5918 7.6365 7.8021 7.9442 9.0296 9.2717 9.7425 9.9334 12.7402 12.7403 14.1878 14.3286 14.9216 14.9273 16.1938 16.1959 k = 0.5685 0.0908 0.3161 ( 7480 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4917 -31.4917 0.4854 0.5282 4.3134 4.4019 5.6148 5.6469 6.1511 6.2969 6.6427 6.7607 7.5628 7.6109 7.7998 7.9492 8.9498 9.2004 9.6781 9.8784 12.7516 12.7531 14.2726 14.4240 15.0344 15.0351 16.1175 16.1189 k = 0.5726 0.0792 0.3226 ( 7482 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4917 -31.4917 0.5054 0.5502 4.3335 4.4287 5.5963 5.6288 6.1479 6.3093 6.6297 6.7448 7.5348 7.5853 7.7979 7.9545 8.8743 9.1329 9.6137 9.8230 12.7588 12.7618 14.3570 14.5185 15.1445 15.1493 16.0400 16.0460 k = 0.5766 0.0675 0.3292 ( 7480 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4917 -31.4917 0.5255 0.5723 4.3535 4.4556 5.5776 5.6095 6.1454 6.3226 6.6172 6.7273 7.5082 7.5598 7.7963 7.9600 8.8031 9.0694 9.5496 9.7675 12.7628 12.7673 14.4374 14.6078 15.2542 15.2651 15.9728 15.9821 k = 0.5806 0.0559 0.3358 ( 7489 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4917 -31.4917 0.5458 0.5943 4.3730 4.4820 5.5592 5.5898 6.1434 6.3367 6.6056 6.7085 7.4834 7.5349 7.7951 7.9657 8.7364 9.0102 9.4858 9.7121 12.7642 12.7702 14.5092 14.6858 15.3626 15.3802 15.9244 15.9338 k = 0.5847 0.0442 0.3424 ( 7485 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4917 -31.4917 0.5659 0.6161 4.3916 4.5074 5.5418 5.5704 6.1419 6.3511 6.5950 6.6887 7.4608 7.5107 7.7942 7.9713 8.6741 8.9554 9.4225 9.6570 12.7635 12.7710 14.5676 14.7456 15.4685 15.4919 15.9032 15.9084 k = 0.5887 0.0326 0.3490 ( 7475 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4917 -31.4917 0.5857 0.6375 4.4087 4.5311 5.5260 5.5522 6.1405 6.3653 6.5858 6.6685 7.4408 7.4876 7.7934 7.9767 8.6163 8.9052 9.3599 9.6023 12.7611 12.7701 14.6077 14.7801 15.5712 15.5961 15.9136 15.9156 k = 0.5927 0.0210 0.3556 ( 7469 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4917 -31.4917 0.6050 0.6581 4.4240 4.5524 5.5125 5.5363 6.1393 6.3787 6.5778 6.6488 7.4233 7.4656 7.7927 7.9818 8.5630 8.8597 9.2983 9.5482 12.7574 12.7679 14.6262 14.7863 15.6729 15.6894 15.9548 15.9612 k = 0.5968 0.0093 0.3622 ( 7475 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4917 -31.4917 0.6235 0.6779 4.4369 4.5704 5.5020 5.5238 6.1382 6.3907 6.5713 6.6306 7.4087 7.4451 7.7919 7.9864 8.5143 8.8190 9.2377 9.4949 12.7525 12.7647 14.6228 14.7661 15.7738 15.7777 16.0287 16.0321 k = 0.6008-0.0023 0.3687 ( 7474 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4918 -31.4917 0.6411 0.6964 4.4469 4.5845 5.4952 5.5160 6.1371 6.4002 6.5663 6.6151 7.3968 7.4260 7.7907 7.9902 8.4703 8.7833 9.1783 9.4426 12.7468 12.7605 14.5998 14.7253 15.8565 15.8883 16.1174 16.1231 k = 0.6048-0.0140 0.3753 ( 7472 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4918 -31.4917 0.6575 0.7136 4.4539 4.5939 5.4928 5.5139 6.1361 6.4063 6.5625 6.6035 7.3876 7.4085 7.7889 7.9930 8.4313 8.7527 9.1203 9.3915 12.7402 12.7556 14.5614 14.6704 15.9426 16.0044 16.2080 16.2262 k = 0.6089-0.0256 0.3819 ( 7472 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4918 -31.4917 0.6725 0.7291 4.4574 4.5982 5.4951 5.5183 6.1355 6.4083 6.5599 6.5969 7.3809 7.3925 7.7864 7.9948 8.3973 8.7275 9.0640 9.3416 12.7329 12.7501 14.5119 14.6067 16.0320 16.1237 16.2975 16.3306 k = 0.6129-0.0372 0.3885 ( 7473 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4918 -31.4917 0.6858 0.7427 4.4575 4.5971 5.5025 5.5297 6.1354 6.4062 6.5582 6.5955 7.3765 7.3780 7.7831 7.9954 8.3686 8.7077 9.0095 9.2934 12.7249 12.7439 14.4548 14.5378 16.1220 16.2429 16.3815 16.4314 k = 0.6169-0.0489 0.3951 ( 7477 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4918 -31.4917 0.6972 0.7541 4.4545 4.5910 5.5149 5.5482 6.1363 6.4010 6.5572 6.5987 7.3649 7.3742 7.7788 7.9948 8.3453 8.6934 8.9571 9.2469 12.7164 12.7373 14.3930 14.4664 16.2091 16.3575 16.4578 16.5253 k = 0.6210-0.0605 0.4017 ( 7479 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4918 -31.4917 0.7065 0.7631 4.4486 4.5805 5.5320 5.5733 6.1383 6.3941 6.5566 6.6055 7.3532 7.3735 7.7738 7.9931 8.3275 8.6846 8.9070 9.2023 12.7072 12.7301 14.3285 14.3940 16.2897 16.4591 16.5287 16.6099 k = 0.6250-0.0722 0.4082 ( 7474 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4918 -31.4917 0.7135 0.7695 4.4404 4.5664 5.5535 5.6043 6.1419 6.3867 6.5563 6.6147 7.3425 7.3740 7.7684 7.9905 8.3152 8.6810 8.8595 9.1601 12.6974 12.7224 14.2628 14.3217 16.3608 16.5326 16.6047 16.6834 k = 0.6250-0.0722 0.4082 ( 7474 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4918 -31.4917 0.7135 0.7695 4.4404 4.5664 5.5535 5.6043 6.1419 6.3867 6.5563 6.6147 7.3425 7.3740 7.7684 7.9905 8.3152 8.6810 8.8595 9.1601 12.6974 12.7224 14.2628 14.3217 16.3608 16.5326 16.6047 16.6834 k = 0.6181-0.0682 0.4196 ( 7471 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4918 -31.4917 0.7137 0.7699 4.4415 4.5676 5.5526 5.6039 6.1406 6.3865 6.5487 6.6217 7.3389 7.3769 7.7662 7.9924 8.3087 8.6772 8.8639 9.1643 12.7028 12.7292 14.2630 14.3221 16.2931 16.4736 16.6274 16.7853 k = 0.6111-0.0642 0.4309 ( 7475 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4918 -31.4917 0.7145 0.7709 4.4448 4.5713 5.5501 5.6027 6.1367 6.3855 6.5327 6.6365 7.3305 7.3835 7.7598 7.9979 8.2901 8.6660 8.8767 9.1763 12.7193 12.7492 14.2636 14.3231 16.1736 16.3399 16.7347 16.9235 k = 0.6042-0.0601 0.4423 ( 7470 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4918 -31.4917 0.7158 0.7725 4.4502 4.5774 5.5460 5.6006 6.1303 6.3823 6.5157 6.6528 7.3199 7.3909 7.7500 8.0062 8.2620 8.6481 8.8964 9.1943 12.7472 12.7817 14.2645 14.3249 16.0447 16.2017 16.8450 17.0617 k = 0.5972-0.0561 0.4536 ( 7470 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4918 -31.4917 0.7176 0.7748 4.4578 4.5858 5.5402 5.5976 6.1218 6.3747 6.5022 6.6687 7.3084 7.3980 7.7377 8.0165 8.2278 8.6250 8.9210 9.2163 12.7865 12.8262 14.2658 14.3273 15.9133 16.0638 16.9401 17.1863 k = 0.5903-0.0521 0.4649 ( 7469 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4918 -31.4917 0.7198 0.7776 4.4673 4.5966 5.5327 5.5934 6.1113 6.3605 6.4949 6.6831 7.2961 7.4045 7.7239 8.0276 8.1904 8.5983 8.9482 9.2403 12.8373 12.8819 14.2672 14.3303 15.7815 15.9274 16.9989 17.2221 k = 0.5833-0.0481 0.4763 ( 7465 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4918 -31.4917 0.7224 0.7809 4.4788 4.6095 5.5236 5.5879 6.0993 6.3395 6.4948 6.6957 7.2835 7.4102 7.7093 8.0378 8.1537 8.5697 8.9761 9.2648 12.8991 12.9481 14.2688 14.3338 15.6503 15.7928 16.9984 17.1378 k = 0.5764-0.0441 0.4876 ( 7466 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4918 -31.4917 0.7254 0.7847 4.4920 4.6246 5.5128 5.5810 6.0864 6.3132 6.5004 6.7063 7.2707 7.4151 7.6946 8.0423 8.1236 8.5403 9.0034 9.2886 12.9714 13.0241 14.2704 14.3377 15.5203 15.6603 16.9432 17.0333 k = 0.5694-0.0401 0.4990 ( 7474 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4918 -31.4917 0.7287 0.7889 4.5068 4.6414 5.5004 5.5724 6.0729 6.2836 6.5103 6.7147 7.2577 7.4193 7.6801 8.0316 8.1108 8.5110 9.0291 9.3109 13.0536 13.1090 14.2718 14.3419 15.3919 15.5303 16.8599 16.9291 k = 0.5625-0.0361 0.5103 ( 7473 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4918 -31.4917 0.7322 0.7932 4.5228 4.6600 5.4865 5.5619 6.0594 6.2524 6.5230 6.7208 7.2448 7.4231 7.6659 8.0064 8.1157 8.4821 9.0525 9.3311 13.1449 13.2020 14.2728 14.3462 15.2656 15.4031 16.7674 16.8283 k = 0.5556-0.0321 0.5217 ( 7473 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4918 -31.4917 0.7358 0.7978 4.5399 4.6798 5.4713 5.5494 6.0466 6.2208 6.5378 6.7245 7.2321 7.4268 7.6521 7.9774 8.1283 8.4542 9.0735 9.3490 13.2442 13.3019 14.2731 14.3505 15.1416 15.2789 16.6747 16.7319 k = 0.5486-0.0281 0.5330 ( 7475 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4918 -31.4917 0.7395 0.8023 4.5575 4.7006 5.4551 5.5350 6.0350 6.1898 6.5540 6.7257 7.2198 7.4309 7.6384 7.9500 8.1438 8.4273 9.0916 9.3644 13.3505 13.4076 14.2723 14.3546 15.0205 15.1583 16.5861 16.6411 k = 0.5417-0.0241 0.5443 ( 7471 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4918 -31.4917 0.7431 0.8068 4.5752 4.7218 5.4383 5.5189 6.0251 6.1603 6.5712 6.7244 7.2083 7.4357 7.6244 7.9262 8.1606 8.4016 9.1070 9.3771 13.4622 13.5177 14.2701 14.3582 14.9025 15.0417 16.5042 16.5571 k = 0.5347-0.0200 0.5557 ( 7489 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4918 -31.4917 0.7466 0.8110 4.5923 4.7427 5.4215 5.5015 6.0174 6.1331 6.5889 6.7207 7.1977 7.4417 7.6101 7.9067 8.1782 8.3771 9.1195 9.3874 13.5776 13.6304 14.2658 14.3612 14.7885 14.9300 16.4306 16.4812 k = 0.5278-0.0160 0.5670 ( 7480 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4918 -31.4917 0.7497 0.8148 4.6082 4.7625 5.4056 5.4837 6.0122 6.1088 6.6068 6.7147 7.1884 7.4489 7.5954 7.8915 8.1963 8.3538 9.1293 9.3953 13.6941 13.7431 14.2588 14.3635 14.6795 14.8245 16.3671 16.4147 k = 0.5208-0.0120 0.5784 ( 7480 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4918 -31.4917 0.7524 0.8181 4.6220 4.7800 5.3915 5.4668 6.0094 6.0880 6.6244 6.7066 7.1807 7.4575 7.5805 7.8804 8.2146 8.3316 9.1366 9.4009 13.8083 13.8520 14.2484 14.3653 14.5776 14.7274 16.3151 16.3593 k = 0.5139-0.0080 0.5897 ( 7482 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4918 -31.4917 0.7545 0.8207 4.6328 4.7941 5.3803 5.4524 6.0087 6.0715 6.6414 6.6965 7.1748 7.4669 7.5665 7.8732 8.2330 8.3106 9.1415 9.4046 13.9138 13.9500 14.2343 14.3675 14.4873 14.6429 16.2763 16.3168 k = 0.5069-0.0040 0.6010 ( 7460 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7792 -31.4921 -31.4918 -31.4918 -31.4917 0.7559 0.8223 4.6397 4.8034 5.3730 5.4424 6.0094 6.0604 6.6573 6.6849 7.1712 7.4753 7.5551 7.8692 8.2510 8.2911 9.1443 9.4066 13.9981 14.0219 14.2200 14.3714 14.4189 14.5791 16.2522 16.2894 k = 0.5000 0.0000 0.6124 ( 7456 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7792 -31.4921 -31.4918 -31.4918 -31.4917 0.7564 0.8229 4.6422 4.8067 5.3705 5.4387 6.0100 6.0564 6.6717 6.6720 7.1699 7.4791 7.5502 7.8679 8.2639 8.2777 9.1451 9.4073 14.0362 14.0444 14.2147 14.3795 14.3873 14.5529 16.2439 16.2797 k = 0.5000 0.0000 0.6124 ( 7456 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7792 -31.4921 -31.4918 -31.4918 -31.4917 0.7564 0.8229 4.6422 4.8067 5.3705 5.4387 6.0100 6.0564 6.6717 6.6720 7.1699 7.4791 7.5502 7.8679 8.2639 8.2777 9.1451 9.4073 14.0362 14.0444 14.2147 14.3795 14.3873 14.5529 16.2439 16.2797 k = 0.5000 0.0080 0.6010 ( 7466 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7792 -31.4921 -31.4919 -31.4918 -31.4917 0.7553 0.8218 4.6408 4.8055 5.3706 5.4386 6.0086 6.0636 6.6513 6.6896 7.1717 7.4718 7.5594 7.8706 8.2444 8.2986 9.1467 9.4089 14.0146 14.0437 14.2217 14.3616 14.4147 14.5546 16.2470 16.2870 k = 0.5000 0.0160 0.5897 ( 7470 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4918 -31.4917 0.7522 0.8184 4.6366 4.8019 5.3711 5.4385 6.0070 6.0823 6.6286 6.7040 7.1771 7.4568 7.5797 7.8786 8.2208 8.3265 9.1513 9.4137 13.9756 14.0242 14.2339 14.3501 14.4538 14.5616 16.2575 16.3075 k = 0.5000 0.0241 0.5784 ( 7474 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4918 -31.4917 0.7469 0.8128 4.6297 4.7957 5.3722 5.4388 6.0085 6.1086 6.6047 6.7144 7.1862 7.4413 7.6032 7.8927 8.1982 8.3564 9.1589 9.4218 13.9294 13.9901 14.2341 14.3499 14.4973 14.5798 16.2767 16.3388 k = 0.5000 0.0321 0.5670 ( 7480 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4918 -31.4917 0.7397 0.8051 4.6203 4.7866 5.3743 5.4400 6.0136 6.1403 6.5800 6.7205 7.1989 7.4280 7.6263 7.9131 8.1771 8.3879 9.1696 9.4331 13.8797 13.9476 14.2171 14.3541 14.5412 14.6166 16.3050 16.3789 k = 0.5000 0.0401 0.5557 ( 7474 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4918 -31.4917 0.7306 0.7954 4.6085 4.7745 5.3780 5.4427 6.0222 6.1760 6.5553 6.7226 7.2149 7.4181 7.6472 7.9403 8.1579 8.4214 9.1834 9.4475 13.8282 13.9002 14.1884 14.3517 14.5885 14.6705 16.3418 16.4263 k = 0.5000 0.0481 0.5443 ( 7468 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4918 -31.4917 0.7197 0.7836 4.5945 4.7592 5.3837 5.4473 6.0336 6.2146 6.5309 6.7210 7.2339 7.4119 7.6651 7.9735 8.1413 8.4570 9.2002 9.4651 13.7756 13.8499 14.1531 14.3392 14.6432 14.7350 16.3862 16.4793 k = 0.5000 0.0561 0.5330 ( 7472 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4918 -31.4917 0.7071 0.7701 4.5786 4.7409 5.3916 5.4542 6.0470 6.2550 6.5074 6.7166 7.2550 7.4098 7.6800 8.0095 8.1299 8.4949 9.2200 9.4857 13.7224 13.7973 14.1143 14.3186 14.7048 14.8059 16.4368 16.5360 k = 0.5000 0.0642 0.5217 ( 7462 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4918 -31.4917 0.6929 0.7549 4.5608 4.7196 5.4020 5.4635 6.0615 6.2958 6.4855 6.7103 7.2775 7.4120 7.6922 8.0394 8.1321 8.5352 9.2429 9.5092 13.6686 13.7428 14.0737 14.2926 14.7715 14.8811 16.4917 16.5938 k = 0.5000 0.0722 0.5103 ( 7474 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4918 -31.4917 0.6774 0.7382 4.5415 4.6958 5.4148 5.4752 6.0765 6.3350 6.4664 6.7034 7.3005 7.4188 7.7025 8.0491 8.1612 8.5783 9.2687 9.5357 13.6142 13.6865 14.0327 14.2633 14.8418 14.9595 16.5477 16.6488 k = 0.5000 0.0802 0.4990 ( 7470 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4918 -31.4917 0.6606 0.7201 4.5209 4.6697 5.4297 5.4891 6.0910 6.3682 6.4538 6.6969 7.3233 7.4301 7.7113 8.0435 8.2114 8.6243 9.2975 9.5649 13.5592 13.6284 13.9923 14.2321 14.9142 15.0402 16.5980 16.6938 k = 0.5000 0.0882 0.4876 ( 7476 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4918 -31.4917 0.6428 0.7009 4.4993 4.6419 5.4465 5.5051 6.1045 6.3845 6.4578 6.6920 7.3457 7.4459 7.7191 8.0330 8.2717 8.6734 9.3292 9.5969 13.5036 13.5687 13.9533 14.2001 14.9873 15.1220 16.6224 16.7202 k = 0.5000 0.0962 0.4763 ( 7480 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4918 -31.4917 0.6242 0.6807 4.4769 4.6129 5.4649 5.5228 6.1164 6.3801 6.4812 6.6897 7.3677 7.4654 7.7263 8.0214 8.3379 8.7258 9.3638 9.6315 13.4473 13.5072 13.9161 14.1683 15.0593 15.2036 16.5835 16.7223 k = 0.5000 0.1042 0.4649 ( 7482 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4918 -31.4917 0.6048 0.6597 4.4538 4.5829 5.4846 5.5418 6.1264 6.3679 6.5104 6.6910 7.3901 7.4877 7.7331 8.0099 8.4084 8.7816 9.4012 9.6685 13.3904 13.4443 13.8812 14.1373 15.1276 15.2824 16.4856 16.6723 k = 0.5000 0.1123 0.4536 ( 7490 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4917 -31.4917 0.5849 0.6380 4.4305 4.5525 5.5051 5.5616 6.1345 6.3540 6.5383 6.6964 7.4133 7.5118 7.7398 7.9989 8.4826 8.8410 9.4414 9.7079 13.3327 13.3800 13.8487 14.1076 15.1883 15.3542 16.3665 16.5716 k = 0.5000 0.1203 0.4423 ( 7480 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4917 -31.4917 0.5647 0.6159 4.4071 4.5219 5.5261 5.5818 6.1407 6.3401 6.5631 6.7058 7.4380 7.5369 7.7464 7.9885 8.5600 8.9039 9.4843 9.7494 13.2744 13.3146 13.8188 14.0794 15.2349 15.4115 16.2545 16.4574 k = 0.5000 0.1283 0.4309 ( 7488 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4917 -31.4917 0.5443 0.5936 4.3837 4.4915 5.5473 5.6018 6.1454 6.3267 6.5846 6.7185 7.4643 7.5623 7.7530 7.9789 8.6405 8.9704 9.5298 9.7929 13.2154 13.2483 13.7914 14.0532 15.2579 15.4423 16.1712 16.3546 k = 0.5000 0.1363 0.4196 ( 7484 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4917 -31.4917 0.5240 0.5712 4.3606 4.4614 5.5685 5.6212 6.1492 6.3141 6.6036 6.7331 7.4923 7.5876 7.7597 7.9701 8.7237 9.0403 9.5777 9.8380 13.1558 13.1813 13.7667 14.0290 15.2458 15.4340 16.1340 16.2790 k = 0.5000 0.1443 0.4082 ( 7470 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4917 -31.4917 0.5037 0.5488 4.3380 4.4320 5.5891 5.6395 6.1524 6.3022 6.6208 6.7482 7.5216 7.6125 7.7664 7.9620 8.8097 9.1136 9.6280 9.8847 13.0955 13.1137 13.7446 14.0069 15.1917 15.3844 16.1452 16.2400 k = 0.5000 0.1524 0.3969 ( 7480 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4917 -31.4917 0.4838 0.5267 4.3159 4.4034 5.6090 5.6565 6.1557 6.2913 6.6370 6.7628 7.5521 7.6369 7.7731 7.9547 8.8983 9.1899 9.6805 9.9325 13.0344 13.0455 13.7252 13.9871 15.1009 15.3021 16.1890 16.2371 k = 0.5000 0.1604 0.3856 ( 7476 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4917 -31.4917 0.4643 0.5050 4.2946 4.3757 5.6279 5.6718 6.1595 6.2816 6.6525 6.7762 7.5831 7.6605 7.7798 7.9482 8.9894 9.2690 9.7350 9.9811 12.9723 12.9770 13.7085 13.9694 14.9864 15.1984 16.2382 16.2658 k = 0.5000 0.1684 0.3742 ( 7484 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4917 -31.4917 0.4455 0.4839 4.2742 4.3491 5.6455 5.6852 6.1640 6.2731 6.6675 6.7881 7.6143 7.6832 7.7865 7.9424 9.0828 9.3505 9.7913 10.0303 12.9069 12.9102 13.6945 13.9538 14.8604 15.0824 16.2660 16.3152 k = 0.5000 0.1764 0.3629 ( 7484 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4920 -31.4919 -31.4917 -31.4917 0.4273 0.4633 4.2548 4.3236 5.6616 5.6967 6.1693 6.2659 6.6820 6.7983 7.6452 7.7050 7.7930 7.9373 9.1783 9.4338 9.8491 10.0795 12.8374 12.8457 13.6835 13.9403 14.7309 14.9609 16.2684 16.3468 k = 0.5000 0.1844 0.3515 ( 7478 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4920 -31.4919 -31.4917 -31.4917 0.4100 0.4436 4.2364 4.2995 5.6761 5.7063 6.1756 6.2602 6.6960 6.8068 7.6753 7.7257 7.7994 7.9329 9.2756 9.5185 9.9084 10.1284 12.7669 12.7800 13.6754 13.9287 14.6031 14.8386 16.2305 16.3378 k = 0.5000 0.1925 0.3402 ( 7462 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4920 -31.4919 -31.4917 -31.4917 0.3936 0.4248 4.2193 4.2768 5.6887 5.7140 6.1828 6.2559 6.7095 6.8138 7.7043 7.7452 7.8056 7.9292 9.3742 9.6037 9.9689 10.1765 12.6956 12.7125 13.6705 13.9186 14.4807 14.7187 16.1521 16.2831 k = 0.5000 0.2005 0.3289 ( 7468 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4920 -31.4919 -31.4917 -31.4917 0.3783 0.4070 4.2034 4.2555 5.6996 5.7201 6.1905 6.2530 6.7223 6.8193 7.7318 7.7633 7.8116 7.9261 9.4738 9.6884 10.0305 10.2235 12.6233 12.6429 13.6688 13.9098 14.3664 14.6036 16.0481 16.1929 k = 0.5000 0.2085 0.3175 ( 7470 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7794 -31.7793 -31.4920 -31.4919 -31.4917 -31.4917 0.3641 0.3903 4.1889 4.2357 5.7087 5.7247 6.1988 6.2515 6.7344 6.8235 7.7574 7.7801 7.8172 7.9237 9.5735 9.7715 10.0931 10.2690 12.5501 12.5711 13.6705 13.9015 14.2626 14.4948 15.9330 16.0826 k = 0.5000 0.2165 0.3062 ( 7470 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7794 -31.7793 -31.4920 -31.4919 -31.4917 -31.4917 0.3512 0.3748 4.1757 4.2175 5.7161 5.7282 6.2071 6.2510 6.7457 6.8266 7.7808 7.7955 7.8226 7.9218 9.6723 9.8517 10.1567 10.3127 12.4763 12.4971 13.6755 13.8927 14.1718 14.3936 15.8158 15.9639 k = 0.5000 0.2245 0.2948 ( 7478 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7794 -31.7793 -31.4920 -31.4919 -31.4917 -31.4917 0.3396 0.3606 4.1641 4.2008 5.7219 5.7306 6.2155 6.2515 6.7564 6.8286 7.8009 7.8104 7.8276 7.9204 9.7692 9.9274 10.2210 10.3544 12.4020 12.4213 13.6837 13.8815 14.0963 14.3011 15.7018 15.8442 k = 0.5000 0.2325 0.2835 ( 7476 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7794 -31.7793 -31.4920 -31.4919 -31.4917 -31.4917 0.3293 0.3478 4.1539 4.1858 5.7264 5.7324 6.2235 6.2526 6.7663 6.8296 7.8156 7.8263 7.8325 7.9195 9.8623 9.9971 10.2858 10.3940 12.3282 12.3447 13.6950 13.8656 14.0388 14.2182 15.5948 15.7283 k = 0.5000 0.2406 0.2722 ( 7466 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7794 -31.7793 -31.4920 -31.4919 -31.4917 -31.4916 0.3205 0.3363 4.1453 4.1725 5.7297 5.7335 6.2309 6.2540 6.7755 6.8298 7.8260 7.8355 7.8441 7.9188 9.9497 10.0593 10.3500 10.4318 12.2557 12.2688 13.7086 13.8439 13.9999 14.1455 15.4975 15.6193 k = 0.5000 0.2486 0.2608 ( 7472 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7794 -31.7793 -31.4920 -31.4920 -31.4916 -31.4916 0.3131 0.3264 4.1383 4.1608 5.7321 5.7343 6.2377 6.2557 6.7839 6.8291 7.8338 7.8394 7.8591 7.9182 10.0289 10.1130 10.4120 10.4678 12.1864 12.1958 13.7235 13.8192 13.9760 14.0840 15.4123 15.5198 k = 0.5000 0.2566 0.2495 ( 7470 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7794 -31.7793 -31.4920 -31.4920 -31.4916 -31.4916 0.3073 0.3179 4.1329 4.1508 5.7337 5.7348 6.2436 6.2571 6.7915 6.8277 7.8397 7.8425 7.8725 7.9175 10.0973 10.1575 10.4692 10.5021 12.1223 12.1287 13.7382 13.7963 13.9608 14.0347 15.3414 15.4319 k = 0.5000 0.2646 0.2381 ( 7470 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7794 -31.7793 -31.4920 -31.4920 -31.4916 -31.4916 0.3030 0.3110 4.1292 4.1426 5.7346 5.7351 6.2486 6.2582 6.7985 6.8256 7.8438 7.8450 7.8839 7.9163 10.1524 10.1923 10.5184 10.5340 12.0664 12.0710 13.7506 13.7788 13.9499 13.9982 15.2868 15.3578 k = 0.5000 0.2726 0.2268 ( 7476 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7794 -31.7793 -31.4920 -31.4920 -31.4916 -31.4916 0.3003 0.3056 4.1271 4.1360 5.7352 5.7354 6.2526 6.2588 6.8047 6.8228 7.8465 7.8469 7.8934 7.9144 10.1930 10.2166 10.5562 10.5612 12.0226 12.0261 13.7585 13.7678 13.9426 13.9735 15.2503 15.2993 k = 0.5000 0.2807 0.2155 ( 7476 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7794 -31.7794 -31.4920 -31.4920 -31.4916 -31.4916 0.2992 0.3019 4.1268 4.1312 5.7355 5.7355 6.2556 6.2586 6.8103 6.8193 7.8480 7.8481 7.9010 7.9113 10.2188 10.2297 10.5796 10.5803 11.9949 11.9969 13.7615 13.7628 13.9411 13.9572 15.2331 15.2582 k = 0.5000 0.2887 0.2041 ( 7456 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7794 -31.7794 -31.4920 -31.4920 -31.4916 -31.4916 0.2997 0.2997 4.1282 4.1282 5.7355 5.7355 6.2576 6.2576 6.8151 6.8151 7.8485 7.8485 7.9069 7.9069 10.2307 10.2307 10.5874 10.5874 11.9861 11.9861 13.7617 13.7617 13.9463 13.9463 15.2358 15.2358 k = 0.5000 0.2887 0.2041 ( 7456 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7794 -31.7794 -31.4920 -31.4920 -31.4916 -31.4916 0.2997 0.2997 4.1282 4.1282 5.7355 5.7355 6.2576 6.2576 6.8151 6.8151 7.8485 7.8485 7.9069 7.9069 10.2307 10.2307 10.5874 10.5874 11.9861 11.9861 13.7617 13.7617 13.9463 13.9463 15.2358 15.2358 k = 0.4960 0.2863 0.2173 ( 7477 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7794 -31.7794 -31.4920 -31.4920 -31.4916 -31.4916 0.2992 0.3019 4.1268 4.1313 5.7355 5.7355 6.2556 6.2586 6.8102 6.8193 7.8480 7.8481 7.9010 7.9114 10.2187 10.2296 10.5796 10.5801 11.9950 11.9970 13.7620 13.7623 13.9411 13.9572 15.2332 15.2583 k = 0.4919 0.2840 0.2305 ( 7477 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7794 -31.7793 -31.4920 -31.4920 -31.4916 -31.4916 0.3003 0.3057 4.1272 4.1361 5.7352 5.7353 6.2526 6.2588 6.8047 6.8228 7.8465 7.8469 7.8933 7.9144 10.1926 10.2163 10.5565 10.5601 12.0231 12.0265 13.7619 13.7643 13.9435 13.9731 15.2506 15.2999 k = 0.4879 0.2817 0.2436 ( 7479 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7794 -31.7793 -31.4920 -31.4920 -31.4916 -31.4916 0.3031 0.3111 4.1292 4.1427 5.7347 5.7351 6.2485 6.2582 6.7984 6.8257 7.8436 7.8451 7.8837 7.9164 10.1519 10.1913 10.5200 10.5312 12.0678 12.0714 13.7603 13.7677 13.9558 13.9944 15.2876 15.3589 k = 0.4839 0.2794 0.2568 ( 7472 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7794 -31.7793 -31.4920 -31.4920 -31.4916 -31.4916 0.3074 0.3181 4.1330 4.1510 5.7338 5.7347 6.2435 6.2571 6.7914 6.8278 7.8393 7.8427 7.8722 7.9175 10.0968 10.1552 10.4732 10.4967 12.1254 12.1281 13.7572 13.7725 13.9796 14.0224 15.3430 15.4337 k = 0.4798 0.2770 0.2700 ( 7470 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7794 -31.7793 -31.4920 -31.4920 -31.4916 -31.4916 0.3133 0.3266 4.1385 4.1611 5.7323 5.7340 6.2375 6.2556 6.7836 6.8291 7.8331 7.8398 7.8587 7.9183 10.0288 10.1083 10.4196 10.4592 12.1919 12.1928 13.7540 13.7791 14.0147 14.0581 15.4151 15.5223 k = 0.4758 0.2747 0.2831 ( 7476 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7794 -31.7793 -31.4920 -31.4919 -31.4917 -31.4917 0.3207 0.3367 4.1456 4.1729 5.7301 5.7330 6.2306 6.2540 6.7752 6.8298 7.8250 7.8361 7.8436 7.9188 9.9500 10.0514 10.3622 10.4196 12.2622 12.2633 13.7529 13.7886 14.0603 14.1022 15.5019 15.6225 k = 0.4718 0.2724 0.2963 ( 7474 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7794 -31.7793 -31.4920 -31.4919 -31.4917 -31.4917 0.3297 0.3483 4.1543 4.1864 5.7270 5.7316 6.2231 6.2525 6.7660 6.8296 7.8147 7.8243 7.8343 7.9194 9.8632 9.9856 10.3028 10.3784 12.3330 12.3363 13.7563 13.8027 14.1155 14.1548 15.6015 15.7322 k = 0.4677 0.2701 0.3095 ( 7476 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7794 -31.7793 -31.4920 -31.4919 -31.4917 -31.4917 0.3401 0.3612 4.1645 4.2015 5.7227 5.7295 6.2149 6.2515 6.7561 6.8285 7.8022 7.8049 7.8302 7.9203 9.7710 9.9128 10.2427 10.3355 12.4026 12.4077 13.7663 13.8231 14.1794 14.2155 15.7115 15.8486 k = 0.4637 0.2677 0.3226 ( 7478 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7794 -31.7793 -31.4920 -31.4919 -31.4917 -31.4917 0.3518 0.3756 4.1763 4.2183 5.7172 5.7266 6.2064 6.2512 6.7454 6.8264 7.7833 7.7876 7.8263 7.9216 9.6755 9.8347 10.1821 10.2907 12.4687 12.4750 13.7846 13.8517 14.2511 14.2838 15.8293 15.9684 k = 0.4597 0.2654 0.3358 ( 7482 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7794 -31.7793 -31.4920 -31.4919 -31.4917 -31.4917 0.3649 0.3912 4.1895 4.2366 5.7101 5.7225 6.1978 6.2518 6.7341 6.8232 7.7597 7.7708 7.8224 7.9234 9.5785 9.7534 10.1210 10.2441 12.5294 12.5362 13.8126 13.8900 14.3301 14.3593 15.9515 16.0862 k = 0.4556 0.2631 0.3490 ( 7482 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4920 -31.4919 -31.4917 -31.4917 0.3792 0.4080 4.2041 4.2565 5.7014 5.7172 6.1892 6.2536 6.7222 6.8189 7.7344 7.7520 7.8186 7.9256 9.4815 9.6704 10.0593 10.1957 12.5833 12.5899 13.8512 13.9389 14.4156 14.4412 16.0727 16.1936 k = 0.4516 0.2607 0.3622 ( 7478 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4920 -31.4919 -31.4917 -31.4917 0.3947 0.4260 4.2199 4.2779 5.6910 5.7102 6.1810 6.2569 6.7097 6.8132 7.7076 7.7315 7.8148 7.9283 9.3857 9.5872 9.9970 10.1457 12.6295 12.6353 13.9005 13.9988 14.5070 14.5291 16.1829 16.2765 k = 0.4476 0.2584 0.3753 ( 7478 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4920 -31.4919 -31.4917 -31.4917 0.4112 0.4449 4.2369 4.3006 5.6788 5.7015 6.1733 6.2617 6.6967 6.8061 7.6796 7.7095 7.8113 7.9316 9.2920 9.5049 9.9341 10.0942 12.6678 12.6725 13.9603 14.0691 14.6039 14.6223 16.2638 16.3175 k = 0.4435 0.2561 0.3885 ( 7477 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4920 -31.4919 -31.4917 -31.4917 0.4287 0.4647 4.2549 4.3245 5.6649 5.6908 6.1664 6.2682 6.6833 6.7974 7.6507 7.6861 7.8079 7.9353 9.2010 9.4245 9.8706 10.0416 12.6986 12.7017 14.0293 14.1487 14.7057 14.7201 16.2915 16.3089 k = 0.4395 0.2538 0.4017 ( 7483 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4917 -31.4917 0.4469 0.4853 4.2738 4.3495 5.6495 5.6781 6.1603 6.2762 6.6698 6.7869 7.6213 7.6616 7.8049 7.9395 9.1134 9.3465 9.8067 9.9879 12.7224 12.7240 14.1058 14.2360 14.8118 14.8220 16.2614 16.2617 k = 0.4355 0.2514 0.4148 ( 7486 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4917 -31.4917 0.4659 0.5065 4.2934 4.3753 5.6327 5.6634 6.1553 6.2859 6.6562 6.7747 7.5918 7.6365 7.8021 7.9442 9.0296 9.2717 9.7425 9.9334 12.7402 12.7403 14.1878 14.3286 14.9216 14.9273 16.1938 16.1959 k = 0.4315 0.2491 0.4280 ( 7480 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4917 -31.4917 0.4854 0.5282 4.3134 4.4019 5.6148 5.6469 6.1511 6.2969 6.6427 6.7607 7.5628 7.6109 7.7998 7.9492 8.9498 9.2004 9.6781 9.8784 12.7516 12.7531 14.2726 14.4240 15.0344 15.0351 16.1175 16.1189 k = 0.4274 0.2468 0.4412 ( 7482 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4917 -31.4917 0.5054 0.5502 4.3335 4.4287 5.5963 5.6288 6.1479 6.3093 6.6297 6.7448 7.5348 7.5853 7.7979 7.9545 8.8743 9.1329 9.6137 9.8230 12.7588 12.7619 14.3570 14.5185 15.1445 15.1493 16.0400 16.0460 k = 0.4234 0.2444 0.4543 ( 7480 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4917 -31.4917 0.5255 0.5723 4.3535 4.4556 5.5776 5.6095 6.1454 6.3226 6.6172 6.7273 7.5082 7.5598 7.7963 7.9600 8.8031 9.0694 9.5496 9.7675 12.7628 12.7673 14.4374 14.6078 15.2542 15.2651 15.9728 15.9821 k = 0.4194 0.2421 0.4675 ( 7489 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4917 -31.4917 0.5458 0.5943 4.3730 4.4820 5.5592 5.5898 6.1434 6.3367 6.6056 6.7085 7.4834 7.5349 7.7951 7.9657 8.7364 9.0102 9.4858 9.7121 12.7642 12.7702 14.5092 14.6858 15.3626 15.3802 15.9244 15.9338 k = 0.4153 0.2398 0.4807 ( 7485 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4917 -31.4917 0.5659 0.6161 4.3916 4.5074 5.5418 5.5704 6.1419 6.3511 6.5950 6.6887 7.4608 7.5107 7.7942 7.9713 8.6741 8.9554 9.4225 9.6570 12.7635 12.7710 14.5676 14.7455 15.4685 15.4919 15.9032 15.9084 k = 0.4113 0.2375 0.4938 ( 7475 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4917 -31.4917 0.5857 0.6375 4.4087 4.5311 5.5260 5.5522 6.1405 6.3653 6.5858 6.6685 7.4408 7.4876 7.7934 7.9767 8.6163 8.9052 9.3599 9.6023 12.7611 12.7701 14.6077 14.7801 15.5712 15.5961 15.9136 15.9156 k = 0.4073 0.2351 0.5070 ( 7469 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4917 -31.4917 0.6050 0.6581 4.4240 4.5524 5.5125 5.5363 6.1393 6.3787 6.5778 6.6488 7.4233 7.4656 7.7927 7.9818 8.5630 8.8597 9.2983 9.5482 12.7574 12.7679 14.6262 14.7863 15.6729 15.6894 15.9548 15.9612 k = 0.4032 0.2328 0.5202 ( 7475 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4917 -31.4917 0.6235 0.6779 4.4369 4.5704 5.5020 5.5238 6.1382 6.3907 6.5713 6.6306 7.4087 7.4451 7.7919 7.9864 8.5143 8.8190 9.2377 9.4949 12.7525 12.7647 14.6228 14.7661 15.7738 15.7777 16.0287 16.0321 k = 0.3992 0.2305 0.5334 ( 7474 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4918 -31.4917 0.6411 0.6964 4.4469 4.5845 5.4952 5.5160 6.1371 6.4002 6.5663 6.6151 7.3968 7.4260 7.7907 7.9902 8.4703 8.7833 9.1783 9.4426 12.7468 12.7605 14.5998 14.7253 15.8565 15.8883 16.1174 16.1231 k = 0.3952 0.2281 0.5465 ( 7472 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4918 -31.4917 0.6575 0.7136 4.4539 4.5939 5.4928 5.5139 6.1361 6.4063 6.5625 6.6035 7.3876 7.4085 7.7889 7.9930 8.4313 8.7527 9.1203 9.3915 12.7402 12.7556 14.5614 14.6704 15.9426 16.0044 16.2080 16.2262 k = 0.3911 0.2258 0.5597 ( 7472 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4918 -31.4917 0.6725 0.7291 4.4574 4.5982 5.4951 5.5183 6.1355 6.4083 6.5599 6.5969 7.3809 7.3925 7.7864 7.9948 8.3973 8.7275 9.0640 9.3416 12.7329 12.7501 14.5119 14.6067 16.0320 16.1237 16.2975 16.3306 k = 0.3871 0.2235 0.5729 ( 7473 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4918 -31.4917 0.6858 0.7427 4.4575 4.5971 5.5025 5.5297 6.1354 6.4062 6.5582 6.5955 7.3765 7.3780 7.7831 7.9954 8.3686 8.7077 9.0095 9.2934 12.7249 12.7439 14.4548 14.5378 16.1220 16.2429 16.3815 16.4314 k = 0.3831 0.2212 0.5860 ( 7477 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4918 -31.4917 0.6972 0.7541 4.4545 4.5910 5.5149 5.5482 6.1363 6.4010 6.5572 6.5987 7.3650 7.3742 7.7788 7.9948 8.3453 8.6934 8.9571 9.2469 12.7164 12.7373 14.3930 14.4664 16.2091 16.3575 16.4578 16.5253 k = 0.3790 0.2188 0.5992 ( 7479 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4918 -31.4917 0.7065 0.7631 4.4486 4.5805 5.5320 5.5733 6.1383 6.3941 6.5566 6.6055 7.3532 7.3735 7.7738 7.9931 8.3275 8.6846 8.9070 9.2023 12.7072 12.7301 14.3285 14.3940 16.2897 16.4591 16.5287 16.6099 k = 0.3750 0.2165 0.6124 ( 7474 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4918 -31.4917 0.7135 0.7695 4.4404 4.5664 5.5535 5.6043 6.1419 6.3867 6.5563 6.6147 7.3425 7.3740 7.7684 7.9905 8.3152 8.6810 8.8595 9.1601 12.6974 12.7224 14.2628 14.3217 16.3608 16.5326 16.6047 16.6834 k = 0.6250-0.0722 0.4082 ( 7474 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4918 -31.4917 0.7135 0.7695 4.4404 4.5664 5.5535 5.6043 6.1419 6.3867 6.5563 6.6147 7.3425 7.3740 7.7684 7.9905 8.3152 8.6810 8.8595 9.1601 12.6974 12.7224 14.2628 14.3217 16.3608 16.5326 16.6047 16.6834 k = 0.6181-0.0842 0.4082 ( 7476 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4918 -31.4917 0.7226 0.7773 4.4237 4.5387 5.5963 5.6647 6.1509 6.3746 6.5563 6.6336 7.3250 7.3754 7.7601 7.9868 8.2974 8.6775 8.7813 9.0905 12.6790 12.7078 14.1493 14.1993 16.4747 16.6305 16.7457 16.8025 k = 0.6111-0.0962 0.4082 ( 7472 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4918 -31.4918 0.7303 0.7834 4.4056 4.5100 5.6436 5.7286 6.1623 6.3631 6.5572 6.6550 7.3076 7.3769 7.7539 7.9855 8.2768 8.6694 8.7061 9.0233 12.6584 12.6910 14.0379 14.0809 16.5908 16.7311 16.8908 16.9274 k = 0.6042-0.1083 0.4082 ( 7466 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4918 -31.4918 0.7369 0.7881 4.3864 4.4808 5.6944 5.7941 6.1773 6.3527 6.5589 6.6786 7.2907 7.3782 7.7501 7.9865 8.2529 8.6246 8.6659 8.9586 12.6354 12.6719 13.9303 13.9680 16.7087 16.8349 17.0391 17.0576 k = 0.5972-0.1203 0.4082 ( 7464 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4918 -31.4918 0.7425 0.7914 4.3668 4.4517 5.7474 5.8586 6.1978 6.3437 6.5611 6.7043 7.2747 7.3795 7.7490 7.9896 8.2255 8.5521 8.6514 8.8963 12.6098 12.6500 13.8281 13.8620 16.8282 16.9418 17.1899 17.1923 k = 0.5903-0.1323 0.4082 ( 7464 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4921 -31.4919 -31.4918 -31.4918 0.7472 0.7937 4.3470 4.4232 5.8015 5.9184 6.2265 6.3363 6.5635 6.7318 7.2599 7.3809 7.7509 7.9945 8.1943 8.4799 8.6344 8.8366 12.5815 12.6252 13.7329 13.7639 16.9494 17.0519 17.3309 17.3424 k = 0.5833-0.1443 0.4082 ( 7472 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4920 -31.4919 -31.4918 -31.4918 0.7511 0.7949 4.3276 4.3957 5.8554 5.9698 6.2662 6.3308 6.5658 6.7611 7.2467 7.3825 7.7560 8.0010 8.1590 8.4092 8.6139 8.7792 12.5508 12.5974 13.6457 13.6747 17.0723 17.1651 17.4724 17.4959 k = 0.5764-0.1564 0.4082 ( 7450 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4920 -31.4919 -31.4918 -31.4918 0.7544 0.7953 4.3088 4.3693 5.9076 6.0104 6.3185 6.3275 6.5681 6.7919 7.2356 7.3848 7.7643 8.0088 8.1198 8.3403 8.5895 8.7243 12.5178 12.5666 13.5673 13.5948 17.1969 17.2813 17.6157 17.6494 k = 0.5694-0.1684 0.4082 ( 7450 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4920 -31.4919 -31.4918 -31.4918 0.7572 0.7949 4.2910 4.3445 5.9567 6.0405 6.3271 6.3820 6.5702 6.8239 7.2269 7.3883 7.7758 8.0173 8.0766 8.2737 8.5612 8.6716 12.4833 12.5331 13.4983 13.5243 17.3232 17.4002 17.7598 17.8019 k = 0.5625-0.1804 0.4082 ( 7462 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4920 -31.4919 -31.4918 -31.4918 0.7595 0.7940 4.2745 4.3214 6.0013 6.0624 6.3299 6.4521 6.5731 6.8564 7.2211 7.3935 7.7905 8.0254 8.0299 8.2105 8.5292 8.6212 12.4479 12.4977 13.4386 13.4632 17.4512 17.5216 17.9032 17.9514 k = 0.5556-0.1925 0.4082 ( 7458 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4920 -31.4919 -31.4918 -31.4918 0.7616 0.7926 4.2593 4.3001 6.0398 6.0787 6.3367 6.5181 6.5839 6.8889 7.2187 7.4013 7.8079 7.9802 8.0297 8.1540 8.4937 8.5728 12.4127 12.4611 13.3881 13.4110 17.5806 17.6450 18.0442 18.0957 k = 0.5486-0.2045 0.4082 ( 7462 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7793 -31.4920 -31.4919 -31.4918 -31.4918 0.7635 0.7909 4.2459 4.2808 6.0712 6.0914 6.3477 6.5473 6.6315 6.9200 7.2205 7.4125 7.8254 7.9303 8.0186 8.1156 8.4551 8.5266 12.3788 12.4245 13.3462 13.3671 17.7109 17.7699 18.1806 18.2315 k = 0.5417-0.2165 0.4082 ( 7462 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7795 -31.7794 -31.4920 -31.4919 -31.4918 -31.4918 0.7652 0.7889 4.2342 4.2637 6.0951 6.1014 6.3630 6.5493 6.7035 6.9485 7.2273 7.4281 7.8277 7.8960 7.9803 8.1069 8.4139 8.4825 12.3474 12.3891 13.3122 13.3307 17.8415 17.8953 18.3095 18.3550 k = 0.5347-0.2285 0.4082 ( 7466 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7794 -31.7794 -31.4920 -31.4919 -31.4918 -31.4918 0.7668 0.7868 4.2244 4.2486 6.1097 6.1122 6.3816 6.5448 6.7762 6.9728 7.2406 7.4489 7.7867 7.9058 7.9277 8.1148 8.3713 8.4405 12.3195 12.3561 13.2853 13.3012 17.9709 18.0195 18.4279 18.4631 k = 0.5278-0.2406 0.4082 ( 7456 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7794 -31.7794 -31.4920 -31.4919 -31.4918 -31.4918 0.7685 0.7846 4.2167 4.2359 6.1167 6.1234 6.4023 6.5372 6.8429 6.9918 7.2620 7.4749 7.7282 7.8715 7.9347 8.1274 8.3289 8.4010 12.2962 12.3267 13.2647 13.2777 18.0968 18.1399 18.5329 18.5554 k = 0.5208-0.2526 0.4082 ( 7460 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7794 -31.7794 -31.4920 -31.4919 -31.4918 -31.4918 0.7702 0.7823 4.2112 4.2254 6.1224 6.1300 6.4238 6.5271 6.8998 7.0044 7.2935 7.5045 7.6671 7.8152 7.9697 8.1385 8.2905 8.3639 12.2783 12.3018 13.2498 13.2596 18.2150 18.2513 18.6235 18.6346 k = 0.5139-0.2646 0.4082 ( 7470 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7794 -31.7794 -31.4920 -31.4919 -31.4918 -31.4918 0.7720 0.7801 4.2078 4.2172 6.1271 6.1334 6.4450 6.5147 6.9446 7.0099 7.3357 7.5274 7.6165 7.7601 8.0081 8.1398 8.2641 8.3299 12.2662 12.2822 13.2400 13.2466 18.3176 18.3447 18.7026 18.7070 k = 0.5069-0.2766 0.4082 ( 7488 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7794 -31.7794 -31.4920 -31.4919 -31.4918 -31.4918 0.7739 0.7779 4.2067 4.2114 6.1308 6.1342 6.4651 6.5002 6.9766 7.0078 7.3877 7.5026 7.6184 7.7072 8.0483 8.1216 8.2599 8.2996 12.2605 12.2686 13.2349 13.2383 18.3920 18.4067 18.7764 18.7788 k = 0.5000-0.2887 0.4082 ( 7488 PWs) bands (ev): -64.8216 -64.8216 -35.9412 -35.9412 -31.7794 -31.7794 -31.4919 -31.4919 -31.4918 -31.4918 0.7758 0.7758 4.2079 4.2079 6.1332 6.1332 6.4835 6.4835 6.9971 6.9971 7.4459 7.4459 7.6582 7.6582 8.0879 8.0879 8.2748 8.2748 12.2613 12.2613 13.2344 13.2344 18.4239 18.4239 18.8292 18.8292 Writing output data file LiMgSbPt.save init_run : 1.05s CPU 0.62s WALL ( 1 calls) electrons : 295.94s CPU 186.75s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.04s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 295.93s CPU 186.73s 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 : 0.20s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.45s CPU 0.62s WALL ( 334 calls) cegterg : 257.33s CPU 163.89s WALL ( 387 calls) Called by sum_band: Called by *egterg: h_psi : 211.71s CPU 123.65s WALL ( 6432 calls) s_psi : 6.87s CPU 4.27s WALL ( 6432 calls) g_psi : 0.55s CPU 0.30s WALL ( 5711 calls) cdiaghg : 45.08s CPU 34.78s WALL ( 6045 calls) cegterg:over : 9.30s CPU 6.34s WALL ( 5711 calls) cegterg:upda : 8.48s CPU 6.39s WALL ( 5711 calls) cegterg:last : 3.99s CPU 3.09s WALL ( 1270 calls) cdiaghg:chol : 2.65s CPU 2.07s WALL ( 6045 calls) cdiaghg:inve : 1.36s CPU 1.03s WALL ( 6045 calls) cdiaghg:para : 2.58s CPU 1.95s WALL ( 12090 calls) Called by h_psi: h_psi:vloc : 196.98s CPU 114.19s WALL ( 6432 calls) h_psi:vnl : 14.30s CPU 9.19s WALL ( 6432 calls) add_vuspsi : 7.56s CPU 4.86s WALL ( 6432 calls) General routines calbec : 6.70s CPU 4.30s WALL ( 6432 calls) fft : 0.06s CPU 0.03s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 186.95s CPU 107.71s WALL ( 566920 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.42s CPU 1.08s WALL ( 668 calls) Parallel routines fft_scatter : 65.90s CPU 42.26s WALL ( 566943 calls) PWSCF : 5m14.48s CPU 3m41.19s WALL This run was terminated on: 4:17:34 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=