Program PWSCF v.5.4.0 starts on 12Feb2017 at 4:40:29 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: ./ScSbPt.save/ file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized file Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 3P 3P 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 27 8 1792 570 91 Max 59 28 9 1797 585 93 Sum 2107 1003 295 64623 20827 3287 bravais-lattice index = 14 lattice parameter (alat) = 8.4343 a.u. unit-cell volume = 424.2653 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 3 number of electrons = 26.00 number of Kohn-Sham states= 34 kinetic-energy cutoff = 51.0000 Ry charge density cutoff = 433.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.434335 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 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. # 2 for Sc read from file: /users/gautes/Pseudo/Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: e27f768e72ba10e20459589e24f2b6a7 Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1173 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 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 Sb 5.00 121.76000 Sb( 1.00) Sc 11.00 44.95590 Sc( 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 0.3113208 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 0.5377359), 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 0.4386793), 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 0.1132076 0.2264151), wk = 0.0029940 k( 135) = ( 0.1061321 0.1061321 0.2122642), 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 0.1132076), 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 0.0454546), 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 0.0795455 0.0795455), 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 0.2045455 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 0.2954546 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 0.3295455), 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 0.4545455 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 0.4758065 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 0.5725806), 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 0.3225807 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 0.2741936 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 0.5241936), 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 0.5725807), 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 0.3991936 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: 64623 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 20827 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.09 Mb ( 164, 34) NL pseudopotentials 0.13 Mb ( 82, 102) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1794) G-vector shells 0.00 Mb ( 469) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.34 Mb ( 164, 136) Each subspace H/S matrix 0.02 Mb ( 34, 34) Each matrix 0.11 Mb ( 102, 2, 34) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./ScSbPt.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 3.7 secs Computing kpt #: 2 total cpu time spent up to now is 4.1 secs Computing kpt #: 3 total cpu time spent up to now is 4.7 secs Computing kpt #: 4 total cpu time spent up to now is 5.2 secs Computing kpt #: 5 total cpu time spent up to now is 5.6 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 6.5 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 8.0 secs Computing kpt #: 11 total cpu time spent up to now is 8.5 secs Computing kpt #: 12 total cpu time spent up to now is 8.9 secs Computing kpt #: 13 total cpu time spent up to now is 9.4 secs Computing kpt #: 14 total cpu time spent up to now is 9.9 secs Computing kpt #: 15 total cpu time spent up to now is 10.3 secs Computing kpt #: 16 total cpu time spent up to now is 10.8 secs Computing kpt #: 17 total cpu time spent up to now is 11.3 secs Computing kpt #: 18 total cpu time spent up to now is 11.7 secs Computing kpt #: 19 total cpu time spent up to now is 12.1 secs Computing kpt #: 20 total cpu time spent up to now is 12.5 secs Computing kpt #: 21 total cpu time spent up to now is 13.0 secs Computing kpt #: 22 total cpu time spent up to now is 13.4 secs Computing kpt #: 23 total cpu time spent up to now is 13.9 secs Computing kpt #: 24 total cpu time spent up to now is 14.3 secs Computing kpt #: 25 total cpu time spent up to now is 14.7 secs Computing kpt #: 26 total cpu time spent up to now is 15.3 secs Computing kpt #: 27 total cpu time spent up to now is 15.7 secs Computing kpt #: 28 total cpu time spent up to now is 16.1 secs Computing kpt #: 29 total cpu time spent up to now is 16.6 secs Computing kpt #: 30 total cpu time spent up to now is 17.0 secs Computing kpt #: 31 total cpu time spent up to now is 17.5 secs Computing kpt #: 32 total cpu time spent up to now is 17.9 secs Computing kpt #: 33 total cpu time spent up to now is 18.4 secs Computing kpt #: 34 total cpu time spent up to now is 18.8 secs Computing kpt #: 35 total cpu time spent up to now is 19.2 secs Computing kpt #: 36 total cpu time spent up to now is 19.7 secs Computing kpt #: 37 total cpu time spent up to now is 20.1 secs Computing kpt #: 38 total cpu time spent up to now is 20.6 secs Computing kpt #: 39 total cpu time spent up to now is 21.1 secs Computing kpt #: 40 total cpu time spent up to now is 21.5 secs Computing kpt #: 41 total cpu time spent up to now is 22.1 secs Computing kpt #: 42 total cpu time spent up to now is 22.6 secs Computing kpt #: 43 total cpu time spent up to now is 23.1 secs Computing kpt #: 44 total cpu time spent up to now is 23.6 secs Computing kpt #: 45 total cpu time spent up to now is 24.1 secs Computing kpt #: 46 total cpu time spent up to now is 24.6 secs Computing kpt #: 47 total cpu time spent up to now is 25.1 secs Computing kpt #: 48 total cpu time spent up to now is 25.5 secs Computing kpt #: 49 total cpu time spent up to now is 26.0 secs Computing kpt #: 50 total cpu time spent up to now is 26.5 secs Computing kpt #: 51 total cpu time spent up to now is 26.9 secs Computing kpt #: 52 total cpu time spent up to now is 27.5 secs Computing kpt #: 53 total cpu time spent up to now is 27.9 secs Computing kpt #: 54 total cpu time spent up to now is 28.3 secs Computing kpt #: 55 total cpu time spent up to now is 28.8 secs Computing kpt #: 56 total cpu time spent up to now is 29.2 secs Computing kpt #: 57 total cpu time spent up to now is 29.6 secs Computing kpt #: 58 total cpu time spent up to now is 30.0 secs Computing kpt #: 59 total cpu time spent up to now is 30.5 secs Computing kpt #: 60 total cpu time spent up to now is 30.9 secs Computing kpt #: 61 total cpu time spent up to now is 31.3 secs Computing kpt #: 62 total cpu time spent up to now is 31.7 secs Computing kpt #: 63 total cpu time spent up to now is 32.2 secs Computing kpt #: 64 total cpu time spent up to now is 32.7 secs Computing kpt #: 65 total cpu time spent up to now is 33.1 secs Computing kpt #: 66 total cpu time spent up to now is 33.5 secs Computing kpt #: 67 total cpu time spent up to now is 33.9 secs Computing kpt #: 68 total cpu time spent up to now is 34.4 secs Computing kpt #: 69 total cpu time spent up to now is 34.8 secs Computing kpt #: 70 total cpu time spent up to now is 35.2 secs Computing kpt #: 71 total cpu time spent up to now is 35.6 secs Computing kpt #: 72 total cpu time spent up to now is 36.1 secs Computing kpt #: 73 total cpu time spent up to now is 36.5 secs Computing kpt #: 74 total cpu time spent up to now is 36.9 secs Computing kpt #: 75 total cpu time spent up to now is 37.3 secs Computing kpt #: 76 total cpu time spent up to now is 37.7 secs Computing kpt #: 77 total cpu time spent up to now is 38.2 secs Computing kpt #: 78 total cpu time spent up to now is 38.6 secs Computing kpt #: 79 total cpu time spent up to now is 39.0 secs Computing kpt #: 80 total cpu time spent up to now is 39.5 secs Computing kpt #: 81 total cpu time spent up to now is 39.9 secs Computing kpt #: 82 total cpu time spent up to now is 40.3 secs Computing kpt #: 83 total cpu time spent up to now is 40.8 secs Computing kpt #: 84 total cpu time spent up to now is 41.3 secs Computing kpt #: 85 total cpu time spent up to now is 41.7 secs Computing kpt #: 86 total cpu time spent up to now is 42.1 secs Computing kpt #: 87 total cpu time spent up to now is 42.5 secs Computing kpt #: 88 total cpu time spent up to now is 43.0 secs Computing kpt #: 89 total cpu time spent up to now is 43.4 secs Computing kpt #: 90 total cpu time spent up to now is 43.9 secs Computing kpt #: 91 total cpu time spent up to now is 44.4 secs Computing kpt #: 92 total cpu time spent up to now is 44.9 secs Computing kpt #: 93 total cpu time spent up to now is 45.4 secs Computing kpt #: 94 total cpu time spent up to now is 45.9 secs Computing kpt #: 95 total cpu time spent up to now is 46.4 secs Computing kpt #: 96 total cpu time spent up to now is 46.9 secs Computing kpt #: 97 total cpu time spent up to now is 47.3 secs Computing kpt #: 98 total cpu time spent up to now is 47.9 secs Computing kpt #: 99 total cpu time spent up to now is 48.4 secs Computing kpt #: 100 total cpu time spent up to now is 48.9 secs Computing kpt #: 101 total cpu time spent up to now is 49.4 secs Computing kpt #: 102 total cpu time spent up to now is 49.9 secs Computing kpt #: 103 total cpu time spent up to now is 50.3 secs Computing kpt #: 104 total cpu time spent up to now is 50.8 secs Computing kpt #: 105 total cpu time spent up to now is 51.3 secs Computing kpt #: 106 total cpu time spent up to now is 51.7 secs Computing kpt #: 107 total cpu time spent up to now is 52.1 secs Computing kpt #: 108 total cpu time spent up to now is 52.5 secs Computing kpt #: 109 total cpu time spent up to now is 52.9 secs Computing kpt #: 110 total cpu time spent up to now is 53.3 secs Computing kpt #: 111 total cpu time spent up to now is 53.8 secs Computing kpt #: 112 total cpu time spent up to now is 54.2 secs Computing kpt #: 113 total cpu time spent up to now is 54.6 secs Computing kpt #: 114 total cpu time spent up to now is 55.1 secs Computing kpt #: 115 total cpu time spent up to now is 55.5 secs Computing kpt #: 116 total cpu time spent up to now is 55.9 secs Computing kpt #: 117 total cpu time spent up to now is 56.4 secs Computing kpt #: 118 total cpu time spent up to now is 56.8 secs Computing kpt #: 119 total cpu time spent up to now is 57.3 secs Computing kpt #: 120 total cpu time spent up to now is 57.7 secs Computing kpt #: 121 total cpu time spent up to now is 58.1 secs Computing kpt #: 122 total cpu time spent up to now is 58.5 secs Computing kpt #: 123 total cpu time spent up to now is 58.9 secs Computing kpt #: 124 total cpu time spent up to now is 59.4 secs Computing kpt #: 125 total cpu time spent up to now is 59.8 secs Computing kpt #: 126 total cpu time spent up to now is 60.3 secs Computing kpt #: 127 total cpu time spent up to now is 60.7 secs Computing kpt #: 128 total cpu time spent up to now is 61.1 secs Computing kpt #: 129 total cpu time spent up to now is 61.5 secs Computing kpt #: 130 total cpu time spent up to now is 61.9 secs Computing kpt #: 131 total cpu time spent up to now is 62.3 secs Computing kpt #: 132 total cpu time spent up to now is 62.8 secs Computing kpt #: 133 total cpu time spent up to now is 63.2 secs Computing kpt #: 134 total cpu time spent up to now is 63.7 secs Computing kpt #: 135 total cpu time spent up to now is 64.1 secs Computing kpt #: 136 total cpu time spent up to now is 64.5 secs Computing kpt #: 137 total cpu time spent up to now is 64.9 secs Computing kpt #: 138 total cpu time spent up to now is 65.3 secs Computing kpt #: 139 total cpu time spent up to now is 65.7 secs Computing kpt #: 140 total cpu time spent up to now is 66.2 secs Computing kpt #: 141 total cpu time spent up to now is 66.7 secs Computing kpt #: 142 total cpu time spent up to now is 67.1 secs Computing kpt #: 143 total cpu time spent up to now is 67.6 secs Computing kpt #: 144 total cpu time spent up to now is 68.1 secs Computing kpt #: 145 total cpu time spent up to now is 68.6 secs Computing kpt #: 146 total cpu time spent up to now is 69.1 secs Computing kpt #: 147 total cpu time spent up to now is 69.5 secs Computing kpt #: 148 total cpu time spent up to now is 70.0 secs Computing kpt #: 149 total cpu time spent up to now is 70.5 secs Computing kpt #: 150 total cpu time spent up to now is 71.0 secs Computing kpt #: 151 total cpu time spent up to now is 71.5 secs Computing kpt #: 152 total cpu time spent up to now is 71.9 secs Computing kpt #: 153 total cpu time spent up to now is 72.4 secs Computing kpt #: 154 total cpu time spent up to now is 72.9 secs Computing kpt #: 155 total cpu time spent up to now is 73.5 secs Computing kpt #: 156 total cpu time spent up to now is 73.9 secs Computing kpt #: 157 total cpu time spent up to now is 74.4 secs Computing kpt #: 158 total cpu time spent up to now is 74.9 secs Computing kpt #: 159 total cpu time spent up to now is 75.3 secs Computing kpt #: 160 total cpu time spent up to now is 75.8 secs Computing kpt #: 161 total cpu time spent up to now is 76.3 secs Computing kpt #: 162 total cpu time spent up to now is 76.7 secs Computing kpt #: 163 total cpu time spent up to now is 77.1 secs Computing kpt #: 164 total cpu time spent up to now is 77.6 secs Computing kpt #: 165 total cpu time spent up to now is 78.1 secs Computing kpt #: 166 total cpu time spent up to now is 78.5 secs Computing kpt #: 167 total cpu time spent up to now is 78.9 secs Computing kpt #: 168 total cpu time spent up to now is 79.4 secs Computing kpt #: 169 total cpu time spent up to now is 79.8 secs Computing kpt #: 170 total cpu time spent up to now is 80.3 secs Computing kpt #: 171 total cpu time spent up to now is 80.7 secs Computing kpt #: 172 total cpu time spent up to now is 81.1 secs Computing kpt #: 173 total cpu time spent up to now is 81.7 secs Computing kpt #: 174 total cpu time spent up to now is 82.2 secs Computing kpt #: 175 total cpu time spent up to now is 82.8 secs Computing kpt #: 176 total cpu time spent up to now is 83.3 secs Computing kpt #: 177 total cpu time spent up to now is 83.9 secs Computing kpt #: 178 total cpu time spent up to now is 84.3 secs Computing kpt #: 179 total cpu time spent up to now is 84.7 secs Computing kpt #: 180 total cpu time spent up to now is 85.1 secs Computing kpt #: 181 total cpu time spent up to now is 85.6 secs Computing kpt #: 182 total cpu time spent up to now is 86.1 secs Computing kpt #: 183 total cpu time spent up to now is 86.5 secs Computing kpt #: 184 total cpu time spent up to now is 86.9 secs Computing kpt #: 185 total cpu time spent up to now is 87.3 secs Computing kpt #: 186 total cpu time spent up to now is 87.7 secs Computing kpt #: 187 total cpu time spent up to now is 88.1 secs Computing kpt #: 188 total cpu time spent up to now is 88.5 secs Computing kpt #: 189 total cpu time spent up to now is 88.9 secs Computing kpt #: 190 total cpu time spent up to now is 89.3 secs Computing kpt #: 191 total cpu time spent up to now is 89.7 secs Computing kpt #: 192 total cpu time spent up to now is 90.1 secs Computing kpt #: 193 total cpu time spent up to now is 90.5 secs Computing kpt #: 194 total cpu time spent up to now is 90.9 secs Computing kpt #: 195 total cpu time spent up to now is 91.3 secs Computing kpt #: 196 total cpu time spent up to now is 91.7 secs Computing kpt #: 197 total cpu time spent up to now is 92.1 secs Computing kpt #: 198 total cpu time spent up to now is 92.4 secs Computing kpt #: 199 total cpu time spent up to now is 92.8 secs Computing kpt #: 200 total cpu time spent up to now is 93.3 secs Computing kpt #: 201 total cpu time spent up to now is 93.7 secs Computing kpt #: 202 total cpu time spent up to now is 94.1 secs Computing kpt #: 203 total cpu time spent up to now is 94.5 secs Computing kpt #: 204 total cpu time spent up to now is 94.9 secs Computing kpt #: 205 total cpu time spent up to now is 95.4 secs Computing kpt #: 206 total cpu time spent up to now is 95.9 secs Computing kpt #: 207 total cpu time spent up to now is 96.3 secs Computing kpt #: 208 total cpu time spent up to now is 96.7 secs Computing kpt #: 209 total cpu time spent up to now is 97.2 secs Computing kpt #: 210 total cpu time spent up to now is 97.7 secs Computing kpt #: 211 total cpu time spent up to now is 98.2 secs Computing kpt #: 212 total cpu time spent up to now is 98.7 secs Computing kpt #: 213 total cpu time spent up to now is 99.2 secs Computing kpt #: 214 total cpu time spent up to now is 99.6 secs Computing kpt #: 215 total cpu time spent up to now is 100.0 secs Computing kpt #: 216 total cpu time spent up to now is 100.5 secs Computing kpt #: 217 total cpu time spent up to now is 100.9 secs Computing kpt #: 218 total cpu time spent up to now is 101.3 secs Computing kpt #: 219 total cpu time spent up to now is 101.8 secs Computing kpt #: 220 total cpu time spent up to now is 102.3 secs Computing kpt #: 221 total cpu time spent up to now is 102.8 secs Computing kpt #: 222 total cpu time spent up to now is 103.3 secs Computing kpt #: 223 total cpu time spent up to now is 103.7 secs Computing kpt #: 224 total cpu time spent up to now is 104.3 secs Computing kpt #: 225 total cpu time spent up to now is 104.8 secs Computing kpt #: 226 total cpu time spent up to now is 105.3 secs Computing kpt #: 227 total cpu time spent up to now is 105.8 secs Computing kpt #: 228 total cpu time spent up to now is 106.3 secs Computing kpt #: 229 total cpu time spent up to now is 106.8 secs Computing kpt #: 230 total cpu time spent up to now is 107.3 secs Computing kpt #: 231 total cpu time spent up to now is 107.8 secs Computing kpt #: 232 total cpu time spent up to now is 108.3 secs Computing kpt #: 233 total cpu time spent up to now is 108.8 secs Computing kpt #: 234 total cpu time spent up to now is 109.3 secs Computing kpt #: 235 total cpu time spent up to now is 109.8 secs Computing kpt #: 236 total cpu time spent up to now is 110.2 secs Computing kpt #: 237 total cpu time spent up to now is 110.7 secs Computing kpt #: 238 total cpu time spent up to now is 111.1 secs Computing kpt #: 239 total cpu time spent up to now is 111.6 secs Computing kpt #: 240 total cpu time spent up to now is 112.0 secs Computing kpt #: 241 total cpu time spent up to now is 112.5 secs Computing kpt #: 242 total cpu time spent up to now is 112.9 secs Computing kpt #: 243 total cpu time spent up to now is 113.3 secs Computing kpt #: 244 total cpu time spent up to now is 113.8 secs Computing kpt #: 245 total cpu time spent up to now is 114.2 secs Computing kpt #: 246 total cpu time spent up to now is 114.7 secs Computing kpt #: 247 total cpu time spent up to now is 115.1 secs Computing kpt #: 248 total cpu time spent up to now is 115.6 secs Computing kpt #: 249 total cpu time spent up to now is 116.0 secs Computing kpt #: 250 total cpu time spent up to now is 116.5 secs Computing kpt #: 251 total cpu time spent up to now is 116.9 secs Computing kpt #: 252 total cpu time spent up to now is 117.3 secs Computing kpt #: 253 total cpu time spent up to now is 117.7 secs Computing kpt #: 254 total cpu time spent up to now is 118.2 secs Computing kpt #: 255 total cpu time spent up to now is 118.7 secs Computing kpt #: 256 total cpu time spent up to now is 119.2 secs Computing kpt #: 257 total cpu time spent up to now is 119.7 secs Computing kpt #: 258 total cpu time spent up to now is 120.2 secs Computing kpt #: 259 total cpu time spent up to now is 120.7 secs Computing kpt #: 260 total cpu time spent up to now is 121.2 secs Computing kpt #: 261 total cpu time spent up to now is 121.7 secs Computing kpt #: 262 total cpu time spent up to now is 122.2 secs Computing kpt #: 263 total cpu time spent up to now is 122.7 secs Computing kpt #: 264 total cpu time spent up to now is 123.2 secs Computing kpt #: 265 total cpu time spent up to now is 123.6 secs Computing kpt #: 266 total cpu time spent up to now is 124.1 secs Computing kpt #: 267 total cpu time spent up to now is 124.5 secs Computing kpt #: 268 total cpu time spent up to now is 125.0 secs Computing kpt #: 269 total cpu time spent up to now is 125.5 secs Computing kpt #: 270 total cpu time spent up to now is 125.9 secs Computing kpt #: 271 total cpu time spent up to now is 126.4 secs Computing kpt #: 272 total cpu time spent up to now is 126.9 secs Computing kpt #: 273 total cpu time spent up to now is 127.3 secs Computing kpt #: 274 total cpu time spent up to now is 127.8 secs Computing kpt #: 275 total cpu time spent up to now is 128.2 secs Computing kpt #: 276 total cpu time spent up to now is 128.6 secs Computing kpt #: 277 total cpu time spent up to now is 129.1 secs Computing kpt #: 278 total cpu time spent up to now is 129.5 secs Computing kpt #: 279 total cpu time spent up to now is 129.9 secs Computing kpt #: 280 total cpu time spent up to now is 130.3 secs Computing kpt #: 281 total cpu time spent up to now is 130.7 secs Computing kpt #: 282 total cpu time spent up to now is 131.1 secs Computing kpt #: 283 total cpu time spent up to now is 131.5 secs Computing kpt #: 284 total cpu time spent up to now is 131.9 secs Computing kpt #: 285 total cpu time spent up to now is 132.3 secs Computing kpt #: 286 total cpu time spent up to now is 132.7 secs Computing kpt #: 287 total cpu time spent up to now is 133.1 secs Computing kpt #: 288 total cpu time spent up to now is 133.4 secs Computing kpt #: 289 total cpu time spent up to now is 133.8 secs Computing kpt #: 290 total cpu time spent up to now is 134.3 secs Computing kpt #: 291 total cpu time spent up to now is 134.7 secs Computing kpt #: 292 total cpu time spent up to now is 135.1 secs Computing kpt #: 293 total cpu time spent up to now is 135.6 secs Computing kpt #: 294 total cpu time spent up to now is 135.9 secs Computing kpt #: 295 total cpu time spent up to now is 136.4 secs Computing kpt #: 296 total cpu time spent up to now is 136.8 secs Computing kpt #: 297 total cpu time spent up to now is 137.3 secs Computing kpt #: 298 total cpu time spent up to now is 137.8 secs Computing kpt #: 299 total cpu time spent up to now is 138.2 secs Computing kpt #: 300 total cpu time spent up to now is 138.7 secs Computing kpt #: 301 total cpu time spent up to now is 139.1 secs Computing kpt #: 302 total cpu time spent up to now is 139.6 secs Computing kpt #: 303 total cpu time spent up to now is 140.1 secs Computing kpt #: 304 total cpu time spent up to now is 140.5 secs Computing kpt #: 305 total cpu time spent up to now is 140.9 secs Computing kpt #: 306 total cpu time spent up to now is 141.4 secs Computing kpt #: 307 total cpu time spent up to now is 141.9 secs Computing kpt #: 308 total cpu time spent up to now is 142.4 secs Computing kpt #: 309 total cpu time spent up to now is 142.9 secs Computing kpt #: 310 total cpu time spent up to now is 143.4 secs Computing kpt #: 311 total cpu time spent up to now is 144.0 secs Computing kpt #: 312 total cpu time spent up to now is 144.4 secs Computing kpt #: 313 total cpu time spent up to now is 145.0 secs Computing kpt #: 314 total cpu time spent up to now is 145.5 secs Computing kpt #: 315 total cpu time spent up to now is 146.0 secs Computing kpt #: 316 total cpu time spent up to now is 146.5 secs Computing kpt #: 317 total cpu time spent up to now is 147.0 secs Computing kpt #: 318 total cpu time spent up to now is 147.5 secs Computing kpt #: 319 total cpu time spent up to now is 148.0 secs Computing kpt #: 320 total cpu time spent up to now is 148.5 secs Computing kpt #: 321 total cpu time spent up to now is 148.9 secs Computing kpt #: 322 total cpu time spent up to now is 149.3 secs Computing kpt #: 323 total cpu time spent up to now is 149.8 secs Computing kpt #: 324 total cpu time spent up to now is 150.3 secs Computing kpt #: 325 total cpu time spent up to now is 150.8 secs Computing kpt #: 326 total cpu time spent up to now is 151.3 secs Computing kpt #: 327 total cpu time spent up to now is 151.9 secs Computing kpt #: 328 total cpu time spent up to now is 152.5 secs Computing kpt #: 329 total cpu time spent up to now is 152.9 secs Computing kpt #: 330 total cpu time spent up to now is 153.3 secs Computing kpt #: 331 total cpu time spent up to now is 153.7 secs Computing kpt #: 332 total cpu time spent up to now is 154.2 secs Computing kpt #: 333 total cpu time spent up to now is 154.7 secs Computing kpt #: 334 total cpu time spent up to now is 155.1 secs ethr = 3.85E-08, avg # of iterations = 21.1 total cpu time spent up to now is 155.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2637 PWs) bands (ev): -38.0399 -38.0399 -17.0357 -17.0357 -16.5301 -16.5301 -16.5301 -16.5301 0.0963 0.0963 6.3326 6.3326 6.3326 6.3326 6.8089 6.8089 7.7992 7.7992 7.7992 7.7992 11.2030 11.2030 11.8368 11.8368 11.8368 11.8368 12.6077 12.6077 13.6525 13.6525 13.6525 13.6525 13.6802 13.6802 k = 0.0100-0.0058 0.0082 ( 2653 PWs) bands (ev): -38.0399 -38.0399 -17.0358 -17.0358 -16.5302 -16.5302 -16.5302 -16.5302 0.0976 0.0976 6.3260 6.3260 6.3387 6.3387 6.8083 6.8083 7.7887 7.7887 7.8099 7.8099 11.1981 11.1981 11.8267 11.8267 11.8321 11.8321 12.6125 12.6125 13.6193 13.6193 13.6718 13.6718 13.6994 13.6994 k = 0.0200-0.0115 0.0163 ( 2653 PWs) bands (ev): -38.0399 -38.0399 -17.0358 -17.0358 -16.5302 -16.5302 -16.5302 -16.5302 0.1014 0.1014 6.3187 6.3187 6.3445 6.3445 6.8066 6.8066 7.7789 7.7789 7.8209 7.8209 11.1837 11.1837 11.7979 11.7979 11.8181 11.8181 12.6260 12.6260 13.5869 13.5869 13.6837 13.6837 13.7355 13.7355 k = 0.0300-0.0173 0.0245 ( 2661 PWs) bands (ev): -38.0399 -38.0399 -17.0358 -17.0358 -16.5303 -16.5303 -16.5302 -16.5302 0.1079 0.1079 6.3104 6.3104 6.3502 6.3502 6.8039 6.8039 7.7697 7.7697 7.8321 7.8321 11.1600 11.1600 11.7535 11.7535 11.7953 11.7953 12.6452 12.6452 13.5579 13.5579 13.6994 13.6994 13.7726 13.7726 k = 0.0400-0.0231 0.0327 ( 2661 PWs) bands (ev): -38.0398 -38.0398 -17.0359 -17.0359 -16.5304 -16.5304 -16.5303 -16.5303 0.1169 0.1169 6.3008 6.3008 6.3560 6.3560 6.8004 6.8004 7.7613 7.7613 7.8434 7.8434 11.1275 11.1275 11.6973 11.6973 11.7645 11.7645 12.6668 12.6668 13.5331 13.5331 13.7174 13.7174 13.8096 13.8096 k = 0.0500-0.0289 0.0408 ( 2661 PWs) bands (ev): -38.0398 -38.0398 -17.0359 -17.0359 -16.5305 -16.5305 -16.5303 -16.5303 0.1284 0.1284 6.2896 6.2896 6.3620 6.3620 6.7964 6.7964 7.7537 7.7537 7.8546 7.8546 11.0866 11.0866 11.6330 11.6330 11.7265 11.7265 12.6878 12.6878 13.5128 13.5128 13.7342 13.7342 13.8480 13.8480 k = 0.0600-0.0346 0.0490 ( 2661 PWs) bands (ev): -38.0398 -38.0398 -17.0359 -17.0359 -16.5306 -16.5306 -16.5303 -16.5303 0.1424 0.1424 6.2765 6.2765 6.3684 6.3684 6.7922 6.7922 7.7470 7.7470 7.8656 7.8656 11.0379 11.0379 11.5634 11.5634 11.6822 11.6822 12.7063 12.7063 13.4970 13.4970 13.7465 13.7465 13.8901 13.8901 k = 0.0700-0.0404 0.0572 ( 2665 PWs) bands (ev): -38.0398 -38.0398 -17.0360 -17.0360 -16.5308 -16.5308 -16.5304 -16.5304 0.1589 0.1589 6.2612 6.2612 6.3751 6.3751 6.7882 6.7882 7.7412 7.7412 7.8763 7.8763 10.9823 10.9823 11.4907 11.4907 11.6325 11.6325 12.7210 12.7210 13.4856 13.4856 13.7530 13.7530 13.9372 13.9372 k = 0.0800-0.0462 0.0653 ( 2661 PWs) bands (ev): -38.0398 -38.0398 -17.0361 -17.0361 -16.5310 -16.5310 -16.5304 -16.5304 0.1778 0.1778 6.2434 6.2434 6.3823 6.3823 6.7846 6.7846 7.7364 7.7364 7.8868 7.8868 10.9205 10.9205 11.4166 11.4166 11.5785 11.5785 12.7313 12.7313 13.4785 13.4785 13.7541 13.7541 13.9893 13.9893 k = 0.0900-0.0520 0.0735 ( 2669 PWs) bands (ev): -38.0397 -38.0397 -17.0362 -17.0362 -16.5312 -16.5312 -16.5305 -16.5305 0.1990 0.1990 6.2231 6.2231 6.3900 6.3900 6.7819 6.7819 7.7325 7.7325 7.8968 7.8968 10.8533 10.8533 11.3420 11.3420 11.5208 11.5208 12.7372 12.7372 13.4754 13.4754 13.7506 13.7506 14.0453 14.0453 k = 0.1000-0.0577 0.0816 ( 2653 PWs) bands (ev): -38.0397 -38.0397 -17.0362 -17.0362 -16.5313 -16.5313 -16.5306 -16.5306 0.2226 0.2226 6.2002 6.2002 6.3983 6.3983 6.7803 6.7803 7.7295 7.7295 7.9064 7.9064 10.7817 10.7817 11.2679 11.2679 11.4603 11.4603 12.7389 12.7389 13.4759 13.4759 13.7435 13.7435 14.1042 14.1042 k = 0.1100-0.0635 0.0898 ( 2645 PWs) bands (ev): -38.0397 -38.0397 -17.0363 -17.0363 -16.5315 -16.5315 -16.5306 -16.5306 0.2485 0.2485 6.1745 6.1745 6.4070 6.4070 6.7800 6.7800 7.7274 7.7274 7.9156 7.9156 10.7063 10.7063 11.1944 11.1944 11.3974 11.3974 12.7368 12.7368 13.4796 13.4796 13.7337 13.7337 14.1645 14.1645 k = 0.1200-0.0693 0.0980 ( 2637 PWs) bands (ev): -38.0396 -38.0396 -17.0363 -17.0363 -16.5317 -16.5317 -16.5307 -16.5307 0.2765 0.2765 6.1462 6.1462 6.4164 6.4164 6.7812 6.7812 7.7260 7.7260 7.9244 7.9244 10.6281 10.6281 11.1219 11.1219 11.3328 11.3328 12.7315 12.7315 13.4862 13.4862 13.7215 13.7215 14.2253 14.2253 k = 0.1300-0.0751 0.1061 ( 2637 PWs) bands (ev): -38.0396 -38.0396 -17.0364 -17.0364 -16.5320 -16.5320 -16.5308 -16.5308 0.3066 0.3066 6.1155 6.1155 6.4263 6.4263 6.7840 6.7840 7.7253 7.7253 7.9327 7.9327 10.5478 10.5478 11.0505 11.0505 11.2669 11.2669 12.7235 12.7235 13.4954 13.4954 13.7074 13.7074 14.2852 14.2852 k = 0.1400-0.0808 0.1143 ( 2633 PWs) bands (ev): -38.0396 -38.0396 -17.0365 -17.0365 -16.5323 -16.5323 -16.5309 -16.5309 0.3388 0.3388 6.0825 6.0825 6.4367 6.4367 6.7884 6.7884 7.7252 7.7252 7.9407 7.9407 10.4659 10.4659 10.9802 10.9802 11.2001 11.2001 12.7134 12.7134 13.5068 13.5068 13.6916 13.6916 14.3433 14.3433 k = 0.1500-0.0866 0.1225 ( 2633 PWs) bands (ev): -38.0395 -38.0395 -17.0367 -17.0367 -16.5326 -16.5326 -16.5310 -16.5310 0.3729 0.3729 6.0476 6.0476 6.4476 6.4476 6.7944 6.7944 7.7255 7.7255 7.9484 7.9484 10.3830 10.3830 10.9112 10.9112 11.1327 11.1327 12.7017 12.7017 13.5202 13.5202 13.6744 13.6744 14.3984 14.3984 k = 0.1600-0.0924 0.1306 ( 2629 PWs) bands (ev): -38.0395 -38.0395 -17.0368 -17.0368 -16.5329 -16.5329 -16.5310 -16.5310 0.4088 0.4088 6.0110 6.0110 6.4590 6.4590 6.8020 6.8020 7.7262 7.7262 7.9558 7.9558 10.2995 10.2995 10.8433 10.8433 11.0650 11.0650 12.6888 12.6888 13.5354 13.5354 13.6559 13.6559 14.4496 14.4496 k = 0.1700-0.0981 0.1388 ( 2613 PWs) bands (ev): -38.0394 -38.0394 -17.0369 -17.0369 -16.5332 -16.5332 -16.5311 -16.5311 0.4464 0.4464 5.9732 5.9732 6.4709 6.4709 6.8110 6.8110 7.7271 7.7271 7.9630 7.9630 10.2158 10.2158 10.7768 10.7768 10.9973 10.9973 12.6750 12.6750 13.5522 13.5522 13.6363 13.6363 14.4959 14.4959 k = 0.1800-0.1039 0.1470 ( 2613 PWs) bands (ev): -38.0394 -38.0394 -17.0370 -17.0370 -16.5335 -16.5335 -16.5312 -16.5312 0.4856 0.4856 5.9345 5.9345 6.4832 6.4832 6.8213 6.8213 7.7281 7.7281 7.9702 7.9702 10.1321 10.1321 10.7114 10.7114 10.9297 10.9297 12.6607 12.6607 13.5703 13.5703 13.6157 13.6157 14.5364 14.5364 k = 0.1900-0.1097 0.1551 ( 2613 PWs) bands (ev): -38.0393 -38.0393 -17.0371 -17.0371 -16.5339 -16.5339 -16.5313 -16.5313 0.5263 0.5263 5.8952 5.8952 6.4959 6.4959 6.8329 6.8329 7.7290 7.7290 7.9774 7.9774 10.0487 10.0487 10.6473 10.6473 10.8623 10.8623 12.6461 12.6461 13.5882 13.5882 13.5957 13.5957 14.5705 14.5705 k = 0.2000-0.1155 0.1633 ( 2613 PWs) bands (ev): -38.0393 -38.0393 -17.0373 -17.0373 -16.5342 -16.5342 -16.5314 -16.5314 0.5682 0.5682 5.8557 5.8557 6.5089 6.5089 6.8456 6.8456 7.7298 7.7298 7.9847 7.9847 9.9656 9.9656 10.5845 10.5845 10.7955 10.7955 12.6313 12.6313 13.5710 13.5710 13.6113 13.6113 14.5975 14.5975 k = 0.2100-0.1212 0.1715 ( 2613 PWs) bands (ev): -38.0392 -38.0392 -17.0374 -17.0374 -16.5346 -16.5346 -16.5316 -16.5316 0.6114 0.6114 5.8163 5.8163 6.5222 6.5222 6.8593 6.8593 7.7304 7.7304 7.9921 7.9921 9.8830 9.8830 10.5230 10.5230 10.7293 10.7293 12.6167 12.6167 13.5480 13.5480 13.6331 13.6331 14.6172 14.6172 k = 0.2200-0.1270 0.1796 ( 2621 PWs) bands (ev): -38.0392 -38.0392 -17.0376 -17.0376 -16.5350 -16.5350 -16.5317 -16.5317 0.6556 0.6556 5.7774 5.7774 6.5358 6.5358 6.8739 6.8739 7.7307 7.7307 7.9998 7.9998 9.8009 9.8009 10.4629 10.4629 10.6638 10.6638 12.6022 12.6022 13.5243 13.5243 13.6560 13.6560 14.6294 14.6294 k = 0.2300-0.1328 0.1878 ( 2614 PWs) bands (ev): -38.0391 -38.0391 -17.0377 -17.0377 -16.5354 -16.5354 -16.5318 -16.5318 0.7007 0.7007 5.7393 5.7393 6.5496 6.5496 6.8893 6.8893 7.7307 7.7307 8.0077 8.0077 9.7196 9.7196 10.4043 10.4043 10.5991 10.5991 12.5881 12.5881 13.5000 13.5000 13.6800 13.6800 14.6343 14.6343 k = 0.2400-0.1386 0.1960 ( 2614 PWs) bands (ev): -38.0391 -38.0391 -17.0379 -17.0379 -16.5358 -16.5358 -16.5319 -16.5319 0.7464 0.7464 5.7023 5.7023 6.5635 6.5635 6.9053 6.9053 7.7304 7.7304 8.0160 8.0160 9.6388 9.6388 10.3472 10.3472 10.5354 10.5354 12.5742 12.5742 13.4753 13.4753 13.7049 13.7049 14.6321 14.6321 k = 0.2500-0.1443 0.2041 ( 2610 PWs) bands (ev): -38.0390 -38.0390 -17.0380 -17.0380 -16.5362 -16.5362 -16.5320 -16.5320 0.7927 0.7927 5.6667 5.6667 6.5775 6.5775 6.9218 6.9218 7.7298 7.7298 8.0245 8.0245 9.5588 9.5588 10.2915 10.2915 10.4727 10.4727 12.5607 12.5607 13.4503 13.4503 13.7306 13.7306 14.6234 14.6234 k = 0.2600-0.1501 0.2123 ( 2618 PWs) bands (ev): -38.0390 -38.0390 -17.0382 -17.0382 -16.5366 -16.5366 -16.5321 -16.5321 0.8392 0.8392 5.6327 5.6327 6.5916 6.5916 6.9387 6.9387 7.7290 7.7290 8.0332 8.0332 9.4795 9.4795 10.2374 10.2374 10.4110 10.4110 12.5477 12.5477 13.4251 13.4251 13.7570 13.7570 14.6087 14.6087 k = 0.2700-0.1559 0.2205 ( 2630 PWs) bands (ev): -38.0389 -38.0389 -17.0384 -17.0384 -16.5370 -16.5370 -16.5323 -16.5323 0.8859 0.8859 5.6005 5.6005 6.6056 6.6056 6.9558 6.9558 7.7280 7.7280 8.0422 8.0422 9.4010 9.4010 10.1848 10.1848 10.3505 10.3505 12.5351 12.5351 13.3998 13.3998 13.7841 13.7841 14.5890 14.5890 k = 0.2800-0.1617 0.2286 ( 2630 PWs) bands (ev): -38.0388 -38.0388 -17.0386 -17.0386 -16.5374 -16.5374 -16.5324 -16.5324 0.9325 0.9325 5.5705 5.5705 6.6195 6.6195 6.9731 6.9731 7.7268 7.7268 8.0512 8.0512 9.3235 9.3235 10.1340 10.1340 10.2914 10.2914 12.5230 12.5230 13.3745 13.3745 13.8117 13.8117 14.5649 14.5649 k = 0.2900-0.1674 0.2368 ( 2614 PWs) bands (ev): -38.0388 -38.0388 -17.0387 -17.0387 -16.5377 -16.5377 -16.5325 -16.5325 0.9788 0.9788 5.5428 5.5428 6.6334 6.6334 6.9903 6.9903 7.7258 7.7258 8.0602 8.0602 9.2470 9.2470 10.0849 10.0849 10.2336 10.2336 12.5113 12.5113 13.3494 13.3494 13.8397 13.8397 14.5372 14.5372 k = 0.3000-0.1732 0.2449 ( 2626 PWs) bands (ev): -38.0387 -38.0387 -17.0389 -17.0389 -16.5381 -16.5381 -16.5327 -16.5327 1.0246 1.0246 5.5175 5.5175 6.6471 6.6471 7.0072 7.0072 7.7248 7.7248 8.0689 8.0689 9.1717 9.1717 10.0375 10.0375 10.1772 10.1772 12.5001 12.5001 13.3244 13.3244 13.8680 13.8680 14.5069 14.5069 k = 0.3100-0.1790 0.2531 ( 2626 PWs) bands (ev): -38.0387 -38.0387 -17.0391 -17.0391 -16.5385 -16.5385 -16.5328 -16.5328 1.0697 1.0697 5.4948 5.4948 6.6606 6.6606 7.0238 7.0238 7.7241 7.7241 8.0773 8.0773 9.0978 9.0978 9.9918 9.9918 10.1223 10.1223 12.4893 12.4893 13.2998 13.2998 13.8964 13.8964 14.4745 14.4745 k = 0.3200-0.1848 0.2613 ( 2626 PWs) bands (ev): -38.0386 -38.0386 -17.0392 -17.0392 -16.5389 -16.5389 -16.5329 -16.5329 1.1139 1.1139 5.4747 5.4747 6.6738 6.6738 7.0399 7.0399 7.7238 7.7238 8.0851 8.0851 9.0256 9.0256 9.9480 9.9480 10.0690 10.0690 12.4790 12.4790 13.2758 13.2758 13.9249 13.9249 14.4408 14.4408 k = 0.3300-0.1905 0.2694 ( 2626 PWs) bands (ev): -38.0386 -38.0386 -17.0394 -17.0394 -16.5392 -16.5392 -16.5330 -16.5330 1.1570 1.1570 5.4574 5.4574 6.6868 6.6868 7.0552 7.0552 7.7238 7.7238 8.0921 8.0921 8.9554 8.9554 9.9060 9.9060 10.0174 10.0174 12.4692 12.4692 13.2523 13.2523 13.9531 13.9531 14.4065 14.4065 k = 0.3400-0.1963 0.2776 ( 2626 PWs) bands (ev): -38.0385 -38.0385 -17.0395 -17.0395 -16.5396 -16.5396 -16.5331 -16.5331 1.1987 1.1987 5.4429 5.4429 6.6996 6.6996 7.0697 7.0697 7.7245 7.7245 8.0978 8.0978 8.8877 8.8877 9.8660 9.8660 9.9676 9.9676 12.4598 12.4598 13.2295 13.2295 13.9809 13.9809 14.3720 14.3720 k = 0.3500-0.2021 0.2858 ( 2618 PWs) bands (ev): -38.0385 -38.0385 -17.0396 -17.0396 -16.5399 -16.5399 -16.5332 -16.5332 1.2388 1.2388 5.4311 5.4311 6.7121 6.7121 7.0830 7.0830 7.7257 7.7257 8.1021 8.1021 8.8231 8.8231 9.8280 9.8280 9.9197 9.9197 12.4509 12.4509 13.2074 13.2074 14.0082 14.0082 14.3380 14.3380 k = 0.3600-0.2078 0.2939 ( 2602 PWs) bands (ev): -38.0384 -38.0384 -17.0397 -17.0397 -16.5402 -16.5402 -16.5332 -16.5332 1.2772 1.2772 5.4221 5.4221 6.7243 6.7243 7.0951 7.0951 7.7275 7.7275 8.1044 8.1044 8.7621 8.7621 9.7920 9.7920 9.8739 9.8739 12.4425 12.4425 13.1864 13.1864 14.0347 14.0347 14.3047 14.3047 k = 0.3700-0.2136 0.3021 ( 2602 PWs) bands (ev): -38.0384 -38.0384 -17.0398 -17.0398 -16.5405 -16.5405 -16.5333 -16.5333 1.3137 1.3137 5.4156 5.4156 6.7363 6.7363 7.1057 7.1057 7.7300 7.7300 8.1043 8.1043 8.7055 8.7055 9.7581 9.7581 9.8301 9.8301 12.4345 12.4345 13.1663 13.1663 14.0600 14.0600 14.2726 14.2726 k = 0.3800-0.2194 0.3103 ( 2606 PWs) bands (ev): -38.0384 -38.0384 -17.0400 -17.0400 -16.5408 -16.5408 -16.5334 -16.5334 1.3481 1.3481 5.4115 5.4115 6.7481 6.7481 7.1147 7.1147 7.7331 7.7331 8.1013 8.1013 8.6540 8.6540 9.7262 9.7262 9.7888 9.7888 12.4270 12.4270 13.1473 13.1473 14.0839 14.0839 14.2421 14.2421 k = 0.3900-0.2252 0.3184 ( 2606 PWs) bands (ev): -38.0383 -38.0383 -17.0401 -17.0401 -16.5410 -16.5410 -16.5335 -16.5335 1.3803 1.3803 5.4097 5.4097 6.7597 6.7597 7.1218 7.1218 7.7367 7.7367 8.0951 8.0951 8.6083 8.6083 9.6966 9.6966 9.7499 9.7499 12.4200 12.4200 13.1295 13.1295 14.1058 14.1058 14.2137 14.2137 k = 0.4000-0.2309 0.3266 ( 2598 PWs) bands (ev): -38.0383 -38.0383 -17.0401 -17.0401 -16.5412 -16.5412 -16.5336 -16.5336 1.4101 1.4101 5.4098 5.4098 6.7712 6.7712 7.1271 7.1271 7.7409 7.7409 8.0854 8.0854 8.5691 8.5691 9.6691 9.6691 9.7137 9.7137 12.4135 12.4135 13.1130 13.1130 14.1246 14.1246 14.1879 14.1879 k = 0.4100-0.2367 0.3348 ( 2598 PWs) bands (ev): -38.0383 -38.0383 -17.0402 -17.0402 -16.5415 -16.5415 -16.5336 -16.5336 1.4374 1.4374 5.4116 5.4116 6.7825 6.7825 7.1303 7.1303 7.7454 7.7454 8.0724 8.0724 8.5366 8.5366 9.6438 9.6438 9.6804 9.6804 12.4076 12.4076 13.0978 13.0978 14.1359 14.1359 14.1670 14.1670 k = 0.4200-0.2425 0.3429 ( 2598 PWs) bands (ev): -38.0382 -38.0382 -17.0403 -17.0403 -16.5417 -16.5417 -16.5337 -16.5337 1.4620 1.4620 5.4147 5.4147 6.7936 6.7936 7.1316 7.1316 7.7502 7.7502 8.0565 8.0565 8.5106 8.5106 9.6206 9.6206 9.6503 9.6503 12.4022 12.4022 13.0840 13.0840 14.1298 14.1298 14.1535 14.1535 k = 0.4300-0.2483 0.3511 ( 2618 PWs) bands (ev): -38.0382 -38.0382 -17.0405 -17.0405 -16.5419 -16.5419 -16.5338 -16.5338 1.4840 1.4840 5.4187 5.4187 6.8045 6.8045 7.1310 7.1310 7.7552 7.7552 8.0387 8.0387 8.4905 8.4905 9.5994 9.5994 9.6238 9.6238 12.3973 12.3973 13.0717 13.0717 14.1136 14.1136 14.1370 14.1370 k = 0.4400-0.2540 0.3593 ( 2602 PWs) bands (ev): -38.0382 -38.0382 -17.0405 -17.0405 -16.5420 -16.5420 -16.5338 -16.5338 1.5031 1.5031 5.4233 5.4233 6.8150 6.8150 7.1287 7.1287 7.7601 7.7601 8.0201 8.0201 8.4756 8.4756 9.5801 9.5801 9.6012 9.6012 12.3931 12.3931 13.0610 13.0610 14.0976 14.0976 14.1187 14.1187 k = 0.4500-0.2598 0.3674 ( 2602 PWs) bands (ev): -38.0382 -38.0382 -17.0405 -17.0405 -16.5422 -16.5422 -16.5338 -16.5338 1.5195 1.5195 5.4280 5.4280 6.8250 6.8250 7.1252 7.1252 7.7649 7.7649 8.0020 8.0020 8.4649 8.4649 9.5626 9.5626 9.5827 9.5827 12.3895 12.3895 13.0518 13.0518 14.0836 14.0836 14.1016 14.1016 k = 0.4600-0.2656 0.3756 ( 2602 PWs) bands (ev): -38.0381 -38.0381 -17.0406 -17.0406 -16.5423 -16.5423 -16.5339 -16.5339 1.5329 1.5329 5.4325 5.4325 6.8340 6.8340 7.1208 7.1208 7.7693 7.7693 7.9856 7.9856 8.4574 8.4574 9.5474 9.5474 9.5682 9.5682 12.3865 12.3865 13.0442 13.0442 14.0722 14.0722 14.0869 14.0869 k = 0.4700-0.2714 0.3838 ( 2594 PWs) bands (ev): -38.0381 -38.0381 -17.0406 -17.0406 -16.5424 -16.5424 -16.5339 -16.5339 1.5433 1.5433 5.4364 5.4364 6.8419 6.8419 7.1164 7.1164 7.7731 7.7731 7.9717 7.9717 8.4523 8.4523 9.5350 9.5350 9.5574 9.5574 12.3842 12.3842 13.0383 13.0383 14.0637 14.0637 14.0748 14.0748 k = 0.4800-0.2771 0.3919 ( 2586 PWs) bands (ev): -38.0381 -38.0381 -17.0406 -17.0406 -16.5424 -16.5424 -16.5339 -16.5339 1.5508 1.5508 5.4394 5.4394 6.8480 6.8480 7.1124 7.1124 7.7761 7.7761 7.9612 7.9612 8.4491 8.4491 9.5258 9.5258 9.5498 9.5498 12.3825 12.3825 13.0341 13.0341 14.0580 14.0580 14.0656 14.0656 k = 0.4900-0.2829 0.4001 ( 2586 PWs) bands (ev): -38.0381 -38.0381 -17.0406 -17.0406 -16.5424 -16.5424 -16.5339 -16.5339 1.5553 1.5553 5.4413 5.4413 6.8519 6.8519 7.1098 7.1098 7.7779 7.7779 7.9546 7.9546 8.4474 8.4474 9.5202 9.5202 9.5453 9.5453 12.3815 12.3815 13.0315 13.0315 14.0552 14.0552 14.0594 14.0594 k = 0.5000-0.2887 0.4082 ( 2586 PWs) bands (ev): -38.0381 -38.0381 -17.0406 -17.0406 -16.5424 -16.5424 -16.5339 -16.5339 1.5568 1.5568 5.4420 5.4420 6.8532 6.8532 7.1088 7.1088 7.7786 7.7786 7.9524 7.9524 8.4468 8.4468 9.5183 9.5183 9.5438 9.5438 12.3811 12.3811 13.0307 13.0307 14.0548 14.0548 14.0569 14.0569 k = 0.5000-0.2887 0.4082 ( 2586 PWs) bands (ev): -38.0381 -38.0381 -17.0406 -17.0406 -16.5424 -16.5424 -16.5339 -16.5339 1.5568 1.5568 5.4420 5.4420 6.8532 6.8532 7.1088 7.1088 7.7786 7.7786 7.9524 7.9524 8.4468 8.4468 9.5183 9.5183 9.5438 9.5438 12.3811 12.3811 13.0307 13.0307 14.0548 14.0548 14.0569 14.0569 k = 0.5000-0.2771 0.4164 ( 2586 PWs) bands (ev): -38.0381 -38.0381 -17.0407 -17.0405 -16.5426 -16.5423 -16.5340 -16.5338 1.5554 1.5587 5.4397 5.4464 6.8370 6.8682 7.0884 7.1288 7.7426 7.8074 7.9357 7.9736 8.4358 8.4571 9.5057 9.5160 9.5482 9.5514 12.3779 12.3878 13.0331 13.0331 14.0515 14.0546 14.0558 14.0584 k = 0.5000-0.2656 0.4246 ( 2586 PWs) bands (ev): -38.0381 -38.0381 -17.0409 -17.0404 -16.5427 -16.5422 -16.5341 -16.5338 1.5543 1.5609 5.4394 5.4529 6.8193 6.8821 7.0677 7.1481 7.7000 7.8298 7.9230 7.9985 8.4243 8.4661 9.4928 9.4971 9.5504 9.5725 12.3781 12.3979 13.0403 13.0404 14.0451 14.0534 14.0550 14.0580 k = 0.5000-0.2540 0.4327 ( 2590 PWs) bands (ev): -38.0381 -38.0381 -17.0410 -17.0403 -16.5428 -16.5420 -16.5342 -16.5337 1.5537 1.5635 5.4412 5.4615 6.8000 6.8950 7.0468 7.1666 7.6520 7.8473 7.9136 8.0255 8.4127 8.4736 9.4703 9.4813 9.5492 9.5982 12.3818 12.4114 13.0517 13.0522 14.0363 14.0513 14.0536 14.0555 k = 0.5000-0.2425 0.4409 ( 2596 PWs) bands (ev): -38.0381 -38.0381 -17.0411 -17.0402 -16.5429 -16.5419 -16.5343 -16.5337 1.5534 1.5665 5.4451 5.4721 6.7789 6.9070 7.0262 7.1840 7.5998 7.8616 7.9067 8.0532 8.4010 8.4790 9.4373 9.4692 9.5471 9.6267 12.3890 12.4283 13.0671 13.0681 14.0251 14.0479 14.0511 14.0514 k = 0.5000-0.2309 0.4491 ( 2592 PWs) bands (ev): -38.0382 -38.0381 -17.0412 -17.0400 -16.5429 -16.5417 -16.5344 -16.5337 1.5536 1.5698 5.4510 5.4848 6.7559 6.9182 7.0060 7.2002 7.5449 7.8740 7.9014 8.0805 8.3895 8.4821 9.3992 9.4533 9.5477 9.6574 12.3997 12.4486 13.0856 13.0876 14.0116 14.0416 14.0466 14.0484 k = 0.5000-0.2194 0.4572 ( 2600 PWs) bands (ev): -38.0382 -38.0380 -17.0413 -17.0399 -16.5430 -16.5415 -16.5346 -16.5337 1.5541 1.5734 5.4588 5.4996 6.7306 6.9285 6.9864 7.2141 7.4889 7.8856 7.8972 8.1066 8.3781 8.4826 9.3568 9.4311 9.5538 9.6894 12.4141 12.4721 13.1069 13.1099 13.9958 14.0320 14.0420 14.0443 k = 0.5000-0.2078 0.4654 ( 2598 PWs) bands (ev): -38.0382 -38.0380 -17.0414 -17.0398 -16.5430 -16.5413 -16.5347 -16.5337 1.5549 1.5773 5.4687 5.5165 6.7030 6.9381 6.9678 7.2239 7.4347 7.8939 7.8969 8.1315 8.3669 8.4807 9.3109 9.4022 9.5661 9.7223 12.4320 12.4990 13.1302 13.1344 13.9777 14.0198 14.0365 14.0391 k = 0.5000-0.1963 0.4736 ( 2608 PWs) bands (ev): -38.0382 -38.0380 -17.0416 -17.0397 -16.5431 -16.5411 -16.5348 -16.5337 1.5560 1.5814 5.4806 5.5354 6.6732 6.9470 6.9502 7.2246 7.3878 7.8910 7.9082 8.1549 8.3557 8.4762 9.2626 9.3676 9.5838 9.7556 12.4535 12.5291 13.1551 13.1604 13.9573 14.0051 14.0300 14.0328 k = 0.5000-0.1848 0.4817 ( 2600 PWs) bands (ev): -38.0382 -38.0380 -17.0416 -17.0396 -16.5431 -16.5409 -16.5350 -16.5337 1.5573 1.5856 5.4944 5.5563 6.6411 6.9338 6.9551 7.2069 7.3581 7.8884 7.9199 8.1771 8.3446 8.4695 9.2126 9.3284 9.6057 9.7888 12.4786 12.5623 13.1811 13.1873 13.9345 13.9880 14.0223 14.0250 k = 0.5000-0.1732 0.4899 ( 2600 PWs) bands (ev): -38.0382 -38.0380 -17.0417 -17.0395 -16.5431 -16.5406 -16.5351 -16.5338 1.5589 1.5900 5.5101 5.5792 6.6068 6.9186 6.9626 7.1667 7.3504 7.8860 7.9322 8.1982 8.3334 8.4607 9.1618 9.2856 9.6307 9.8216 12.5073 12.5987 13.2078 13.2148 13.9093 13.9683 14.0131 14.0159 k = 0.5000-0.1617 0.4981 ( 2604 PWs) bands (ev): -38.0382 -38.0380 -17.0418 -17.0394 -16.5431 -16.5404 -16.5353 -16.5338 1.5607 1.5945 5.5276 5.6041 6.5707 6.9047 6.9694 7.1123 7.3565 7.8834 7.9450 8.2182 8.3220 8.4503 9.1110 9.2403 9.6577 9.8535 12.5394 12.6379 13.2350 13.2425 13.8818 13.9463 14.0024 14.0052 k = 0.5000-0.1501 0.5062 ( 2594 PWs) bands (ev): -38.0382 -38.0380 -17.0418 -17.0392 -16.5431 -16.5402 -16.5354 -16.5339 1.5627 1.5990 5.5470 5.6309 6.5328 6.8919 6.9755 7.0519 7.3690 7.8806 7.9585 8.2373 8.3103 8.4385 9.0611 9.1933 9.6859 9.8842 12.5750 12.6801 13.2625 13.2702 13.8519 13.9218 13.9902 13.9930 k = 0.5000-0.1386 0.5144 ( 2594 PWs) bands (ev): -38.0382 -38.0380 -17.0419 -17.0391 -16.5431 -16.5399 -16.5355 -16.5339 1.5647 1.6035 5.5681 5.6595 6.4936 6.8802 6.9810 6.9889 7.3847 7.8775 7.9728 8.2556 8.2983 8.4258 9.0129 9.1453 9.7145 9.9135 12.6139 12.7248 13.2900 13.2976 13.8197 13.8949 13.9765 13.9793 k = 0.5000-0.1270 0.5226 ( 2598 PWs) bands (ev): -38.0383 -38.0380 -17.0420 -17.0391 -16.5431 -16.5397 -16.5357 -16.5340 1.5668 1.6079 5.5909 5.6899 6.4532 6.8697 6.9250 6.9860 7.4021 7.8739 7.9877 8.2730 8.2858 8.4126 8.9669 9.0970 9.7427 9.9411 12.6559 12.7719 13.3175 13.3246 13.7851 13.8656 13.9611 13.9641 k = 0.5000-0.1155 0.5307 ( 2594 PWs) bands (ev): -38.0383 -38.0380 -17.0420 -17.0390 -16.5430 -16.5395 -16.5358 -16.5341 1.5689 1.6121 5.6153 5.7219 6.4120 6.8602 6.8613 6.9903 7.4206 7.8696 8.0034 8.2731 8.2889 8.3997 8.9238 9.0489 9.7701 9.9668 12.7008 12.8212 13.3448 13.3512 13.7482 13.8341 13.9443 13.9476 k = 0.5000-0.1039 0.5389 ( 2590 PWs) bands (ev): -38.0383 -38.0380 -17.0421 -17.0389 -16.5430 -16.5392 -16.5359 -16.5342 1.5710 1.6161 5.6413 5.7555 6.3702 6.7982 6.8516 6.9941 7.4398 7.8646 8.0198 8.2600 8.3024 8.3885 8.8842 9.0017 9.7960 9.9904 12.7485 12.8724 13.3717 13.3771 13.7090 13.8004 13.9262 13.9300 k = 0.5000-0.0924 0.5471 ( 2602 PWs) bands (ev): -38.0383 -38.0380 -17.0422 -17.0388 -16.5430 -16.5390 -16.5361 -16.5343 1.5729 1.6199 5.6686 5.7903 6.3283 6.7364 6.8440 6.9974 7.4595 7.8587 8.0369 8.2468 8.3107 8.3819 8.8483 8.9558 9.8200 10.0118 12.7986 12.9251 13.3979 13.4023 13.6677 13.7646 13.9071 13.9115 k = 0.5000-0.0808 0.5552 ( 2606 PWs) bands (ev): -38.0383 -38.0380 -17.0422 -17.0388 -16.5430 -16.5388 -16.5362 -16.5345 1.5748 1.6233 5.6971 5.8262 6.2864 6.6764 6.8374 7.0002 7.4793 7.8519 8.0545 8.2338 8.3102 8.3836 8.8167 8.9118 9.8418 10.0309 12.8508 12.9791 13.4232 13.4262 13.6245 13.7270 13.8871 13.8924 k = 0.5000-0.0693 0.5634 ( 2602 PWs) bands (ev): -38.0383 -38.0380 -17.0422 -17.0387 -16.5429 -16.5386 -16.5363 -16.5346 1.5765 1.6265 5.7265 5.8627 6.2451 6.6186 6.8316 7.0026 7.4990 7.8443 8.0726 8.2213 8.3014 8.3931 8.7893 8.8703 9.8612 10.0475 12.9047 13.0340 13.4467 13.4481 13.5804 13.6882 13.8667 13.8732 k = 0.5000-0.0577 0.5715 ( 2610 PWs) bands (ev): -38.0383 -38.0380 -17.0423 -17.0387 -16.5429 -16.5385 -16.5364 -16.5347 1.5780 1.6292 5.7566 5.8992 6.2048 6.5640 6.8268 7.0045 7.5178 7.8360 8.0911 8.2097 8.2878 8.4067 8.7664 8.8319 9.8779 10.0617 12.9599 13.0893 13.4641 13.4672 13.5386 13.6494 13.8463 13.8543 k = 0.5000-0.0462 0.5797 ( 2606 PWs) bands (ev): -38.0383 -38.0380 -17.0423 -17.0386 -16.5428 -16.5383 -16.5365 -16.5348 1.5793 1.6314 5.7866 5.9346 6.1663 6.5136 6.8228 7.0061 7.5354 7.8275 8.1097 8.1995 8.2720 8.4218 8.7478 8.7975 9.8918 10.0733 13.0159 13.1445 13.4564 13.4811 13.5170 13.6136 13.8267 13.8365 k = 0.5000-0.0346 0.5879 ( 2602 PWs) bands (ev): -38.0383 -38.0380 -17.0423 -17.0386 -16.5428 -16.5381 -16.5365 -16.5349 1.5803 1.6332 5.8155 5.9675 6.1307 6.4690 6.8198 7.0073 7.5508 7.8192 8.1282 8.1911 8.2552 8.4364 8.7335 8.7680 9.9027 10.0824 13.0722 13.1990 13.4162 13.4809 13.5240 13.5881 13.8087 13.8206 k = 0.5000-0.0231 0.5960 ( 2602 PWs) bands (ev): -38.0383 -38.0380 -17.0423 -17.0386 -16.5428 -16.5380 -16.5365 -16.5349 1.5810 1.6345 5.8413 5.9952 6.1001 6.4329 6.8176 7.0081 7.5631 7.8122 8.1459 8.1848 8.2387 8.4489 8.7234 8.7449 9.9106 10.0889 13.1276 13.2517 13.3674 13.4595 13.5353 13.5796 13.7938 13.8077 k = 0.5000-0.0115 0.6042 ( 2608 PWs) bands (ev): -38.0383 -38.0380 -17.0424 -17.0386 -16.5428 -16.5380 -16.5366 -16.5350 1.5815 1.6353 5.8604 6.0144 6.0780 6.4086 6.8163 7.0086 7.5711 7.8073 8.1610 8.1810 8.2242 8.4574 8.7173 8.7299 9.9153 10.0928 13.1790 13.2993 13.3192 13.4255 13.5435 13.5808 13.7837 13.7993 k = 0.5000-0.0000 0.6124 ( 2608 PWs) bands (ev): -38.0383 -38.0380 -17.0424 -17.0386 -16.5428 -16.5380 -16.5366 -16.5350 1.5816 1.6356 5.8678 6.0214 6.0697 6.4000 6.8158 7.0088 7.5738 7.8056 8.1679 8.1797 8.2174 8.4605 8.7153 8.7246 9.9169 10.0941 13.2081 13.2912 13.3253 13.4033 13.5465 13.5822 13.7801 13.7963 k = 0.5000-0.0000 0.6124 ( 2608 PWs) bands (ev): -38.0383 -38.0380 -17.0424 -17.0386 -16.5428 -16.5380 -16.5366 -16.5350 1.5816 1.6356 5.8678 6.0214 6.0697 6.4000 6.8158 7.0088 7.5738 7.8056 8.1679 8.1797 8.2174 8.4605 8.7153 8.7246 9.9169 10.0941 13.2081 13.2912 13.3253 13.4033 13.5465 13.5822 13.7801 13.7963 k = 0.4931 0.0120 0.6124 ( 2608 PWs) bands (ev): -38.0383 -38.0380 -17.0424 -17.0386 -16.5428 -16.5380 -16.5366 -16.5350 1.5813 1.6352 5.8637 6.0177 6.0740 6.4043 6.8157 7.0087 7.5715 7.8014 8.1522 8.1861 8.2331 8.4604 8.7113 8.7332 9.9166 10.0940 13.1915 13.3060 13.3115 13.4162 13.5463 13.5826 13.7831 13.7991 k = 0.4861 0.0241 0.6124 ( 2600 PWs) bands (ev): -38.0383 -38.0380 -17.0423 -17.0385 -16.5428 -16.5380 -16.5365 -16.5349 1.5805 1.6342 5.8527 6.0077 6.0855 6.4163 6.8153 7.0086 7.5650 7.7873 8.1277 8.2024 8.2608 8.4600 8.7053 8.7519 9.9156 10.0935 13.1570 13.2801 13.3383 13.4421 13.5464 13.5851 13.7908 13.8069 k = 0.4792 0.0361 0.6124 ( 2598 PWs) bands (ev): -38.0383 -38.0380 -17.0423 -17.0385 -16.5428 -16.5381 -16.5364 -16.5349 1.5792 1.6325 5.8372 5.9928 6.1024 6.4344 6.8143 7.0083 7.5552 7.7632 8.1070 8.2228 8.2930 8.4599 8.7002 8.7774 9.9139 10.0925 13.1167 13.2441 13.3732 13.4696 13.5478 13.5917 13.8016 13.8186 k = 0.4722 0.0481 0.6124 ( 2604 PWs) bands (ev): -38.0383 -38.0380 -17.0423 -17.0386 -16.5428 -16.5383 -16.5364 -16.5348 1.5775 1.6305 5.8191 5.9748 6.1228 6.4569 6.8125 7.0078 7.5430 7.7305 8.0907 8.2451 8.3282 8.4606 8.6964 8.8083 9.9115 10.0911 13.0743 13.2059 13.4081 13.4953 13.5516 13.6036 13.8141 13.8334 k = 0.4653 0.0601 0.6124 ( 2606 PWs) bands (ev): -38.0383 -38.0380 -17.0423 -17.0386 -16.5428 -16.5384 -16.5363 -16.5347 1.5756 1.6280 5.7999 5.9551 6.1454 6.4823 6.8097 7.0073 7.5290 7.6915 8.0783 8.2673 8.3649 8.4631 8.6946 8.8436 9.9084 10.0891 13.0310 13.1666 13.4413 13.5182 13.5589 13.6208 13.8278 13.8505 k = 0.4583 0.0722 0.6124 ( 2603 PWs) bands (ev): -38.0383 -38.0380 -17.0423 -17.0386 -16.5429 -16.5385 -16.5362 -16.5345 1.5735 1.6254 5.7805 5.9347 6.1695 6.5094 6.8059 7.0069 7.5137 7.6486 8.0687 8.2884 8.3990 8.4693 8.6956 8.8824 9.9048 10.0865 12.9880 13.1272 13.4719 13.5393 13.5700 13.6422 13.8422 13.8690 k = 0.4514 0.0842 0.6124 ( 2609 PWs) bands (ev): -38.0383 -38.0380 -17.0422 -17.0386 -16.5429 -16.5387 -16.5361 -16.5344 1.5713 1.6225 5.7616 5.9145 6.1945 6.5373 6.8011 7.0065 7.4974 7.6039 8.0613 8.3081 8.4242 8.4829 8.7011 8.9235 9.9006 10.0831 12.9457 13.0883 13.4991 13.5597 13.5850 13.6657 13.8573 13.8887 k = 0.4444 0.0962 0.6124 ( 2607 PWs) bands (ev): -38.0383 -38.0380 -17.0422 -17.0386 -16.5429 -16.5388 -16.5360 -16.5343 1.5690 1.6196 5.7436 5.8950 6.2201 6.5650 6.7956 7.0063 7.4797 7.5595 8.0555 8.3262 8.4375 8.5034 8.7129 8.9659 9.8961 10.0791 12.9050 13.0504 13.5233 13.5798 13.6038 13.6895 13.8729 13.9090 k = 0.4375 0.1083 0.6124 ( 2613 PWs) bands (ev): -38.0383 -38.0380 -17.0422 -17.0387 -16.5430 -16.5389 -16.5360 -16.5342 1.5668 1.6168 5.7268 5.8767 6.2462 6.5913 6.7901 7.0064 7.4581 7.5190 8.0511 8.3427 8.4444 8.5229 8.7326 9.0085 9.8915 10.0743 12.8662 13.0141 13.5458 13.5995 13.6253 13.7121 13.8890 13.9298 k = 0.4306 0.1203 0.6124 ( 2600 PWs) bands (ev): -38.0383 -38.0380 -17.0421 -17.0386 -16.5429 -16.5390 -16.5359 -16.5340 1.5647 1.6140 5.7113 5.8598 6.2725 6.6142 6.7864 7.0067 7.4282 7.4882 8.0477 8.3575 8.4491 8.5360 8.7599 9.0502 9.8870 10.0687 12.8300 12.9799 13.5675 13.6191 13.6475 13.7325 13.9055 13.9508 k = 0.4236 0.1323 0.6124 ( 2602 PWs) bands (ev): -38.0383 -38.0380 -17.0421 -17.0387 -16.5430 -16.5391 -16.5358 -16.5339 1.5627 1.6114 5.6973 5.8444 6.2989 6.6310 6.7871 7.0073 7.3895 7.4683 8.0452 8.3706 8.4535 8.5425 8.7924 9.0899 9.8828 10.0625 12.7968 12.9483 13.5890 13.6387 13.6688 13.7502 13.9222 13.9718 k = 0.4167 0.1443 0.6124 ( 2601 PWs) bands (ev): -38.0383 -38.0380 -17.0421 -17.0387 -16.5430 -16.5392 -16.5358 -16.5338 1.5609 1.6089 5.6850 5.8309 6.3251 6.6390 6.7948 7.0081 7.3472 7.4546 8.0432 8.3819 8.4582 8.5438 8.8268 9.1265 9.8793 10.0557 12.7670 12.9198 13.6103 13.6580 13.6881 13.7648 13.9387 13.9924 k = 0.4097 0.1564 0.6124 ( 2607 PWs) bands (ev): -38.0383 -38.0380 -17.0421 -17.0387 -16.5430 -16.5393 -16.5357 -16.5337 1.5593 1.6068 5.6745 5.8193 6.3507 6.6376 6.8103 7.0091 7.3051 7.4445 8.0418 8.3911 8.4638 8.5418 8.8604 9.1591 9.8766 10.0485 12.7410 12.8949 13.6310 13.6762 13.7050 13.7762 13.9545 14.0123 k = 0.4028 0.1684 0.6124 ( 2607 PWs) bands (ev): -38.0383 -38.0380 -17.0421 -17.0387 -16.5431 -16.5394 -16.5357 -16.5336 1.5580 1.6050 5.6657 5.8097 6.3753 6.6290 6.8311 7.0101 7.2650 7.4367 8.0408 8.3983 8.4703 8.5374 8.8907 9.1868 9.8748 10.0415 12.7192 12.8738 13.6505 13.6926 13.7191 13.7845 13.9690 14.0307 k = 0.3958 0.1804 0.6124 ( 2607 PWs) bands (ev): -38.0383 -38.0380 -17.0420 -17.0387 -16.5431 -16.5394 -16.5357 -16.5336 1.5569 1.6036 5.6589 5.8022 6.3980 6.6166 6.8537 7.0111 7.2288 7.4309 8.0401 8.4035 8.4775 8.5316 8.9161 9.2088 9.8739 10.0349 12.7019 12.8571 13.6676 13.7062 13.7305 13.7900 13.9814 14.0470 k = 0.3889 0.1925 0.6124 ( 2605 PWs) bands (ev): -38.0383 -38.0380 -17.0420 -17.0387 -16.5431 -16.5394 -16.5356 -16.5335 1.5561 1.6025 5.6540 5.7968 6.4173 6.6037 6.8746 7.0121 7.1988 7.4269 8.0396 8.4070 8.4851 8.5250 8.9353 9.2249 9.8737 10.0296 12.6893 12.8449 13.6814 13.7161 13.7392 13.7932 13.9911 14.0602 k = 0.3819 0.2045 0.6124 ( 2604 PWs) bands (ev): -38.0383 -38.0380 -17.0420 -17.0387 -16.5431 -16.5394 -16.5356 -16.5335 1.5556 1.6019 5.6510 5.7936 6.4310 6.5935 6.8897 7.0129 7.1783 7.4245 8.0394 8.4090 8.4920 8.5187 8.9472 9.2345 9.8737 10.0260 12.6817 12.8375 13.6905 13.7218 13.7448 13.7946 13.9972 14.0689 k = 0.3750 0.2165 0.6124 ( 2600 PWs) bands (ev): -38.0383 -38.0380 -17.0420 -17.0387 -16.5431 -16.5394 -16.5356 -16.5334 1.5555 1.6016 5.6501 5.7925 6.4360 6.5896 6.8953 7.0132 7.1709 7.4237 8.0393 8.4097 8.4954 8.5156 8.9513 9.2378 9.8738 10.0248 12.6792 12.8350 13.6937 13.7236 13.7469 13.7949 13.9994 14.0720 k = 0.3750 0.2165 0.6124 ( 2600 PWs) bands (ev): -38.0383 -38.0380 -17.0420 -17.0387 -16.5431 -16.5394 -16.5356 -16.5334 1.5555 1.6016 5.6501 5.7925 6.4360 6.5896 6.8953 7.0132 7.1709 7.4237 8.0393 8.4097 8.4954 8.5156 8.9513 9.2378 9.8738 10.0248 12.6792 12.8350 13.6937 13.7236 13.7469 13.7949 13.9994 14.0720 k = 0.3679 0.2124 0.6008 ( 2600 PWs) bands (ev): -38.0383 -38.0380 -17.0420 -17.0386 -16.5430 -16.5394 -16.5355 -16.5334 1.5522 1.5995 5.6693 5.8224 6.4082 6.5466 6.8566 7.0180 7.1391 7.4194 8.0410 8.4056 8.5123 8.5291 8.9594 9.2156 9.9109 10.0632 12.7135 12.8726 13.6836 13.7550 13.8011 13.8146 13.9998 14.0760 k = 0.3608 0.2083 0.5893 ( 2604 PWs) bands (ev): -38.0383 -38.0380 -17.0420 -17.0386 -16.5430 -16.5394 -16.5354 -16.5333 1.5477 1.5959 5.6874 5.8511 6.3818 6.5029 6.8222 7.0236 7.1063 7.4176 8.0446 8.3998 8.5041 8.5646 8.9747 9.1952 9.9488 10.1022 12.7495 12.9108 13.6646 13.7485 13.8619 13.8658 14.0108 14.0857 k = 0.3538 0.2043 0.5777 ( 2604 PWs) bands (ev): -38.0384 -38.0381 -17.0420 -17.0385 -16.5430 -16.5394 -16.5353 -16.5333 1.5419 1.5907 5.7038 5.8778 6.3578 6.4600 6.7919 7.0300 7.0732 7.4175 8.0504 8.3935 8.4919 8.6006 8.9959 9.1768 9.9874 10.1416 12.7870 12.9490 13.6466 13.7387 13.9005 13.9130 14.0458 14.1061 k = 0.3467 0.2002 0.5662 ( 2604 PWs) bands (ev): -38.0384 -38.0381 -17.0419 -17.0384 -16.5429 -16.5394 -16.5351 -16.5332 1.5347 1.5838 5.7179 5.9014 6.3367 6.4194 6.7657 7.0374 7.0408 7.4188 8.0585 8.3870 8.4767 8.6362 9.0215 9.1608 10.0268 10.1814 12.8260 12.9871 13.6311 13.7313 13.9114 13.9460 14.1056 14.1374 k = 0.3396 0.1961 0.5546 ( 2604 PWs) bands (ev): -38.0384 -38.0381 -17.0419 -17.0384 -16.5429 -16.5395 -16.5349 -16.5331 1.5257 1.5749 5.7293 5.9205 6.3196 6.3827 6.7434 7.0093 7.0458 7.4211 8.0689 8.3807 8.4594 8.6710 9.0505 9.1476 10.0668 10.2216 12.8660 13.0244 13.6191 13.7274 13.9098 13.9612 14.1573 14.1617 k = 0.3325 0.1920 0.5430 ( 2612 PWs) bands (ev): -38.0384 -38.0381 -17.0419 -17.0383 -16.5428 -16.5395 -16.5347 -16.5330 1.5150 1.5640 5.7374 5.9336 6.3069 6.3516 6.7251 6.9791 7.0555 7.4244 8.0814 8.3746 8.4408 8.7041 9.0819 9.1376 10.1075 10.2621 12.9066 13.0604 13.6112 13.7281 13.9031 13.9650 14.1627 14.1739 k = 0.3255 0.1879 0.5315 ( 2604 PWs) bands (ev): -38.0384 -38.0381 -17.0418 -17.0382 -16.5427 -16.5396 -16.5344 -16.5329 1.5024 1.5510 5.7423 5.9396 6.2992 6.3274 6.7109 6.9504 7.0666 7.4286 8.0961 8.3688 8.4217 8.7350 9.1150 9.1316 10.1487 10.3031 12.9475 13.0944 13.6083 13.7337 13.8943 13.9623 14.1651 14.1781 k = 0.3184 0.1838 0.5199 ( 2604 PWs) bands (ev): -38.0385 -38.0381 -17.0417 -17.0382 -16.5426 -16.5396 -16.5342 -16.5328 1.4878 1.5357 5.7440 5.9380 6.2965 6.3103 6.7008 6.9233 7.0793 7.4337 8.1125 8.3632 8.4028 8.7629 9.1304 9.1493 10.1905 10.3444 12.9877 13.1259 13.6113 13.7444 13.8851 13.9558 14.1675 14.1829 k = 0.3113 0.1797 0.5084 ( 2602 PWs) bands (ev): -38.0385 -38.0382 -17.0416 -17.0381 -16.5425 -16.5396 -16.5339 -16.5327 1.4710 1.5180 5.7430 5.9293 6.2984 6.2996 6.6952 6.8980 7.0938 7.4395 8.1301 8.3580 8.3849 8.7869 9.1348 9.1846 10.2329 10.3861 13.0265 13.1542 13.6210 13.7589 13.8776 13.9466 14.1707 14.1892 k = 0.3042 0.1757 0.4968 ( 2602 PWs) bands (ev): -38.0385 -38.0382 -17.0415 -17.0381 -16.5424 -16.5397 -16.5337 -16.5325 1.4520 1.4978 5.7401 5.9154 6.2933 6.3044 6.6938 6.8743 7.1104 7.4462 8.1475 8.3531 8.3696 8.8065 9.1455 9.2204 10.2757 10.4280 13.0631 13.1790 13.6384 13.7732 13.8762 13.9356 14.1749 14.1974 k = 0.2972 0.1716 0.4853 ( 2606 PWs) bands (ev): -38.0385 -38.0382 -17.0414 -17.0380 -16.5423 -16.5397 -16.5334 -16.5324 1.4307 1.4752 5.7360 5.8984 6.2896 6.3138 6.6965 6.8526 7.1292 7.4537 8.1626 8.3485 8.3591 8.8216 9.1629 9.2568 10.3189 10.4703 13.0969 13.2004 13.6638 13.7800 13.8882 13.9231 14.1803 14.2079 k = 0.2901 0.1675 0.4737 ( 2606 PWs) bands (ev): -38.0385 -38.0383 -17.0413 -17.0380 -16.5422 -16.5397 -16.5332 -16.5323 1.4072 1.4501 5.7317 5.8801 6.2866 6.3255 6.7027 6.8327 7.1505 7.4620 8.1723 8.3441 8.3567 8.8326 9.1866 9.2936 10.3626 10.5129 13.1272 13.2187 13.6972 13.7755 13.9099 13.9167 14.1870 14.2207 k = 0.2830 0.1634 0.4622 ( 2606 PWs) bands (ev): -38.0386 -38.0383 -17.0412 -17.0379 -16.5420 -16.5397 -16.5329 -16.5321 1.3813 1.4225 5.7280 5.8621 6.2833 6.3388 6.7117 6.8146 7.1745 7.4711 8.1736 8.3399 8.3655 8.8405 9.2161 9.3308 10.4068 10.5558 13.1542 13.2344 13.7374 13.7629 13.8970 13.9571 14.1948 14.2361 k = 0.2759 0.1593 0.4506 ( 2608 PWs) bands (ev): -38.0386 -38.0383 -17.0411 -17.0379 -16.5418 -16.5397 -16.5327 -16.5320 1.3531 1.3924 5.7255 5.8456 6.2793 6.3529 6.7225 6.7985 7.2012 7.4810 8.1660 8.3358 8.3862 8.8465 9.2506 9.3685 10.4513 10.5989 13.1781 13.2480 13.7459 13.7800 13.8882 14.0044 14.2038 14.2545 k = 0.2689 0.1552 0.4391 ( 2604 PWs) bands (ev): -38.0386 -38.0384 -17.0409 -17.0379 -16.5416 -16.5396 -16.5325 -16.5319 1.3227 1.3601 5.7248 5.8314 6.2744 6.3670 6.7342 6.7844 7.2306 7.4916 8.1514 8.3317 8.4169 8.8517 9.2893 9.4068 10.4962 10.6423 13.1995 13.2602 13.7261 13.8095 13.8980 14.0545 14.2137 14.2758 k = 0.2618 0.1511 0.4275 ( 2618 PWs) bands (ev): -38.0387 -38.0384 -17.0408 -17.0379 -16.5415 -16.5395 -16.5323 -16.5318 1.2902 1.3254 5.7263 5.8198 6.2688 6.3806 6.7459 6.7722 7.2626 7.5029 8.1324 8.3276 8.4551 8.8571 9.3315 9.4457 10.5413 10.6858 13.2189 13.2714 13.7045 13.8097 13.9409 14.1041 14.2245 14.2994 k = 0.2547 0.1471 0.4160 ( 2622 PWs) bands (ev): -38.0387 -38.0385 -17.0407 -17.0378 -16.5412 -16.5394 -16.5321 -16.5316 1.2555 1.2887 5.7302 5.8113 6.2627 6.3933 6.7570 6.7618 7.2968 7.5150 8.1107 8.3232 8.4992 8.8639 9.3769 9.4855 10.5867 10.7295 13.2371 13.2822 13.6814 13.7952 14.0005 14.1502 14.2356 14.3224 k = 0.2476 0.1430 0.4044 ( 2622 PWs) bands (ev): -38.0387 -38.0385 -17.0405 -17.0378 -16.5410 -16.5393 -16.5319 -16.5315 1.2190 1.2499 5.7369 5.8061 6.2563 6.4048 6.7533 6.7671 7.3329 7.5276 8.0873 8.3184 8.5483 8.8728 9.4252 9.5262 10.6324 10.7734 13.2544 13.2928 13.6571 13.7757 14.0638 14.1910 14.2465 14.3375 k = 0.2406 0.1389 0.3928 ( 2610 PWs) bands (ev): -38.0388 -38.0385 -17.0403 -17.0377 -16.5407 -16.5391 -16.5317 -16.5314 1.1807 1.2095 5.7462 5.8041 6.2501 6.4148 6.7465 6.7758 7.3703 7.5408 8.0629 8.3132 8.6018 8.8847 9.4763 9.5682 10.6784 10.8174 13.2713 13.3036 13.6318 13.7540 14.1235 14.2261 14.2562 14.3344 k = 0.2335 0.1348 0.3813 ( 2612 PWs) bands (ev): -38.0388 -38.0386 -17.0401 -17.0376 -16.5404 -16.5390 -16.5315 -16.5312 1.1407 1.1673 5.7583 5.8052 6.2440 6.4233 6.7411 6.7831 7.4085 7.5543 8.0381 8.3073 8.6593 8.9002 9.5298 9.6115 10.7244 10.8614 13.2879 13.3145 13.6058 13.7310 14.1704 14.2544 14.2641 14.3086 k = 0.2264 0.1307 0.3697 ( 2614 PWs) bands (ev): -38.0388 -38.0386 -17.0399 -17.0376 -16.5401 -16.5388 -16.5314 -16.5311 1.0993 1.1238 5.7731 5.8095 6.2382 6.4303 6.7369 6.7887 7.4469 7.5682 8.0131 8.3006 8.7205 8.9200 9.5860 9.6564 10.7706 10.9054 13.3043 13.3259 13.5793 13.7071 14.1896 14.2469 14.2749 14.2941 k = 0.2193 0.1266 0.3582 ( 2612 PWs) bands (ev): -38.0389 -38.0387 -17.0397 -17.0375 -16.5398 -16.5386 -16.5312 -16.5310 1.0567 1.0792 5.7904 5.8168 6.2330 6.4359 6.7337 6.7929 7.4848 7.5823 7.9882 8.2931 8.7853 8.9445 9.6447 9.7030 10.8168 10.9493 13.3204 13.3374 13.5525 13.6828 14.1724 14.1877 14.2928 14.3150 k = 0.2123 0.1226 0.3466 ( 2620 PWs) bands (ev): -38.0389 -38.0387 -17.0396 -17.0375 -16.5395 -16.5383 -16.5311 -16.5309 1.0131 1.0335 5.8101 5.8268 6.2284 6.4404 6.7312 6.7957 7.5218 7.5964 7.9635 8.2846 8.8535 8.9744 9.7059 9.7516 10.8629 10.9930 13.3360 13.3491 13.5258 13.6585 14.1172 14.1300 14.3116 14.3372 k = 0.2052 0.1185 0.3351 ( 2615 PWs) bands (ev): -38.0390 -38.0388 -17.0394 -17.0374 -16.5391 -16.5381 -16.5309 -16.5308 0.9686 0.9871 5.8320 5.8394 6.2246 6.4439 6.7291 6.7972 7.5573 7.6104 7.9394 8.2751 8.9250 9.0099 9.7697 9.8023 10.9089 11.0365 13.3507 13.3605 13.4997 13.6347 14.0418 14.0740 14.3282 14.3578 k = 0.1981 0.1144 0.3235 ( 2615 PWs) bands (ev): -38.0390 -38.0388 -17.0392 -17.0374 -16.5387 -16.5378 -16.5308 -16.5307 0.9235 0.9402 5.8543 5.8558 6.2215 6.4465 6.7273 6.7975 7.5909 7.6242 7.9159 8.2646 8.9997 9.0513 9.8360 9.8552 10.9547 11.0797 13.3636 13.3707 13.4755 13.6122 13.9639 14.0112 14.3425 14.3764 k = 0.1910 0.1103 0.3120 ( 2615 PWs) bands (ev): -38.0390 -38.0389 -17.0390 -17.0373 -16.5383 -16.5375 -16.5307 -16.5306 0.8780 0.8930 5.8712 5.8813 6.2192 6.4486 6.7256 6.7968 7.6222 7.6376 7.8933 8.2532 9.0775 9.0987 9.9049 9.9105 11.0002 11.1225 13.3735 13.3772 13.4557 13.5921 13.8849 13.9454 14.3545 14.3926 k = 0.1840 0.1062 0.3004 ( 2615 PWs) bands (ev): -38.0391 -38.0390 -17.0388 -17.0372 -16.5380 -16.5372 -16.5306 -16.5305 0.8323 0.8457 5.8899 5.9082 6.2177 6.4502 6.7238 6.7953 7.6505 7.6512 7.8715 8.2408 9.1522 9.1584 9.9682 9.9763 11.0454 11.1647 13.3751 13.3787 13.4454 13.5759 13.8055 13.8792 14.3642 14.4062 k = 0.1769 0.1021 0.2889 ( 2615 PWs) bands (ev): -38.0391 -38.0390 -17.0386 -17.0372 -16.5375 -16.5369 -16.5305 -16.5305 0.7867 0.7986 5.9100 5.9362 6.2170 6.4514 6.7220 6.7930 7.6627 7.6776 7.8509 8.2276 9.2116 9.2421 10.0285 10.0502 11.0899 11.2063 13.3620 13.3771 13.4472 13.5656 13.7265 13.8145 14.3714 14.4167 k = 0.1698 0.0980 0.2773 ( 2617 PWs) bands (ev): -38.0392 -38.0391 -17.0384 -17.0371 -16.5371 -16.5365 -16.5304 -16.5304 0.7413 0.7518 5.9314 5.9651 6.2172 6.4524 6.7200 6.7903 7.6743 7.7014 7.8315 8.2135 9.2770 9.3286 10.0912 10.1265 11.1339 11.2472 13.3428 13.3670 13.4563 13.5621 13.6484 13.7527 14.3760 14.4238 k = 0.1627 0.0940 0.2657 ( 2617 PWs) bands (ev): -38.0392 -38.0391 -17.0382 -17.0370 -16.5367 -16.5362 -16.5303 -16.5303 0.6963 0.7055 5.9538 5.9945 6.2181 6.4530 6.7181 6.7871 7.6850 7.7227 7.8134 8.1988 9.3480 9.4179 10.1565 10.2050 11.1771 11.2871 13.3217 13.3483 13.4686 13.5649 13.5715 13.6955 14.3776 14.4271 k = 0.1557 0.0899 0.2542 ( 2609 PWs) bands (ev): -38.0393 -38.0392 -17.0379 -17.0369 -16.5363 -16.5358 -16.5303 -16.5302 0.6519 0.6599 5.9768 6.0241 6.2199 6.4534 6.7164 6.7838 7.6947 7.7415 7.7968 8.1834 9.4245 9.5097 10.2243 10.2857 11.2194 11.3262 13.3010 13.3220 13.4822 13.4963 13.5711 13.6452 14.3761 14.4264 k = 0.1486 0.0858 0.2426 ( 2619 PWs) bands (ev): -38.0393 -38.0392 -17.0378 -17.0369 -16.5359 -16.5354 -16.5303 -16.5302 0.6082 0.6152 6.0001 6.0536 6.2224 6.4534 6.7148 6.7804 7.7034 7.7580 7.7818 8.1675 9.5059 9.6039 10.2944 10.3682 11.2606 11.3640 13.2813 13.2894 13.4229 13.4965 13.5708 13.6110 14.3713 14.4214 k = 0.1415 0.0817 0.2311 ( 2623 PWs) bands (ev): -38.0393 -38.0393 -17.0376 -17.0368 -16.5354 -16.5351 -16.5302 -16.5302 0.5656 0.5716 6.0236 6.0827 6.2256 6.4531 6.7137 6.7771 7.7108 7.7687 7.7722 8.1510 9.5921 9.7004 10.3666 10.4525 11.3007 11.4007 13.2517 13.2631 13.3524 13.5107 13.5459 13.6104 14.3631 14.4120 k = 0.1344 0.0776 0.2195 ( 2621 PWs) bands (ev): -38.0394 -38.0393 -17.0374 -17.0367 -16.5350 -16.5347 -16.5302 -16.5302 0.5240 0.5291 6.0470 6.1111 6.2296 6.4523 6.7133 6.7740 7.7166 7.7581 7.7844 8.1341 9.6827 9.7991 10.4408 10.5381 11.3396 11.4361 13.2101 13.2446 13.2869 13.5163 13.5248 13.6228 14.3514 14.3980 k = 0.1274 0.0735 0.2080 ( 2619 PWs) bands (ev): -38.0394 -38.0394 -17.0373 -17.0366 -16.5346 -16.5343 -16.5302 -16.5301 0.4838 0.4881 6.0700 6.1384 6.2341 6.4509 6.7137 6.7714 7.7196 7.7508 7.7948 8.1168 9.7774 9.8997 10.5168 10.6247 11.3770 11.4701 13.1659 13.2070 13.2460 13.4915 13.5386 13.6377 14.3363 14.3796 k = 0.1203 0.0694 0.1964 ( 2619 PWs) bands (ev): -38.0395 -38.0394 -17.0371 -17.0366 -16.5342 -16.5339 -16.5302 -16.5301 0.4449 0.4485 6.0925 6.1645 6.2392 6.4488 6.7151 6.7693 7.7190 7.7481 7.8034 8.0991 9.8757 10.0019 10.5943 10.7120 11.4131 11.5026 13.1203 13.1476 13.2329 13.4725 13.5519 13.6533 14.3178 14.3567 k = 0.1132 0.0654 0.1849 ( 2631 PWs) bands (ev): -38.0395 -38.0395 -17.0370 -17.0365 -16.5338 -16.5336 -16.5302 -16.5301 0.4076 0.4106 6.1143 6.1890 6.2447 6.4460 6.7176 6.7679 7.7156 7.7490 7.8104 8.0812 9.9771 10.1054 10.6730 10.7993 11.4477 11.5337 13.0745 13.0882 13.2265 13.4590 13.5645 13.6690 14.2960 14.3294 k = 0.1061 0.0613 0.1733 ( 2631 PWs) bands (ev): -38.0395 -38.0395 -17.0368 -17.0364 -16.5334 -16.5332 -16.5302 -16.5301 0.3719 0.3744 6.1351 6.2118 6.2506 6.4424 6.7213 6.7672 7.7116 7.7517 7.8160 8.0630 10.0813 10.2098 10.7526 10.8863 11.4809 11.5633 13.0295 13.0316 13.2245 13.4508 13.5764 13.6845 14.2710 14.2979 k = 0.0991 0.0572 0.1618 ( 2631 PWs) bands (ev): -38.0396 -38.0396 -17.0367 -17.0364 -16.5330 -16.5329 -16.5301 -16.5301 0.3380 0.3400 6.1549 6.2327 6.2569 6.4380 6.7262 6.7673 7.7082 7.7548 7.8203 8.0447 10.1876 10.3145 10.8329 10.9723 11.5128 11.5914 12.9784 12.9859 13.2268 13.4473 13.5874 13.6996 14.2431 14.2624 k = 0.0920 0.0531 0.1502 ( 2635 PWs) bands (ev): -38.0396 -38.0396 -17.0365 -17.0363 -16.5326 -16.5325 -16.5302 -16.5301 0.3061 0.3077 6.1737 6.2516 6.2634 6.4329 6.7322 6.7682 7.7059 7.7579 7.8234 8.0262 10.2954 10.4189 10.9137 11.0566 11.5435 11.6182 12.9290 12.9444 13.2333 13.4485 13.5973 13.7142 14.2125 14.2231 k = 0.0849 0.0490 0.1387 ( 2635 PWs) bands (ev): -38.0397 -38.0396 -17.0364 -17.0362 -16.5323 -16.5322 -16.5302 -16.5301 0.2761 0.2773 6.1913 6.2684 6.2700 6.4271 6.7392 6.7700 7.7050 7.7609 7.8254 8.0076 10.4039 10.5219 10.9948 11.1386 11.5735 11.6437 12.8837 12.9052 13.2441 13.4540 13.6061 13.7281 14.1794 14.1803 k = 0.0778 0.0449 0.1271 ( 2649 PWs) bands (ev): -38.0397 -38.0397 -17.0363 -17.0362 -16.5320 -16.5320 -16.5302 -16.5301 0.2482 0.2491 6.2078 6.2766 6.2832 6.4206 6.7470 6.7725 7.7055 7.7638 7.8264 7.9890 10.5121 10.6223 11.0764 11.2174 11.6030 11.6681 12.8425 12.8686 13.2593 13.4635 13.6135 13.7412 14.1343 14.1442 k = 0.0708 0.0409 0.1155 ( 2657 PWs) bands (ev): -38.0397 -38.0397 -17.0363 -17.0362 -16.5317 -16.5317 -16.5302 -16.5302 0.2224 0.2231 6.2232 6.2832 6.2958 6.4136 6.7552 6.7757 7.7075 7.7665 7.8266 7.9704 10.6187 10.7189 11.1585 11.2927 11.6324 11.6914 12.8057 12.8347 13.2788 13.4767 13.6196 13.7534 14.0855 14.1072 k = 0.0637 0.0368 0.1040 ( 2665 PWs) bands (ev): -38.0397 -38.0397 -17.0362 -17.0361 -16.5315 -16.5315 -16.5302 -16.5302 0.1989 0.1994 6.2375 6.2897 6.3066 6.4062 6.7636 6.7795 7.7109 7.7693 7.8259 7.9519 10.7222 10.8097 11.2416 11.3640 11.6618 11.7138 12.7733 12.8033 13.3025 13.4931 13.6240 13.7644 14.0344 14.0689 k = 0.0566 0.0327 0.0924 ( 2661 PWs) bands (ev): -38.0398 -38.0398 -17.0361 -17.0360 -16.5312 -16.5312 -16.5302 -16.5302 0.1777 0.1780 6.2508 6.2960 6.3154 6.3985 6.7719 6.7837 7.7158 7.7721 7.8246 7.9335 10.8205 10.8931 11.3260 11.4319 11.6913 11.7352 12.7449 12.7742 13.3304 13.5124 13.6269 13.7738 13.9817 14.0298 k = 0.0495 0.0286 0.0809 ( 2663 PWs) bands (ev): -38.0398 -38.0398 -17.0360 -17.0360 -16.5310 -16.5310 -16.5302 -16.5302 0.1588 0.1591 6.2632 6.3020 6.3225 6.3906 6.7799 6.7881 7.7221 7.7749 7.8227 7.9153 10.9113 10.9674 11.4114 11.4969 11.7205 11.7555 12.7202 12.7468 13.3621 13.5337 13.6281 13.7809 13.9284 13.9898 k = 0.0425 0.0245 0.0693 ( 2661 PWs) bands (ev): -38.0398 -38.0398 -17.0360 -17.0359 -16.5308 -16.5308 -16.5302 -16.5302 0.1424 0.1425 6.2748 6.3077 6.3279 6.3825 6.7872 6.7926 7.7296 7.7779 7.8202 7.8973 10.9919 11.0315 11.4971 11.5603 11.7484 11.7745 12.6984 12.7207 13.3973 13.5563 13.6276 13.7845 13.8759 13.9482 k = 0.0354 0.0204 0.0578 ( 2661 PWs) bands (ev): -38.0398 -38.0398 -17.0359 -17.0359 -16.5306 -16.5306 -16.5302 -16.5302 0.1284 0.1285 6.2857 6.3131 6.3317 6.3743 6.7936 6.7969 7.7385 7.7810 7.8173 7.8797 11.0601 11.0850 11.5812 11.6230 11.7739 11.7918 12.6784 12.6954 13.4358 13.5790 13.6260 13.7827 13.8262 13.9023 k = 0.0283 0.0163 0.0462 ( 2661 PWs) bands (ev): -38.0398 -38.0398 -17.0359 -17.0359 -16.5305 -16.5305 -16.5302 -16.5302 0.1169 0.1169 6.2960 6.3181 6.3342 6.3661 6.7991 6.8008 7.7485 7.7843 7.8141 7.8625 11.1146 11.1279 11.6607 11.6844 11.7959 11.8070 12.6595 12.6706 13.4770 13.6006 13.6241 13.7731 13.7815 13.8496 k = 0.0212 0.0123 0.0347 ( 2661 PWs) bands (ev): -38.0399 -38.0399 -17.0358 -17.0358 -16.5304 -16.5304 -16.5302 -16.5302 0.1079 0.1079 6.3057 6.3226 6.3354 6.3578 6.8034 6.8041 7.7596 7.7878 7.8105 7.8457 11.1550 11.1608 11.7313 11.7420 11.8135 11.8197 12.6413 12.6470 13.5202 13.6201 13.6237 13.7438 13.7547 13.7933 k = 0.0142 0.0082 0.0231 ( 2661 PWs) bands (ev): -38.0399 -38.0399 -17.0358 -17.0358 -16.5303 -16.5303 -16.5302 -16.5302 0.1014 0.1015 6.3150 6.3265 6.3354 6.3495 6.8064 6.8066 7.7718 7.7915 7.8068 7.8295 11.1824 11.1841 11.7876 11.7908 11.8262 11.8292 12.6247 12.6267 13.5648 13.6272 13.6368 13.7139 13.7275 13.7412 k = 0.0071 0.0041 0.0116 ( 2653 PWs) bands (ev): -38.0399 -38.0399 -17.0358 -17.0358 -16.5302 -16.5302 -16.5302 -16.5302 0.0976 0.0976 6.3239 6.3299 6.3345 6.3411 6.8083 6.8083 7.7850 7.7953 7.8030 7.8140 11.1979 11.1982 11.8243 11.8245 11.8340 11.8351 12.6124 12.6127 13.6094 13.6374 13.6502 13.6918 13.6920 13.7001 k = 0.0000 0.0000 0.0000 ( 2637 PWs) bands (ev): -38.0399 -38.0399 -17.0357 -17.0357 -16.5301 -16.5301 -16.5301 -16.5301 0.0963 0.0963 6.3326 6.3326 6.3326 6.3326 6.8089 6.8089 7.7992 7.7992 7.7992 7.7992 11.2030 11.2030 11.8368 11.8368 11.8368 11.8368 12.6077 12.6077 13.6525 13.6525 13.6525 13.6525 13.6802 13.6802 k = 0.0000 0.0000 0.0000 ( 2637 PWs) bands (ev): -38.0399 -38.0399 -17.0357 -17.0357 -16.5301 -16.5301 -16.5301 -16.5301 0.0963 0.0963 6.3326 6.3326 6.3326 6.3326 6.8089 6.8089 7.7992 7.7992 7.7992 7.7992 11.2030 11.2030 11.8368 11.8368 11.8368 11.8368 12.6077 12.6077 13.6525 13.6525 13.6525 13.6525 13.6802 13.6802 k = 0.0114 0.0066 0.0046 ( 2649 PWs) bands (ev): -38.0399 -38.0399 -17.0357 -17.0357 -16.5302 -16.5302 -16.5302 -16.5302 0.0975 0.0975 6.3238 6.3322 6.3322 6.3413 6.8083 6.8083 7.7848 7.7991 7.7991 7.8143 11.1982 11.1982 11.8242 11.8242 11.8346 11.8357 12.6124 12.6124 13.6096 13.6437 13.6437 13.6930 13.6953 13.6953 k = 0.0227 0.0131 0.0093 ( 2655 PWs) bands (ev): -38.0399 -38.0399 -17.0358 -17.0358 -16.5303 -16.5303 -16.5302 -16.5302 0.1013 0.1013 6.3149 6.3310 6.3310 6.3498 6.8066 6.8066 7.7714 7.7990 7.7990 7.8301 11.1838 11.1838 11.7888 11.7888 11.8291 11.8314 12.6250 12.6250 13.5670 13.6296 13.6296 13.7267 13.7284 13.7284 k = 0.0341 0.0197 0.0139 ( 2661 PWs) bands (ev): -38.0399 -38.0399 -17.0358 -17.0358 -16.5304 -16.5304 -16.5302 -16.5302 0.1075 0.1075 6.3060 6.3289 6.3289 6.3580 6.8038 6.8038 7.7589 7.7989 7.7989 7.8467 11.1587 11.1587 11.7364 11.7364 11.8201 11.8241 12.6425 12.6425 13.5261 13.6144 13.6144 13.7479 13.7744 13.7744 k = 0.0455 0.0262 0.0186 ( 2661 PWs) bands (ev): -38.0398 -38.0398 -17.0359 -17.0359 -16.5305 -16.5305 -16.5302 -16.5302 0.1162 0.1162 6.2972 6.3260 6.3260 6.3660 6.8000 6.8000 7.7475 7.7988 7.7988 7.8639 11.1214 11.1214 11.6741 11.6741 11.8076 11.8140 12.6615 12.6615 13.4877 13.5987 13.5987 13.7529 13.8315 13.8315 k = 0.0568 0.0328 0.0232 ( 2661 PWs) bands (ev): -38.0398 -38.0398 -17.0359 -17.0359 -16.5306 -16.5306 -16.5302 -16.5302 0.1274 0.1274 6.2884 6.3221 6.3221 6.3736 6.7953 6.7953 7.7371 7.7985 7.7985 7.8817 11.0703 11.0703 11.6086 11.6086 11.7916 11.8011 12.6799 12.6799 13.4525 13.5832 13.5832 13.7448 13.8966 13.8966 k = 0.0682 0.0394 0.0278 ( 2661 PWs) bands (ev): -38.0398 -38.0398 -17.0359 -17.0359 -16.5308 -16.5308 -16.5302 -16.5301 0.1409 0.1409 6.2798 6.3174 6.3174 6.3808 6.7897 6.7897 7.7279 7.7981 7.7981 7.9000 11.0040 11.0040 11.5453 11.5453 11.7721 11.7857 12.6967 12.6967 13.4207 13.5683 13.5683 13.7292 13.9664 13.9664 k = 0.0795 0.0459 0.0325 ( 2664 PWs) bands (ev): -38.0398 -38.0398 -17.0360 -17.0360 -16.5310 -16.5310 -16.5301 -16.5301 0.1569 0.1569 6.2713 6.3116 6.3116 6.3876 6.7833 6.7833 7.7199 7.7976 7.7976 7.9186 10.9227 10.9227 11.4873 11.4873 11.7492 11.7679 12.7115 12.7115 13.3927 13.5547 13.5547 13.7107 14.0383 14.0383 k = 0.0909 0.0525 0.0371 ( 2661 PWs) bands (ev): -38.0398 -38.0398 -17.0361 -17.0361 -16.5312 -16.5312 -16.5301 -16.5301 0.1752 0.1752 6.2631 6.3048 6.3048 6.3939 6.7763 6.7763 7.7130 7.7968 7.7968 7.9375 10.8281 10.8281 11.4353 11.4353 11.7230 11.7478 12.7246 12.7246 13.3684 13.5425 13.5425 13.6917 14.1106 14.1106 k = 0.1023 0.0590 0.0418 ( 2661 PWs) bands (ev): -38.0397 -38.0397 -17.0361 -17.0361 -16.5315 -16.5315 -16.5301 -16.5301 0.1958 0.1958 6.2551 6.2969 6.2969 6.3997 6.7688 6.7688 7.7075 7.7958 7.7958 7.9567 10.7226 10.7226 11.3887 11.3887 11.6938 11.7256 12.7362 12.7362 13.3480 13.5321 13.5321 13.6734 14.1823 14.1823 k = 0.1136 0.0656 0.0464 ( 2646 PWs) bands (ev): -38.0397 -38.0397 -17.0362 -17.0362 -16.5317 -16.5317 -16.5301 -16.5300 0.2187 0.2187 6.2474 6.2878 6.2878 6.4049 6.7610 6.7610 7.7032 7.7944 7.7944 7.9761 10.6094 10.6094 11.3463 11.3463 11.6617 11.7014 12.7468 12.7468 13.3313 13.5234 13.5234 13.6566 14.2534 14.2534 k = 0.1250 0.0722 0.0510 ( 2655 PWs) bands (ev): -38.0397 -38.0397 -17.0363 -17.0363 -16.5321 -16.5321 -16.5301 -16.5300 0.2438 0.2438 6.2400 6.2773 6.2773 6.4095 6.7530 6.7530 7.7002 7.7926 7.7926 7.9955 10.4906 10.4906 11.3067 11.3067 11.6270 11.6755 12.7565 12.7565 13.3184 13.5165 13.5165 13.6417 14.3240 14.3240 k = 0.1364 0.0787 0.0557 ( 2649 PWs) bands (ev): -38.0397 -38.0397 -17.0363 -17.0363 -16.5324 -16.5324 -16.5300 -16.5300 0.2710 0.2710 6.2331 6.2656 6.2656 6.4135 6.7450 6.7450 7.6985 7.7903 7.7903 8.0149 10.3686 10.3686 11.2692 11.2692 11.5900 11.6480 12.7657 12.7657 13.3090 13.5114 13.5114 13.6289 14.3944 14.3944 k = 0.1477 0.0853 0.0603 ( 2643 PWs) bands (ev): -38.0396 -38.0396 -17.0364 -17.0364 -16.5327 -16.5327 -16.5300 -16.5299 0.3002 0.3002 6.2265 6.2523 6.2523 6.4169 6.7372 6.7372 7.6982 7.7873 7.7873 8.0342 10.2449 10.2449 11.2329 11.2329 11.5510 11.6190 12.7746 12.7746 13.3030 13.5080 13.5080 13.6183 14.4646 14.4646 k = 0.1591 0.0919 0.0649 ( 2631 PWs) bands (ev): -38.0396 -38.0396 -17.0365 -17.0365 -16.5331 -16.5331 -16.5299 -16.5298 0.3314 0.3314 6.2204 6.2376 6.2376 6.4196 6.7298 6.7298 7.6993 7.7837 7.7837 8.0533 10.1208 10.1208 11.1977 11.1977 11.5105 11.5887 12.7835 12.7835 13.3002 13.5063 13.5063 13.6099 14.5348 14.5348 k = 0.1705 0.0984 0.0696 ( 2631 PWs) bands (ev): -38.0395 -38.0395 -17.0366 -17.0366 -16.5335 -16.5335 -16.5299 -16.5298 0.3645 0.3645 6.2147 6.2214 6.2214 6.4216 6.7227 6.7227 7.7016 7.7792 7.7792 8.0721 9.9973 9.9973 11.1631 11.1631 11.4685 11.5572 12.7923 12.7923 13.3005 13.5061 13.5061 13.6038 14.6047 14.6047 k = 0.1818 0.1050 0.0742 ( 2632 PWs) bands (ev): -38.0395 -38.0395 -17.0367 -17.0367 -16.5339 -16.5339 -16.5298 -16.5298 0.3993 0.3993 6.2035 6.2035 6.2096 6.4230 6.7163 6.7163 7.7053 7.7738 7.7738 8.0906 9.8753 9.8753 11.1291 11.1291 11.4256 11.5248 12.8013 12.8013 13.3035 13.5074 13.5074 13.5999 14.6744 14.6744 k = 0.1932 0.1115 0.0789 ( 2629 PWs) bands (ev): -38.0395 -38.0395 -17.0368 -17.0368 -16.5343 -16.5343 -16.5298 -16.5297 0.4358 0.4358 6.1839 6.1839 6.2049 6.4236 6.7106 6.7106 7.7103 7.7672 7.7672 8.1086 9.7556 9.7556 11.0957 11.0957 11.3821 11.4916 12.8105 12.8105 13.3092 13.5101 13.5101 13.5981 14.7436 14.7436 k = 0.2045 0.1181 0.0835 ( 2629 PWs) bands (ev): -38.0394 -38.0394 -17.0369 -17.0369 -16.5347 -16.5347 -16.5297 -16.5297 0.4739 0.4739 6.1628 6.1628 6.2007 6.4237 6.7057 6.7057 7.7165 7.7595 7.7595 8.1260 9.6387 9.6387 11.0630 11.0630 11.3382 11.4576 12.8199 12.8199 13.3173 13.5141 13.5141 13.5984 14.8120 14.8120 k = 0.2159 0.1247 0.0881 ( 2623 PWs) bands (ev): -38.0394 -38.0394 -17.0370 -17.0370 -16.5352 -16.5352 -16.5297 -16.5296 0.5134 0.5134 6.1400 6.1400 6.1971 6.4230 6.7016 6.7016 7.7240 7.7503 7.7503 8.1427 9.5253 9.5253 11.0310 11.0310 11.2943 11.4232 12.8297 12.8297 13.3276 13.5193 13.5193 13.6006 14.8791 14.8791 k = 0.2273 0.1312 0.0928 ( 2623 PWs) bands (ev): -38.0393 -38.0393 -17.0371 -17.0371 -16.5356 -16.5356 -16.5296 -16.5296 0.5542 0.5542 6.1156 6.1156 6.1940 6.4218 6.6985 6.6985 7.7327 7.7396 7.7396 8.1587 9.4158 9.4158 10.9998 10.9998 11.2506 11.3884 12.8398 12.8398 13.3399 13.5257 13.5257 13.6046 14.9438 14.9438 k = 0.2386 0.1378 0.0974 ( 2623 PWs) bands (ev): -38.0393 -38.0393 -17.0373 -17.0373 -16.5361 -16.5361 -16.5296 -16.5295 0.5961 0.5961 6.0896 6.0896 6.1915 6.4199 6.6963 6.6963 7.7271 7.7271 7.7426 8.1739 9.3107 9.3107 10.9694 10.9694 11.2074 11.3534 12.8502 12.8502 13.3541 13.5332 13.5332 13.6104 15.0034 15.0034 k = 0.2500 0.1443 0.1021 ( 2632 PWs) bands (ev): -38.0392 -38.0392 -17.0374 -17.0374 -16.5366 -16.5366 -16.5295 -16.5295 0.6390 0.6390 6.0622 6.0622 6.1896 6.4174 6.6951 6.6951 7.7129 7.7129 7.7535 8.1880 9.2104 9.2104 10.9399 10.9399 11.1651 11.3183 12.8610 12.8610 13.3700 13.5417 13.5417 13.6177 15.0476 15.0476 k = 0.2614 0.1509 0.1067 ( 2620 PWs) bands (ev): -38.0392 -38.0392 -17.0375 -17.0375 -16.5370 -16.5370 -16.5295 -16.5294 0.6827 0.6827 6.0334 6.0334 6.1882 6.4144 6.6948 6.6948 7.6966 7.6966 7.7656 8.2012 9.1155 9.1155 10.9115 10.9115 11.1238 11.2833 12.8721 12.8721 13.3875 13.5511 13.5511 13.6266 15.0410 15.0410 k = 0.2727 0.1575 0.1113 ( 2617 PWs) bands (ev): -38.0392 -38.0392 -17.0376 -17.0376 -16.5374 -16.5374 -16.5294 -16.5294 0.7270 0.7270 6.0034 6.0034 6.1874 6.4108 6.6955 6.6955 7.6783 7.6783 7.7786 8.2132 9.0262 9.0262 10.8842 10.8842 11.0837 11.2484 12.8836 12.8836 13.4063 13.5613 13.5613 13.6367 14.9813 14.9813 k = 0.2841 0.1640 0.1160 ( 2623 PWs) bands (ev): -38.0391 -38.0391 -17.0378 -17.0378 -16.5379 -16.5379 -16.5294 -16.5293 0.7717 0.7717 5.9722 5.9722 6.1872 6.4066 6.6972 6.6972 7.6578 7.6578 7.7926 8.2240 8.9427 8.9427 10.8580 10.8580 11.0451 11.2138 12.8955 12.8955 13.4264 13.5723 13.5723 13.6479 14.9034 14.9034 k = 0.2955 0.1706 0.1206 ( 2611 PWs) bands (ev): -38.0391 -38.0391 -17.0378 -17.0378 -16.5383 -16.5383 -16.5293 -16.5292 0.8166 0.8166 5.9401 5.9401 6.1876 6.4021 6.6997 6.6997 7.6351 7.6351 7.8075 8.2334 8.8654 8.8654 10.8332 10.8332 11.0082 11.1796 12.9077 12.9077 13.4475 13.5840 13.5840 13.6601 14.8193 14.8193 k = 0.3068 0.1771 0.1253 ( 2611 PWs) bands (ev): -38.0390 -38.0390 -17.0380 -17.0380 -16.5387 -16.5387 -16.5292 -16.5292 0.8615 0.8615 5.9071 5.9071 6.1885 6.3970 6.7031 6.7031 7.6104 7.6104 7.8232 8.2415 8.7944 8.7944 10.8095 10.8095 10.9731 11.1460 12.9203 12.9203 13.4695 13.5962 13.5962 13.6731 14.7330 14.7330 k = 0.3182 0.1837 0.1299 ( 2605 PWs) bands (ev): -38.0390 -38.0390 -17.0381 -17.0381 -16.5391 -16.5391 -16.5292 -16.5291 0.9061 0.9061 5.8736 5.8736 6.1899 6.3916 6.7074 6.7074 7.5837 7.5837 7.8397 8.2481 8.7296 8.7296 10.7873 10.7873 10.9400 11.1130 12.9332 12.9332 13.4923 13.6089 13.6089 13.6867 14.6464 14.6464 k = 0.3295 0.1903 0.1345 ( 2593 PWs) bands (ev): -38.0389 -38.0389 -17.0381 -17.0381 -16.5395 -16.5395 -16.5291 -16.5291 0.9502 0.9502 5.8396 5.8396 6.1920 6.3857 6.7125 6.7125 7.5553 7.5553 7.8569 8.2532 8.6709 8.6709 10.7664 10.7664 10.9091 11.0807 12.9465 12.9465 13.5157 13.6219 13.6219 13.7006 14.5607 14.5607 k = 0.3409 0.1968 0.1392 ( 2599 PWs) bands (ev): -38.0389 -38.0389 -17.0382 -17.0382 -16.5399 -16.5399 -16.5291 -16.5290 0.9934 0.9934 5.8056 5.8056 6.1945 6.3795 6.7182 6.7182 7.5254 7.5254 7.8747 8.2567 8.6182 8.6182 10.7468 10.7468 10.8805 11.0493 12.9601 12.9601 13.5394 13.6352 13.6352 13.7147 14.4769 14.4769 k = 0.3523 0.2034 0.1438 ( 2605 PWs) bands (ev): -38.0389 -38.0389 -17.0384 -17.0384 -16.5403 -16.5403 -16.5291 -16.5290 1.0357 1.0357 5.7716 5.7716 6.1975 6.3730 6.7247 6.7247 7.4945 7.4945 7.8931 8.2586 8.5713 8.5713 10.7287 10.7287 10.8543 11.0188 12.9741 12.9741 13.5634 13.6485 13.6485 13.7288 14.3956 14.3956 k = 0.3636 0.2099 0.1485 ( 2611 PWs) bands (ev): -38.0388 -38.0388 -17.0385 -17.0385 -16.5406 -16.5406 -16.5290 -16.5290 1.0765 1.0765 5.7382 5.7382 6.2011 6.3662 6.7318 6.7318 7.4630 7.4630 7.9119 8.2588 8.5298 8.5298 10.7119 10.7119 10.8305 10.9893 12.9883 12.9883 13.5874 13.6618 13.6618 13.7426 14.3175 14.3175 k = 0.3750 0.2165 0.1531 ( 2605 PWs) bands (ev): -38.0388 -38.0388 -17.0386 -17.0386 -16.5409 -16.5409 -16.5290 -16.5290 1.1156 1.1156 5.7055 5.7055 6.2051 6.3591 6.7394 6.7394 7.4313 7.4313 7.9311 8.2574 8.4933 8.4933 10.6966 10.6966 10.8094 10.9610 13.0027 13.0027 13.6113 13.6750 13.6750 13.7559 14.2430 14.2430 k = 0.3864 0.2231 0.1577 ( 2599 PWs) bands (ev): -38.0388 -38.0388 -17.0386 -17.0386 -16.5412 -16.5412 -16.5290 -16.5289 1.1528 1.1528 5.6740 5.6740 6.2096 6.3518 6.7475 6.7475 7.4000 7.4000 7.9507 8.2543 8.4615 8.4615 10.6827 10.6827 10.7909 10.9339 13.0174 13.0174 13.6348 13.6877 13.6877 13.7684 14.1726 14.1726 k = 0.3977 0.2296 0.1624 ( 2599 PWs) bands (ev): -38.0388 -38.0388 -17.0387 -17.0387 -16.5415 -16.5415 -16.5289 -16.5289 1.1877 1.1877 5.6439 5.6439 6.2145 6.3444 6.7559 6.7559 7.3695 7.3695 7.9705 8.2496 8.4339 8.4339 10.6702 10.6702 10.7751 10.9082 13.0320 13.0320 13.6578 13.7000 13.7000 13.7799 14.1066 14.1066 k = 0.4091 0.2362 0.1670 ( 2599 PWs) bands (ev): -38.0387 -38.0387 -17.0388 -17.0388 -16.5417 -16.5417 -16.5289 -16.5289 1.2199 1.2199 5.6158 5.6158 6.2198 6.3367 6.7645 6.7645 7.3404 7.3404 7.9904 8.2433 8.4102 8.4102 10.6590 10.6590 10.7619 10.8838 13.0466 13.0466 13.6799 13.7116 13.7116 13.7901 14.0455 14.0455 k = 0.4205 0.2427 0.1716 ( 2596 PWs) bands (ev): -38.0387 -38.0387 -17.0388 -17.0388 -16.5419 -16.5419 -16.5289 -16.5288 1.2493 1.2493 5.5898 5.5898 6.2256 6.3290 6.7732 6.7732 7.3130 7.3130 8.0104 8.2354 8.3901 8.3901 10.6493 10.6493 10.7515 10.8610 13.0609 13.0609 13.7011 13.7223 13.7223 13.7989 13.9897 13.9897 k = 0.4318 0.2493 0.1763 ( 2593 PWs) bands (ev): -38.0387 -38.0387 -17.0389 -17.0389 -16.5421 -16.5421 -16.5288 -16.5288 1.2754 1.2754 5.5665 5.5665 6.2317 6.3211 6.7816 6.7816 7.2879 7.2879 8.0303 8.2260 8.3732 8.3732 10.6409 10.6409 10.7438 10.8398 13.0747 13.0747 13.7210 13.7321 13.7321 13.8059 13.9396 13.9396 k = 0.4432 0.2559 0.1809 ( 2590 PWs) bands (ev): -38.0387 -38.0387 -17.0389 -17.0389 -16.5423 -16.5423 -16.5288 -16.5288 1.2980 1.2980 5.5460 5.5460 6.2381 6.3132 6.7896 6.7896 7.2655 7.2655 8.0500 8.2152 8.3593 8.3593 10.6338 10.6338 10.7387 10.8203 13.0876 13.0876 13.7395 13.7407 13.7407 13.8111 13.8956 13.8956 k = 0.4545 0.2624 0.1856 ( 2590 PWs) bands (ev): -38.0387 -38.0387 -17.0389 -17.0389 -16.5424 -16.5424 -16.5288 -16.5288 1.3169 1.3169 5.5289 5.5289 6.2448 6.3053 6.7968 6.7968 7.2463 7.2463 8.0696 8.2030 8.3482 8.3482 10.6280 10.6280 10.7363 10.8025 13.0991 13.0991 13.7480 13.7480 13.7563 13.8141 13.8584 13.8584 k = 0.4659 0.2690 0.1902 ( 2605 PWs) bands (ev): -38.0386 -38.0386 -17.0390 -17.0390 -16.5426 -16.5426 -16.5288 -16.5288 1.3318 1.3318 5.5152 5.5152 6.2517 6.2973 6.8028 6.8028 7.2308 7.2308 8.0887 8.1895 8.3398 8.3398 10.6235 10.6235 10.7363 10.7866 13.1089 13.1089 13.7540 13.7540 13.7713 13.8150 13.8285 13.8285 k = 0.4773 0.2756 0.1948 ( 2608 PWs) bands (ev): -38.0386 -38.0386 -17.0390 -17.0390 -16.5427 -16.5427 -16.5288 -16.5288 1.3426 1.3426 5.5053 5.5053 6.2589 6.2894 6.8075 6.8075 7.2193 7.2193 8.1073 8.1750 8.3338 8.3338 10.6203 10.6203 10.7390 10.7728 13.1163 13.1163 13.7586 13.7586 13.7842 13.8063 13.8063 13.8135 k = 0.4886 0.2821 0.1995 ( 2608 PWs) bands (ev): -38.0386 -38.0386 -17.0391 -17.0391 -16.5427 -16.5427 -16.5288 -16.5288 1.3491 1.3491 5.4993 5.4993 6.2663 6.2816 6.8105 6.8105 7.2122 7.2122 8.1254 8.1593 8.3303 8.3303 10.6184 10.6184 10.7440 10.7610 13.1210 13.1210 13.7617 13.7617 13.7924 13.7924 13.7950 13.8097 k = 0.5000 0.2887 0.2041 ( 2608 PWs) bands (ev): -38.0386 -38.0386 -17.0391 -17.0391 -16.5427 -16.5427 -16.5288 -16.5288 1.3513 1.3513 5.4972 5.4972 6.2739 6.2739 6.8115 6.8115 7.2098 7.2098 8.1428 8.1428 8.3291 8.3291 10.6177 10.6177 10.7514 10.7514 13.1226 13.1226 13.7630 13.7630 13.7875 13.7875 13.8036 13.8036 k = 0.5000 0.2887 0.2041 ( 2608 PWs) bands (ev): -38.0386 -38.0386 -17.0391 -17.0391 -16.5427 -16.5427 -16.5288 -16.5288 1.3513 1.3513 5.4972 5.4972 6.2739 6.2739 6.8115 6.8115 7.2098 7.2098 8.1428 8.1428 8.3291 8.3291 10.6177 10.6177 10.7514 10.7514 13.1226 13.1226 13.7630 13.7630 13.7875 13.7875 13.8036 13.8036 k = 0.5040 0.2770 0.2107 ( 2608 PWs) bands (ev): -38.0386 -38.0386 -17.0392 -17.0390 -16.5428 -16.5427 -16.5288 -16.5288 1.3504 1.3531 5.4945 5.5015 6.2741 6.2741 6.8091 6.8140 7.2035 7.2164 8.1433 8.1433 8.3221 8.3360 10.6144 10.6145 10.7480 10.7481 13.1220 13.1272 13.7398 13.7634 13.7796 13.7882 13.8215 13.8229 k = 0.5081 0.2654 0.2173 ( 2609 PWs) bands (ev): -38.0386 -38.0386 -17.0393 -17.0389 -16.5428 -16.5426 -16.5289 -16.5289 1.3505 1.3558 5.4931 5.5072 6.2746 6.2747 6.8067 6.8165 7.1974 7.2233 8.1447 8.1448 8.3151 8.3429 10.6040 10.6048 10.7381 10.7391 13.1254 13.1351 13.7134 13.7458 13.7801 13.7880 13.8512 13.8589 k = 0.5121 0.2538 0.2239 ( 2602 PWs) bands (ev): -38.0386 -38.0386 -17.0394 -17.0388 -16.5428 -16.5426 -16.5289 -16.5289 1.3516 1.3594 5.4932 5.5143 6.2754 6.2757 6.8043 6.8192 7.1914 7.2305 8.1470 8.1473 8.3079 8.3499 10.5854 10.5884 10.7224 10.7257 13.1323 13.1454 13.6888 13.7289 13.7806 13.7888 13.8861 13.9013 k = 0.5161 0.2421 0.2305 ( 2600 PWs) bands (ev): -38.0386 -38.0386 -17.0395 -17.0387 -16.5429 -16.5425 -16.5290 -16.5290 1.3535 1.3639 5.4948 5.5229 6.2766 6.2771 6.8019 6.8220 7.1854 7.2382 8.1501 8.1510 8.3007 8.3569 10.5578 10.5644 10.7023 10.7097 13.1419 13.1568 13.6672 13.7141 13.7810 13.7902 13.9260 13.9485 k = 0.5202 0.2305 0.2370 ( 2599 PWs) bands (ev): -38.0386 -38.0386 -17.0396 -17.0386 -16.5429 -16.5424 -16.5291 -16.5291 1.3564 1.3693 5.4976 5.5330 6.2779 6.2790 6.7995 6.8251 7.1795 7.2463 8.1539 8.1556 8.2934 8.3640 10.5207 10.5324 10.6794 10.6923 13.1533 13.1677 13.6489 13.7016 13.7816 13.7919 13.9713 14.0002 k = 0.5242 0.2188 0.2436 ( 2594 PWs) bands (ev): -38.0386 -38.0385 -17.0397 -17.0385 -16.5429 -16.5423 -16.5292 -16.5292 1.3601 1.3756 5.5019 5.5444 6.2794 6.2812 6.7971 6.8285 7.1736 7.2549 8.1584 8.1614 8.2860 8.3713 10.4747 10.4920 10.6548 10.6740 13.1653 13.1766 13.6341 13.6914 13.7824 13.7940 14.0218 14.0562 k = 0.5282 0.2072 0.2502 ( 2598 PWs) bands (ev): -38.0386 -38.0385 -17.0399 -17.0384 -16.5429 -16.5422 -16.5294 -16.5294 1.3647 1.3826 5.5074 5.5572 6.2810 6.2839 6.7946 6.8322 7.1677 7.2640 8.1635 8.1682 8.2786 8.3788 10.4208 10.4438 10.6293 10.6550 13.1766 13.1822 13.6229 13.6835 13.7834 13.7964 14.0774 14.1161 k = 0.5323 0.1956 0.2568 ( 2604 PWs) bands (ev): -38.0386 -38.0385 -17.0400 -17.0384 -16.5429 -16.5421 -16.5296 -16.5296 1.3700 1.3904 5.5142 5.5713 6.2827 6.2869 6.7922 6.8365 7.1616 7.2735 8.1689 8.1761 8.2714 8.3865 10.3603 10.3887 10.6028 10.6349 13.1837 13.1865 13.6152 13.6777 13.7847 13.7990 14.1372 14.1793 k = 0.5363 0.1839 0.2634 ( 2602 PWs) bands (ev): -38.0386 -38.0385 -17.0401 -17.0384 -16.5429 -16.5420 -16.5298 -16.5297 1.3762 1.3989 5.5221 5.5866 6.2844 6.2904 6.7898 6.8413 7.1555 7.2836 8.1744 8.1850 8.2645 8.3945 10.2943 10.3280 10.5754 10.6139 13.1807 13.1940 13.6105 13.6742 13.7864 13.8020 14.1999 14.2448 k = 0.5403 0.1723 0.2700 ( 2601 PWs) bands (ev): -38.0386 -38.0385 -17.0403 -17.0383 -16.5429 -16.5419 -16.5301 -16.5299 1.3831 1.4081 5.5311 5.6032 6.2861 6.2942 6.7875 6.8468 7.1492 7.2940 8.1796 8.1948 8.2585 8.4029 10.2241 10.2628 10.5469 10.5916 13.1732 13.1987 13.6086 13.6727 13.7883 13.8052 14.2633 14.3110 k = 0.5444 0.1606 0.2766 ( 2601 PWs) bands (ev): -38.0386 -38.0384 -17.0404 -17.0383 -16.5429 -16.5417 -16.5303 -16.5301 1.3906 1.4179 5.5412 5.6208 6.2877 6.2983 6.7853 6.8531 7.1428 7.3049 8.1836 8.2054 8.2540 8.4117 10.1505 10.1942 10.5172 10.5681 13.1616 13.2002 13.6087 13.6730 13.7906 13.8086 14.3242 14.3757 k = 0.5484 0.1490 0.2831 ( 2599 PWs) bands (ev): -38.0386 -38.0384 -17.0405 -17.0382 -16.5428 -16.5416 -16.5306 -16.5304 1.3988 1.4283 5.5520 5.6393 6.2893 6.3028 6.7832 6.8602 7.1363 7.3160 8.1855 8.2168 8.2522 8.4210 10.0745 10.1231 10.4863 10.5434 13.1464 13.1986 13.6103 13.6749 13.7932 13.8123 14.3782 14.4354 k = 0.5524 0.1374 0.2897 ( 2603 PWs) bands (ev): -38.0386 -38.0384 -17.0407 -17.0382 -16.5428 -16.5415 -16.5309 -16.5306 1.4075 1.4390 5.5636 5.6586 6.2908 6.3077 6.7813 6.8683 7.1296 7.3272 8.1842 8.2288 8.2539 8.4308 9.9967 10.0504 10.4542 10.5177 13.1282 13.1937 13.6129 13.6782 13.7962 13.8162 14.4196 14.4853 k = 0.5565 0.1257 0.2963 ( 2603 PWs) bands (ev): -38.0386 -38.0384 -17.0408 -17.0382 -16.5428 -16.5413 -16.5312 -16.5308 1.4167 1.4502 5.5758 5.6786 6.2924 6.3129 6.7798 6.8775 7.1228 7.3385 8.1796 8.2414 8.2595 8.4412 9.9179 9.9767 10.4211 10.4909 13.1076 13.1859 13.6161 13.6826 13.7995 13.8202 14.4431 14.5189 k = 0.5605 0.1141 0.3029 ( 2599 PWs) bands (ev): -38.0386 -38.0383 -17.0409 -17.0382 -16.5428 -16.5411 -16.5315 -16.5311 1.4262 1.4617 5.5884 5.6989 6.2940 6.3187 6.7786 6.8877 7.1158 7.3497 8.1724 8.2543 8.2682 8.4521 9.8386 9.9028 10.3870 10.4634 13.0849 13.1754 13.6196 13.6877 13.8032 13.8244 14.4468 14.5303 k = 0.5645 0.1024 0.3095 ( 2603 PWs) bands (ev): -38.0385 -38.0383 -17.0410 -17.0382 -16.5428 -16.5410 -16.5318 -16.5313 1.4361 1.4734 5.6012 5.7194 6.2958 6.3250 6.7778 6.8991 7.1086 7.3606 8.1635 8.2674 8.2792 8.4636 9.7595 9.8292 10.3522 10.4352 13.0607 13.1625 13.6231 13.6933 13.8071 13.8288 14.4339 14.5187 k = 0.5685 0.0908 0.3161 ( 2601 PWs) bands (ev): -38.0385 -38.0383 -17.0411 -17.0382 -16.5428 -16.5409 -16.5321 -16.5315 1.4463 1.4852 5.6139 5.7396 6.2980 6.3320 6.7776 6.9117 7.1014 7.3711 8.1533 8.2806 8.2922 8.4756 9.6811 9.7567 10.3168 10.4064 13.0352 13.1473 13.6266 13.6991 13.8113 13.8332 14.4100 14.4901 k = 0.5726 0.0792 0.3226 ( 2606 PWs) bands (ev): -38.0385 -38.0382 -17.0413 -17.0382 -16.5428 -16.5407 -16.5325 -16.5318 1.4566 1.4970 5.6264 5.7593 6.3006 6.3399 6.7781 6.9254 7.0940 7.3810 8.1424 8.2938 8.3067 8.4879 9.6038 9.6859 10.2810 10.3772 13.0087 13.1302 13.6300 13.7051 13.8158 13.8376 14.3806 14.4519 k = 0.5766 0.0675 0.3292 ( 2598 PWs) bands (ev): -38.0385 -38.0382 -17.0413 -17.0382 -16.5428 -16.5405 -16.5328 -16.5320 1.4669 1.5088 5.6382 5.7780 6.3039 6.3489 6.7793 6.9403 7.0865 7.3901 8.1311 8.3067 8.3225 8.5004 9.5282 9.6173 10.2450 10.3478 12.9816 13.1114 13.6333 13.7110 13.8204 13.8419 14.3494 14.4102 k = 0.5806 0.0559 0.3358 ( 2599 PWs) bands (ev): -38.0385 -38.0382 -17.0414 -17.0382 -16.5428 -16.5404 -16.5331 -16.5322 1.4772 1.5203 5.6492 5.7953 6.3081 6.3593 6.7812 6.9563 7.0789 7.3982 8.1196 8.3193 8.3395 8.5128 9.4547 9.5517 10.2090 10.3183 12.9540 13.0911 13.6365 13.7166 13.8250 13.8461 14.3188 14.3685 k = 0.5847 0.0442 0.3424 ( 2603 PWs) bands (ev): -38.0385 -38.0382 -17.0415 -17.0383 -16.5428 -16.5402 -16.5335 -16.5324 1.4874 1.5316 5.6590 5.8106 6.3134 6.3713 6.7841 6.9733 7.0714 7.4052 8.1081 8.3314 8.3576 8.5247 9.3838 9.4898 10.1732 10.2889 12.9263 13.0695 13.6398 13.7220 13.8297 13.8500 14.2902 14.3286 k = 0.5887 0.0326 0.3490 ( 2601 PWs) bands (ev): -38.0384 -38.0381 -17.0416 -17.0383 -16.5428 -16.5401 -16.5338 -16.5325 1.4973 1.5425 5.6674 5.8235 6.3199 6.3853 6.7879 6.9913 7.0639 7.4110 8.0969 8.3430 8.3766 8.5355 9.3160 9.4324 10.1378 10.2597 12.8985 13.0470 13.6431 13.7271 13.8342 13.8533 14.2644 14.2913 k = 0.5927 0.0210 0.3556 ( 2601 PWs) bands (ev): -38.0384 -38.0381 -17.0417 -17.0384 -16.5429 -16.5399 -16.5341 -16.5327 1.5068 1.5528 5.6740 5.8336 6.3278 6.4015 6.7929 7.0101 7.0566 7.4155 8.0862 8.3539 8.3963 8.5447 9.2517 9.3803 10.1031 10.2308 12.8709 13.0236 13.6468 13.7319 13.8384 13.8557 14.2416 14.2552 k = 0.5968 0.0093 0.3622 ( 2599 PWs) bands (ev): -38.0384 -38.0381 -17.0418 -17.0384 -16.5429 -16.5398 -16.5344 -16.5329 1.5158 1.5625 5.6787 5.8404 6.3371 6.4198 6.7990 7.0297 7.0494 7.4186 8.0762 8.3642 8.4165 8.5516 9.1915 9.3345 10.0692 10.2023 12.8437 12.9997 13.6509 13.7364 13.8420 13.8567 14.2157 14.2212 k = 0.6008-0.0023 0.3687 ( 2598 PWs) bands (ev): -38.0384 -38.0381 -17.0418 -17.0384 -16.5429 -16.5397 -16.5347 -16.5330 1.5243 1.5714 5.6813 5.8438 6.3480 6.4405 6.8066 7.0426 7.0499 7.4205 8.0672 8.3737 8.4367 8.5553 9.1359 9.2959 10.0364 10.1744 12.8172 12.9754 13.6556 13.7407 13.8443 13.8555 14.1691 14.2010 k = 0.6048-0.0140 0.3753 ( 2598 PWs) bands (ev): -38.0384 -38.0381 -17.0419 -17.0385 -16.5429 -16.5396 -16.5349 -16.5331 1.5320 1.5794 5.6816 5.8435 6.3602 6.4631 6.8156 7.0362 7.0705 7.4214 8.0592 8.3824 8.4564 8.5552 9.0858 9.2652 10.0049 10.1472 12.7914 12.9510 13.6612 13.7449 13.8444 13.8509 14.1203 14.1753 k = 0.6089-0.0256 0.3819 ( 2594 PWs) bands (ev): -38.0384 -38.0381 -17.0419 -17.0385 -16.5429 -16.5395 -16.5351 -16.5332 1.5389 1.5864 5.6796 5.8397 6.3738 6.4875 6.8266 7.0303 7.0914 7.4214 8.0524 8.3902 8.4749 8.5508 9.0419 9.2431 9.9749 10.1208 12.7665 12.9267 13.6676 13.7490 13.8407 13.8413 14.0753 14.1422 k = 0.6129-0.0372 0.3885 ( 2600 PWs) bands (ev): -38.0383 -38.0380 -17.0420 -17.0386 -16.5430 -16.5394 -16.5353 -16.5333 1.5448 1.5922 5.6753 5.8324 6.3884 6.5130 6.8396 7.0249 7.1123 7.4211 8.0470 8.3970 8.4912 8.5420 9.0053 9.2297 9.9466 10.0952 12.7427 12.9028 13.6750 13.7528 13.8252 13.8309 14.0389 14.1116 k = 0.6169-0.0489 0.3951 ( 2602 PWs) bands (ev): -38.0383 -38.0380 -17.0420 -17.0386 -16.5430 -16.5394 -16.5355 -16.5334 1.5496 1.5968 5.6689 5.8219 6.4039 6.5390 6.8552 7.0202 7.1328 7.4209 8.0430 8.4027 8.5041 8.5292 8.9773 9.2248 9.9202 10.0706 12.7202 12.8794 13.6832 13.7548 13.8020 13.8144 14.0143 14.0895 k = 0.6210-0.0605 0.4017 ( 2604 PWs) bands (ev): -38.0383 -38.0380 -17.0420 -17.0387 -16.5431 -16.5394 -16.5356 -16.5334 1.5532 1.6000 5.6604 5.8085 6.4198 6.5648 6.8737 7.0163 7.1525 7.4215 8.0404 8.4071 8.5125 8.5132 8.9590 9.2278 9.8959 10.0471 12.6989 12.8568 13.6912 13.7483 13.7735 13.7982 14.0020 14.0767 k = 0.6250-0.0722 0.4082 ( 2600 PWs) bands (ev): -38.0383 -38.0380 -17.0420 -17.0387 -16.5431 -16.5394 -16.5356 -16.5334 1.5555 1.6016 5.6501 5.7925 6.4360 6.5896 6.8953 7.0132 7.1709 7.4237 8.0393 8.4097 8.4954 8.5156 8.9513 9.2378 9.8738 10.0248 12.6792 12.8350 13.6937 13.7236 13.7469 13.7949 13.9994 14.0720 k = 0.6250-0.0722 0.4082 ( 2600 PWs) bands (ev): -38.0383 -38.0380 -17.0420 -17.0387 -16.5431 -16.5394 -16.5356 -16.5334 1.5555 1.6016 5.6501 5.7925 6.4360 6.5896 6.8953 7.0132 7.1709 7.4237 8.0393 8.4097 8.4954 8.5156 8.9513 9.2378 9.8738 10.0248 12.6792 12.8350 13.6937 13.7236 13.7469 13.7949 13.9994 14.0720 k = 0.6181-0.0682 0.4196 ( 2604 PWs) bands (ev): -38.0383 -38.0380 -17.0420 -17.0387 -16.5431 -16.5394 -16.5356 -16.5335 1.5556 1.6019 5.6510 5.7936 6.4310 6.5935 6.8897 7.0129 7.1783 7.4245 8.0394 8.4090 8.4920 8.5187 8.9472 9.2345 9.8737 10.0260 12.6817 12.8375 13.6905 13.7218 13.7448 13.7946 13.9972 14.0689 k = 0.6111-0.0642 0.4309 ( 2605 PWs) bands (ev): -38.0383 -38.0380 -17.0420 -17.0387 -16.5431 -16.5394 -16.5356 -16.5335 1.5561 1.6025 5.6540 5.7968 6.4173 6.6037 6.8746 7.0121 7.1988 7.4269 8.0396 8.4070 8.4851 8.5250 8.9353 9.2249 9.8737 10.0296 12.6893 12.8449 13.6814 13.7161 13.7392 13.7932 13.9911 14.0602 k = 0.6042-0.0601 0.4423 ( 2607 PWs) bands (ev): -38.0383 -38.0380 -17.0420 -17.0387 -16.5431 -16.5394 -16.5357 -16.5336 1.5569 1.6036 5.6589 5.8022 6.3980 6.6166 6.8537 7.0111 7.2288 7.4309 8.0401 8.4035 8.4775 8.5316 8.9161 9.2088 9.8739 10.0349 12.7019 12.8571 13.6676 13.7062 13.7305 13.7900 13.9814 14.0470 k = 0.5972-0.0561 0.4536 ( 2607 PWs) bands (ev): -38.0383 -38.0380 -17.0421 -17.0387 -16.5431 -16.5394 -16.5357 -16.5336 1.5580 1.6050 5.6657 5.8097 6.3753 6.6290 6.8311 7.0101 7.2650 7.4367 8.0408 8.3983 8.4703 8.5374 8.8907 9.1868 9.8748 10.0415 12.7192 12.8738 13.6505 13.6926 13.7191 13.7845 13.9690 14.0307 k = 0.5903-0.0521 0.4649 ( 2607 PWs) bands (ev): -38.0383 -38.0380 -17.0421 -17.0387 -16.5430 -16.5393 -16.5357 -16.5337 1.5593 1.6068 5.6745 5.8193 6.3507 6.6376 6.8103 7.0091 7.3051 7.4445 8.0418 8.3911 8.4638 8.5418 8.8604 9.1591 9.8766 10.0485 12.7410 12.8949 13.6310 13.6762 13.7050 13.7762 13.9545 14.0123 k = 0.5833-0.0481 0.4763 ( 2601 PWs) bands (ev): -38.0383 -38.0380 -17.0421 -17.0387 -16.5430 -16.5392 -16.5358 -16.5338 1.5609 1.6089 5.6850 5.8309 6.3251 6.6390 6.7948 7.0081 7.3472 7.4546 8.0432 8.3819 8.4582 8.5438 8.8268 9.1265 9.8793 10.0557 12.7670 12.9198 13.6103 13.6580 13.6881 13.7648 13.9387 13.9924 k = 0.5764-0.0441 0.4876 ( 2602 PWs) bands (ev): -38.0383 -38.0380 -17.0421 -17.0387 -16.5430 -16.5391 -16.5358 -16.5339 1.5627 1.6114 5.6973 5.8444 6.2989 6.6310 6.7871 7.0073 7.3895 7.4683 8.0452 8.3706 8.4535 8.5425 8.7924 9.0899 9.8828 10.0625 12.7968 12.9483 13.5890 13.6387 13.6688 13.7502 13.9222 13.9718 k = 0.5694-0.0401 0.4990 ( 2600 PWs) bands (ev): -38.0383 -38.0380 -17.0421 -17.0386 -16.5429 -16.5390 -16.5359 -16.5340 1.5647 1.6140 5.7113 5.8598 6.2725 6.6142 6.7864 7.0067 7.4282 7.4882 8.0477 8.3575 8.4491 8.5360 8.7599 9.0502 9.8870 10.0687 12.8300 12.9799 13.5675 13.6191 13.6475 13.7325 13.9055 13.9508 k = 0.5625-0.0361 0.5103 ( 2613 PWs) bands (ev): -38.0383 -38.0380 -17.0422 -17.0387 -16.5430 -16.5389 -16.5360 -16.5342 1.5668 1.6168 5.7268 5.8767 6.2462 6.5913 6.7901 7.0064 7.4581 7.5190 8.0511 8.3427 8.4444 8.5229 8.7326 9.0085 9.8915 10.0743 12.8662 13.0141 13.5458 13.5995 13.6253 13.7121 13.8890 13.9298 k = 0.5556-0.0321 0.5217 ( 2607 PWs) bands (ev): -38.0383 -38.0380 -17.0422 -17.0386 -16.5429 -16.5388 -16.5360 -16.5343 1.5690 1.6196 5.7436 5.8950 6.2201 6.5650 6.7956 7.0063 7.4797 7.5595 8.0555 8.3262 8.4375 8.5034 8.7129 8.9659 9.8961 10.0791 12.9050 13.0504 13.5233 13.5798 13.6038 13.6895 13.8729 13.9090 k = 0.5486-0.0281 0.5330 ( 2609 PWs) bands (ev): -38.0383 -38.0380 -17.0422 -17.0386 -16.5429 -16.5387 -16.5361 -16.5344 1.5713 1.6225 5.7616 5.9145 6.1945 6.5373 6.8011 7.0065 7.4974 7.6039 8.0613 8.3081 8.4242 8.4829 8.7011 8.9235 9.9006 10.0831 12.9457 13.0883 13.4991 13.5597 13.5850 13.6657 13.8573 13.8887 k = 0.5417-0.0241 0.5443 ( 2603 PWs) bands (ev): -38.0383 -38.0380 -17.0423 -17.0386 -16.5429 -16.5385 -16.5362 -16.5345 1.5735 1.6254 5.7805 5.9347 6.1695 6.5094 6.8059 7.0069 7.5137 7.6486 8.0687 8.2884 8.3990 8.4693 8.6956 8.8824 9.9048 10.0865 12.9880 13.1272 13.4719 13.5393 13.5700 13.6422 13.8422 13.8690 k = 0.5347-0.0200 0.5557 ( 2606 PWs) bands (ev): -38.0383 -38.0380 -17.0423 -17.0386 -16.5428 -16.5384 -16.5363 -16.5347 1.5756 1.6280 5.7999 5.9551 6.1454 6.4823 6.8097 7.0073 7.5290 7.6915 8.0783 8.2673 8.3649 8.4631 8.6946 8.8436 9.9084 10.0891 13.0310 13.1666 13.4413 13.5182 13.5589 13.6208 13.8278 13.8505 k = 0.5278-0.0160 0.5670 ( 2604 PWs) bands (ev): -38.0383 -38.0380 -17.0423 -17.0386 -16.5428 -16.5383 -16.5364 -16.5348 1.5775 1.6305 5.8191 5.9748 6.1228 6.4569 6.8125 7.0078 7.5430 7.7305 8.0907 8.2451 8.3282 8.4606 8.6964 8.8083 9.9115 10.0911 13.0743 13.2059 13.4081 13.4953 13.5516 13.6036 13.8141 13.8334 k = 0.5208-0.0120 0.5784 ( 2598 PWs) bands (ev): -38.0383 -38.0380 -17.0423 -17.0385 -16.5428 -16.5381 -16.5364 -16.5349 1.5792 1.6325 5.8372 5.9928 6.1024 6.4344 6.8143 7.0083 7.5552 7.7632 8.1070 8.2228 8.2930 8.4599 8.7002 8.7774 9.9139 10.0925 13.1167 13.2441 13.3732 13.4696 13.5478 13.5917 13.8016 13.8186 k = 0.5139-0.0080 0.5897 ( 2600 PWs) bands (ev): -38.0383 -38.0380 -17.0423 -17.0385 -16.5428 -16.5380 -16.5365 -16.5349 1.5805 1.6342 5.8527 6.0077 6.0855 6.4163 6.8153 7.0086 7.5650 7.7873 8.1277 8.2024 8.2608 8.4600 8.7053 8.7519 9.9156 10.0935 13.1570 13.2801 13.3383 13.4421 13.5464 13.5851 13.7908 13.8069 k = 0.5069-0.0040 0.6010 ( 2608 PWs) bands (ev): -38.0383 -38.0380 -17.0424 -17.0386 -16.5428 -16.5380 -16.5366 -16.5350 1.5813 1.6352 5.8637 6.0177 6.0740 6.4043 6.8157 7.0087 7.5715 7.8014 8.1522 8.1861 8.2331 8.4604 8.7113 8.7332 9.9166 10.0940 13.1915 13.3060 13.3115 13.4162 13.5463 13.5826 13.7831 13.7991 k = 0.5000-0.0000 0.6124 ( 2608 PWs) bands (ev): -38.0383 -38.0380 -17.0424 -17.0386 -16.5428 -16.5380 -16.5366 -16.5350 1.5816 1.6356 5.8678 6.0214 6.0697 6.4000 6.8158 7.0088 7.5738 7.8056 8.1679 8.1797 8.2174 8.4605 8.7153 8.7246 9.9169 10.0941 13.2081 13.2912 13.3253 13.4033 13.5465 13.5822 13.7801 13.7963 k = 0.5000-0.0000 0.6124 ( 2608 PWs) bands (ev): -38.0383 -38.0380 -17.0424 -17.0386 -16.5428 -16.5380 -16.5366 -16.5350 1.5816 1.6356 5.8678 6.0214 6.0697 6.4000 6.8158 7.0088 7.5738 7.8056 8.1679 8.1797 8.2174 8.4605 8.7153 8.7246 9.9169 10.0941 13.2081 13.2912 13.3253 13.4033 13.5465 13.5822 13.7801 13.7963 k = 0.5000 0.0080 0.6010 ( 2608 PWs) bands (ev): -38.0383 -38.0380 -17.0424 -17.0385 -16.5428 -16.5380 -16.5366 -16.5350 1.5811 1.6350 5.8667 6.0205 6.0703 6.4003 6.8153 7.0089 7.5715 7.7966 8.1511 8.1793 8.2453 8.4631 8.7088 8.7333 9.9178 10.0951 13.2074 13.2907 13.3247 13.4045 13.5487 13.5839 13.7830 13.7995 k = 0.5000 0.0160 0.5897 ( 2602 PWs) bands (ev): -38.0383 -38.0380 -17.0423 -17.0385 -16.5428 -16.5381 -16.5365 -16.5349 1.5796 1.6334 5.8635 6.0179 6.0720 6.4014 6.8135 7.0092 7.5646 7.7720 8.1248 8.1853 8.2950 8.4704 8.7001 8.7487 9.9206 10.0980 13.2053 13.2895 13.3231 13.4079 13.5553 13.5889 13.7915 13.8089 k = 0.5000 0.0241 0.5784 ( 2602 PWs) bands (ev): -38.0383 -38.0380 -17.0423 -17.0385 -16.5428 -16.5382 -16.5363 -16.5349 1.5771 1.6308 5.8582 6.0137 6.0746 6.4032 6.8104 7.0097 7.5528 7.7372 8.1023 8.1934 8.3530 8.4811 8.6915 8.7694 9.9252 10.1028 13.2020 13.2880 13.3206 13.4132 13.5661 13.5972 13.8056 13.8244 k = 0.5000 0.0321 0.5670 ( 2606 PWs) bands (ev): -38.0383 -38.0380 -17.0423 -17.0385 -16.5428 -16.5383 -16.5361 -16.5348 1.5737 1.6271 5.8509 6.0079 6.0782 6.4059 6.8059 7.0106 7.5357 7.6979 8.0844 8.2012 8.4147 8.4948 8.6827 8.7967 9.9318 10.1096 13.1976 13.2864 13.3176 13.4200 13.5808 13.6087 13.8251 13.8453 k = 0.5000 0.0401 0.5557 ( 2606 PWs) bands (ev): -38.0383 -38.0380 -17.0423 -17.0385 -16.5428 -16.5385 -16.5359 -16.5347 1.5693 1.6224 5.8417 6.0004 6.0826 6.4093 6.7999 7.0119 7.5127 7.6584 8.0711 8.2081 8.4671 8.5203 8.6737 8.8316 9.9404 10.1183 13.1924 13.2848 13.3147 13.4281 13.5991 13.6232 13.8498 13.8715 k = 0.5000 0.0481 0.5443 ( 2608 PWs) bands (ev): -38.0383 -38.0380 -17.0422 -17.0385 -16.5428 -16.5387 -16.5357 -16.5346 1.5640 1.6168 5.8308 5.9912 6.0879 6.4135 6.7923 7.0137 7.4836 7.6219 8.0621 8.2137 8.4880 8.5762 8.6656 8.8743 9.9511 10.1291 13.1867 13.2828 13.3128 13.4371 13.6206 13.6404 13.8792 13.9023 k = 0.5000 0.0561 0.5330 ( 2610 PWs) bands (ev): -38.0383 -38.0380 -17.0422 -17.0385 -16.5428 -16.5388 -16.5355 -16.5345 1.5579 1.6102 5.8183 5.9802 6.0943 6.4184 6.7832 7.0159 7.4489 7.5897 8.0571 8.2183 8.4930 8.6302 8.6734 8.9241 9.9639 10.1419 13.1808 13.2798 13.3132 13.4469 13.6447 13.6599 13.9131 13.9375 k = 0.5000 0.0642 0.5217 ( 2612 PWs) bands (ev): -38.0384 -38.0380 -17.0422 -17.0384 -16.5428 -16.5390 -16.5353 -16.5343 1.5511 1.6028 5.8045 5.9672 6.1016 6.4238 6.7728 7.0185 7.4101 7.5619 8.0555 8.2219 8.4919 8.6315 8.7375 8.9802 9.9790 10.1567 13.1749 13.2756 13.3163 13.4575 13.6708 13.6813 13.9509 13.9767 k = 0.5000 0.0722 0.5103 ( 2612 PWs) bands (ev): -38.0384 -38.0380 -17.0421 -17.0384 -16.5428 -16.5392 -16.5350 -16.5342 1.5435 1.5945 5.7897 5.9525 6.1098 6.4293 6.7616 7.0213 7.3693 7.5374 8.0570 8.2247 8.4869 8.6203 8.8158 9.0413 9.9963 10.1735 13.1693 13.2705 13.3220 13.4686 13.6976 13.7045 13.9922 14.0195 k = 0.5000 0.0802 0.4990 ( 2614 PWs) bands (ev): -38.0384 -38.0381 -17.0420 -17.0384 -16.5428 -16.5394 -16.5347 -16.5340 1.5352 1.5855 5.7739 5.9360 6.1189 6.4346 6.7500 7.0240 7.3284 7.5156 8.0611 8.2268 8.4788 8.6069 8.8970 9.1066 10.0160 10.1923 13.1642 13.2650 13.3300 13.4803 13.7228 13.7304 14.0364 14.0653 k = 0.5000 0.0882 0.4876 ( 2610 PWs) bands (ev): -38.0384 -38.0381 -17.0419 -17.0384 -16.5427 -16.5395 -16.5344 -16.5338 1.5264 1.5759 5.7575 5.9179 6.1288 6.4390 6.7388 7.0263 7.2886 7.4957 8.0672 8.2284 8.4682 8.5926 8.9798 9.1750 10.0380 10.2129 13.1598 13.2596 13.3399 13.4924 13.7458 13.7578 14.0828 14.1137 k = 0.5000 0.0962 0.4763 ( 2614 PWs) bands (ev): -38.0384 -38.0381 -17.0419 -17.0384 -16.5427 -16.5397 -16.5342 -16.5336 1.5171 1.5657 5.7406 5.8985 6.1393 6.4420 6.7286 7.0276 7.2511 7.4773 8.0749 8.2295 8.4555 8.5777 9.0634 9.2461 10.0622 10.2353 13.1562 13.2544 13.3515 13.5049 13.7672 13.7843 14.1304 14.1638 k = 0.5000 0.1042 0.4649 ( 2604 PWs) bands (ev): -38.0384 -38.0381 -17.0418 -17.0383 -16.5427 -16.5398 -16.5338 -16.5333 1.5074 1.5550 5.7234 5.8780 6.1502 6.4431 6.7204 7.0273 7.2171 7.4602 8.0839 8.2301 8.4411 8.5625 9.1478 9.3190 10.0885 10.2593 13.1536 13.2496 13.3644 13.5176 13.7867 13.8085 14.1775 14.2150 k = 0.5000 0.1123 0.4536 ( 2604 PWs) bands (ev): -38.0384 -38.0381 -17.0417 -17.0383 -16.5427 -16.5400 -16.5335 -16.5331 1.4974 1.5438 5.7061 5.8566 6.1615 6.4415 6.7147 7.0243 7.1877 7.4441 8.0937 8.2304 8.4251 8.5472 9.2325 9.3935 10.1169 10.2847 13.1519 13.2454 13.3785 13.5304 13.8035 13.8291 14.2222 14.2670 k = 0.5000 0.1203 0.4423 ( 2606 PWs) bands (ev): -38.0385 -38.0382 -17.0416 -17.0383 -16.5427 -16.5402 -16.5332 -16.5328 1.4872 1.5323 5.6888 5.8345 6.1729 6.4373 6.7120 7.0178 7.1641 7.4289 8.1041 8.2303 8.4080 8.5321 9.3174 9.4691 10.1471 10.3113 13.1513 13.2417 13.3935 13.5432 13.8172 13.8457 14.2633 14.3192 k = 0.5000 0.1283 0.4309 ( 2612 PWs) bands (ev): -38.0385 -38.0382 -17.0415 -17.0383 -16.5428 -16.5404 -16.5329 -16.5326 1.4768 1.5205 5.6716 5.8120 6.1843 6.4302 6.7122 7.0068 7.1470 7.4145 8.1146 8.2299 8.3899 8.5173 9.4024 9.5454 10.1789 10.3388 13.1517 13.2385 13.4093 13.5559 13.8274 13.8578 14.3017 14.3703 k = 0.5000 0.1363 0.4196 ( 2608 PWs) bands (ev): -38.0385 -38.0382 -17.0414 -17.0382 -16.5428 -16.5405 -16.5326 -16.5323 1.4663 1.5086 5.6547 5.7893 6.1956 6.4208 6.7151 6.9919 7.1363 7.4006 8.1252 8.2293 8.3711 8.5030 9.4873 9.6223 10.2121 10.3671 13.1532 13.2358 13.4255 13.5684 13.8340 13.8658 14.3386 14.4183 k = 0.5000 0.1443 0.4082 ( 2600 PWs) bands (ev): -38.0385 -38.0382 -17.0412 -17.0382 -16.5428 -16.5407 -16.5323 -16.5320 1.4559 1.4966 5.6382 5.7665 6.2065 6.4095 6.7202 6.9743 7.1307 7.3873 8.1353 8.2286 8.3519 8.4893 9.5720 9.6994 10.2463 10.3957 13.1558 13.2336 13.4421 13.5807 13.8371 13.8700 14.3736 14.4616 k = 0.5000 0.1524 0.3969 ( 2604 PWs) bands (ev): -38.0385 -38.0383 -17.0411 -17.0382 -16.5428 -16.5409 -16.5320 -16.5317 1.4455 1.4846 5.6222 5.7439 6.2168 6.3970 6.7270 6.9555 7.1287 7.3743 8.1448 8.2281 8.3326 8.4761 9.6564 9.7765 10.2813 10.4245 13.1592 13.2316 13.4588 13.5925 13.8370 13.8709 14.4046 14.4973 k = 0.5000 0.1604 0.3856 ( 2608 PWs) bands (ev): -38.0385 -38.0383 -17.0410 -17.0382 -16.5428 -16.5410 -16.5317 -16.5315 1.4354 1.4727 5.6067 5.7216 6.2266 6.3839 6.7347 6.9369 7.1290 7.3618 8.1532 8.2279 8.3135 8.4637 9.7401 9.8533 10.3167 10.4531 13.1634 13.2298 13.4755 13.6039 13.8343 13.8693 14.4281 14.5209 k = 0.5000 0.1684 0.3742 ( 2604 PWs) bands (ev): -38.0386 -38.0383 -17.0409 -17.0382 -16.5428 -16.5412 -16.5314 -16.5312 1.4255 1.4610 5.5920 5.6998 6.2356 6.3705 6.7429 6.9191 7.1308 7.3495 8.1602 8.2284 8.2949 8.4519 9.8231 9.9295 10.3523 10.4812 13.1682 13.2280 13.4921 13.6148 13.8293 13.8656 14.4392 14.5273 k = 0.5000 0.1764 0.3629 ( 2604 PWs) bands (ev): -38.0386 -38.0384 -17.0408 -17.0382 -16.5428 -16.5413 -16.5311 -16.5309 1.4160 1.4495 5.5780 5.6786 6.2438 6.3575 6.7512 6.9028 7.1338 7.3376 8.1654 8.2295 8.2774 8.4409 9.9052 10.0047 10.3877 10.5087 13.1733 13.2257 13.5083 13.6251 13.8228 13.8604 14.4334 14.5134 k = 0.5000 0.1844 0.3515 ( 2604 PWs) bands (ev): -38.0386 -38.0384 -17.0407 -17.0382 -16.5428 -16.5415 -16.5308 -16.5307 1.4068 1.4383 5.5648 5.6581 6.2511 6.3449 6.7592 6.8880 7.1375 7.3259 8.1685 8.2305 8.2622 8.4304 9.9859 10.0787 10.4226 10.5351 13.1784 13.2230 13.5241 13.6347 13.8151 13.8541 14.4087 14.4800 k = 0.5000 0.1925 0.3402 ( 2602 PWs) bands (ev): -38.0386 -38.0384 -17.0405 -17.0382 -16.5429 -16.5416 -16.5305 -16.5304 1.3982 1.4276 5.5526 5.6385 6.2574 6.3332 6.7667 6.8750 7.1418 7.3146 8.1696 8.2277 8.2531 8.4206 10.0649 10.1508 10.4569 10.5605 13.1830 13.2193 13.5394 13.6437 13.8069 13.8471 14.3674 14.4314 k = 0.5000 0.2005 0.3289 ( 2596 PWs) bands (ev): -38.0386 -38.0384 -17.0404 -17.0383 -16.5428 -16.5417 -16.5302 -16.5302 1.3901 1.4173 5.5413 5.6199 6.2626 6.3225 6.7735 6.8637 7.1466 7.3036 8.1692 8.2180 8.2533 8.4113 10.1418 10.2206 10.4903 10.5845 13.1867 13.2146 13.5543 13.6522 13.7987 13.8398 14.3141 14.3729 k = 0.5000 0.2085 0.3175 ( 2598 PWs) bands (ev): -38.0386 -38.0385 -17.0402 -17.0383 -16.5429 -16.5419 -16.5300 -16.5300 1.3827 1.4076 5.5311 5.6023 6.2669 6.3128 6.7795 6.8540 7.1517 7.2929 8.1675 8.2056 8.2581 8.4025 10.2159 10.2873 10.5228 10.6070 13.1888 13.2086 13.5687 13.6602 13.7910 13.8325 14.2540 14.3091 k = 0.5000 0.2165 0.3062 ( 2600 PWs) bands (ev): -38.0386 -38.0385 -17.0401 -17.0383 -16.5429 -16.5420 -16.5298 -16.5298 1.3759 1.3985 5.5219 5.5859 6.2702 6.3042 6.7847 6.8459 7.1571 7.2827 8.1649 8.1934 8.2645 8.3942 10.2867 10.3500 10.5543 10.6280 13.1883 13.2015 13.5830 13.6680 13.7842 13.8255 14.1916 14.2435 k = 0.5000 0.2245 0.2948 ( 2592 PWs) bands (ev): -38.0386 -38.0385 -17.0400 -17.0384 -16.5429 -16.5421 -16.5296 -16.5295 1.3698 1.3901 5.5140 5.5706 6.2726 6.2969 6.7892 6.8392 7.1626 7.2728 8.1619 8.1823 8.2716 8.3862 10.3532 10.4077 10.5850 10.6475 13.1842 13.1941 13.5974 13.6759 13.7789 13.8190 14.1300 14.1784 k = 0.5000 0.2325 0.2835 ( 2594 PWs) bands (ev): -38.0386 -38.0385 -17.0398 -17.0384 -16.5429 -16.5422 -16.5294 -16.5294 1.3645 1.3823 5.5072 5.5567 6.2741 6.2906 6.7931 6.8337 7.1683 7.2634 8.1586 8.1725 8.2789 8.3785 10.4146 10.4592 10.6151 10.6656 13.1757 13.1868 13.6124 13.6843 13.7751 13.8130 14.0712 14.1155 k = 0.5000 0.2406 0.2722 ( 2600 PWs) bands (ev): -38.0386 -38.0385 -17.0397 -17.0385 -16.5429 -16.5423 -16.5293 -16.5292 1.3599 1.3753 5.5017 5.5440 6.2750 6.2855 6.7963 6.8291 7.1740 7.2545 8.1553 8.1642 8.2862 8.3711 10.4695 10.5035 10.6444 10.6825 13.1646 13.1783 13.6285 13.6935 13.7729 13.8077 14.0167 14.0558 k = 0.5000 0.2486 0.2608 ( 2594 PWs) bands (ev): -38.0386 -38.0386 -17.0396 -17.0386 -16.5428 -16.5424 -16.5291 -16.5291 1.3563 1.3691 5.4976 5.5327 6.2753 6.2815 6.7992 6.8254 7.1798 7.2460 8.1520 8.1573 8.2936 8.3638 10.5169 10.5400 10.6727 10.6984 13.1529 13.1681 13.6463 13.7041 13.7722 13.8029 13.9672 14.0001 k = 0.5000 0.2566 0.2495 ( 2600 PWs) bands (ev): -38.0386 -38.0386 -17.0395 -17.0387 -16.5429 -16.5425 -16.5290 -16.5290 1.3535 1.3638 5.4947 5.5227 6.2752 6.2784 6.8018 6.8221 7.1856 7.2380 8.1491 8.1518 8.3009 8.3568 10.5554 10.5687 10.6987 10.7135 13.1417 13.1567 13.6663 13.7163 13.7729 13.7986 13.9229 13.9486 k = 0.5000 0.2646 0.2381 ( 2606 PWs) bands (ev): -38.0386 -38.0386 -17.0394 -17.0388 -16.5429 -16.5426 -16.5289 -16.5289 1.3515 1.3593 5.4932 5.5142 6.2749 6.2762 6.8043 6.8191 7.1915 7.2304 8.1465 8.1477 8.3081 8.3498 10.5843 10.5904 10.7209 10.7276 13.1321 13.1453 13.6887 13.7306 13.7745 13.7946 13.8838 13.9015 k = 0.5000 0.2726 0.2268 ( 2608 PWs) bands (ev): -38.0386 -38.0386 -17.0393 -17.0389 -16.5428 -16.5426 -16.5289 -16.5289 1.3505 1.3557 5.4931 5.5071 6.2744 6.2748 6.8067 6.8165 7.1974 7.2232 8.1445 8.1449 8.3151 8.3429 10.6036 10.6055 10.7377 10.7398 13.1253 13.1350 13.7135 13.7469 13.7767 13.7911 13.8497 13.8593 k = 0.5000 0.2807 0.2155 ( 2608 PWs) bands (ev): -38.0386 -38.0386 -17.0392 -17.0390 -16.5428 -16.5427 -16.5288 -16.5288 1.3504 1.3530 5.4945 5.5014 6.2740 6.2741 6.8091 6.8139 7.2035 7.2163 8.1432 8.1433 8.3221 8.3360 10.6144 10.6146 10.7480 10.7482 13.1220 13.1271 13.7399 13.7637 13.7789 13.7888 13.8207 13.8233 k = 0.5000 0.2887 0.2041 ( 2608 PWs) bands (ev): -38.0386 -38.0386 -17.0391 -17.0391 -16.5427 -16.5427 -16.5288 -16.5288 1.3513 1.3513 5.4972 5.4972 6.2739 6.2739 6.8115 6.8115 7.2098 7.2098 8.1428 8.1428 8.3291 8.3291 10.6177 10.6177 10.7514 10.7514 13.1226 13.1226 13.7630 13.7630 13.7875 13.7875 13.8036 13.8036 k = 0.5000 0.2887 0.2041 ( 2608 PWs) bands (ev): -38.0386 -38.0386 -17.0391 -17.0391 -16.5427 -16.5427 -16.5288 -16.5288 1.3513 1.3513 5.4972 5.4972 6.2739 6.2739 6.8115 6.8115 7.2098 7.2098 8.1428 8.1428 8.3291 8.3291 10.6177 10.6177 10.7514 10.7514 13.1226 13.1226 13.7630 13.7630 13.7875 13.7875 13.8036 13.8036 k = 0.4960 0.2863 0.2173 ( 2608 PWs) bands (ev): -38.0386 -38.0386 -17.0392 -17.0390 -16.5428 -16.5427 -16.5288 -16.5288 1.3504 1.3531 5.4945 5.5015 6.2741 6.2741 6.8091 6.8140 7.2035 7.2164 8.1433 8.1433 8.3221 8.3360 10.6144 10.6145 10.7480 10.7481 13.1220 13.1272 13.7398 13.7634 13.7796 13.7882 13.8215 13.8229 k = 0.4919 0.2840 0.2305 ( 2609 PWs) bands (ev): -38.0386 -38.0386 -17.0393 -17.0389 -16.5428 -16.5426 -16.5289 -16.5289 1.3505 1.3558 5.4931 5.5072 6.2746 6.2747 6.8067 6.8165 7.1974 7.2233 8.1447 8.1448 8.3151 8.3429 10.6040 10.6048 10.7381 10.7391 13.1254 13.1351 13.7134 13.7458 13.7801 13.7880 13.8512 13.8589 k = 0.4879 0.2817 0.2436 ( 2602 PWs) bands (ev): -38.0386 -38.0386 -17.0394 -17.0388 -16.5428 -16.5426 -16.5289 -16.5289 1.3516 1.3594 5.4932 5.5143 6.2754 6.2757 6.8043 6.8192 7.1914 7.2305 8.1470 8.1473 8.3079 8.3499 10.5854 10.5884 10.7224 10.7257 13.1323 13.1454 13.6888 13.7289 13.7806 13.7888 13.8861 13.9013 k = 0.4839 0.2794 0.2568 ( 2600 PWs) bands (ev): -38.0386 -38.0386 -17.0395 -17.0387 -16.5429 -16.5425 -16.5290 -16.5290 1.3535 1.3639 5.4948 5.5229 6.2766 6.2771 6.8019 6.8220 7.1854 7.2382 8.1501 8.1510 8.3007 8.3569 10.5578 10.5644 10.7023 10.7097 13.1419 13.1568 13.6672 13.7141 13.7810 13.7902 13.9260 13.9485 k = 0.4798 0.2770 0.2700 ( 2599 PWs) bands (ev): -38.0386 -38.0386 -17.0396 -17.0386 -16.5429 -16.5424 -16.5291 -16.5291 1.3564 1.3693 5.4976 5.5330 6.2779 6.2790 6.7995 6.8251 7.1795 7.2463 8.1539 8.1556 8.2934 8.3640 10.5207 10.5324 10.6794 10.6923 13.1533 13.1677 13.6489 13.7016 13.7816 13.7919 13.9713 14.0002 k = 0.4758 0.2747 0.2831 ( 2594 PWs) bands (ev): -38.0386 -38.0385 -17.0397 -17.0385 -16.5429 -16.5423 -16.5292 -16.5292 1.3601 1.3756 5.5019 5.5444 6.2794 6.2812 6.7971 6.8285 7.1736 7.2549 8.1584 8.1614 8.2860 8.3713 10.4747 10.4920 10.6548 10.6740 13.1653 13.1766 13.6341 13.6914 13.7824 13.7940 14.0218 14.0562 k = 0.4718 0.2724 0.2963 ( 2598 PWs) bands (ev): -38.0386 -38.0385 -17.0399 -17.0384 -16.5429 -16.5422 -16.5294 -16.5294 1.3647 1.3826 5.5074 5.5572 6.2810 6.2839 6.7946 6.8322 7.1677 7.2640 8.1635 8.1682 8.2786 8.3788 10.4208 10.4438 10.6293 10.6550 13.1766 13.1822 13.6229 13.6835 13.7834 13.7964 14.0774 14.1161 k = 0.4677 0.2701 0.3095 ( 2604 PWs) bands (ev): -38.0386 -38.0385 -17.0400 -17.0384 -16.5429 -16.5421 -16.5296 -16.5296 1.3700 1.3904 5.5142 5.5713 6.2827 6.2869 6.7922 6.8365 7.1616 7.2735 8.1689 8.1761 8.2714 8.3865 10.3603 10.3887 10.6028 10.6349 13.1837 13.1865 13.6152 13.6777 13.7847 13.7990 14.1372 14.1793 k = 0.4637 0.2677 0.3226 ( 2602 PWs) bands (ev): -38.0386 -38.0385 -17.0401 -17.0384 -16.5429 -16.5420 -16.5298 -16.5297 1.3762 1.3989 5.5221 5.5866 6.2844 6.2904 6.7898 6.8413 7.1555 7.2836 8.1744 8.1850 8.2645 8.3945 10.2943 10.3280 10.5754 10.6139 13.1807 13.1940 13.6105 13.6742 13.7864 13.8020 14.1999 14.2448 k = 0.4597 0.2654 0.3358 ( 2601 PWs) bands (ev): -38.0386 -38.0385 -17.0403 -17.0383 -16.5429 -16.5419 -16.5301 -16.5299 1.3831 1.4081 5.5311 5.6032 6.2861 6.2942 6.7875 6.8468 7.1492 7.2940 8.1796 8.1948 8.2585 8.4029 10.2241 10.2628 10.5469 10.5916 13.1732 13.1987 13.6086 13.6727 13.7883 13.8052 14.2633 14.3110 k = 0.4556 0.2631 0.3490 ( 2601 PWs) bands (ev): -38.0386 -38.0384 -17.0404 -17.0383 -16.5429 -16.5417 -16.5303 -16.5301 1.3906 1.4179 5.5412 5.6208 6.2877 6.2983 6.7853 6.8531 7.1428 7.3049 8.1836 8.2054 8.2540 8.4117 10.1505 10.1942 10.5172 10.5681 13.1616 13.2002 13.6087 13.6730 13.7906 13.8086 14.3242 14.3757 k = 0.4516 0.2607 0.3622 ( 2599 PWs) bands (ev): -38.0386 -38.0384 -17.0405 -17.0382 -16.5428 -16.5416 -16.5306 -16.5304 1.3988 1.4283 5.5520 5.6393 6.2893 6.3028 6.7832 6.8602 7.1363 7.3160 8.1855 8.2168 8.2522 8.4210 10.0745 10.1231 10.4863 10.5434 13.1464 13.1986 13.6103 13.6749 13.7932 13.8123 14.3782 14.4354 k = 0.4476 0.2584 0.3753 ( 2603 PWs) bands (ev): -38.0386 -38.0384 -17.0407 -17.0382 -16.5428 -16.5415 -16.5309 -16.5306 1.4075 1.4390 5.5636 5.6586 6.2908 6.3077 6.7813 6.8683 7.1296 7.3272 8.1842 8.2288 8.2539 8.4308 9.9967 10.0504 10.4542 10.5177 13.1282 13.1937 13.6129 13.6782 13.7962 13.8162 14.4196 14.4853 k = 0.4435 0.2561 0.3885 ( 2603 PWs) bands (ev): -38.0386 -38.0384 -17.0408 -17.0382 -16.5428 -16.5413 -16.5312 -16.5308 1.4167 1.4502 5.5758 5.6786 6.2924 6.3129 6.7798 6.8775 7.1228 7.3385 8.1796 8.2414 8.2595 8.4412 9.9179 9.9767 10.4211 10.4909 13.1076 13.1859 13.6161 13.6826 13.7995 13.8202 14.4431 14.5189 k = 0.4395 0.2538 0.4017 ( 2599 PWs) bands (ev): -38.0386 -38.0383 -17.0409 -17.0382 -16.5428 -16.5411 -16.5315 -16.5311 1.4262 1.4617 5.5884 5.6989 6.2940 6.3187 6.7786 6.8877 7.1158 7.3497 8.1724 8.2543 8.2682 8.4521 9.8386 9.9028 10.3870 10.4634 13.0849 13.1754 13.6196 13.6877 13.8032 13.8244 14.4468 14.5303 k = 0.4355 0.2514 0.4148 ( 2603 PWs) bands (ev): -38.0385 -38.0383 -17.0410 -17.0382 -16.5428 -16.5410 -16.5318 -16.5313 1.4361 1.4734 5.6012 5.7194 6.2958 6.3250 6.7778 6.8991 7.1086 7.3606 8.1635 8.2674 8.2792 8.4636 9.7595 9.8292 10.3522 10.4352 13.0607 13.1625 13.6231 13.6933 13.8071 13.8288 14.4339 14.5187 k = 0.4315 0.2491 0.4280 ( 2601 PWs) bands (ev): -38.0385 -38.0383 -17.0411 -17.0382 -16.5428 -16.5409 -16.5321 -16.5315 1.4463 1.4852 5.6139 5.7396 6.2980 6.3320 6.7776 6.9117 7.1014 7.3711 8.1533 8.2806 8.2922 8.4756 9.6811 9.7567 10.3168 10.4064 13.0352 13.1473 13.6266 13.6991 13.8113 13.8332 14.4100 14.4901 k = 0.4274 0.2468 0.4412 ( 2606 PWs) bands (ev): -38.0385 -38.0382 -17.0413 -17.0382 -16.5428 -16.5407 -16.5325 -16.5318 1.4566 1.4970 5.6264 5.7593 6.3006 6.3399 6.7781 6.9254 7.0940 7.3810 8.1424 8.2938 8.3067 8.4879 9.6038 9.6859 10.2810 10.3772 13.0087 13.1302 13.6300 13.7051 13.8158 13.8376 14.3806 14.4519 k = 0.4234 0.2444 0.4543 ( 2598 PWs) bands (ev): -38.0385 -38.0382 -17.0413 -17.0382 -16.5428 -16.5405 -16.5328 -16.5320 1.4669 1.5088 5.6382 5.7780 6.3039 6.3489 6.7793 6.9403 7.0865 7.3901 8.1311 8.3067 8.3225 8.5004 9.5282 9.6173 10.2450 10.3478 12.9816 13.1114 13.6333 13.7110 13.8204 13.8419 14.3494 14.4102 k = 0.4194 0.2421 0.4675 ( 2599 PWs) bands (ev): -38.0385 -38.0382 -17.0414 -17.0382 -16.5428 -16.5404 -16.5331 -16.5322 1.4772 1.5203 5.6492 5.7953 6.3081 6.3593 6.7812 6.9563 7.0789 7.3982 8.1196 8.3193 8.3395 8.5128 9.4547 9.5517 10.2090 10.3183 12.9540 13.0911 13.6365 13.7166 13.8250 13.8461 14.3188 14.3685 k = 0.4153 0.2398 0.4807 ( 2603 PWs) bands (ev): -38.0385 -38.0382 -17.0415 -17.0383 -16.5428 -16.5402 -16.5335 -16.5324 1.4874 1.5316 5.6590 5.8106 6.3134 6.3713 6.7841 6.9733 7.0714 7.4052 8.1081 8.3314 8.3576 8.5247 9.3838 9.4898 10.1732 10.2889 12.9263 13.0695 13.6398 13.7220 13.8297 13.8500 14.2902 14.3286 k = 0.4113 0.2375 0.4938 ( 2601 PWs) bands (ev): -38.0384 -38.0381 -17.0416 -17.0383 -16.5428 -16.5401 -16.5338 -16.5325 1.4973 1.5425 5.6674 5.8235 6.3199 6.3853 6.7879 6.9913 7.0639 7.4110 8.0969 8.3430 8.3766 8.5355 9.3160 9.4324 10.1378 10.2597 12.8985 13.0470 13.6431 13.7271 13.8342 13.8533 14.2644 14.2913 k = 0.4073 0.2351 0.5070 ( 2601 PWs) bands (ev): -38.0384 -38.0381 -17.0417 -17.0384 -16.5429 -16.5399 -16.5341 -16.5327 1.5068 1.5528 5.6740 5.8336 6.3278 6.4015 6.7929 7.0101 7.0566 7.4155 8.0862 8.3539 8.3963 8.5447 9.2517 9.3803 10.1031 10.2308 12.8709 13.0236 13.6468 13.7319 13.8384 13.8557 14.2416 14.2552 k = 0.4032 0.2328 0.5202 ( 2599 PWs) bands (ev): -38.0384 -38.0381 -17.0418 -17.0384 -16.5429 -16.5398 -16.5344 -16.5329 1.5158 1.5625 5.6787 5.8404 6.3371 6.4198 6.7990 7.0297 7.0494 7.4186 8.0762 8.3642 8.4165 8.5516 9.1915 9.3345 10.0692 10.2023 12.8437 12.9997 13.6509 13.7364 13.8420 13.8567 14.2157 14.2212 k = 0.3992 0.2305 0.5334 ( 2598 PWs) bands (ev): -38.0384 -38.0381 -17.0418 -17.0384 -16.5429 -16.5397 -16.5347 -16.5330 1.5243 1.5714 5.6813 5.8438 6.3480 6.4405 6.8066 7.0426 7.0499 7.4205 8.0672 8.3737 8.4367 8.5553 9.1359 9.2959 10.0364 10.1744 12.8172 12.9754 13.6556 13.7407 13.8443 13.8555 14.1691 14.2010 k = 0.3952 0.2281 0.5465 ( 2598 PWs) bands (ev): -38.0384 -38.0381 -17.0419 -17.0385 -16.5429 -16.5396 -16.5349 -16.5331 1.5320 1.5794 5.6816 5.8435 6.3602 6.4631 6.8156 7.0362 7.0705 7.4214 8.0592 8.3824 8.4564 8.5552 9.0858 9.2652 10.0049 10.1472 12.7914 12.9510 13.6612 13.7449 13.8444 13.8509 14.1203 14.1753 k = 0.3911 0.2258 0.5597 ( 2594 PWs) bands (ev): -38.0384 -38.0381 -17.0419 -17.0385 -16.5429 -16.5395 -16.5351 -16.5332 1.5389 1.5864 5.6796 5.8397 6.3738 6.4875 6.8266 7.0303 7.0914 7.4214 8.0524 8.3902 8.4749 8.5508 9.0419 9.2431 9.9749 10.1208 12.7665 12.9267 13.6676 13.7490 13.8407 13.8413 14.0753 14.1422 k = 0.3871 0.2235 0.5729 ( 2600 PWs) bands (ev): -38.0383 -38.0380 -17.0420 -17.0386 -16.5430 -16.5394 -16.5353 -16.5333 1.5448 1.5922 5.6753 5.8324 6.3884 6.5130 6.8396 7.0249 7.1123 7.4211 8.0470 8.3970 8.4912 8.5420 9.0053 9.2297 9.9466 10.0952 12.7427 12.9028 13.6750 13.7528 13.8252 13.8309 14.0389 14.1116 k = 0.3831 0.2212 0.5860 ( 2602 PWs) bands (ev): -38.0383 -38.0380 -17.0420 -17.0386 -16.5430 -16.5394 -16.5355 -16.5334 1.5496 1.5968 5.6689 5.8219 6.4039 6.5390 6.8552 7.0202 7.1328 7.4209 8.0430 8.4027 8.5041 8.5292 8.9773 9.2248 9.9202 10.0706 12.7202 12.8794 13.6832 13.7548 13.8020 13.8144 14.0143 14.0895 k = 0.3790 0.2188 0.5992 ( 2604 PWs) bands (ev): -38.0383 -38.0380 -17.0420 -17.0387 -16.5431 -16.5394 -16.5356 -16.5334 1.5532 1.6000 5.6604 5.8085 6.4198 6.5648 6.8737 7.0163 7.1525 7.4215 8.0404 8.4071 8.5125 8.5132 8.9590 9.2278 9.8959 10.0471 12.6989 12.8568 13.6912 13.7483 13.7735 13.7982 14.0020 14.0767 k = 0.3750 0.2165 0.6124 ( 2600 PWs) bands (ev): -38.0383 -38.0380 -17.0420 -17.0387 -16.5431 -16.5394 -16.5356 -16.5334 1.5555 1.6016 5.6501 5.7925 6.4360 6.5896 6.8953 7.0132 7.1709 7.4237 8.0393 8.4097 8.4954 8.5156 8.9513 9.2378 9.8738 10.0248 12.6792 12.8350 13.6937 13.7236 13.7469 13.7949 13.9994 14.0720 k = 0.6250-0.0722 0.4082 ( 2600 PWs) bands (ev): -38.0383 -38.0380 -17.0420 -17.0387 -16.5431 -16.5394 -16.5356 -16.5334 1.5555 1.6016 5.6501 5.7925 6.4360 6.5896 6.8953 7.0132 7.1709 7.4237 8.0393 8.4097 8.4954 8.5156 8.9513 9.2378 9.8738 10.0248 12.6792 12.8350 13.6937 13.7236 13.7469 13.7949 13.9994 14.0720 k = 0.6181-0.0842 0.4082 ( 2600 PWs) bands (ev): -38.0383 -38.0380 -17.0420 -17.0388 -16.5431 -16.5395 -16.5356 -16.5335 1.5577 1.6026 5.6305 5.7627 6.4642 6.6303 6.9373 7.0092 7.1995 7.4313 8.0393 8.4081 8.4682 8.5134 8.9512 9.2611 9.8384 9.9875 12.6472 12.7987 13.6532 13.6614 13.7449 13.8074 14.0026 14.0706 k = 0.6111-0.0962 0.4082 ( 2604 PWs) bands (ev): -38.0383 -38.0380 -17.0420 -17.0389 -16.5431 -16.5396 -16.5357 -16.5335 1.5591 1.6024 5.6107 5.7330 6.4926 6.6687 6.9816 7.0071 7.2242 7.4434 8.0408 8.3932 8.4546 8.5059 8.9593 9.2858 9.8039 9.9508 12.6170 12.7631 13.5914 13.5962 13.7665 13.8251 14.0070 14.0704 k = 0.6042-0.1083 0.4082 ( 2606 PWs) bands (ev): -38.0383 -38.0380 -17.0420 -17.0390 -16.5432 -16.5398 -16.5356 -16.5336 1.5598 1.6014 5.5910 5.7037 6.5208 6.7048 6.9987 7.0359 7.2433 7.4609 8.0432 8.3660 8.4539 8.4938 8.9753 9.3116 9.7705 9.9147 12.5884 12.7284 13.5290 13.5326 13.7914 13.8447 14.0118 14.0706 k = 0.5972-0.1203 0.4082 ( 2606 PWs) bands (ev): -38.0383 -38.0380 -17.0419 -17.0391 -16.5432 -16.5400 -16.5355 -16.5336 1.5599 1.5996 5.5717 5.6753 6.5487 6.7384 6.9962 7.0872 7.2563 7.4842 8.0461 8.3345 8.4579 8.4783 8.9985 9.3382 9.7384 9.8794 12.5615 12.6946 13.4688 13.4714 13.8172 13.8651 14.0166 14.0709 k = 0.5903-0.1323 0.4082 ( 2606 PWs) bands (ev): -38.0383 -38.0380 -17.0419 -17.0392 -16.5432 -16.5401 -16.5355 -16.5336 1.5596 1.5971 5.5531 5.6478 6.5759 6.7697 6.9930 7.1412 7.2632 7.5124 8.0489 8.3021 8.4609 8.4633 9.0279 9.3655 9.7077 9.8447 12.5363 12.6618 13.4114 13.4134 13.8433 13.8858 14.0212 14.0711 k = 0.5833-0.1443 0.4082 ( 2608 PWs) bands (ev): -38.0382 -38.0380 -17.0418 -17.0393 -16.5432 -16.5403 -16.5354 -16.5336 1.5590 1.5942 5.5354 5.6216 6.6023 6.7990 6.9896 7.1966 7.2651 7.5443 8.0509 8.2699 8.4430 8.4689 9.0624 9.3930 9.6785 9.8110 12.5127 12.6301 13.3573 13.3589 13.8692 13.9065 14.0254 14.0712 k = 0.5764-0.1564 0.4082 ( 2602 PWs) bands (ev): -38.0382 -38.0380 -17.0417 -17.0394 -16.5432 -16.5405 -16.5352 -16.5336 1.5581 1.5910 5.5189 5.5969 6.6280 6.8262 6.9863 7.2525 7.2629 7.5783 8.0511 8.2383 8.4262 8.4742 9.1011 9.4202 9.6511 9.7783 12.4908 12.5994 13.3069 13.3080 13.8944 13.9268 14.0294 14.0710 k = 0.5694-0.1684 0.4082 ( 2598 PWs) bands (ev): -38.0382 -38.0380 -17.0417 -17.0395 -16.5431 -16.5407 -16.5351 -16.5336 1.5571 1.5874 5.5036 5.5736 6.6527 6.8513 6.9832 7.2575 7.3083 7.6132 8.0488 8.2076 8.4116 8.4787 9.1431 9.4469 9.6258 9.7467 12.4704 12.5699 13.2602 13.2611 13.9186 13.9465 14.0331 14.0707 k = 0.5625-0.1804 0.4082 ( 2602 PWs) bands (ev): -38.0382 -38.0380 -17.0416 -17.0396 -16.5431 -16.5409 -16.5350 -16.5336 1.5561 1.5838 5.4896 5.5520 6.6766 6.8739 6.9808 7.2496 7.3635 7.6481 8.0431 8.1778 8.4004 8.4824 9.1872 9.4722 9.6026 9.7164 12.4517 12.5417 13.2175 13.2181 13.9416 13.9653 14.0364 14.0701 k = 0.5556-0.1925 0.4082 ( 2598 PWs) bands (ev): -38.0382 -38.0380 -17.0415 -17.0397 -16.5431 -16.5411 -16.5348 -16.5336 1.5552 1.5800 5.4772 5.5321 6.6996 6.8926 6.9806 7.2394 7.4176 7.6822 8.0333 8.1490 8.3934 8.4848 9.2327 9.4955 9.5820 9.6875 12.4348 12.5149 13.1789 13.1794 13.9630 13.9828 14.0395 14.0692 k = 0.5486-0.2045 0.4082 ( 2606 PWs) bands (ev): -38.0382 -38.0380 -17.0414 -17.0399 -16.5431 -16.5413 -16.5347 -16.5337 1.5544 1.5763 5.4665 5.5140 6.7218 6.9055 6.9846 7.2275 7.4703 7.7150 8.0194 8.1211 8.3907 8.4858 9.2785 9.5162 9.5641 9.6603 12.4196 12.4897 13.1446 13.1449 13.9825 13.9990 14.0423 14.0682 k = 0.5417-0.2165 0.4082 ( 2606 PWs) bands (ev): -38.0382 -38.0380 -17.0413 -17.0400 -16.5430 -16.5415 -16.5346 -16.5337 1.5538 1.5728 5.4574 5.4979 6.7432 6.9106 6.9946 7.2139 7.5214 7.7460 8.0017 8.0942 8.3921 8.4853 9.3237 9.5333 9.5494 9.6350 12.4065 12.4664 13.1146 13.1149 14.0001 14.0134 14.0450 14.0670 k = 0.5347-0.2285 0.4082 ( 2594 PWs) bands (ev): -38.0382 -38.0381 -17.0412 -17.0401 -16.5429 -16.5417 -16.5344 -16.5337 1.5535 1.5694 5.4501 5.4836 6.7638 6.9089 7.0100 7.1990 7.5705 7.7744 7.9812 8.0683 8.3971 8.4830 9.3671 9.5367 9.5476 9.6118 12.3955 12.4452 13.0892 13.0893 14.0155 14.0260 14.0475 14.0657 k = 0.5278-0.2406 0.4082 ( 2598 PWs) bands (ev): -38.0381 -38.0381 -17.0411 -17.0402 -16.5429 -16.5419 -16.5343 -16.5337 1.5534 1.5662 5.4446 5.4713 6.7835 6.9024 7.0283 7.1828 7.6177 7.7988 7.9596 8.0431 8.4047 8.4790 9.4078 9.5286 9.5558 9.5910 12.3869 12.4265 13.0681 13.0683 14.0285 14.0364 14.0498 14.0642 k = 0.5208-0.2526 0.4082 ( 2594 PWs) bands (ev): -38.0381 -38.0381 -17.0410 -17.0403 -16.5428 -16.5420 -16.5342 -16.5337 1.5537 1.5634 5.4410 5.4610 6.8024 6.8929 7.0481 7.1655 7.6625 7.8162 7.9407 8.0187 8.4143 8.4732 9.4447 9.5235 9.5591 9.5730 12.3809 12.4105 13.0518 13.0519 14.0390 14.0445 14.0521 14.0625 k = 0.5139-0.2646 0.4082 ( 2586 PWs) bands (ev): -38.0381 -38.0381 -17.0409 -17.0404 -16.5427 -16.5422 -16.5341 -16.5338 1.5544 1.5608 5.4394 5.4526 6.8203 6.8812 7.0684 7.1474 7.7048 7.8202 7.9314 7.9952 8.4250 8.4658 9.4768 9.5215 9.5570 9.5581 12.3779 12.3975 13.0401 13.0401 14.0469 14.0501 14.0543 14.0607 k = 0.5069-0.2766 0.4082 ( 2586 PWs) bands (ev): -38.0381 -38.0381 -17.0407 -17.0405 -16.5426 -16.5423 -16.5340 -16.5338 1.5554 1.5586 5.4397 5.4463 6.8373 6.8679 7.0888 7.1284 7.7439 7.8060 7.9367 7.9728 8.4360 8.4569 9.5024 9.5215 9.5473 9.5501 12.3779 12.3877 13.0330 13.0331 14.0522 14.0536 14.0558 14.0588 k = 0.5000-0.2887 0.4082 ( 2586 PWs) bands (ev): -38.0381 -38.0381 -17.0406 -17.0406 -16.5424 -16.5424 -16.5339 -16.5339 1.5568 1.5568 5.4420 5.4420 6.8532 6.8532 7.1088 7.1088 7.7786 7.7786 7.9524 7.9524 8.4468 8.4468 9.5183 9.5183 9.5438 9.5438 12.3811 12.3811 13.0307 13.0307 14.0548 14.0548 14.0569 14.0569 Writing output data file ScSbPt.save init_run : 1.10s CPU 0.69s WALL ( 1 calls) electrons : 245.90s CPU 151.94s WALL ( 1 calls) Called by init_run: wfcinit : 0.02s CPU 0.01s WALL ( 1 calls) potinit : 0.09s CPU 0.11s WALL ( 1 calls) Called by electrons: c_bands : 245.90s CPU 151.93s 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 : 0.27s CPU 0.15s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.23s CPU 0.28s WALL ( 334 calls) cegterg : 221.80s CPU 138.01s WALL ( 491 calls) Called by sum_band: Called by *egterg: h_psi : 158.92s CPU 92.90s WALL ( 7879 calls) s_psi : 6.60s CPU 3.92s WALL ( 7879 calls) g_psi : 0.24s CPU 0.15s WALL ( 7054 calls) cdiaghg : 60.88s CPU 41.97s WALL ( 7388 calls) cegterg:over : 6.20s CPU 3.97s WALL ( 7054 calls) cegterg:upda : 4.17s CPU 2.81s WALL ( 7054 calls) cegterg:last : 2.80s CPU 1.88s WALL ( 1692 calls) cdiaghg:chol : 3.27s CPU 2.30s WALL ( 7388 calls) cdiaghg:inve : 1.73s CPU 1.15s WALL ( 7388 calls) cdiaghg:para : 3.24s CPU 2.31s WALL ( 14776 calls) Called by h_psi: h_psi:vloc : 144.32s CPU 83.87s WALL ( 7879 calls) h_psi:vnl : 14.39s CPU 8.90s WALL ( 7879 calls) add_vuspsi : 8.93s CPU 5.43s WALL ( 7879 calls) General routines calbec : 5.42s CPU 3.45s WALL ( 7879 calls) fft : 0.14s CPU 0.07s WALL ( 19 calls) ffts : 0.02s CPU 0.01s WALL ( 4 calls) fftw : 136.30s CPU 78.68s WALL ( 684476 calls) interpolate : 0.02s CPU 0.02s WALL ( 4 calls) davcio : 0.32s CPU 0.39s WALL ( 668 calls) Parallel routines fft_scatter : 52.66s CPU 32.56s WALL ( 684499 calls) PWSCF : 4m17.25s CPU 2m54.17s WALL This run was terminated on: 4:43:23 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. 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