Program PWSCF v.5.4.0 starts on 12Feb2017 at 4: 1:23 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: ./HfSnPt.save/ file Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D 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 26 7 1787 522 84 Max 59 27 8 1792 537 88 Sum 2107 955 283 64431 19027 3071 bravais-lattice index = 14 lattice parameter (alat) = 8.4317 a.u. unit-cell volume = 423.8621 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 3 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 433.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.431662 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 Hf read from file: /users/gautes/Pseudo/Hf.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: fb4a78a955dff820df95c575f14a6778 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1271 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 Sn read from file: /users/gautes/Pseudo/Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 9499e19b89e678f7f9f46ad7de03aa82 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for 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 Hf 12.00 178.49000 Hf( 1.00) Sn 14.00 118.71000 Sn( 1.00) Pt 10.00 195.08400 Pt( 1.00) 6 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 120 deg rotation - cryst. axis [0,0,1] cryst. s( 2) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 2) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 3) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 3) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 4) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 5) = ( 0.5000000 0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s( 6) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_3v (3m) there are 6 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3s_v -3s_v G_4 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6 1.00 -1.00 -1.00 1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3s_v -3s_v G_4 0.00 0.00 0.00 0.00 0.00 0.00 G_5 0.00 0.00 0.00 0.00 1.00 -1.00 G_6 0.00 0.00 0.00 0.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 2 3 120 deg rotation - cryst. axis [0,0,1] -2C3 -2 -3 120 deg rotation - cryst. axis [0,0,1] E 3s_v 4 5 -6 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 6 -4 -5 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 334 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029940 k( 2) = ( 0.0100000 -0.0057735 0.0081650), wk = 0.0029940 k( 3) = ( 0.0200000 -0.0115470 0.0163299), wk = 0.0029940 k( 4) = ( 0.0300000 -0.0173205 0.0244949), wk = 0.0029940 k( 5) = ( 0.0400000 -0.0230940 0.0326599), wk = 0.0029940 k( 6) = ( 0.0500000 -0.0288675 0.0408248), wk = 0.0029940 k( 7) = ( 0.0600000 -0.0346410 0.0489898), wk = 0.0029940 k( 8) = ( 0.0700000 -0.0404145 0.0571548), wk = 0.0029940 k( 9) = ( 0.0800000 -0.0461880 0.0653197), wk = 0.0029940 k( 10) = ( 0.0900000 -0.0519615 0.0734847), wk = 0.0029940 k( 11) = ( 0.1000000 -0.0577350 0.0816497), wk = 0.0029940 k( 12) = ( 0.1100000 -0.0635085 0.0898146), wk = 0.0029940 k( 13) = ( 0.1200000 -0.0692820 0.0979796), wk = 0.0029940 k( 14) = ( 0.1300000 -0.0750555 0.1061446), wk = 0.0029940 k( 15) = ( 0.1400000 -0.0808290 0.1143095), wk = 0.0029940 k( 16) = ( 0.1500000 -0.0866025 0.1224745), wk = 0.0029940 k( 17) = ( 0.1600000 -0.0923760 0.1306395), wk = 0.0029940 k( 18) = ( 0.1700000 -0.0981495 0.1388044), wk = 0.0029940 k( 19) = ( 0.1800000 -0.1039230 0.1469694), wk = 0.0029940 k( 20) = ( 0.1900000 -0.1096966 0.1551344), wk = 0.0029940 k( 21) = ( 0.2000000 -0.1154701 0.1632993), wk = 0.0029940 k( 22) = ( 0.2100000 -0.1212436 0.1714643), wk = 0.0029940 k( 23) = ( 0.2200000 -0.1270171 0.1796292), wk = 0.0029940 k( 24) = ( 0.2300000 -0.1327906 0.1877942), wk = 0.0029940 k( 25) = ( 0.2400000 -0.1385641 0.1959592), wk = 0.0029940 k( 26) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0029940 k( 27) = ( 0.2600000 -0.1501111 0.2122891), wk = 0.0029940 k( 28) = ( 0.2700000 -0.1558846 0.2204541), wk = 0.0029940 k( 29) = ( 0.2800000 -0.1616581 0.2286190), wk = 0.0029940 k( 30) = ( 0.2900000 -0.1674316 0.2367840), wk = 0.0029940 k( 31) = ( 0.3000000 -0.1732051 0.2449490), wk = 0.0029940 k( 32) = ( 0.3100000 -0.1789786 0.2531139), wk = 0.0029940 k( 33) = ( 0.3200000 -0.1847521 0.2612789), wk = 0.0029940 k( 34) = ( 0.3300000 -0.1905256 0.2694439), wk = 0.0029940 k( 35) = ( 0.3400000 -0.1962991 0.2776088), wk = 0.0029940 k( 36) = ( 0.3500000 -0.2020726 0.2857738), wk = 0.0029940 k( 37) = ( 0.3600000 -0.2078461 0.2939388), wk = 0.0029940 k( 38) = ( 0.3700000 -0.2136196 0.3021037), wk = 0.0029940 k( 39) = ( 0.3800000 -0.2193931 0.3102687), wk = 0.0029940 k( 40) = ( 0.3900000 -0.2251666 0.3184337), wk = 0.0029940 k( 41) = ( 0.4000000 -0.2309401 0.3265986), wk = 0.0029940 k( 42) = ( 0.4100000 -0.2367136 0.3347636), wk = 0.0029940 k( 43) = ( 0.4200000 -0.2424871 0.3429286), wk = 0.0029940 k( 44) = ( 0.4300000 -0.2482606 0.3510935), wk = 0.0029940 k( 45) = ( 0.4400000 -0.2540341 0.3592585), wk = 0.0029940 k( 46) = ( 0.4500000 -0.2598076 0.3674235), wk = 0.0029940 k( 47) = ( 0.4600000 -0.2655811 0.3755884), wk = 0.0029940 k( 48) = ( 0.4700000 -0.2713546 0.3837534), wk = 0.0029940 k( 49) = ( 0.4800000 -0.2771281 0.3919184), wk = 0.0029940 k( 50) = ( 0.4900000 -0.2829016 0.4000833), wk = 0.0029940 k( 51) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0029940 k( 52) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0029940 k( 53) = ( 0.5000000 -0.2771281 0.4164133), wk = 0.0029940 k( 54) = ( 0.5000000 -0.2655811 0.4245782), wk = 0.0029940 k( 55) = ( 0.5000000 -0.2540341 0.4327432), wk = 0.0029940 k( 56) = ( 0.5000000 -0.2424871 0.4409082), wk = 0.0029940 k( 57) = ( 0.5000000 -0.2309401 0.4490731), wk = 0.0029940 k( 58) = ( 0.5000000 -0.2193931 0.4572381), wk = 0.0029940 k( 59) = ( 0.5000000 -0.2078461 0.4654031), wk = 0.0029940 k( 60) = ( 0.5000000 -0.1962991 0.4735680), wk = 0.0029940 k( 61) = ( 0.5000000 -0.1847521 0.4817330), wk = 0.0029940 k( 62) = ( 0.5000000 -0.1732051 0.4898979), wk = 0.0029940 k( 63) = ( 0.5000000 -0.1616581 0.4980629), wk = 0.0029940 k( 64) = ( 0.5000000 -0.1501111 0.5062279), wk = 0.0029940 k( 65) = ( 0.5000000 -0.1385641 0.5143928), wk = 0.0029940 k( 66) = ( 0.5000000 -0.1270171 0.5225578), wk = 0.0029940 k( 67) = ( 0.5000000 -0.1154701 0.5307228), wk = 0.0029940 k( 68) = ( 0.5000000 -0.1039230 0.5388877), wk = 0.0029940 k( 69) = ( 0.5000000 -0.0923760 0.5470527), wk = 0.0029940 k( 70) = ( 0.5000000 -0.0808290 0.5552177), wk = 0.0029940 k( 71) = ( 0.5000000 -0.0692820 0.5633826), wk = 0.0029940 k( 72) = ( 0.5000000 -0.0577350 0.5715476), wk = 0.0029940 k( 73) = ( 0.5000000 -0.0461880 0.5797126), wk = 0.0029940 k( 74) = ( 0.5000000 -0.0346410 0.5878775), wk = 0.0029940 k( 75) = ( 0.5000000 -0.0230940 0.5960425), wk = 0.0029940 k( 76) = ( 0.5000000 -0.0115470 0.6042075), wk = 0.0029940 k( 77) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0029940 k( 78) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0029940 k( 79) = ( 0.4930556 0.0120281 0.6123724), wk = 0.0029940 k( 80) = ( 0.4861111 0.0240563 0.6123724), wk = 0.0029940 k( 81) = ( 0.4791667 0.0360844 0.6123724), wk = 0.0029940 k( 82) = ( 0.4722222 0.0481125 0.6123724), wk = 0.0029940 k( 83) = ( 0.4652778 0.0601406 0.6123724), wk = 0.0029940 k( 84) = ( 0.4583333 0.0721688 0.6123724), wk = 0.0029940 k( 85) = ( 0.4513889 0.0841969 0.6123724), wk = 0.0029940 k( 86) = ( 0.4444444 0.0962251 0.6123724), wk = 0.0029940 k( 87) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0029940 k( 88) = ( 0.4305556 0.1202813 0.6123724), wk = 0.0029940 k( 89) = ( 0.4236111 0.1323094 0.6123724), wk = 0.0029940 k( 90) = ( 0.4166667 0.1443376 0.6123724), wk = 0.0029940 k( 91) = ( 0.4097222 0.1563657 0.6123724), wk = 0.0029940 k( 92) = ( 0.4027778 0.1683938 0.6123724), wk = 0.0029940 k( 93) = ( 0.3958333 0.1804220 0.6123724), wk = 0.0029940 k( 94) = ( 0.3888889 0.1924501 0.6123724), wk = 0.0029940 k( 95) = ( 0.3819444 0.2044782 0.6123724), wk = 0.0029940 k( 96) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0029940 k( 97) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0029940 k( 98) = ( 0.3679245 0.2124213 0.6008182), wk = 0.0029940 k( 99) = ( 0.3608491 0.2083363 0.5892640), wk = 0.0029940 k( 100) = ( 0.3537736 0.2042513 0.5777098), wk = 0.0029940 k( 101) = ( 0.3466981 0.2001662 0.5661557), wk = 0.0029940 k( 102) = ( 0.3396226 0.1960812 0.5546014), wk = 0.0029940 k( 103) = ( 0.3325472 0.1919962 0.5430473), wk = 0.0029940 k( 104) = ( 0.3254717 0.1879112 0.5314931), wk = 0.0029940 k( 105) = ( 0.3183962 0.1838261 0.5199389), wk = 0.0029940 k( 106) = ( 0.3113207 0.1797411 0.5083847), wk = 0.0029940 k( 107) = ( 0.3042453 0.1756561 0.4968305), wk = 0.0029940 k( 108) = ( 0.2971698 0.1715711 0.4852763), wk = 0.0029940 k( 109) = ( 0.2900943 0.1674860 0.4737221), wk = 0.0029940 k( 110) = ( 0.2830189 0.1634010 0.4621679), wk = 0.0029940 k( 111) = ( 0.2759434 0.1593160 0.4506137), wk = 0.0029940 k( 112) = ( 0.2688679 0.1552310 0.4390595), wk = 0.0029940 k( 113) = ( 0.2617925 0.1511459 0.4275053), wk = 0.0029940 k( 114) = ( 0.2547170 0.1470609 0.4159511), wk = 0.0029940 k( 115) = ( 0.2476415 0.1429759 0.4043969), wk = 0.0029940 k( 116) = ( 0.2405660 0.1388909 0.3928427), wk = 0.0029940 k( 117) = ( 0.2334906 0.1348058 0.3812885), wk = 0.0029940 k( 118) = ( 0.2264151 0.1307208 0.3697343), wk = 0.0029940 k( 119) = ( 0.2193396 0.1266358 0.3581801), wk = 0.0029940 k( 120) = ( 0.2122642 0.1225508 0.3466259), wk = 0.0029940 k( 121) = ( 0.2051887 0.1184657 0.3350717), wk = 0.0029940 k( 122) = ( 0.1981132 0.1143807 0.3235175), wk = 0.0029940 k( 123) = ( 0.1910377 0.1102957 0.3119633), wk = 0.0029940 k( 124) = ( 0.1839623 0.1062107 0.3004091), wk = 0.0029940 k( 125) = ( 0.1768868 0.1021256 0.2888549), wk = 0.0029940 k( 126) = ( 0.1698113 0.0980406 0.2773007), wk = 0.0029940 k( 127) = ( 0.1627358 0.0939556 0.2657465), wk = 0.0029940 k( 128) = ( 0.1556604 0.0898706 0.2541923), wk = 0.0029940 k( 129) = ( 0.1485849 0.0857855 0.2426381), wk = 0.0029940 k( 130) = ( 0.1415094 0.0817005 0.2310839), wk = 0.0029940 k( 131) = ( 0.1344340 0.0776155 0.2195297), wk = 0.0029940 k( 132) = ( 0.1273585 0.0735305 0.2079755), wk = 0.0029940 k( 133) = ( 0.1202830 0.0694454 0.1964213), wk = 0.0029940 k( 134) = ( 0.1132076 0.0653604 0.1848671), wk = 0.0029940 k( 135) = ( 0.1061321 0.0612754 0.1733129), wk = 0.0029940 k( 136) = ( 0.0990566 0.0571904 0.1617588), wk = 0.0029940 k( 137) = ( 0.0919811 0.0531053 0.1502046), wk = 0.0029940 k( 138) = ( 0.0849057 0.0490203 0.1386504), wk = 0.0029940 k( 139) = ( 0.0778302 0.0449353 0.1270962), wk = 0.0029940 k( 140) = ( 0.0707547 0.0408503 0.1155420), wk = 0.0029940 k( 141) = ( 0.0636793 0.0367652 0.1039878), wk = 0.0029940 k( 142) = ( 0.0566038 0.0326802 0.0924336), wk = 0.0029940 k( 143) = ( 0.0495283 0.0285952 0.0808794), wk = 0.0029940 k( 144) = ( 0.0424528 0.0245102 0.0693252), wk = 0.0029940 k( 145) = ( 0.0353774 0.0204251 0.0577710), wk = 0.0029940 k( 146) = ( 0.0283019 0.0163401 0.0462168), wk = 0.0029940 k( 147) = ( 0.0212264 0.0122551 0.0346626), wk = 0.0029940 k( 148) = ( 0.0141509 0.0081700 0.0231084), wk = 0.0029940 k( 149) = ( 0.0070755 0.0040850 0.0115542), wk = 0.0029940 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029940 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029940 k( 152) = ( 0.0113636 0.0065608 0.0046392), wk = 0.0029940 k( 153) = ( 0.0227273 0.0131216 0.0092784), wk = 0.0029940 k( 154) = ( 0.0340909 0.0196824 0.0139176), wk = 0.0029940 k( 155) = ( 0.0454546 0.0262432 0.0185567), wk = 0.0029940 k( 156) = ( 0.0568182 0.0328040 0.0231959), wk = 0.0029940 k( 157) = ( 0.0681818 0.0393648 0.0278351), wk = 0.0029940 k( 158) = ( 0.0795455 0.0459256 0.0324743), wk = 0.0029940 k( 159) = ( 0.0909091 0.0524864 0.0371135), wk = 0.0029940 k( 160) = ( 0.1022727 0.0590472 0.0417527), wk = 0.0029940 k( 161) = ( 0.1136364 0.0656080 0.0463918), wk = 0.0029940 k( 162) = ( 0.1250000 0.0721688 0.0510310), wk = 0.0029940 k( 163) = ( 0.1363636 0.0787296 0.0556702), wk = 0.0029940 k( 164) = ( 0.1477273 0.0852904 0.0603094), wk = 0.0029940 k( 165) = ( 0.1590909 0.0918512 0.0649486), wk = 0.0029940 k( 166) = ( 0.1704546 0.0984120 0.0695878), wk = 0.0029940 k( 167) = ( 0.1818182 0.1049728 0.0742270), wk = 0.0029940 k( 168) = ( 0.1931818 0.1115336 0.0788661), wk = 0.0029940 k( 169) = ( 0.2045454 0.1180944 0.0835053), wk = 0.0029940 k( 170) = ( 0.2159091 0.1246552 0.0881445), wk = 0.0029940 k( 171) = ( 0.2272727 0.1312160 0.0927837), wk = 0.0029940 k( 172) = ( 0.2386364 0.1377768 0.0974229), wk = 0.0029940 k( 173) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0029940 k( 174) = ( 0.2613636 0.1508984 0.1067013), wk = 0.0029940 k( 175) = ( 0.2727273 0.1574592 0.1113404), wk = 0.0029940 k( 176) = ( 0.2840909 0.1640200 0.1159796), wk = 0.0029940 k( 177) = ( 0.2954545 0.1705808 0.1206188), wk = 0.0029940 k( 178) = ( 0.3068182 0.1771416 0.1252580), wk = 0.0029940 k( 179) = ( 0.3181818 0.1837024 0.1298972), wk = 0.0029940 k( 180) = ( 0.3295455 0.1902632 0.1345364), wk = 0.0029940 k( 181) = ( 0.3409091 0.1968240 0.1391756), wk = 0.0029940 k( 182) = ( 0.3522727 0.2033848 0.1438147), wk = 0.0029940 k( 183) = ( 0.3636364 0.2099456 0.1484539), wk = 0.0029940 k( 184) = ( 0.3750000 0.2165064 0.1530931), wk = 0.0029940 k( 185) = ( 0.3863636 0.2230672 0.1577323), wk = 0.0029940 k( 186) = ( 0.3977273 0.2296279 0.1623715), wk = 0.0029940 k( 187) = ( 0.4090909 0.2361887 0.1670107), wk = 0.0029940 k( 188) = ( 0.4204545 0.2427495 0.1716499), wk = 0.0029940 k( 189) = ( 0.4318182 0.2493103 0.1762890), wk = 0.0029940 k( 190) = ( 0.4431818 0.2558711 0.1809282), wk = 0.0029940 k( 191) = ( 0.4545455 0.2624319 0.1855674), wk = 0.0029940 k( 192) = ( 0.4659091 0.2689927 0.1902066), wk = 0.0029940 k( 193) = ( 0.4772727 0.2755535 0.1948458), wk = 0.0029940 k( 194) = ( 0.4886364 0.2821143 0.1994850), wk = 0.0029940 k( 195) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0029940 k( 196) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0029940 k( 197) = ( 0.5040323 0.2770350 0.2107088), wk = 0.0029940 k( 198) = ( 0.5080645 0.2653949 0.2172934), wk = 0.0029940 k( 199) = ( 0.5120968 0.2537548 0.2238781), wk = 0.0029940 k( 200) = ( 0.5161290 0.2421146 0.2304627), wk = 0.0029940 k( 201) = ( 0.5201613 0.2304745 0.2370474), wk = 0.0029940 k( 202) = ( 0.5241936 0.2188344 0.2436320), wk = 0.0029940 k( 203) = ( 0.5282258 0.2071943 0.2502167), wk = 0.0029940 k( 204) = ( 0.5322581 0.1955541 0.2568013), wk = 0.0029940 k( 205) = ( 0.5362903 0.1839140 0.2633860), wk = 0.0029940 k( 206) = ( 0.5403226 0.1722739 0.2699706), wk = 0.0029940 k( 207) = ( 0.5443548 0.1606337 0.2765553), wk = 0.0029940 k( 208) = ( 0.5483871 0.1489936 0.2831399), wk = 0.0029940 k( 209) = ( 0.5524193 0.1373535 0.2897246), wk = 0.0029940 k( 210) = ( 0.5564516 0.1257134 0.2963092), wk = 0.0029940 k( 211) = ( 0.5604839 0.1140732 0.3028939), wk = 0.0029940 k( 212) = ( 0.5645161 0.1024331 0.3094785), wk = 0.0029940 k( 213) = ( 0.5685484 0.0907930 0.3160632), wk = 0.0029940 k( 214) = ( 0.5725807 0.0791529 0.3226478), wk = 0.0029940 k( 215) = ( 0.5766129 0.0675127 0.3292325), wk = 0.0029940 k( 216) = ( 0.5806452 0.0558726 0.3358171), wk = 0.0029940 k( 217) = ( 0.5846774 0.0442325 0.3424018), wk = 0.0029940 k( 218) = ( 0.5887097 0.0325924 0.3489864), wk = 0.0029940 k( 219) = ( 0.5927419 0.0209522 0.3555711), wk = 0.0029940 k( 220) = ( 0.5967742 0.0093121 0.3621557), wk = 0.0029940 k( 221) = ( 0.6008064 -0.0023280 0.3687404), wk = 0.0029940 k( 222) = ( 0.6048387 -0.0139682 0.3753250), wk = 0.0029940 k( 223) = ( 0.6088710 -0.0256083 0.3819097), wk = 0.0029940 k( 224) = ( 0.6129032 -0.0372484 0.3884943), wk = 0.0029940 k( 225) = ( 0.6169355 -0.0488885 0.3950790), wk = 0.0029940 k( 226) = ( 0.6209677 -0.0605287 0.4016636), wk = 0.0029940 k( 227) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0029940 k( 228) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0029940 k( 229) = ( 0.6180556 -0.0681594 0.4195885), wk = 0.0029940 k( 230) = ( 0.6111111 -0.0641500 0.4309288), wk = 0.0029940 k( 231) = ( 0.6041667 -0.0601407 0.4422690), wk = 0.0029940 k( 232) = ( 0.5972222 -0.0561313 0.4536092), wk = 0.0029940 k( 233) = ( 0.5902778 -0.0521219 0.4649494), wk = 0.0029940 k( 234) = ( 0.5833333 -0.0481125 0.4762897), wk = 0.0029940 k( 235) = ( 0.5763889 -0.0441031 0.4876299), wk = 0.0029940 k( 236) = ( 0.5694444 -0.0400938 0.4989701), wk = 0.0029940 k( 237) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0029940 k( 238) = ( 0.5555556 -0.0320750 0.5216506), wk = 0.0029940 k( 239) = ( 0.5486111 -0.0280656 0.5329908), wk = 0.0029940 k( 240) = ( 0.5416667 -0.0240563 0.5443310), wk = 0.0029940 k( 241) = ( 0.5347222 -0.0200469 0.5556713), wk = 0.0029940 k( 242) = ( 0.5277778 -0.0160375 0.5670115), wk = 0.0029940 k( 243) = ( 0.5208333 -0.0120281 0.5783518), wk = 0.0029940 k( 244) = ( 0.5138889 -0.0080188 0.5896920), wk = 0.0029940 k( 245) = ( 0.5069444 -0.0040094 0.6010322), wk = 0.0029940 k( 246) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0029940 k( 247) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0029940 k( 248) = ( 0.5000000 0.0080187 0.6010322), wk = 0.0029940 k( 249) = ( 0.5000000 0.0160375 0.5896920), wk = 0.0029940 k( 250) = ( 0.5000000 0.0240563 0.5783518), wk = 0.0029940 k( 251) = ( 0.5000000 0.0320750 0.5670115), wk = 0.0029940 k( 252) = ( 0.5000000 0.0400938 0.5556713), wk = 0.0029940 k( 253) = ( 0.5000000 0.0481125 0.5443310), wk = 0.0029940 k( 254) = ( 0.5000000 0.0561313 0.5329908), wk = 0.0029940 k( 255) = ( 0.5000000 0.0641500 0.5216506), wk = 0.0029940 k( 256) = ( 0.5000000 0.0721688 0.5103104), wk = 0.0029940 k( 257) = ( 0.5000000 0.0801875 0.4989701), wk = 0.0029940 k( 258) = ( 0.5000000 0.0882063 0.4876299), wk = 0.0029940 k( 259) = ( 0.5000000 0.0962250 0.4762897), wk = 0.0029940 k( 260) = ( 0.5000000 0.1042438 0.4649494), wk = 0.0029940 k( 261) = ( 0.5000000 0.1122625 0.4536092), wk = 0.0029940 k( 262) = ( 0.5000000 0.1202813 0.4422690), wk = 0.0029940 k( 263) = ( 0.5000000 0.1283001 0.4309288), wk = 0.0029940 k( 264) = ( 0.5000000 0.1363188 0.4195885), wk = 0.0029940 k( 265) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0029940 k( 266) = ( 0.5000000 0.1523563 0.3969081), wk = 0.0029940 k( 267) = ( 0.5000000 0.1603751 0.3855678), wk = 0.0029940 k( 268) = ( 0.5000000 0.1683938 0.3742276), wk = 0.0029940 k( 269) = ( 0.5000000 0.1764126 0.3628874), wk = 0.0029940 k( 270) = ( 0.5000000 0.1844313 0.3515471), wk = 0.0029940 k( 271) = ( 0.5000000 0.1924501 0.3402069), wk = 0.0029940 k( 272) = ( 0.5000000 0.2004688 0.3288667), wk = 0.0029940 k( 273) = ( 0.5000000 0.2084876 0.3175264), wk = 0.0029940 k( 274) = ( 0.5000000 0.2165064 0.3061862), wk = 0.0029940 k( 275) = ( 0.5000000 0.2245251 0.2948460), wk = 0.0029940 k( 276) = ( 0.5000000 0.2325439 0.2835058), wk = 0.0029940 k( 277) = ( 0.5000000 0.2405626 0.2721655), wk = 0.0029940 k( 278) = ( 0.5000000 0.2485814 0.2608253), wk = 0.0029940 k( 279) = ( 0.5000000 0.2566001 0.2494851), wk = 0.0029940 k( 280) = ( 0.5000000 0.2646189 0.2381448), wk = 0.0029940 k( 281) = ( 0.5000000 0.2726376 0.2268046), wk = 0.0029940 k( 282) = ( 0.5000000 0.2806564 0.2154644), wk = 0.0029940 k( 283) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0029940 k( 284) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0029940 k( 285) = ( 0.4959677 0.2863471 0.2172935), wk = 0.0029940 k( 286) = ( 0.4919355 0.2840191 0.2304627), wk = 0.0029940 k( 287) = ( 0.4879032 0.2816911 0.2436320), wk = 0.0029940 k( 288) = ( 0.4838710 0.2793630 0.2568013), wk = 0.0029940 k( 289) = ( 0.4798387 0.2770350 0.2699706), wk = 0.0029940 k( 290) = ( 0.4758064 0.2747070 0.2831399), wk = 0.0029940 k( 291) = ( 0.4717742 0.2723790 0.2963092), wk = 0.0029940 k( 292) = ( 0.4677419 0.2700509 0.3094785), wk = 0.0029940 k( 293) = ( 0.4637097 0.2677229 0.3226478), wk = 0.0029940 k( 294) = ( 0.4596774 0.2653949 0.3358171), wk = 0.0029940 k( 295) = ( 0.4556452 0.2630669 0.3489864), wk = 0.0029940 k( 296) = ( 0.4516129 0.2607388 0.3621557), wk = 0.0029940 k( 297) = ( 0.4475807 0.2584108 0.3753250), wk = 0.0029940 k( 298) = ( 0.4435484 0.2560828 0.3884943), wk = 0.0029940 k( 299) = ( 0.4395161 0.2537548 0.4016636), wk = 0.0029940 k( 300) = ( 0.4354839 0.2514267 0.4148329), wk = 0.0029940 k( 301) = ( 0.4314516 0.2490987 0.4280022), wk = 0.0029940 k( 302) = ( 0.4274193 0.2467707 0.4411715), wk = 0.0029940 k( 303) = ( 0.4233871 0.2444427 0.4543408), wk = 0.0029940 k( 304) = ( 0.4193548 0.2421146 0.4675101), wk = 0.0029940 k( 305) = ( 0.4153226 0.2397866 0.4806794), wk = 0.0029940 k( 306) = ( 0.4112903 0.2374586 0.4938487), wk = 0.0029940 k( 307) = ( 0.4072581 0.2351306 0.5070180), wk = 0.0029940 k( 308) = ( 0.4032258 0.2328025 0.5201873), wk = 0.0029940 k( 309) = ( 0.3991936 0.2304745 0.5333566), wk = 0.0029940 k( 310) = ( 0.3951613 0.2281465 0.5465259), wk = 0.0029940 k( 311) = ( 0.3911290 0.2258185 0.5596952), wk = 0.0029940 k( 312) = ( 0.3870968 0.2234904 0.5728645), wk = 0.0029940 k( 313) = ( 0.3830645 0.2211624 0.5860338), wk = 0.0029940 k( 314) = ( 0.3790323 0.2188344 0.5992031), wk = 0.0029940 k( 315) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0029940 k( 316) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0029940 k( 317) = ( 0.6180556 -0.0841969 0.4082483), wk = 0.0029940 k( 318) = ( 0.6111111 -0.0962250 0.4082483), wk = 0.0029940 k( 319) = ( 0.6041667 -0.1082532 0.4082483), wk = 0.0029940 k( 320) = ( 0.5972222 -0.1202813 0.4082483), wk = 0.0029940 k( 321) = ( 0.5902778 -0.1323094 0.4082483), wk = 0.0029940 k( 322) = ( 0.5833333 -0.1443376 0.4082483), wk = 0.0029940 k( 323) = ( 0.5763889 -0.1563657 0.4082483), wk = 0.0029940 k( 324) = ( 0.5694444 -0.1683938 0.4082483), wk = 0.0029940 k( 325) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0029940 k( 326) = ( 0.5555556 -0.1924501 0.4082483), wk = 0.0029940 k( 327) = ( 0.5486111 -0.2044782 0.4082483), wk = 0.0029940 k( 328) = ( 0.5416667 -0.2165064 0.4082483), wk = 0.0029940 k( 329) = ( 0.5347222 -0.2285345 0.4082483), wk = 0.0029940 k( 330) = ( 0.5277778 -0.2405626 0.4082483), wk = 0.0029940 k( 331) = ( 0.5208333 -0.2525907 0.4082483), wk = 0.0029940 k( 332) = ( 0.5138889 -0.2646189 0.4082483), wk = 0.0029940 k( 333) = ( 0.5069444 -0.2766470 0.4082483), wk = 0.0029940 k( 334) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0029940 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029940 k( 2) = ( 0.0100000 -0.0000000 0.0100000), wk = 0.0029940 k( 3) = ( 0.0200000 -0.0000000 0.0200000), wk = 0.0029940 k( 4) = ( 0.0300000 -0.0000000 0.0300000), wk = 0.0029940 k( 5) = ( 0.0400000 -0.0000000 0.0400000), wk = 0.0029940 k( 6) = ( 0.0500000 0.0000000 0.0500000), wk = 0.0029940 k( 7) = ( 0.0600000 -0.0000000 0.0600000), wk = 0.0029940 k( 8) = ( 0.0700000 -0.0000000 0.0700000), wk = 0.0029940 k( 9) = ( 0.0800000 -0.0000000 0.0800000), wk = 0.0029940 k( 10) = ( 0.0900000 0.0000000 0.0900000), wk = 0.0029940 k( 11) = ( 0.1000000 0.0000000 0.1000000), wk = 0.0029940 k( 12) = ( 0.1100000 0.0000000 0.1100000), wk = 0.0029940 k( 13) = ( 0.1200000 -0.0000000 0.1200000), wk = 0.0029940 k( 14) = ( 0.1300000 0.0000000 0.1300000), wk = 0.0029940 k( 15) = ( 0.1400000 -0.0000000 0.1400000), wk = 0.0029940 k( 16) = ( 0.1500000 -0.0000000 0.1500000), wk = 0.0029940 k( 17) = ( 0.1600000 -0.0000000 0.1600000), wk = 0.0029940 k( 18) = ( 0.1700000 -0.0000000 0.1700000), wk = 0.0029940 k( 19) = ( 0.1800000 0.0000000 0.1800000), wk = 0.0029940 k( 20) = ( 0.1900000 0.0000000 0.1900000), wk = 0.0029940 k( 21) = ( 0.2000000 0.0000000 0.2000000), wk = 0.0029940 k( 22) = ( 0.2100000 0.0000000 0.2100000), wk = 0.0029940 k( 23) = ( 0.2200000 0.0000000 0.2200000), wk = 0.0029940 k( 24) = ( 0.2300000 0.0000000 0.2300000), wk = 0.0029940 k( 25) = ( 0.2400000 -0.0000000 0.2400000), wk = 0.0029940 k( 26) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0029940 k( 27) = ( 0.2600000 0.0000000 0.2600000), wk = 0.0029940 k( 28) = ( 0.2700000 -0.0000000 0.2700000), wk = 0.0029940 k( 29) = ( 0.2800000 -0.0000000 0.2800000), wk = 0.0029940 k( 30) = ( 0.2900000 -0.0000000 0.2900000), wk = 0.0029940 k( 31) = ( 0.3000000 -0.0000000 0.3000000), wk = 0.0029940 k( 32) = ( 0.3100000 0.0000000 0.3100000), wk = 0.0029940 k( 33) = ( 0.3200000 -0.0000000 0.3200000), wk = 0.0029940 k( 34) = ( 0.3300000 0.0000000 0.3300000), wk = 0.0029940 k( 35) = ( 0.3400000 -0.0000000 0.3400000), wk = 0.0029940 k( 36) = ( 0.3500000 -0.0000000 0.3500000), wk = 0.0029940 k( 37) = ( 0.3600000 0.0000000 0.3600000), wk = 0.0029940 k( 38) = ( 0.3700000 -0.0000000 0.3700000), wk = 0.0029940 k( 39) = ( 0.3800000 0.0000000 0.3800000), wk = 0.0029940 k( 40) = ( 0.3900000 -0.0000000 0.3900000), wk = 0.0029940 k( 41) = ( 0.4000000 0.0000000 0.4000000), wk = 0.0029940 k( 42) = ( 0.4100000 0.0000000 0.4100000), wk = 0.0029940 k( 43) = ( 0.4200000 0.0000000 0.4200000), wk = 0.0029940 k( 44) = ( 0.4300000 0.0000000 0.4300000), wk = 0.0029940 k( 45) = ( 0.4400000 0.0000000 0.4400000), wk = 0.0029940 k( 46) = ( 0.4500000 -0.0000000 0.4500000), wk = 0.0029940 k( 47) = ( 0.4600000 0.0000000 0.4600000), wk = 0.0029940 k( 48) = ( 0.4700000 0.0000000 0.4700000), wk = 0.0029940 k( 49) = ( 0.4800000 -0.0000000 0.4800000), wk = 0.0029940 k( 50) = ( 0.4900000 0.0000000 0.4900000), wk = 0.0029940 k( 51) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029940 k( 52) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029940 k( 53) = ( 0.5000000 0.0100000 0.5100000), wk = 0.0029940 k( 54) = ( 0.5000000 0.0200000 0.5200000), wk = 0.0029940 k( 55) = ( 0.5000000 0.0300000 0.5300000), wk = 0.0029940 k( 56) = ( 0.5000000 0.0400000 0.5400000), wk = 0.0029940 k( 57) = ( 0.5000000 0.0500000 0.5500000), wk = 0.0029940 k( 58) = ( 0.5000000 0.0600000 0.5600000), wk = 0.0029940 k( 59) = ( 0.5000000 0.0700000 0.5700000), wk = 0.0029940 k( 60) = ( 0.5000000 0.0800000 0.5800000), wk = 0.0029940 k( 61) = ( 0.5000000 0.0900000 0.5900000), wk = 0.0029940 k( 62) = ( 0.5000000 0.1000000 0.6000000), wk = 0.0029940 k( 63) = ( 0.5000000 0.1100000 0.6100000), wk = 0.0029940 k( 64) = ( 0.5000000 0.1200000 0.6200000), wk = 0.0029940 k( 65) = ( 0.5000000 0.1300000 0.6300000), wk = 0.0029940 k( 66) = ( 0.5000000 0.1400000 0.6400000), wk = 0.0029940 k( 67) = ( 0.5000000 0.1500000 0.6500000), wk = 0.0029940 k( 68) = ( 0.5000000 0.1600000 0.6600000), wk = 0.0029940 k( 69) = ( 0.5000000 0.1700000 0.6700000), wk = 0.0029940 k( 70) = ( 0.5000000 0.1800000 0.6800000), wk = 0.0029940 k( 71) = ( 0.5000000 0.1900000 0.6900000), wk = 0.0029940 k( 72) = ( 0.5000000 0.2000000 0.7000000), wk = 0.0029940 k( 73) = ( 0.5000000 0.2100000 0.7100000), wk = 0.0029940 k( 74) = ( 0.5000000 0.2200000 0.7200000), wk = 0.0029940 k( 75) = ( 0.5000000 0.2300000 0.7300000), wk = 0.0029940 k( 76) = ( 0.5000000 0.2400000 0.7400000), wk = 0.0029940 k( 77) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0029940 k( 78) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0029940 k( 79) = ( 0.4930556 0.2569444 0.7500000), wk = 0.0029940 k( 80) = ( 0.4861111 0.2638889 0.7500000), wk = 0.0029940 k( 81) = ( 0.4791667 0.2708333 0.7500000), wk = 0.0029940 k( 82) = ( 0.4722222 0.2777778 0.7500000), wk = 0.0029940 k( 83) = ( 0.4652778 0.2847222 0.7500000), wk = 0.0029940 k( 84) = ( 0.4583333 0.2916667 0.7500000), wk = 0.0029940 k( 85) = ( 0.4513889 0.2986111 0.7500000), wk = 0.0029940 k( 86) = ( 0.4444444 0.3055556 0.7500000), wk = 0.0029940 k( 87) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0029940 k( 88) = ( 0.4305556 0.3194444 0.7500000), wk = 0.0029940 k( 89) = ( 0.4236111 0.3263889 0.7500000), wk = 0.0029940 k( 90) = ( 0.4166667 0.3333333 0.7500000), wk = 0.0029940 k( 91) = ( 0.4097222 0.3402778 0.7500000), wk = 0.0029940 k( 92) = ( 0.4027778 0.3472222 0.7500000), wk = 0.0029940 k( 93) = ( 0.3958333 0.3541667 0.7500000), wk = 0.0029940 k( 94) = ( 0.3888889 0.3611111 0.7500000), wk = 0.0029940 k( 95) = ( 0.3819444 0.3680556 0.7500000), wk = 0.0029940 k( 96) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0029940 k( 97) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0029940 k( 98) = ( 0.3679245 0.3679245 0.7358491), wk = 0.0029940 k( 99) = ( 0.3608491 0.3608491 0.7216981), wk = 0.0029940 k( 100) = ( 0.3537736 0.3537736 0.7075472), wk = 0.0029940 k( 101) = ( 0.3466981 0.3466981 0.6933962), wk = 0.0029940 k( 102) = ( 0.3396226 0.3396226 0.6792453), wk = 0.0029940 k( 103) = ( 0.3325472 0.3325472 0.6650943), wk = 0.0029940 k( 104) = ( 0.3254717 0.3254717 0.6509434), wk = 0.0029940 k( 105) = ( 0.3183962 0.3183962 0.6367924), wk = 0.0029940 k( 106) = ( 0.3113207 0.3113207 0.6226415), wk = 0.0029940 k( 107) = ( 0.3042453 0.3042453 0.6084906), wk = 0.0029940 k( 108) = ( 0.2971698 0.2971698 0.5943396), wk = 0.0029940 k( 109) = ( 0.2900943 0.2900943 0.5801887), wk = 0.0029940 k( 110) = ( 0.2830189 0.2830189 0.5660377), wk = 0.0029940 k( 111) = ( 0.2759434 0.2759434 0.5518868), wk = 0.0029940 k( 112) = ( 0.2688679 0.2688679 0.5377359), 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 0.2122641 0.4245283), wk = 0.0029940 k( 121) = ( 0.2051887 0.2051887 0.4103774), wk = 0.0029940 k( 122) = ( 0.1981132 0.1981132 0.3962264), wk = 0.0029940 k( 123) = ( 0.1910377 0.1910377 0.3820755), wk = 0.0029940 k( 124) = ( 0.1839623 0.1839623 0.3679245), wk = 0.0029940 k( 125) = ( 0.1768868 0.1768868 0.3537736), wk = 0.0029940 k( 126) = ( 0.1698113 0.1698113 0.3396226), wk = 0.0029940 k( 127) = ( 0.1627358 0.1627358 0.3254717), wk = 0.0029940 k( 128) = ( 0.1556604 0.1556604 0.3113207), wk = 0.0029940 k( 129) = ( 0.1485849 0.1485849 0.2971698), wk = 0.0029940 k( 130) = ( 0.1415094 0.1415094 0.2830189), wk = 0.0029940 k( 131) = ( 0.1344340 0.1344340 0.2688679), wk = 0.0029940 k( 132) = ( 0.1273585 0.1273585 0.2547170), wk = 0.0029940 k( 133) = ( 0.1202830 0.1202830 0.2405660), wk = 0.0029940 k( 134) = ( 0.1132076 0.1132075 0.2264151), wk = 0.0029940 k( 135) = ( 0.1061321 0.1061321 0.2122642), 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 0.0795454 0.0795454), wk = 0.0029940 k( 159) = ( 0.0909091 0.0909091 0.0909091), wk = 0.0029940 k( 160) = ( 0.1022727 0.1022727 0.1022727), wk = 0.0029940 k( 161) = ( 0.1136364 0.1136364 0.1136364), wk = 0.0029940 k( 162) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0029940 k( 163) = ( 0.1363636 0.1363636 0.1363636), wk = 0.0029940 k( 164) = ( 0.1477273 0.1477273 0.1477273), wk = 0.0029940 k( 165) = ( 0.1590909 0.1590909 0.1590909), wk = 0.0029940 k( 166) = ( 0.1704546 0.1704545 0.1704545), wk = 0.0029940 k( 167) = ( 0.1818182 0.1818182 0.1818182), wk = 0.0029940 k( 168) = ( 0.1931818 0.1931818 0.1931818), wk = 0.0029940 k( 169) = ( 0.2045454 0.2045454 0.2045454), wk = 0.0029940 k( 170) = ( 0.2159091 0.2159091 0.2159091), wk = 0.0029940 k( 171) = ( 0.2272727 0.2272727 0.2272727), wk = 0.0029940 k( 172) = ( 0.2386364 0.2386364 0.2386364), wk = 0.0029940 k( 173) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029940 k( 174) = ( 0.2613636 0.2613636 0.2613636), wk = 0.0029940 k( 175) = ( 0.2727273 0.2727273 0.2727273), wk = 0.0029940 k( 176) = ( 0.2840909 0.2840909 0.2840909), wk = 0.0029940 k( 177) = ( 0.2954545 0.2954545 0.2954545), wk = 0.0029940 k( 178) = ( 0.3068182 0.3068182 0.3068182), wk = 0.0029940 k( 179) = ( 0.3181818 0.3181818 0.3181818), wk = 0.0029940 k( 180) = ( 0.3295455 0.3295454 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 0.4545454 0.4545454), wk = 0.0029940 k( 192) = ( 0.4659091 0.4659091 0.4659091), wk = 0.0029940 k( 193) = ( 0.4772727 0.4772727 0.4772727), wk = 0.0029940 k( 194) = ( 0.4886364 0.4886364 0.4886364), wk = 0.0029940 k( 195) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029940 k( 196) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029940 k( 197) = ( 0.5040323 0.4919355 0.5040323), wk = 0.0029940 k( 198) = ( 0.5080645 0.4838710 0.5080645), wk = 0.0029940 k( 199) = ( 0.5120968 0.4758064 0.5120968), wk = 0.0029940 k( 200) = ( 0.5161290 0.4677419 0.5161290), wk = 0.0029940 k( 201) = ( 0.5201613 0.4596774 0.5201613), wk = 0.0029940 k( 202) = ( 0.5241936 0.4516129 0.5241935), 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 0.5241935), wk = 0.0029940 k( 288) = ( 0.4838710 0.4838710 0.5322581), wk = 0.0029940 k( 289) = ( 0.4798387 0.4798387 0.5403226), wk = 0.0029940 k( 290) = ( 0.4758064 0.4758064 0.5483871), wk = 0.0029940 k( 291) = ( 0.4717742 0.4717742 0.5564516), wk = 0.0029940 k( 292) = ( 0.4677419 0.4677419 0.5645161), wk = 0.0029940 k( 293) = ( 0.4637097 0.4637097 0.5725807), 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: 64431 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 19027 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.09 Mb ( 130, 44) NL pseudopotentials 0.10 Mb ( 65, 102) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1788) G-vector shells 0.00 Mb ( 451) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.35 Mb ( 130, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.14 Mb ( 102, 2, 44) The potential is recalculated from file : ./HfSnPt.save/charge-density.dat Starting wfc are 56 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.6 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 4.6 secs Computing kpt #: 4 total cpu time spent up to now is 5.0 secs Computing kpt #: 5 total cpu time spent up to now is 5.5 secs Computing kpt #: 6 total cpu time spent up to now is 6.0 secs Computing kpt #: 7 total cpu time spent up to now is 6.4 secs Computing kpt #: 8 total cpu time spent up to now is 6.9 secs Computing kpt #: 9 total cpu time spent up to now is 7.4 secs Computing kpt #: 10 total cpu time spent up to now is 7.8 secs Computing kpt #: 11 total cpu time spent up to now is 8.3 secs Computing kpt #: 12 total cpu time spent up to now is 8.8 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 10.4 secs Computing kpt #: 16 total cpu time spent up to now is 10.9 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 11.8 secs Computing kpt #: 19 total cpu time spent up to now is 12.3 secs Computing kpt #: 20 total cpu time spent up to now is 12.7 secs Computing kpt #: 21 total cpu time spent up to now is 13.2 secs Computing kpt #: 22 total cpu time spent up to now is 13.7 secs Computing kpt #: 23 total cpu time spent up to now is 14.3 secs Computing kpt #: 24 total cpu time spent up to now is 14.8 secs Computing kpt #: 25 total cpu time spent up to now is 15.3 secs Computing kpt #: 26 total cpu time spent up to now is 15.8 secs Computing kpt #: 27 total cpu time spent up to now is 16.4 secs Computing kpt #: 28 total cpu time spent up to now is 17.0 secs Computing kpt #: 29 total cpu time spent up to now is 17.5 secs Computing kpt #: 30 total cpu time spent up to now is 18.0 secs Computing kpt #: 31 total cpu time spent up to now is 18.5 secs Computing kpt #: 32 total cpu time spent up to now is 19.0 secs Computing kpt #: 33 total cpu time spent up to now is 19.5 secs Computing kpt #: 34 total cpu time spent up to now is 20.0 secs Computing kpt #: 35 total cpu time spent up to now is 20.4 secs Computing kpt #: 36 total cpu time spent up to now is 21.0 secs Computing kpt #: 37 total cpu time spent up to now is 21.6 secs Computing kpt #: 38 total cpu time spent up to now is 22.2 secs Computing kpt #: 39 total cpu time spent up to now is 22.7 secs Computing kpt #: 40 total cpu time spent up to now is 23.3 secs Computing kpt #: 41 total cpu time spent up to now is 23.8 secs Computing kpt #: 42 total cpu time spent up to now is 24.4 secs Computing kpt #: 43 total cpu time spent up to now is 24.9 secs Computing kpt #: 44 total cpu time spent up to now is 25.4 secs Computing kpt #: 45 total cpu time spent up to now is 25.9 secs Computing kpt #: 46 total cpu time spent up to now is 26.4 secs Computing kpt #: 47 total cpu time spent up to now is 26.8 secs Computing kpt #: 48 total cpu time spent up to now is 27.3 secs Computing kpt #: 49 total cpu time spent up to now is 27.8 secs Computing kpt #: 50 total cpu time spent up to now is 28.2 secs Computing kpt #: 51 total cpu time spent up to now is 28.7 secs Computing kpt #: 52 total cpu time spent up to now is 29.2 secs Computing kpt #: 53 total cpu time spent up to now is 29.6 secs Computing kpt #: 54 total cpu time spent up to now is 30.1 secs Computing kpt #: 55 total cpu time spent up to now is 30.6 secs Computing kpt #: 56 total cpu time spent up to now is 31.0 secs Computing kpt #: 57 total cpu time spent up to now is 31.5 secs Computing kpt #: 58 total cpu time spent up to now is 32.0 secs Computing kpt #: 59 total cpu time spent up to now is 32.4 secs Computing kpt #: 60 total cpu time spent up to now is 32.9 secs Computing kpt #: 61 total cpu time spent up to now is 33.4 secs Computing kpt #: 62 total cpu time spent up to now is 33.9 secs Computing kpt #: 63 total cpu time spent up to now is 34.3 secs Computing kpt #: 64 total cpu time spent up to now is 34.8 secs Computing kpt #: 65 total cpu time spent up to now is 35.3 secs Computing kpt #: 66 total cpu time spent up to now is 35.7 secs Computing kpt #: 67 total cpu time spent up to now is 36.2 secs Computing kpt #: 68 total cpu time spent up to now is 36.7 secs Computing kpt #: 69 total cpu time spent up to now is 37.2 secs Computing kpt #: 70 total cpu time spent up to now is 37.6 secs Computing kpt #: 71 total cpu time spent up to now is 38.1 secs Computing kpt #: 72 total cpu time spent up to now is 38.5 secs Computing kpt #: 73 total cpu time spent up to now is 38.9 secs Computing kpt #: 74 total cpu time spent up to now is 39.4 secs Computing kpt #: 75 total cpu time spent up to now is 39.8 secs Computing kpt #: 76 total cpu time spent up to now is 40.3 secs Computing kpt #: 77 total cpu time spent up to now is 40.7 secs Computing kpt #: 78 total cpu time spent up to now is 41.1 secs Computing kpt #: 79 total cpu time spent up to now is 41.5 secs Computing kpt #: 80 total cpu time spent up to now is 42.0 secs Computing kpt #: 81 total cpu time spent up to now is 42.4 secs Computing kpt #: 82 total cpu time spent up to now is 42.9 secs Computing kpt #: 83 total cpu time spent up to now is 43.3 secs Computing kpt #: 84 total cpu time spent up to now is 43.7 secs Computing kpt #: 85 total cpu time spent up to now is 44.2 secs Computing kpt #: 86 total cpu time spent up to now is 44.7 secs Computing kpt #: 87 total cpu time spent up to now is 45.1 secs Computing kpt #: 88 total cpu time spent up to now is 45.6 secs Computing kpt #: 89 total cpu time spent up to now is 46.0 secs Computing kpt #: 90 total cpu time spent up to now is 46.5 secs Computing kpt #: 91 total cpu time spent up to now is 46.9 secs Computing kpt #: 92 total cpu time spent up to now is 47.4 secs Computing kpt #: 93 total cpu time spent up to now is 47.9 secs Computing kpt #: 94 total cpu time spent up to now is 48.4 secs Computing kpt #: 95 total cpu time spent up to now is 48.9 secs Computing kpt #: 96 total cpu time spent up to now is 49.4 secs Computing kpt #: 97 total cpu time spent up to now is 49.9 secs Computing kpt #: 98 total cpu time spent up to now is 50.4 secs Computing kpt #: 99 total cpu time spent up to now is 50.9 secs Computing kpt #: 100 total cpu time spent up to now is 51.3 secs Computing kpt #: 101 total cpu time spent up to now is 51.8 secs Computing kpt #: 102 total cpu time spent up to now is 52.4 secs Computing kpt #: 103 total cpu time spent up to now is 52.8 secs Computing kpt #: 104 total cpu time spent up to now is 53.3 secs Computing kpt #: 105 total cpu time spent up to now is 53.9 secs Computing kpt #: 106 total cpu time spent up to now is 54.4 secs Computing kpt #: 107 total cpu time spent up to now is 55.0 secs Computing kpt #: 108 total cpu time spent up to now is 55.4 secs Computing kpt #: 109 total cpu time spent up to now is 56.0 secs Computing kpt #: 110 total cpu time spent up to now is 56.5 secs Computing kpt #: 111 total cpu time spent up to now is 56.9 secs Computing kpt #: 112 total cpu time spent up to now is 57.4 secs Computing kpt #: 113 total cpu time spent up to now is 57.9 secs Computing kpt #: 114 total cpu time spent up to now is 58.4 secs Computing kpt #: 115 total cpu time spent up to now is 58.9 secs Computing kpt #: 116 total cpu time spent up to now is 59.4 secs Computing kpt #: 117 total cpu time spent up to now is 59.8 secs Computing kpt #: 118 total cpu time spent up to now is 60.4 secs Computing kpt #: 119 total cpu time spent up to now is 60.8 secs Computing kpt #: 120 total cpu time spent up to now is 61.4 secs Computing kpt #: 121 total cpu time spent up to now is 61.8 secs Computing kpt #: 122 total cpu time spent up to now is 62.3 secs Computing kpt #: 123 total cpu time spent up to now is 62.8 secs Computing kpt #: 124 total cpu time spent up to now is 63.3 secs Computing kpt #: 125 total cpu time spent up to now is 63.7 secs Computing kpt #: 126 total cpu time spent up to now is 64.2 secs Computing kpt #: 127 total cpu time spent up to now is 64.7 secs Computing kpt #: 128 total cpu time spent up to now is 65.2 secs Computing kpt #: 129 total cpu time spent up to now is 65.7 secs Computing kpt #: 130 total cpu time spent up to now is 66.2 secs Computing kpt #: 131 total cpu time spent up to now is 66.8 secs Computing kpt #: 132 total cpu time spent up to now is 67.2 secs Computing kpt #: 133 total cpu time spent up to now is 67.7 secs Computing kpt #: 134 total cpu time spent up to now is 68.2 secs Computing kpt #: 135 total cpu time spent up to now is 68.7 secs Computing kpt #: 136 total cpu time spent up to now is 69.2 secs Computing kpt #: 137 total cpu time spent up to now is 69.6 secs Computing kpt #: 138 total cpu time spent up to now is 70.1 secs Computing kpt #: 139 total cpu time spent up to now is 70.6 secs Computing kpt #: 140 total cpu time spent up to now is 71.1 secs Computing kpt #: 141 total cpu time spent up to now is 71.5 secs Computing kpt #: 142 total cpu time spent up to now is 72.1 secs Computing kpt #: 143 total cpu time spent up to now is 72.5 secs Computing kpt #: 144 total cpu time spent up to now is 73.0 secs Computing kpt #: 145 total cpu time spent up to now is 73.5 secs Computing kpt #: 146 total cpu time spent up to now is 74.0 secs Computing kpt #: 147 total cpu time spent up to now is 74.4 secs Computing kpt #: 148 total cpu time spent up to now is 74.9 secs Computing kpt #: 149 total cpu time spent up to now is 75.4 secs Computing kpt #: 150 total cpu time spent up to now is 75.8 secs Computing kpt #: 151 total cpu time spent up to now is 76.3 secs Computing kpt #: 152 total cpu time spent up to now is 76.8 secs Computing kpt #: 153 total cpu time spent up to now is 77.2 secs Computing kpt #: 154 total cpu time spent up to now is 77.7 secs Computing kpt #: 155 total cpu time spent up to now is 78.2 secs Computing kpt #: 156 total cpu time spent up to now is 78.6 secs Computing kpt #: 157 total cpu time spent up to now is 79.2 secs Computing kpt #: 158 total cpu time spent up to now is 79.6 secs Computing kpt #: 159 total cpu time spent up to now is 80.2 secs Computing kpt #: 160 total cpu time spent up to now is 80.6 secs Computing kpt #: 161 total cpu time spent up to now is 81.1 secs Computing kpt #: 162 total cpu time spent up to now is 81.6 secs Computing kpt #: 163 total cpu time spent up to now is 82.1 secs Computing kpt #: 164 total cpu time spent up to now is 82.6 secs Computing kpt #: 165 total cpu time spent up to now is 83.2 secs Computing kpt #: 166 total cpu time spent up to now is 83.6 secs Computing kpt #: 167 total cpu time spent up to now is 84.1 secs Computing kpt #: 168 total cpu time spent up to now is 84.6 secs Computing kpt #: 169 total cpu time spent up to now is 85.1 secs Computing kpt #: 170 total cpu time spent up to now is 85.6 secs Computing kpt #: 171 total cpu time spent up to now is 86.0 secs Computing kpt #: 172 total cpu time spent up to now is 86.5 secs Computing kpt #: 173 total cpu time spent up to now is 87.0 secs Computing kpt #: 174 total cpu time spent up to now is 87.4 secs Computing kpt #: 175 total cpu time spent up to now is 87.8 secs Computing kpt #: 176 total cpu time spent up to now is 88.3 secs Computing kpt #: 177 total cpu time spent up to now is 88.8 secs Computing kpt #: 178 total cpu time spent up to now is 89.2 secs Computing kpt #: 179 total cpu time spent up to now is 89.7 secs Computing kpt #: 180 total cpu time spent up to now is 90.1 secs Computing kpt #: 181 total cpu time spent up to now is 90.6 secs Computing kpt #: 182 total cpu time spent up to now is 91.1 secs Computing kpt #: 183 total cpu time spent up to now is 91.6 secs Computing kpt #: 184 total cpu time spent up to now is 92.1 secs Computing kpt #: 185 total cpu time spent up to now is 92.6 secs Computing kpt #: 186 total cpu time spent up to now is 93.1 secs Computing kpt #: 187 total cpu time spent up to now is 93.6 secs Computing kpt #: 188 total cpu time spent up to now is 94.2 secs Computing kpt #: 189 total cpu time spent up to now is 94.7 secs Computing kpt #: 190 total cpu time spent up to now is 95.2 secs Computing kpt #: 191 total cpu time spent up to now is 95.7 secs Computing kpt #: 192 total cpu time spent up to now is 96.2 secs Computing kpt #: 193 total cpu time spent up to now is 96.6 secs Computing kpt #: 194 total cpu time spent up to now is 97.1 secs Computing kpt #: 195 total cpu time spent up to now is 97.6 secs Computing kpt #: 196 total cpu time spent up to now is 98.1 secs Computing kpt #: 197 total cpu time spent up to now is 98.5 secs Computing kpt #: 198 total cpu time spent up to now is 99.0 secs Computing kpt #: 199 total cpu time spent up to now is 99.4 secs Computing kpt #: 200 total cpu time spent up to now is 100.0 secs Computing kpt #: 201 total cpu time spent up to now is 100.4 secs Computing kpt #: 202 total cpu time spent up to now is 100.9 secs Computing kpt #: 203 total cpu time spent up to now is 101.3 secs Computing kpt #: 204 total cpu time spent up to now is 101.8 secs Computing kpt #: 205 total cpu time spent up to now is 102.2 secs Computing kpt #: 206 total cpu time spent up to now is 102.7 secs Computing kpt #: 207 total cpu time spent up to now is 103.2 secs Computing kpt #: 208 total cpu time spent up to now is 103.6 secs Computing kpt #: 209 total cpu time spent up to now is 104.1 secs Computing kpt #: 210 total cpu time spent up to now is 104.6 secs Computing kpt #: 211 total cpu time spent up to now is 105.1 secs Computing kpt #: 212 total cpu time spent up to now is 105.5 secs Computing kpt #: 213 total cpu time spent up to now is 106.0 secs Computing kpt #: 214 total cpu time spent up to now is 106.5 secs Computing kpt #: 215 total cpu time spent up to now is 107.0 secs Computing kpt #: 216 total cpu time spent up to now is 107.5 secs Computing kpt #: 217 total cpu time spent up to now is 108.0 secs Computing kpt #: 218 total cpu time spent up to now is 108.5 secs Computing kpt #: 219 total cpu time spent up to now is 109.0 secs Computing kpt #: 220 total cpu time spent up to now is 109.5 secs Computing kpt #: 221 total cpu time spent up to now is 110.0 secs Computing kpt #: 222 total cpu time spent up to now is 110.4 secs Computing kpt #: 223 total cpu time spent up to now is 111.0 secs Computing kpt #: 224 total cpu time spent up to now is 111.5 secs Computing kpt #: 225 total cpu time spent up to now is 112.0 secs Computing kpt #: 226 total cpu time spent up to now is 112.5 secs Computing kpt #: 227 total cpu time spent up to now is 113.0 secs Computing kpt #: 228 total cpu time spent up to now is 113.5 secs Computing kpt #: 229 total cpu time spent up to now is 114.0 secs Computing kpt #: 230 total cpu time spent up to now is 114.4 secs Computing kpt #: 231 total cpu time spent up to now is 115.0 secs Computing kpt #: 232 total cpu time spent up to now is 115.4 secs Computing kpt #: 233 total cpu time spent up to now is 115.9 secs Computing kpt #: 234 total cpu time spent up to now is 116.4 secs Computing kpt #: 235 total cpu time spent up to now is 116.8 secs Computing kpt #: 236 total cpu time spent up to now is 117.3 secs Computing kpt #: 237 total cpu time spent up to now is 117.8 secs Computing kpt #: 238 total cpu time spent up to now is 118.2 secs Computing kpt #: 239 total cpu time spent up to now is 118.7 secs Computing kpt #: 240 total cpu time spent up to now is 119.2 secs Computing kpt #: 241 total cpu time spent up to now is 119.6 secs Computing kpt #: 242 total cpu time spent up to now is 120.1 secs Computing kpt #: 243 total cpu time spent up to now is 120.6 secs Computing kpt #: 244 total cpu time spent up to now is 121.0 secs Computing kpt #: 245 total cpu time spent up to now is 121.4 secs Computing kpt #: 246 total cpu time spent up to now is 121.9 secs Computing kpt #: 247 total cpu time spent up to now is 122.3 secs Computing kpt #: 248 total cpu time spent up to now is 122.8 secs Computing kpt #: 249 total cpu time spent up to now is 123.2 secs Computing kpt #: 250 total cpu time spent up to now is 123.6 secs Computing kpt #: 251 total cpu time spent up to now is 124.1 secs Computing kpt #: 252 total cpu time spent up to now is 124.6 secs Computing kpt #: 253 total cpu time spent up to now is 125.0 secs Computing kpt #: 254 total cpu time spent up to now is 125.5 secs Computing kpt #: 255 total cpu time spent up to now is 126.0 secs Computing kpt #: 256 total cpu time spent up to now is 126.4 secs Computing kpt #: 257 total cpu time spent up to now is 127.0 secs Computing kpt #: 258 total cpu time spent up to now is 127.4 secs Computing kpt #: 259 total cpu time spent up to now is 128.0 secs Computing kpt #: 260 total cpu time spent up to now is 128.4 secs Computing kpt #: 261 total cpu time spent up to now is 128.9 secs Computing kpt #: 262 total cpu time spent up to now is 129.4 secs Computing kpt #: 263 total cpu time spent up to now is 129.9 secs Computing kpt #: 264 total cpu time spent up to now is 130.4 secs Computing kpt #: 265 total cpu time spent up to now is 130.9 secs Computing kpt #: 266 total cpu time spent up to now is 131.4 secs Computing kpt #: 267 total cpu time spent up to now is 132.0 secs Computing kpt #: 268 total cpu time spent up to now is 132.6 secs Computing kpt #: 269 total cpu time spent up to now is 133.1 secs Computing kpt #: 270 total cpu time spent up to now is 133.6 secs Computing kpt #: 271 total cpu time spent up to now is 134.2 secs Computing kpt #: 272 total cpu time spent up to now is 134.6 secs Computing kpt #: 273 total cpu time spent up to now is 135.1 secs Computing kpt #: 274 total cpu time spent up to now is 135.5 secs Computing kpt #: 275 total cpu time spent up to now is 136.0 secs Computing kpt #: 276 total cpu time spent up to now is 136.5 secs Computing kpt #: 277 total cpu time spent up to now is 137.0 secs Computing kpt #: 278 total cpu time spent up to now is 137.5 secs Computing kpt #: 279 total cpu time spent up to now is 138.0 secs Computing kpt #: 280 total cpu time spent up to now is 138.4 secs Computing kpt #: 281 total cpu time spent up to now is 138.9 secs Computing kpt #: 282 total cpu time spent up to now is 139.4 secs Computing kpt #: 283 total cpu time spent up to now is 139.8 secs Computing kpt #: 284 total cpu time spent up to now is 140.2 secs Computing kpt #: 285 total cpu time spent up to now is 140.7 secs Computing kpt #: 286 total cpu time spent up to now is 141.2 secs Computing kpt #: 287 total cpu time spent up to now is 141.7 secs Computing kpt #: 288 total cpu time spent up to now is 142.2 secs Computing kpt #: 289 total cpu time spent up to now is 142.6 secs Computing kpt #: 290 total cpu time spent up to now is 143.1 secs Computing kpt #: 291 total cpu time spent up to now is 143.6 secs Computing kpt #: 292 total cpu time spent up to now is 144.0 secs Computing kpt #: 293 total cpu time spent up to now is 144.5 secs Computing kpt #: 294 total cpu time spent up to now is 145.0 secs Computing kpt #: 295 total cpu time spent up to now is 145.6 secs Computing kpt #: 296 total cpu time spent up to now is 146.1 secs Computing kpt #: 297 total cpu time spent up to now is 146.5 secs Computing kpt #: 298 total cpu time spent up to now is 147.0 secs Computing kpt #: 299 total cpu time spent up to now is 147.5 secs Computing kpt #: 300 total cpu time spent up to now is 148.0 secs Computing kpt #: 301 total cpu time spent up to now is 148.5 secs Computing kpt #: 302 total cpu time spent up to now is 149.0 secs Computing kpt #: 303 total cpu time spent up to now is 149.5 secs Computing kpt #: 304 total cpu time spent up to now is 150.0 secs Computing kpt #: 305 total cpu time spent up to now is 150.5 secs Computing kpt #: 306 total cpu time spent up to now is 151.0 secs Computing kpt #: 307 total cpu time spent up to now is 151.5 secs Computing kpt #: 308 total cpu time spent up to now is 152.0 secs Computing kpt #: 309 total cpu time spent up to now is 152.5 secs Computing kpt #: 310 total cpu time spent up to now is 153.0 secs Computing kpt #: 311 total cpu time spent up to now is 153.5 secs Computing kpt #: 312 total cpu time spent up to now is 153.9 secs Computing kpt #: 313 total cpu time spent up to now is 154.4 secs Computing kpt #: 314 total cpu time spent up to now is 155.0 secs Computing kpt #: 315 total cpu time spent up to now is 155.4 secs Computing kpt #: 316 total cpu time spent up to now is 155.9 secs Computing kpt #: 317 total cpu time spent up to now is 156.4 secs Computing kpt #: 318 total cpu time spent up to now is 156.9 secs Computing kpt #: 319 total cpu time spent up to now is 157.4 secs Computing kpt #: 320 total cpu time spent up to now is 157.8 secs Computing kpt #: 321 total cpu time spent up to now is 158.3 secs Computing kpt #: 322 total cpu time spent up to now is 158.8 secs Computing kpt #: 323 total cpu time spent up to now is 159.2 secs Computing kpt #: 324 total cpu time spent up to now is 159.8 secs Computing kpt #: 325 total cpu time spent up to now is 160.3 secs Computing kpt #: 326 total cpu time spent up to now is 160.9 secs Computing kpt #: 327 total cpu time spent up to now is 161.5 secs Computing kpt #: 328 total cpu time spent up to now is 162.0 secs Computing kpt #: 329 total cpu time spent up to now is 162.4 secs Computing kpt #: 330 total cpu time spent up to now is 162.9 secs Computing kpt #: 331 total cpu time spent up to now is 163.4 secs Computing kpt #: 332 total cpu time spent up to now is 163.9 secs Computing kpt #: 333 total cpu time spent up to now is 164.4 secs Computing kpt #: 334 total cpu time spent up to now is 164.8 secs ethr = 2.78E-08, avg # of iterations = 18.0 total cpu time spent up to now is 164.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2421 PWs) bands (ev): -47.8267 -47.8267 -22.2258 -22.2258 -14.5933 -14.5933 -14.5933 -14.5933 -7.7542 -7.7542 -7.7542 -7.7542 -6.7635 -6.7635 -6.7258 -6.7258 -6.7258 -6.7258 3.9281 3.9281 9.6879 9.6879 9.6879 9.6879 10.6008 10.6008 10.6731 10.6731 10.6731 10.6731 11.8951 11.8951 12.3300 12.3300 12.3300 12.3300 14.9875 14.9875 16.9101 16.9101 16.9101 16.9101 19.4427 19.4427 k = 0.0100-0.0058 0.0082 ( 2421 PWs) bands (ev): -47.8267 -47.8267 -22.2258 -22.2258 -14.5933 -14.5933 -14.5933 -14.5933 -7.7546 -7.7546 -7.7539 -7.7539 -6.7635 -6.7635 -6.7261 -6.7261 -6.7254 -6.7254 3.9299 3.9299 9.6760 9.6760 9.6984 9.6984 10.5968 10.5968 10.6561 10.6561 10.6940 10.6940 11.8938 11.8938 12.3204 12.3204 12.3353 12.3353 14.9982 14.9982 16.9019 16.9019 16.9134 16.9134 19.4430 19.4430 k = 0.0200-0.0115 0.0163 ( 2421 PWs) bands (ev): -47.8267 -47.8267 -22.2258 -22.2258 -14.5933 -14.5933 -14.5932 -14.5932 -7.7549 -7.7549 -7.7537 -7.7537 -6.7635 -6.7635 -6.7265 -6.7265 -6.7251 -6.7251 3.9353 3.9353 9.6624 9.6624 9.7076 9.7076 10.5843 10.5843 10.6465 10.6465 10.7162 10.7162 11.8899 11.8899 12.3053 12.3053 12.3375 12.3375 15.0302 15.0302 16.8881 16.8881 16.9128 16.9128 19.4437 19.4437 k = 0.0300-0.0173 0.0245 ( 2417 PWs) bands (ev): -47.8267 -47.8267 -22.2257 -22.2257 -14.5934 -14.5934 -14.5932 -14.5932 -7.7553 -7.7553 -7.7535 -7.7535 -6.7635 -6.7635 -6.7269 -6.7269 -6.7248 -6.7248 3.9442 3.9442 9.6468 9.6468 9.7159 9.7159 10.5649 10.5649 10.6441 10.6441 10.7383 10.7383 11.8832 11.8832 12.2848 12.2848 12.3379 12.3379 15.0822 15.0822 16.8679 16.8679 16.9090 16.9090 19.4446 19.4446 k = 0.0400-0.0231 0.0327 ( 2405 PWs) bands (ev): -47.8267 -47.8267 -22.2256 -22.2256 -14.5934 -14.5934 -14.5931 -14.5931 -7.7558 -7.7558 -7.7533 -7.7533 -6.7635 -6.7635 -6.7273 -6.7273 -6.7246 -6.7246 3.9566 3.9566 9.6289 9.6289 9.7234 9.7234 10.5419 10.5419 10.6462 10.6462 10.7597 10.7597 11.8736 11.8736 12.2598 12.2598 12.3371 12.3371 15.1530 15.1530 16.8411 16.8411 16.9024 16.9024 19.4449 19.4449 k = 0.0500-0.0289 0.0408 ( 2393 PWs) bands (ev): -47.8267 -47.8267 -22.2255 -22.2255 -14.5934 -14.5934 -14.5931 -14.5931 -7.7562 -7.7562 -7.7531 -7.7531 -6.7635 -6.7635 -6.7277 -6.7277 -6.7243 -6.7243 3.9726 3.9726 9.6085 9.6085 9.7301 9.7301 10.5176 10.5176 10.6510 10.6510 10.7797 10.7797 11.8611 11.8611 12.2319 12.2319 12.3356 12.3356 15.2404 15.2404 16.8077 16.8077 16.8934 16.8934 19.4437 19.4437 k = 0.0600-0.0346 0.0490 ( 2385 PWs) bands (ev): -47.8267 -47.8267 -22.2254 -22.2254 -14.5935 -14.5935 -14.5930 -14.5930 -7.7567 -7.7567 -7.7530 -7.7530 -6.7635 -6.7635 -6.7281 -6.7281 -6.7241 -6.7241 3.9921 3.9921 9.5852 9.5852 9.7364 9.7364 10.4932 10.4932 10.6577 10.6577 10.7982 10.7982 11.8454 11.8454 12.2030 12.2030 12.3336 12.3336 15.3425 15.3425 16.7678 16.7678 16.8821 16.8821 19.4399 19.4399 k = 0.0700-0.0404 0.0572 ( 2381 PWs) bands (ev): -47.8267 -47.8267 -22.2254 -22.2254 -14.5936 -14.5936 -14.5929 -14.5929 -7.7572 -7.7572 -7.7529 -7.7529 -6.7634 -6.7634 -6.7285 -6.7285 -6.7239 -6.7239 4.0150 4.0150 9.5589 9.5589 9.7421 9.7421 10.4694 10.4694 10.6660 10.6660 10.8149 10.8149 11.8268 11.8268 12.1748 12.1748 12.3312 12.3312 15.4571 15.4571 16.7220 16.7220 16.8686 16.8686 19.4320 19.4320 k = 0.0800-0.0462 0.0653 ( 2381 PWs) bands (ev): -47.8267 -47.8267 -22.2254 -22.2254 -14.5939 -14.5939 -14.5929 -14.5929 -7.7578 -7.7578 -7.7528 -7.7528 -6.7634 -6.7634 -6.7289 -6.7289 -6.7237 -6.7237 4.0414 4.0414 9.5293 9.5293 9.7473 9.7473 10.4465 10.4465 10.6756 10.6756 10.8294 10.8294 11.8056 11.8056 12.1486 12.1486 12.3286 12.3286 15.5816 15.5816 16.6710 16.6710 16.8531 16.8531 19.4186 19.4186 k = 0.0900-0.0520 0.0735 ( 2381 PWs) bands (ev): -47.8266 -47.8266 -22.2254 -22.2254 -14.5941 -14.5941 -14.5929 -14.5929 -7.7583 -7.7583 -7.7528 -7.7528 -6.7634 -6.7634 -6.7294 -6.7294 -6.7235 -6.7235 4.0712 4.0712 9.4963 9.4963 9.7522 9.7522 10.4249 10.4249 10.6865 10.6865 10.8415 10.8415 11.7825 11.7825 12.1253 12.1253 12.3259 12.3259 15.7131 15.7131 16.6165 16.6165 16.8357 16.8357 19.3979 19.3979 k = 0.1000-0.0577 0.0816 ( 2373 PWs) bands (ev): -47.8266 -47.8266 -22.2254 -22.2254 -14.5944 -14.5944 -14.5928 -14.5928 -7.7589 -7.7589 -7.7528 -7.7528 -6.7634 -6.7634 -6.7298 -6.7298 -6.7234 -6.7234 4.1043 4.1043 9.4599 9.4599 9.7566 9.7566 10.4048 10.4048 10.6985 10.6985 10.8511 10.8511 11.7587 11.7587 12.1052 12.1052 12.3233 12.3233 15.8470 15.8470 16.5617 16.5617 16.8163 16.8163 19.3687 19.3687 k = 0.1100-0.0635 0.0898 ( 2373 PWs) bands (ev): -47.8266 -47.8266 -22.2254 -22.2254 -14.5947 -14.5947 -14.5928 -14.5928 -7.7595 -7.7595 -7.7529 -7.7529 -6.7634 -6.7634 -6.7303 -6.7303 -6.7233 -6.7233 4.1408 4.1408 9.4201 9.4201 9.7606 9.7606 10.3863 10.3863 10.7115 10.7115 10.8579 10.8579 11.7351 11.7351 12.0883 12.0883 12.3209 12.3209 15.9740 15.9740 16.5148 16.5148 16.7953 16.7953 19.3296 19.3296 k = 0.1200-0.0693 0.0980 ( 2381 PWs) bands (ev): -47.8266 -47.8266 -22.2255 -22.2255 -14.5951 -14.5951 -14.5927 -14.5927 -7.7602 -7.7602 -7.7530 -7.7530 -6.7634 -6.7634 -6.7308 -6.7308 -6.7232 -6.7232 4.1804 4.1804 9.3773 9.3773 9.7642 9.7642 10.3696 10.3696 10.7254 10.7254 10.8620 10.8620 11.7130 11.7130 12.0746 12.0746 12.3189 12.3189 16.0715 16.0715 16.4972 16.4972 16.7728 16.7728 19.2798 19.2798 k = 0.1300-0.0751 0.1061 ( 2373 PWs) bands (ev): -47.8266 -47.8266 -22.2255 -22.2255 -14.5954 -14.5954 -14.5927 -14.5927 -7.7608 -7.7608 -7.7531 -7.7531 -6.7634 -6.7634 -6.7312 -6.7312 -6.7231 -6.7231 4.2233 4.2233 9.3315 9.3315 9.7672 9.7672 10.3546 10.3546 10.7399 10.7399 10.8632 10.8632 11.6932 11.6932 12.0636 12.0636 12.3173 12.3173 16.1027 16.1027 16.5439 16.5439 16.7497 16.7497 19.2193 19.2193 k = 0.1400-0.0808 0.1143 ( 2373 PWs) bands (ev): -47.8265 -47.8265 -22.2255 -22.2255 -14.5957 -14.5957 -14.5926 -14.5926 -7.7615 -7.7615 -7.7533 -7.7533 -6.7634 -6.7634 -6.7317 -6.7317 -6.7231 -6.7231 4.2692 4.2692 9.2833 9.2833 9.7696 9.7696 10.3412 10.3412 10.7549 10.7549 10.8619 10.8619 11.6765 11.6765 12.0553 12.0553 12.3164 12.3164 16.0657 16.0657 16.6485 16.6485 16.7336 16.7336 19.1484 19.1484 k = 0.1500-0.0866 0.1225 ( 2369 PWs) bands (ev): -47.8265 -47.8265 -22.2255 -22.2255 -14.5961 -14.5961 -14.5925 -14.5925 -7.7621 -7.7621 -7.7535 -7.7535 -6.7634 -6.7634 -6.7322 -6.7322 -6.7231 -6.7231 4.3182 4.3182 9.2329 9.2329 9.7715 9.7715 10.3294 10.3294 10.7702 10.7702 10.8583 10.8583 11.6633 11.6633 12.0494 12.0494 12.3163 12.3163 15.9917 15.9917 16.6816 16.6816 16.8220 16.8220 19.0684 19.0684 k = 0.1600-0.0924 0.1306 ( 2373 PWs) bands (ev): -47.8265 -47.8265 -22.2256 -22.2256 -14.5966 -14.5966 -14.5925 -14.5925 -7.7628 -7.7628 -7.7537 -7.7537 -6.7634 -6.7634 -6.7326 -6.7326 -6.7231 -6.7231 4.3700 4.3700 9.1810 9.1810 9.7725 9.7725 10.3189 10.3189 10.7850 10.7850 10.8533 10.8533 11.6537 11.6537 12.0458 12.0458 12.3171 12.3171 15.8991 15.8991 16.6569 16.6569 16.9819 16.9819 18.9806 18.9806 k = 0.1700-0.0981 0.1388 ( 2373 PWs) bands (ev): -47.8265 -47.8265 -22.2257 -22.2257 -14.5970 -14.5970 -14.5924 -14.5924 -7.7635 -7.7635 -7.7540 -7.7540 -6.7634 -6.7634 -6.7331 -6.7331 -6.7232 -6.7232 4.4247 4.4247 9.1280 9.1280 9.7727 9.7727 10.3097 10.3097 10.7982 10.7982 10.8484 10.8484 11.6476 11.6476 12.0444 12.0444 12.3190 12.3190 15.7951 15.7951 16.6272 16.6272 17.1524 17.1524 18.8871 18.8871 k = 0.1800-0.1039 0.1470 ( 2377 PWs) bands (ev): -47.8265 -47.8265 -22.2258 -22.2258 -14.5975 -14.5975 -14.5924 -14.5924 -7.7642 -7.7642 -7.7543 -7.7543 -6.7635 -6.7635 -6.7335 -6.7335 -6.7233 -6.7233 4.4820 4.4820 9.0745 9.0745 9.7721 9.7721 10.3016 10.3016 10.8061 10.8061 10.8474 10.8474 11.6447 11.6447 12.0454 12.0454 12.3222 12.3222 15.6826 15.6826 16.5956 16.5956 17.3264 17.3264 18.7901 18.7901 k = 0.1900-0.1097 0.1551 ( 2377 PWs) bands (ev): -47.8264 -47.8264 -22.2258 -22.2258 -14.5979 -14.5979 -14.5924 -14.5924 -7.7650 -7.7650 -7.7546 -7.7546 -6.7635 -6.7635 -6.7340 -6.7340 -6.7234 -6.7234 4.5418 4.5418 9.0210 9.0210 9.7704 9.7704 10.2944 10.2944 10.8052 10.8052 10.8545 10.8545 11.6448 11.6448 12.0487 12.0487 12.3268 12.3268 15.5631 15.5631 16.5625 16.5625 17.4999 17.4999 18.6920 18.6920 k = 0.2000-0.1155 0.1633 ( 2377 PWs) bands (ev): -47.8264 -47.8264 -22.2259 -22.2259 -14.5984 -14.5984 -14.5924 -14.5924 -7.7657 -7.7657 -7.7550 -7.7550 -6.7635 -6.7635 -6.7344 -6.7344 -6.7235 -6.7235 4.6040 4.6040 8.9680 8.9680 9.7676 9.7676 10.2879 10.2879 10.7979 10.7979 10.8672 10.8672 11.6473 11.6473 12.0543 12.0543 12.3329 12.3329 15.4375 15.4375 16.5283 16.5283 17.6687 17.6687 18.5964 18.5964 k = 0.2100-0.1212 0.1715 ( 2385 PWs) bands (ev): -47.8264 -47.8264 -22.2260 -22.2260 -14.5989 -14.5989 -14.5924 -14.5924 -7.7664 -7.7664 -7.7553 -7.7553 -6.7636 -6.7636 -6.7349 -6.7349 -6.7237 -6.7237 4.6683 4.6683 8.9161 8.9161 9.7637 9.7637 10.2821 10.2821 10.7881 10.7881 10.8821 10.8821 11.6518 11.6518 12.0624 12.0624 12.3406 12.3406 15.3065 15.3065 16.4931 16.4931 17.8255 17.8255 18.5093 18.5093 k = 0.2200-0.1270 0.1796 ( 2381 PWs) bands (ev): -47.8264 -47.8264 -22.2260 -22.2260 -14.5993 -14.5993 -14.5923 -14.5923 -7.7671 -7.7671 -7.7558 -7.7558 -6.7636 -6.7636 -6.7353 -6.7353 -6.7239 -6.7239 4.7347 4.7347 8.8657 8.8657 9.7586 9.7586 10.2767 10.2767 10.7777 10.7777 10.8975 10.8975 11.6578 11.6578 12.0730 12.0730 12.3501 12.3501 15.1704 15.1704 16.4571 16.4571 17.9538 17.9538 18.4439 18.4439 k = 0.2300-0.1328 0.1878 ( 2405 PWs) bands (ev): -47.8264 -47.8264 -22.2263 -22.2263 -14.6000 -14.6000 -14.5925 -14.5925 -7.7678 -7.7678 -7.7562 -7.7562 -6.7637 -6.7637 -6.7357 -6.7357 -6.7241 -6.7241 4.8028 4.8028 8.8174 8.8174 9.7523 9.7523 10.2718 10.2718 10.7672 10.7672 10.9128 10.9128 11.6648 11.6648 12.0862 12.0862 12.3615 12.3615 15.0300 15.0300 16.4204 16.4204 18.0203 18.0203 18.4263 18.4263 k = 0.2400-0.1386 0.1960 ( 2413 PWs) bands (ev): -47.8264 -47.8264 -22.2265 -22.2265 -14.6006 -14.6006 -14.5925 -14.5925 -7.7685 -7.7685 -7.7567 -7.7567 -6.7637 -6.7637 -6.7360 -6.7360 -6.7244 -6.7244 4.8725 4.8725 8.7717 8.7717 9.7448 9.7448 10.2672 10.2672 10.7572 10.7572 10.9279 10.9279 11.6722 11.6722 12.1021 12.1021 12.3748 12.3748 14.8856 14.8856 16.3832 16.3832 18.0058 18.0058 18.4574 18.4574 k = 0.2500-0.1443 0.2041 ( 2413 PWs) bands (ev): -47.8263 -47.8263 -22.2265 -22.2265 -14.6011 -14.6011 -14.5924 -14.5924 -7.7692 -7.7692 -7.7571 -7.7571 -6.7638 -6.7638 -6.7364 -6.7364 -6.7247 -6.7247 4.9434 4.9434 8.7291 8.7291 9.7361 9.7361 10.2628 10.2628 10.7479 10.7479 10.9426 10.9426 11.6797 11.6797 12.1206 12.1206 12.3901 12.3901 14.7379 14.7379 16.3456 16.3456 17.9428 17.9428 18.4693 18.4693 k = 0.2600-0.1501 0.2123 ( 2413 PWs) bands (ev): -47.8263 -47.8263 -22.2266 -22.2266 -14.6016 -14.6016 -14.5924 -14.5924 -7.7699 -7.7699 -7.7576 -7.7576 -6.7639 -6.7639 -6.7367 -6.7367 -6.7250 -6.7250 5.0153 5.0153 8.6900 8.6900 9.7264 9.7264 10.2586 10.2586 10.7393 10.7393 10.9566 10.9566 11.6867 11.6867 12.1418 12.1418 12.4075 12.4075 14.5875 14.5875 16.3078 16.3078 17.8616 17.8616 18.4166 18.4166 k = 0.2700-0.1559 0.2205 ( 2389 PWs) bands (ev): -47.8263 -47.8263 -22.2264 -22.2264 -14.6018 -14.6018 -14.5922 -14.5922 -7.7705 -7.7705 -7.7582 -7.7582 -6.7640 -6.7640 -6.7371 -6.7371 -6.7253 -6.7253 5.0878 5.0878 8.6550 8.6550 9.7155 9.7155 10.2546 10.2546 10.7316 10.7316 10.9701 10.9701 11.6926 11.6926 12.1656 12.1656 12.4268 12.4268 14.4351 14.4351 16.2699 16.2699 17.7739 17.7739 18.3207 18.3207 k = 0.2800-0.1617 0.2286 ( 2393 PWs) bands (ev): -47.8262 -47.8262 -22.2265 -22.2265 -14.6023 -14.6023 -14.5922 -14.5922 -7.7712 -7.7712 -7.7587 -7.7587 -6.7641 -6.7641 -6.7374 -6.7374 -6.7257 -6.7257 5.1605 5.1605 8.6245 8.6245 9.7038 9.7038 10.2506 10.2506 10.7247 10.7247 10.9830 10.9830 11.6969 11.6969 12.1921 12.1921 12.4482 12.4482 14.2816 14.2816 16.2320 16.2320 17.6840 17.6840 18.2085 18.2085 k = 0.2900-0.1674 0.2368 ( 2393 PWs) bands (ev): -47.8262 -47.8262 -22.2266 -22.2266 -14.6028 -14.6028 -14.5921 -14.5921 -7.7718 -7.7718 -7.7593 -7.7593 -6.7642 -6.7642 -6.7376 -6.7376 -6.7260 -6.7260 5.2331 5.2331 8.5989 8.5989 9.6912 9.6912 10.2467 10.2467 10.7185 10.7185 10.9953 10.9953 11.6988 11.6988 12.2210 12.2210 12.4715 12.4715 14.1279 14.1279 16.1944 16.1944 17.5932 17.5932 18.0926 18.0926 k = 0.3000-0.1732 0.2449 ( 2393 PWs) bands (ev): -47.8262 -47.8262 -22.2266 -22.2266 -14.6033 -14.6033 -14.5921 -14.5921 -7.7724 -7.7724 -7.7598 -7.7598 -6.7643 -6.7643 -6.7379 -6.7379 -6.7264 -6.7264 5.3051 5.3051 8.5789 8.5789 9.6780 9.6780 10.2428 10.2428 10.7131 10.7131 11.0070 11.0070 11.6977 11.6977 12.2522 12.2522 12.4967 12.4967 13.9750 13.9750 16.1571 16.1571 17.5019 17.5019 17.9783 17.9783 k = 0.3100-0.1790 0.2531 ( 2393 PWs) bands (ev): -47.8262 -47.8262 -22.2267 -22.2267 -14.6037 -14.6037 -14.5920 -14.5920 -7.7730 -7.7730 -7.7604 -7.7604 -6.7644 -6.7644 -6.7381 -6.7381 -6.7268 -6.7268 5.3762 5.3762 8.5648 8.5648 9.6642 9.6642 10.2388 10.2388 10.7082 10.7082 11.0182 11.0182 11.6926 11.6926 12.2857 12.2857 12.5237 12.5237 13.8241 13.8241 16.1204 16.1204 17.4101 17.4101 17.8688 17.8688 k = 0.3200-0.1848 0.2613 ( 2397 PWs) bands (ev): -47.8262 -47.8262 -22.2268 -22.2268 -14.6042 -14.6042 -14.5920 -14.5920 -7.7735 -7.7735 -7.7609 -7.7609 -6.7646 -6.7646 -6.7384 -6.7384 -6.7272 -6.7272 5.4457 5.4457 8.5571 8.5571 9.6500 9.6500 10.2349 10.2349 10.7040 10.7040 11.0288 11.0288 11.6827 11.6827 12.3211 12.3211 12.5521 12.5521 13.6767 13.6767 16.0842 16.0842 17.3174 17.3174 17.7656 17.7656 k = 0.3300-0.1905 0.2694 ( 2397 PWs) bands (ev): -47.8261 -47.8261 -22.2268 -22.2268 -14.6046 -14.6046 -14.5920 -14.5920 -7.7740 -7.7740 -7.7615 -7.7615 -6.7647 -6.7647 -6.7386 -6.7386 -6.7276 -6.7276 5.5133 5.5133 8.5562 8.5562 9.6357 9.6357 10.2309 10.2309 10.7002 10.7002 11.0391 11.0391 11.6667 11.6667 12.3581 12.3581 12.5819 12.5819 13.5343 13.5343 16.0489 16.0489 17.2238 17.2238 17.6693 17.6693 k = 0.3400-0.1963 0.2776 ( 2397 PWs) bands (ev): -47.8261 -47.8261 -22.2269 -22.2269 -14.6050 -14.6050 -14.5920 -14.5920 -7.7745 -7.7745 -7.7621 -7.7621 -6.7648 -6.7648 -6.7387 -6.7387 -6.7281 -6.7281 5.5785 5.5785 8.5627 8.5627 9.6212 9.6212 10.2268 10.2268 10.6967 10.6967 11.0488 11.0488 11.6434 11.6434 12.3966 12.3966 12.6126 12.6126 13.3987 13.3987 16.0146 16.0146 17.1293 17.1293 17.5792 17.5792 k = 0.3500-0.2021 0.2858 ( 2377 PWs) bands (ev): -47.8261 -47.8261 -22.2267 -22.2267 -14.6053 -14.6053 -14.5917 -14.5917 -7.7750 -7.7750 -7.7626 -7.7626 -6.7650 -6.7650 -6.7389 -6.7389 -6.7285 -6.7285 5.6407 5.6407 8.5767 8.5767 9.6069 9.6069 10.2226 10.2226 10.6937 10.6937 11.0582 11.0582 11.6114 11.6114 12.4360 12.4360 12.6439 12.6439 13.2720 13.2720 15.9813 15.9813 17.0344 17.0344 17.4894 17.4894 k = 0.3600-0.2078 0.2939 ( 2377 PWs) bands (ev): -47.8260 -47.8260 -22.2267 -22.2267 -14.6057 -14.6057 -14.5917 -14.5917 -7.7754 -7.7754 -7.7632 -7.7632 -6.7651 -6.7651 -6.7390 -6.7390 -6.7289 -6.7289 5.6996 5.6996 8.5987 8.5987 9.5928 9.5928 10.2184 10.2184 10.6909 10.6909 11.0672 11.0672 11.5693 11.5693 12.4760 12.4760 12.6752 12.6752 13.1564 13.1564 15.9492 15.9492 16.9399 16.9399 17.3893 17.3893 k = 0.3700-0.2136 0.3021 ( 2377 PWs) bands (ev): -47.8260 -47.8260 -22.2268 -22.2268 -14.6061 -14.6061 -14.5916 -14.5916 -7.7758 -7.7758 -7.7637 -7.7637 -6.7652 -6.7652 -6.7392 -6.7392 -6.7293 -6.7293 5.7548 5.7548 8.6289 8.6289 9.5791 9.5791 10.2139 10.2139 10.6883 10.6883 11.0756 11.0756 11.5161 11.5161 12.5159 12.5159 12.7053 12.7054 13.0545 13.0545 15.9186 15.9186 16.8469 16.8469 17.2842 17.2842 k = 0.3800-0.2194 0.3103 ( 2377 PWs) bands (ev): -47.8260 -47.8260 -22.2268 -22.2268 -14.6064 -14.6064 -14.5916 -14.5916 -7.7762 -7.7762 -7.7642 -7.7642 -6.7654 -6.7654 -6.7393 -6.7393 -6.7297 -6.7297 5.8060 5.8060 8.6672 8.6672 9.5659 9.5659 10.2093 10.2093 10.6859 10.6859 11.0836 11.0836 11.4512 11.4512 12.5549 12.5549 12.7324 12.7324 12.9696 12.9696 15.8894 15.8894 16.7561 16.7561 17.1815 17.1815 k = 0.3900-0.2252 0.3184 ( 2377 PWs) bands (ev): -47.8260 -47.8260 -22.2268 -22.2268 -14.6067 -14.6067 -14.5916 -14.5916 -7.7765 -7.7765 -7.7647 -7.7647 -6.7655 -6.7655 -6.7394 -6.7394 -6.7301 -6.7301 5.8529 5.8529 8.7137 8.7137 9.5533 9.5533 10.2045 10.2045 10.6836 10.6836 11.0908 11.0908 11.3747 11.3747 12.5914 12.5914 12.7515 12.7515 12.9078 12.9078 15.8618 15.8618 16.6687 16.6687 17.0836 17.0836 k = 0.4000-0.2309 0.3266 ( 2369 PWs) bands (ev): -47.8260 -47.8260 -22.2268 -22.2268 -14.6069 -14.6069 -14.5915 -14.5915 -7.7768 -7.7768 -7.7652 -7.7652 -6.7656 -6.7656 -6.7394 -6.7394 -6.7305 -6.7305 5.8953 5.8953 8.7682 8.7682 9.5415 9.5415 10.1992 10.1992 10.6816 10.6816 11.0969 11.0969 11.2880 11.2880 12.6220 12.6220 12.7541 12.7541 12.8800 12.8800 15.8360 15.8360 16.5855 16.5855 16.9917 16.9917 k = 0.4100-0.2367 0.3348 ( 2369 PWs) bands (ev): -47.8259 -47.8259 -22.2268 -22.2268 -14.6072 -14.6072 -14.5915 -14.5915 -7.7771 -7.7771 -7.7656 -7.7656 -6.7657 -6.7657 -6.7395 -6.7395 -6.7308 -6.7308 5.9333 5.9333 8.8301 8.8301 9.5305 9.5305 10.1934 10.1934 10.6797 10.6797 11.0991 11.0991 11.1956 11.1956 12.6383 12.6383 12.7484 12.7484 12.8845 12.8845 15.8121 15.8121 16.5074 16.5074 16.9062 16.9062 k = 0.4200-0.2425 0.3429 ( 2377 PWs) bands (ev): -47.8259 -47.8259 -22.2269 -22.2269 -14.6075 -14.6075 -14.5915 -14.5915 -7.7773 -7.7773 -7.7661 -7.7661 -6.7658 -6.7658 -6.7395 -6.7395 -6.7311 -6.7311 5.9667 5.9667 8.8990 8.8990 9.5205 9.5205 10.1868 10.1868 10.6779 10.6779 11.0662 11.0662 11.1308 11.1308 12.6327 12.6327 12.7577 12.7577 12.9032 12.9032 15.7902 15.7902 16.4350 16.4350 16.8279 16.8279 k = 0.4300-0.2483 0.3511 ( 2374 PWs) bands (ev): -47.8259 -47.8259 -22.2269 -22.2269 -14.6076 -14.6076 -14.5915 -14.5915 -7.7776 -7.7776 -7.7664 -7.7664 -6.7659 -6.7659 -6.7396 -6.7396 -6.7314 -6.7314 5.9956 5.9956 8.9739 8.9739 9.5115 9.5115 10.1789 10.1789 10.6762 10.6762 10.9696 10.9696 11.1256 11.1256 12.6149 12.6149 12.7804 12.7804 12.9255 12.9255 15.7705 15.7705 16.3693 16.3693 16.7572 16.7572 k = 0.4400-0.2540 0.3593 ( 2374 PWs) bands (ev): -47.8259 -47.8259 -22.2269 -22.2269 -14.6078 -14.6078 -14.5915 -14.5915 -7.7777 -7.7777 -7.7668 -7.7668 -6.7660 -6.7660 -6.7396 -6.7396 -6.7317 -6.7317 6.0202 6.0202 9.0534 9.0534 9.5036 9.5036 10.1690 10.1690 10.6747 10.6747 10.8639 10.8639 11.1285 11.1285 12.5960 12.5960 12.8066 12.8066 12.9476 12.9476 15.7531 15.7531 16.3107 16.3107 16.6947 16.6947 k = 0.4500-0.2598 0.3674 ( 2382 PWs) bands (ev): -47.8259 -47.8259 -22.2270 -22.2270 -14.6081 -14.6081 -14.5915 -14.5915 -7.7779 -7.7779 -7.7670 -7.7670 -6.7661 -6.7661 -6.7396 -6.7396 -6.7319 -6.7319 6.0407 6.0407 9.1358 9.1358 9.4969 9.4969 10.1562 10.1562 10.6729 10.6729 10.7612 10.7612 11.1321 11.1321 12.5798 12.5798 12.8319 12.8319 12.9677 12.9677 15.7381 15.7381 16.2599 16.2599 16.6409 16.6409 k = 0.4600-0.2656 0.3756 ( 2382 PWs) bands (ev): -47.8259 -47.8259 -22.2271 -22.2271 -14.6082 -14.6082 -14.5915 -14.5915 -7.7780 -7.7780 -7.7673 -7.7673 -6.7662 -6.7662 -6.7396 -6.7396 -6.7321 -6.7321 6.0571 6.0571 9.2181 9.2181 9.4916 9.4916 10.1393 10.1393 10.6594 10.6594 10.6791 10.6791 11.1354 11.1354 12.5670 12.5670 12.8543 12.8543 12.9851 12.9851 15.7256 15.7256 16.2174 16.2174 16.5962 16.5962 k = 0.4700-0.2714 0.3838 ( 2382 PWs) bands (ev): -47.8259 -47.8259 -22.2271 -22.2271 -14.6083 -14.6083 -14.5915 -14.5915 -7.7781 -7.7781 -7.7675 -7.7675 -6.7662 -6.7662 -6.7397 -6.7397 -6.7322 -6.7322 6.0697 6.0697 9.2961 9.2961 9.4878 9.4878 10.1174 10.1174 10.5844 10.5844 10.6731 10.6731 11.1381 11.1381 12.5575 12.5575 12.8726 12.8726 12.9990 12.9990 15.7158 15.7158 16.1839 16.1839 16.5610 16.5610 k = 0.4800-0.2771 0.3919 ( 2374 PWs) bands (ev): -47.8259 -47.8259 -22.2270 -22.2270 -14.6083 -14.6083 -14.5914 -14.5914 -7.7782 -7.7782 -7.7676 -7.7676 -6.7662 -6.7662 -6.7397 -6.7397 -6.7323 -6.7323 6.0786 6.0786 9.3630 9.3630 9.4859 9.4859 10.0921 10.0921 10.5247 10.5247 10.6721 10.6721 11.1401 11.1401 12.5510 12.5510 12.8862 12.8862 13.0093 13.0093 15.7087 15.7087 16.1596 16.1596 16.5356 16.5356 k = 0.4900-0.2829 0.4001 ( 2366 PWs) bands (ev): -47.8259 -47.8259 -22.2269 -22.2269 -14.6083 -14.6083 -14.5913 -14.5913 -7.7782 -7.7782 -7.7677 -7.7677 -6.7663 -6.7663 -6.7397 -6.7397 -6.7324 -6.7324 6.0839 6.0839 9.4088 9.4088 9.4866 9.4866 10.0699 10.0699 10.4882 10.4882 10.6716 10.6716 11.1413 11.1413 12.5472 12.5472 12.8946 12.8946 13.0155 13.0155 15.7044 15.7044 16.1449 16.1449 16.5203 16.5203 k = 0.5000-0.2887 0.4082 ( 2346 PWs) bands (ev): -47.8259 -47.8259 -22.2267 -22.2267 -14.6081 -14.6081 -14.5912 -14.5912 -7.7782 -7.7782 -7.7677 -7.7677 -6.7663 -6.7663 -6.7397 -6.7397 -6.7324 -6.7324 6.0857 6.0857 9.4246 9.4246 9.4879 9.4879 10.0607 10.0607 10.4762 10.4762 10.6715 10.6715 11.1418 11.1418 12.5460 12.5460 12.8974 12.8974 13.0176 13.0176 15.7030 15.7030 16.1400 16.1400 16.5152 16.5152 k = 0.5000-0.2887 0.4082 ( 2346 PWs) bands (ev): -47.8259 -47.8259 -22.2267 -22.2267 -14.6081 -14.6081 -14.5912 -14.5912 -7.7782 -7.7782 -7.7677 -7.7677 -6.7663 -6.7663 -6.7397 -6.7397 -6.7324 -6.7324 6.0857 6.0857 9.4246 9.4246 9.4879 9.4879 10.0607 10.0607 10.4762 10.4762 10.6715 10.6715 11.1418 11.1418 12.5460 12.5460 12.8974 12.8974 13.0176 13.0176 15.7030 15.7030 16.1400 16.1400 16.5152 16.5152 k = 0.5000-0.2771 0.4164 ( 2366 PWs) bands (ev): -47.8259 -47.8259 -22.2269 -22.2268 -14.6085 -14.6081 -14.5915 -14.5913 -7.7786 -7.7778 -7.7684 -7.7670 -6.7665 -6.7661 -6.7400 -6.7393 -6.7326 -6.7322 6.0809 6.0913 9.4189 9.4284 9.4803 9.4953 10.0606 10.0640 10.4635 10.4868 10.6511 10.6917 11.1187 11.1614 12.5121 12.5538 12.9034 12.9092 13.0090 13.0400 15.6892 15.7134 16.1350 16.1438 16.4998 16.5245 k = 0.5000-0.2656 0.4246 ( 2372 PWs) bands (ev): -47.8259 -47.8259 -22.2271 -22.2269 -14.6087 -14.6079 -14.5917 -14.5912 -7.7790 -7.7774 -7.7691 -7.7664 -6.7666 -6.7658 -6.7404 -6.7390 -6.7328 -6.7320 6.0770 6.0978 9.4119 9.4287 9.4742 9.5017 10.0636 10.0707 10.4489 10.4954 10.6310 10.7115 11.0929 11.1769 12.4626 12.5361 12.9135 12.9278 13.0245 13.0798 15.6726 15.7205 16.1294 16.1464 16.4796 16.5281 k = 0.5000-0.2540 0.4327 ( 2380 PWs) bands (ev): -47.8259 -47.8259 -22.2272 -22.2269 -14.6089 -14.6076 -14.5920 -14.5913 -7.7794 -7.7769 -7.7698 -7.7657 -6.7668 -6.7656 -6.7408 -6.7387 -6.7330 -6.7318 6.0740 6.1052 9.4042 9.4240 9.4710 9.5067 10.0695 10.0806 10.4322 10.5016 10.6115 10.7304 11.0657 11.1883 12.4076 12.5032 12.9162 12.9271 13.0791 13.1385 15.6533 15.7242 16.1236 16.1474 16.4567 16.5271 k = 0.5000-0.2425 0.4409 ( 2380 PWs) bands (ev): -47.8259 -47.8259 -22.2273 -22.2268 -14.6090 -14.6073 -14.5922 -14.5912 -7.7797 -7.7765 -7.7705 -7.7650 -6.7669 -6.7654 -6.7412 -6.7384 -6.7331 -6.7315 6.0719 6.1133 9.3959 9.4147 9.4711 9.5103 10.0780 10.0935 10.4133 10.5042 10.5938 10.7476 11.0386 11.1953 12.3531 12.4642 12.9097 12.9115 13.1586 13.2118 15.6319 15.7247 16.1178 16.1470 16.4332 16.5231 k = 0.5000-0.2309 0.4491 ( 2388 PWs) bands (ev): -47.8259 -47.8259 -22.2274 -22.2269 -14.6091 -14.6071 -14.5925 -14.5913 -7.7800 -7.7761 -7.7711 -7.7644 -6.7671 -6.7651 -6.7415 -6.7382 -6.7333 -6.7312 6.0706 6.1223 9.3873 9.4021 9.4728 9.5123 10.0888 10.1092 10.3920 10.5017 10.5796 10.7617 11.0142 11.1984 12.3020 12.4241 12.8886 12.8954 13.2500 13.2951 15.6091 15.7221 16.1125 16.1454 16.4108 16.5175 k = 0.5000-0.2194 0.4572 ( 2390 PWs) bands (ev): -47.8259 -47.8259 -22.2275 -22.2269 -14.6092 -14.6068 -14.5927 -14.5913 -7.7804 -7.7756 -7.7718 -7.7638 -6.7672 -6.7648 -6.7419 -6.7379 -6.7334 -6.7310 6.0701 6.1319 9.3785 9.3878 9.4752 9.5129 10.1015 10.1271 10.3680 10.4921 10.5708 10.7705 10.9955 11.1981 12.2559 12.3853 12.8604 12.8747 13.3479 13.3851 15.5854 15.7168 16.1077 16.1430 16.3905 16.5113 k = 0.5000-0.2078 0.4654 ( 2388 PWs) bands (ev): -47.8259 -47.8259 -22.2275 -22.2268 -14.6093 -14.6064 -14.5929 -14.5913 -7.7807 -7.7751 -7.7725 -7.7632 -6.7673 -6.7646 -6.7423 -6.7377 -6.7335 -6.7307 6.0703 6.1422 9.3695 9.3725 9.4776 9.5124 10.1159 10.1467 10.3414 10.4759 10.5670 10.7716 10.9862 11.1952 12.2155 12.3490 12.8277 12.8482 13.4495 13.4797 15.5615 15.7094 16.1037 16.1404 16.3727 16.5049 k = 0.5000-0.1963 0.4736 ( 2384 PWs) bands (ev): -47.8259 -47.8259 -22.2275 -22.2267 -14.6093 -14.6060 -14.5932 -14.5914 -7.7809 -7.7747 -7.7731 -7.7626 -6.7673 -6.7643 -6.7427 -6.7375 -6.7337 -6.7304 6.0712 6.1530 9.3566 9.3606 9.4797 9.5109 10.1315 10.1672 10.3123 10.4553 10.5663 10.7636 10.9884 11.1908 12.1808 12.3156 12.7909 12.8165 13.5532 13.5773 15.5380 15.7005 16.1004 16.1379 16.3570 16.4986 k = 0.5000-0.1848 0.4817 ( 2378 PWs) bands (ev): -47.8259 -47.8258 -22.2275 -22.2266 -14.6092 -14.6056 -14.5934 -14.5914 -7.7812 -7.7742 -7.7737 -7.7621 -6.7674 -6.7640 -6.7431 -6.7373 -6.7338 -6.7301 6.0728 6.1643 9.3405 9.3517 9.4816 9.5087 10.1481 10.1875 10.2807 10.4326 10.5669 10.7480 11.0014 11.1860 12.1516 12.2852 12.7501 12.7801 13.6580 13.6769 15.5154 15.6906 16.0978 16.1361 16.3432 16.4926 k = 0.5000-0.1732 0.4899 ( 2380 PWs) bands (ev): -47.8259 -47.8258 -22.2276 -22.2266 -14.6092 -14.6052 -14.5937 -14.5916 -7.7814 -7.7743 -7.7738 -7.7616 -6.7674 -6.7637 -6.7435 -6.7372 -6.7339 -6.7298 6.0749 6.1760 9.3244 9.3430 9.4831 9.5060 10.1647 10.2062 10.2477 10.4099 10.5677 10.7279 11.0227 11.1821 12.1273 12.2577 12.7057 12.7394 13.7626 13.7774 15.4941 15.6805 16.0957 16.1351 16.3308 16.4868 k = 0.5000-0.1617 0.4981 ( 2378 PWs) bands (ev): -47.8259 -47.8258 -22.2276 -22.2265 -14.6092 -14.6048 -14.5940 -14.5917 -7.7817 -7.7749 -7.7734 -7.7611 -6.7675 -6.7634 -6.7438 -6.7370 -6.7339 -6.7296 6.0775 6.1879 9.3084 9.3344 9.4843 9.5031 10.1781 10.2167 10.2208 10.3897 10.5683 10.7057 11.0502 11.1804 12.1073 12.2331 12.6580 12.6947 13.8663 13.8778 15.4746 15.6705 16.0942 16.1350 16.3193 16.4812 k = 0.5000-0.1501 0.5062 ( 2378 PWs) bands (ev): -47.8260 -47.8258 -22.2276 -22.2265 -14.6091 -14.6044 -14.5943 -14.5919 -7.7819 -7.7754 -7.7729 -7.7606 -6.7675 -6.7631 -6.7441 -6.7369 -6.7340 -6.7293 6.0805 6.1999 9.2927 9.3260 9.4852 9.5001 10.1649 10.2113 10.2277 10.3757 10.5684 10.6830 11.0824 11.1818 12.0909 12.2110 12.6071 12.6467 13.9683 13.9773 15.4569 15.6613 16.0930 16.1357 16.3083 16.4758 k = 0.5000-0.1386 0.5144 ( 2378 PWs) bands (ev): -47.8260 -47.8258 -22.2277 -22.2264 -14.6090 -14.6040 -14.5946 -14.5920 -7.7821 -7.7760 -7.7725 -7.7602 -6.7675 -6.7629 -6.7445 -6.7368 -6.7341 -6.7290 6.0837 6.2120 9.2773 9.3179 9.4859 9.4972 10.1307 10.2234 10.2269 10.3714 10.5677 10.6608 11.1183 11.1873 12.0774 12.1913 12.5535 12.5959 14.0677 14.0750 15.4413 15.6530 16.0920 16.1372 16.2975 16.4705 k = 0.5000-0.1270 0.5226 ( 2374 PWs) bands (ev): -47.8260 -47.8258 -22.2276 -22.2263 -14.6089 -14.6035 -14.5949 -14.5923 -7.7822 -7.7764 -7.7721 -7.7598 -6.7676 -6.7626 -6.7448 -6.7367 -6.7342 -6.7288 6.0872 6.2238 9.2625 9.3101 9.4865 9.4947 10.0940 10.2083 10.2450 10.3767 10.5662 10.6395 11.1574 11.1976 12.0659 12.1738 12.4976 12.5429 14.1637 14.1701 15.4277 15.6458 16.0911 16.1393 16.2868 16.4652 k = 0.5000-0.1155 0.5307 ( 2378 PWs) bands (ev): -47.8260 -47.8258 -22.2277 -22.2264 -14.6088 -14.6030 -14.5952 -14.5925 -7.7824 -7.7769 -7.7718 -7.7595 -6.7676 -6.7623 -6.7450 -6.7366 -6.7342 -6.7286 6.0909 6.2353 9.2482 9.3027 9.4869 9.4925 10.0577 10.1861 10.2635 10.3879 10.5639 10.6191 11.1994 11.2128 12.0558 12.1581 12.4396 12.4885 14.2555 14.2617 15.4162 15.6398 16.0902 16.1419 16.2759 16.4600 k = 0.5000-0.1039 0.5389 ( 2374 PWs) bands (ev): -47.8260 -47.8258 -22.2277 -22.2263 -14.6087 -14.6026 -14.5955 -14.5927 -7.7825 -7.7773 -7.7714 -7.7591 -6.7676 -6.7621 -6.7453 -6.7365 -6.7343 -6.7284 6.0945 6.2464 9.2346 9.2957 9.4874 9.4908 10.0228 10.1606 10.2821 10.4018 10.5607 10.5996 11.2331 11.2440 12.0463 12.1442 12.3802 12.4338 14.3422 14.3488 15.4067 15.6350 16.0892 16.1448 16.2650 16.4549 k = 0.5000-0.0924 0.5471 ( 2374 PWs) bands (ev): -47.8260 -47.8258 -22.2277 -22.2262 -14.6086 -14.6022 -14.5957 -14.5930 -7.7826 -7.7777 -7.7711 -7.7588 -6.7676 -6.7619 -6.7455 -6.7364 -6.7343 -6.7282 6.0981 6.2568 9.2219 9.2891 9.4879 9.4896 9.9899 10.1341 10.3004 10.4163 10.5568 10.5810 11.2581 11.2908 12.0366 12.1315 12.3199 12.3798 14.4231 14.4307 15.3990 15.6312 16.0879 16.1478 16.2539 16.4499 k = 0.5000-0.0808 0.5552 ( 2382 PWs) bands (ev): -47.8260 -47.8258 -22.2278 -22.2263 -14.6085 -14.6018 -14.5961 -14.5933 -7.7827 -7.7780 -7.7708 -7.7586 -6.7676 -6.7617 -6.7457 -6.7364 -6.7344 -6.7280 6.1015 6.2665 9.2101 9.2831 9.4884 9.4889 9.9596 10.1083 10.3184 10.4306 10.5523 10.5632 11.2873 11.3397 12.0255 12.1195 12.2597 12.3281 14.4971 14.5063 15.3930 15.6284 16.0864 16.1508 16.2430 16.4450 k = 0.5000-0.0693 0.5634 ( 2374 PWs) bands (ev): -47.8260 -47.8258 -22.2278 -22.2262 -14.6083 -14.6014 -14.5963 -14.5935 -7.7828 -7.7783 -7.7706 -7.7584 -6.7676 -6.7615 -6.7459 -6.7363 -6.7344 -6.7278 6.1046 6.2752 9.1995 9.2776 9.4887 9.4891 9.9324 10.0842 10.3361 10.4440 10.5461 10.5471 11.3199 11.3903 12.0118 12.1065 12.2018 12.2806 14.5636 14.5747 15.3885 15.6262 16.0847 16.1536 16.2324 16.4405 k = 0.5000-0.0577 0.5715 ( 2366 PWs) bands (ev): -47.8260 -47.8258 -22.2277 -22.2261 -14.6082 -14.6010 -14.5964 -14.5937 -7.7829 -7.7786 -7.7704 -7.7582 -6.7676 -6.7613 -6.7461 -6.7363 -6.7344 -6.7277 6.1074 6.2829 9.1901 9.2729 9.4889 9.4897 9.9087 10.0625 10.3533 10.4565 10.5295 10.5414 11.3547 11.4420 11.9944 12.0864 12.1528 12.2395 14.6215 14.6349 15.3853 15.6247 16.0828 16.1563 16.2224 16.4363 k = 0.5000-0.0462 0.5797 ( 2368 PWs) bands (ev): -47.8260 -47.8258 -22.2277 -22.2261 -14.6081 -14.6007 -14.5966 -14.5939 -7.7830 -7.7788 -7.7702 -7.7580 -6.7676 -6.7612 -6.7462 -6.7363 -6.7345 -6.7276 6.1099 6.2894 9.1822 9.2689 9.4892 9.4904 9.8889 10.0438 10.3698 10.4680 10.5136 10.5353 11.3901 11.4940 11.9728 12.0481 12.1247 12.2067 14.6702 14.6858 15.3832 15.6237 16.0809 16.1586 16.2134 16.4327 k = 0.5000-0.0346 0.5879 ( 2372 PWs) bands (ev): -47.8260 -47.8258 -22.2278 -22.2261 -14.6081 -14.6004 -14.5968 -14.5941 -7.7830 -7.7790 -7.7700 -7.7579 -6.7676 -6.7611 -6.7463 -6.7362 -6.7345 -6.7275 6.1118 6.2945 9.1759 9.2657 9.4897 9.4910 9.8731 10.0288 10.3856 10.4786 10.4985 10.5287 11.4238 11.5450 11.9483 11.9978 12.1128 12.1829 14.7089 14.7266 15.3819 15.6229 16.0791 16.1605 16.2058 16.4297 k = 0.5000-0.0231 0.5960 ( 2368 PWs) bands (ev): -47.8260 -47.8258 -22.2277 -22.2261 -14.6080 -14.6002 -14.5968 -14.5943 -7.7830 -7.7791 -7.7699 -7.7578 -6.7676 -6.7610 -6.7464 -6.7362 -6.7345 -6.7274 6.1132 6.2983 9.1712 9.2634 9.4902 9.4915 9.8617 10.0178 10.3999 10.4846 10.4884 10.5217 11.4527 11.5919 11.9246 11.9487 12.1069 12.1674 14.7370 14.7565 15.3811 15.6225 16.0777 16.1619 16.2000 16.4275 k = 0.5000-0.0115 0.6042 ( 2360 PWs) bands (ev): -47.8260 -47.8258 -22.2277 -22.2260 -14.6079 -14.6000 -14.5968 -14.5943 -7.7831 -7.7791 -7.7699 -7.7577 -6.7676 -6.7610 -6.7464 -6.7362 -6.7345 -6.7274 6.1141 6.3005 9.1684 9.2619 9.4905 9.4918 9.8548 10.0110 10.4114 10.4735 10.4975 10.5143 11.4727 11.6284 11.9070 11.9103 12.1039 12.1589 14.7540 14.7747 15.3808 15.6222 16.0768 16.1628 16.1963 16.4261 k = 0.5000 0.0000 0.6124 ( 2352 PWs) bands (ev): -47.8260 -47.8258 -22.2276 -22.2259 -14.6079 -14.5999 -14.5967 -14.5942 -7.7831 -7.7792 -7.7698 -7.7577 -6.7676 -6.7610 -6.7464 -6.7362 -6.7345 -6.7274 6.1144 6.3013 9.1675 9.2615 9.4907 9.4919 9.8525 10.0087 10.4162 10.4688 10.5044 10.5079 11.4799 11.6432 11.8949 11.9005 12.1029 12.1562 14.7597 14.7808 15.3807 15.6221 16.0764 16.1631 16.1951 16.4257 k = 0.5000 0.0000 0.6124 ( 2352 PWs) bands (ev): -47.8260 -47.8258 -22.2276 -22.2259 -14.6079 -14.5999 -14.5967 -14.5942 -7.7831 -7.7792 -7.7698 -7.7577 -6.7676 -6.7610 -6.7464 -6.7362 -6.7345 -6.7274 6.1144 6.3013 9.1675 9.2615 9.4907 9.4919 9.8525 10.0087 10.4162 10.4688 10.5044 10.5079 11.4799 11.6432 11.8949 11.9005 12.1029 12.1562 14.7597 14.7808 15.3807 15.6221 16.0764 16.1631 16.1951 16.4257 k = 0.4931 0.0120 0.6124 ( 2362 PWs) bands (ev): -47.8260 -47.8258 -22.2277 -22.2260 -14.6079 -14.6000 -14.5968 -14.5943 -7.7831 -7.7792 -7.7698 -7.7577 -6.7676 -6.7610 -6.7464 -6.7362 -6.7345 -6.7274 6.1141 6.3008 9.1675 9.2604 9.4848 9.4939 9.8524 10.0113 10.4055 10.4708 10.5010 10.5203 11.4733 11.6413 11.8767 11.9229 12.1061 12.1666 14.7549 14.7808 15.3799 15.6207 16.0626 16.1669 16.1993 16.4369 k = 0.4861 0.0241 0.6124 ( 2366 PWs) bands (ev): -47.8260 -47.8258 -22.2277 -22.2261 -14.6079 -14.6001 -14.5968 -14.5943 -7.7831 -7.7792 -7.7698 -7.7578 -6.7676 -6.7610 -6.7463 -6.7363 -6.7344 -6.7274 6.1134 6.2992 9.1674 9.2575 9.4748 9.4932 9.8525 10.0182 10.3823 10.4751 10.4982 10.5428 11.4547 11.6359 11.8601 11.9423 12.1239 12.1978 14.7421 14.7794 15.3777 15.6164 16.0340 16.1502 16.2302 16.4672 k = 0.4792 0.0361 0.6124 ( 2368 PWs) bands (ev): -47.8260 -47.8258 -22.2277 -22.2261 -14.6080 -14.6002 -14.5968 -14.5942 -7.7830 -7.7792 -7.7697 -7.7578 -6.7676 -6.7611 -6.7463 -6.7364 -6.7343 -6.7274 6.1124 6.2969 9.1673 9.2534 9.4609 9.4912 9.8528 10.0280 10.3559 10.4785 10.4963 10.5681 11.4282 11.6259 11.8476 11.9458 12.1666 12.2470 14.7229 14.7743 15.3742 15.6089 16.0026 16.1204 16.2751 16.5099 k = 0.4722 0.0481 0.6124 ( 2366 PWs) bands (ev): -47.8260 -47.8258 -22.2277 -22.2261 -14.6080 -14.6004 -14.5967 -14.5941 -7.7830 -7.7792 -7.7695 -7.7579 -6.7675 -6.7611 -6.7461 -6.7365 -6.7342 -6.7275 6.1112 6.2939 9.1667 9.2489 9.4437 9.4887 9.8536 10.0394 10.3297 10.4814 10.4940 10.5935 11.3976 11.6108 11.8383 11.9361 12.2308 12.3119 14.6978 14.7642 15.3695 15.5983 15.9727 16.0867 16.3255 16.5598 k = 0.4653 0.0601 0.6124 ( 2368 PWs) bands (ev): -47.8260 -47.8258 -22.2277 -22.2261 -14.6080 -14.6005 -14.5967 -14.5939 -7.7830 -7.7792 -7.7693 -7.7580 -6.7675 -6.7612 -6.7460 -6.7366 -6.7340 -6.7275 6.1098 6.2904 9.1651 9.2448 9.4243 9.4863 9.8547 10.0511 10.3050 10.4840 10.4911 10.6178 11.3653 11.5919 11.8311 11.9197 12.3091 12.3899 14.6668 14.7482 15.3639 15.5845 15.9459 16.0527 16.3791 16.6140 k = 0.4583 0.0722 0.6124 ( 2379 PWs) bands (ev): -47.8260 -47.8258 -22.2278 -22.2262 -14.6081 -14.6008 -14.5967 -14.5939 -7.7829 -7.7793 -7.7691 -7.7581 -6.7675 -6.7612 -6.7458 -6.7367 -6.7339 -6.7275 6.1084 6.2865 9.1619 9.2420 9.4036 9.4839 9.8556 10.0625 10.2824 10.4829 10.4911 10.6404 11.3330 11.5704 11.8251 11.9006 12.3969 12.4787 14.6297 14.7254 15.3578 15.5681 15.9230 16.0202 16.4349 16.6707 k = 0.4514 0.0842 0.6124 ( 2377 PWs) bands (ev): -47.8260 -47.8258 -22.2278 -22.2262 -14.6081 -14.6010 -14.5966 -14.5937 -7.7828 -7.7793 -7.7688 -7.7582 -6.7675 -6.7613 -6.7456 -6.7369 -6.7337 -6.7276 6.1069 6.2825 9.1569 9.2414 9.3827 9.4817 9.8561 10.0731 10.2625 10.4760 10.4962 10.6611 11.3018 11.5477 11.8198 11.8809 12.4918 12.5761 14.5861 14.6951 15.3517 15.5496 15.9039 15.9904 16.4920 16.7286 k = 0.4444 0.0962 0.6124 ( 2373 PWs) bands (ev): -47.8260 -47.8258 -22.2278 -22.2262 -14.6081 -14.6011 -14.5965 -14.5934 -7.7828 -7.7794 -7.7685 -7.7584 -6.7675 -6.7614 -6.7454 -6.7370 -6.7336 -6.7276 6.1055 6.2783 9.1499 9.2431 9.3624 9.4794 9.8558 10.0828 10.2453 10.4666 10.5034 10.6799 11.2721 11.5249 11.8147 11.8614 12.5920 12.6803 14.5358 14.6565 15.3459 15.5299 15.8887 15.9639 16.5501 16.7870 k = 0.4375 0.1083 0.6124 ( 2371 PWs) bands (ev): -47.8260 -47.8258 -22.2277 -22.2262 -14.6081 -14.6013 -14.5964 -14.5932 -7.7827 -7.7796 -7.7681 -7.7586 -6.7675 -6.7615 -6.7452 -6.7371 -6.7334 -6.7277 6.1042 6.2741 9.1417 9.2464 9.3437 9.4767 9.8544 10.0918 10.2307 10.4553 10.5122 10.6967 11.2445 11.5027 11.8096 11.8432 12.6966 12.7896 14.4787 14.6092 15.3407 15.5100 15.8767 15.9408 16.6085 16.8449 k = 0.4306 0.1203 0.6124 ( 2370 PWs) bands (ev): -47.8260 -47.8258 -22.2277 -22.2262 -14.6082 -14.6015 -14.5963 -14.5930 -7.7826 -7.7797 -7.7677 -7.7589 -6.7675 -6.7615 -6.7450 -6.7373 -6.7333 -6.7278 6.1030 6.2700 9.1327 9.2502 9.3278 9.4735 9.8519 10.1003 10.2185 10.4427 10.5222 10.7117 11.2190 11.4815 11.8036 11.8274 12.8045 12.9028 14.4148 14.5531 15.3366 15.4907 15.8675 15.9211 16.6669 16.9016 k = 0.4236 0.1323 0.6124 ( 2370 PWs) bands (ev): -47.8260 -47.8258 -22.2277 -22.2262 -14.6082 -14.6017 -14.5962 -14.5928 -7.7825 -7.7799 -7.7672 -7.7591 -6.7675 -6.7616 -6.7448 -6.7374 -6.7332 -6.7278 6.1019 6.2661 9.1237 9.2526 9.3168 9.4693 9.8486 10.1087 10.2084 10.4290 10.5331 10.7249 11.1959 11.4620 11.7953 11.8157 12.9148 13.0189 14.3443 14.4883 15.3334 15.4726 15.8606 15.9049 16.7249 16.9559 k = 0.4167 0.1443 0.6124 ( 2364 PWs) bands (ev): -47.8260 -47.8258 -22.2276 -22.2261 -14.6082 -14.6018 -14.5961 -14.5926 -7.7823 -7.7801 -7.7668 -7.7594 -6.7675 -6.7617 -6.7446 -6.7375 -6.7330 -6.7279 6.1009 6.2626 9.1151 9.2513 9.3127 9.4640 9.8448 10.1170 10.2000 10.4150 10.5444 10.7364 11.1752 11.4444 11.7844 11.8088 13.0269 13.1367 14.2674 14.4153 15.3314 15.4563 15.8553 15.8916 16.7818 17.0066 k = 0.4097 0.1564 0.6124 ( 2364 PWs) bands (ev): -47.8260 -47.8258 -22.2276 -22.2261 -14.6082 -14.6019 -14.5961 -14.5925 -7.7822 -7.7803 -7.7664 -7.7597 -6.7675 -6.7617 -6.7444 -6.7376 -6.7330 -6.7279 6.1001 6.2594 9.1072 9.2460 9.3156 9.4576 9.8410 10.1249 10.1932 10.4012 10.5556 10.7461 11.1572 11.4290 11.7731 11.8046 13.1399 13.2554 14.1845 14.3344 15.3303 15.4420 15.8514 15.8811 16.8371 17.0518 k = 0.4028 0.1684 0.6124 ( 2366 PWs) bands (ev): -47.8260 -47.8258 -22.2276 -22.2261 -14.6082 -14.6020 -14.5960 -14.5924 -7.7820 -7.7805 -7.7659 -7.7599 -6.7675 -6.7618 -6.7443 -6.7377 -6.7329 -6.7280 6.0995 6.2567 9.1005 9.2390 9.3231 9.4501 9.8375 10.1322 10.1881 10.3883 10.5659 10.7540 11.1419 11.4162 11.7629 11.8018 13.2531 13.3743 14.0960 14.2465 15.3300 15.4301 15.8485 15.8731 16.8897 17.0892 k = 0.3958 0.1804 0.6124 ( 2366 PWs) bands (ev): -47.8260 -47.8258 -22.2276 -22.2261 -14.6082 -14.6021 -14.5960 -14.5923 -7.7819 -7.7807 -7.7656 -7.7602 -6.7675 -6.7618 -6.7441 -6.7378 -6.7328 -6.7280 6.0990 6.2545 9.0951 9.2322 9.3325 9.4420 9.8347 10.1380 10.1847 10.3770 10.5748 10.7603 11.1296 11.4059 11.7547 11.7998 13.3660 13.4925 14.0026 14.1523 15.3302 15.4205 15.8465 15.8672 16.9383 17.1163 k = 0.3889 0.1925 0.6124 ( 2364 PWs) bands (ev): -47.8260 -47.8258 -22.2276 -22.2261 -14.6082 -14.6022 -14.5960 -14.5922 -7.7817 -7.7808 -7.7653 -7.7604 -6.7675 -6.7618 -6.7440 -6.7379 -6.7328 -6.7280 6.0986 6.2530 9.0911 9.2268 9.3418 9.4340 9.8326 10.1420 10.1831 10.3681 10.5817 10.7647 11.1205 11.3985 11.7486 11.7984 13.4777 13.6093 13.9049 14.0527 15.3307 15.4135 15.8452 15.8632 16.9801 17.1312 k = 0.3819 0.2045 0.6124 ( 2369 PWs) bands (ev): -47.8260 -47.8258 -22.2276 -22.2262 -14.6082 -14.6022 -14.5960 -14.5922 -7.7816 -7.7810 -7.7651 -7.7606 -6.7675 -6.7619 -6.7440 -6.7379 -6.7327 -6.7280 6.0984 6.2520 9.0887 9.2235 9.3490 9.4278 9.8313 10.1442 10.1827 10.3624 10.5860 10.7674 11.1150 11.3941 11.7449 11.7976 13.5875 13.7228 13.8041 13.9488 15.3311 15.4092 15.8444 15.8608 17.0106 17.1356 k = 0.3750 0.2165 0.6124 ( 2364 PWs) bands (ev): -47.8260 -47.8258 -22.2276 -22.2261 -14.6082 -14.6022 -14.5960 -14.5922 -7.7815 -7.7811 -7.7650 -7.7606 -6.7675 -6.7619 -6.7440 -6.7379 -6.7327 -6.7280 6.0984 6.2517 9.0879 9.2223 9.3518 9.4254 9.8309 10.1448 10.1827 10.3604 10.5875 10.7683 11.1131 11.3926 11.7436 11.7974 13.6817 13.7109 13.8189 13.8579 15.3313 15.4077 15.8441 15.8601 17.0224 17.1355 k = 0.3750 0.2165 0.6124 ( 2364 PWs) bands (ev): -47.8260 -47.8258 -22.2276 -22.2261 -14.6082 -14.6022 -14.5960 -14.5922 -7.7815 -7.7811 -7.7650 -7.7606 -6.7675 -6.7619 -6.7440 -6.7379 -6.7327 -6.7280 6.0984 6.2517 9.0879 9.2223 9.3518 9.4254 9.8309 10.1448 10.1827 10.3604 10.5875 10.7683 11.1131 11.3926 11.7436 11.7974 13.6817 13.7109 13.8189 13.8579 15.3313 15.4077 15.8441 15.8601 17.0224 17.1355 k = 0.3679 0.2124 0.6008 ( 2366 PWs) bands (ev): -47.8260 -47.8258 -22.2276 -22.2261 -14.6081 -14.6019 -14.5962 -14.5923 -7.7819 -7.7810 -7.7642 -7.7606 -6.7675 -6.7617 -6.7439 -6.7379 -6.7327 -6.7278 6.0990 6.2565 9.0416 9.1725 9.3561 9.4249 9.7878 10.1143 10.1762 10.3657 10.6068 10.7799 11.1121 11.4288 11.7102 11.8204 13.7403 13.7523 13.8816 13.9132 15.3046 15.3819 15.8408 15.8459 17.1038 17.1980 k = 0.3608 0.2083 0.5893 ( 2362 PWs) bands (ev): -47.8260 -47.8258 -22.2276 -22.2261 -14.6078 -14.6016 -14.5963 -14.5924 -7.7822 -7.7808 -7.7634 -7.7606 -6.7675 -6.7616 -6.7437 -6.7380 -6.7326 -6.7275 6.0982 6.2591 8.9939 9.1200 9.3614 9.4250 9.7472 10.0821 10.1736 10.3716 10.6251 10.7923 11.1082 11.4672 11.6796 11.8500 13.7938 13.7990 13.9455 13.9693 15.2769 15.3560 15.8341 15.8408 17.1885 17.2569 k = 0.3538 0.2043 0.5777 ( 2370 PWs) bands (ev): -47.8260 -47.8258 -22.2276 -22.2261 -14.6077 -14.6015 -14.5964 -14.5926 -7.7825 -7.7807 -7.7626 -7.7606 -6.7674 -6.7615 -6.7435 -6.7380 -6.7326 -6.7272 6.0955 6.2588 8.9458 9.0658 9.3674 9.4253 9.7095 10.0515 10.1720 10.3783 10.6422 10.8049 11.1023 11.5062 11.6526 11.8845 13.8364 13.8580 14.0097 14.0264 15.2480 15.3297 15.8251 15.8441 17.2764 17.3091 k = 0.3467 0.2002 0.5662 ( 2373 PWs) bands (ev): -47.8260 -47.8258 -22.2277 -22.2261 -14.6076 -14.6014 -14.5965 -14.5927 -7.7827 -7.7805 -7.7618 -7.7607 -6.7674 -6.7614 -6.7432 -6.7380 -6.7326 -6.7269 6.0908 6.2554 8.8983 9.0111 9.3737 9.4250 9.6756 10.0235 10.1707 10.3858 10.6580 10.8176 11.0950 11.5416 11.6324 11.9223 13.8812 13.9172 14.0738 14.0849 15.2181 15.3028 15.8189 15.8505 17.3517 17.3671 k = 0.3396 0.1961 0.5546 ( 2373 PWs) bands (ev): -47.8260 -47.8258 -22.2277 -22.2261 -14.6074 -14.6014 -14.5964 -14.5928 -7.7829 -7.7802 -7.7610 -7.7608 -6.7673 -6.7613 -6.7429 -6.7380 -6.7326 -6.7267 6.0834 6.2481 8.8526 8.9572 9.3801 9.4233 9.6463 9.9985 10.1697 10.3940 10.6726 10.8302 11.0870 11.5590 11.6327 11.9618 13.9288 13.9766 14.1373 14.1453 15.1873 15.2753 15.8160 15.8598 17.3837 17.4603 k = 0.3325 0.1920 0.5430 ( 2363 PWs) bands (ev): -47.8260 -47.8258 -22.2275 -22.2260 -14.6071 -14.6013 -14.5962 -14.5927 -7.7829 -7.7800 -7.7609 -7.7603 -6.7673 -6.7613 -6.7426 -6.7380 -6.7326 -6.7264 6.0730 6.2367 8.8097 8.9051 9.3862 9.4191 9.6226 9.9769 10.1688 10.4031 10.6860 10.8423 11.0787 11.5494 11.6615 12.0019 13.9798 14.0357 14.2000 14.2081 15.1556 15.2471 15.8164 15.8716 17.4068 17.5555 k = 0.3255 0.1879 0.5315 ( 2367 PWs) bands (ev): -47.8260 -47.8259 -22.2276 -22.2260 -14.6069 -14.6014 -14.5960 -14.5928 -7.7829 -7.7797 -7.7610 -7.7595 -6.7672 -6.7613 -6.7422 -6.7379 -6.7326 -6.7261 6.0593 6.2206 8.7707 8.8559 9.3917 9.4115 9.6055 9.9590 10.1679 10.4128 10.6983 10.8538 11.0704 11.5303 11.7004 12.0413 14.0348 14.0938 14.2616 14.2742 15.1235 15.2186 15.8201 15.8857 17.4242 17.6515 k = 0.3184 0.1838 0.5199 ( 2359 PWs) bands (ev): -47.8260 -47.8259 -22.2274 -22.2259 -14.6067 -14.6014 -14.5958 -14.5928 -7.7829 -7.7794 -7.7611 -7.7587 -6.7672 -6.7613 -6.7418 -6.7379 -6.7326 -6.7258 6.0417 6.1996 8.7365 8.8107 9.3964 9.4001 9.5951 9.9450 10.1671 10.4231 10.7097 10.8645 11.0624 11.5095 11.7409 12.0790 14.0939 14.1496 14.3217 14.3448 15.0915 15.1902 15.8273 15.9018 17.4387 17.7447 k = 0.3113 0.1797 0.5084 ( 2363 PWs) bands (ev): -47.8260 -47.8259 -22.2275 -22.2259 -14.6065 -14.6015 -14.5956 -14.5928 -7.7828 -7.7791 -7.7613 -7.7580 -6.7671 -6.7613 -6.7413 -6.7379 -6.7327 -6.7255 6.0201 6.1732 8.7079 8.7702 9.3852 9.3998 9.5910 9.9352 10.1664 10.4340 10.7204 10.8742 11.0548 11.4885 11.7807 12.1142 14.1568 14.2017 14.3802 14.4208 15.0604 15.1628 15.8378 15.9194 17.4527 17.8236 k = 0.3042 0.1757 0.4968 ( 2369 PWs) bands (ev): -47.8261 -47.8259 -22.2275 -22.2260 -14.6063 -14.6017 -14.5953 -14.5929 -7.7825 -7.7788 -7.7614 -7.7573 -6.7670 -6.7613 -6.7408 -6.7378 -6.7327 -6.7252 5.9940 6.1413 8.6855 8.7353 9.3679 9.4019 9.5921 9.9297 10.1656 10.4454 10.7303 10.8827 11.0478 11.4679 11.8188 12.1462 14.2225 14.2483 14.4371 14.5031 15.0315 15.1378 15.8514 15.9383 17.4679 17.8725 k = 0.2972 0.1716 0.4853 ( 2369 PWs) bands (ev): -47.8261 -47.8259 -22.2275 -22.2260 -14.6061 -14.6018 -14.5950 -14.5929 -7.7823 -7.7784 -7.7616 -7.7565 -6.7669 -6.7613 -6.7403 -6.7377 -6.7327 -6.7249 5.9633 6.1039 8.6698 8.7066 9.3495 9.4026 9.5972 9.9285 10.1648 10.4573 10.7398 10.8901 11.0414 11.4477 11.8545 12.1746 14.2876 14.2883 14.4934 14.5922 15.0065 15.1174 15.8679 15.9581 17.4858 17.9044 k = 0.2901 0.1675 0.4737 ( 2365 PWs) bands (ev): -47.8261 -47.8259 -22.2274 -22.2259 -14.6058 -14.6019 -14.5947 -14.5928 -7.7819 -7.7780 -7.7618 -7.7559 -6.7668 -6.7614 -6.7398 -6.7377 -6.7328 -6.7246 5.9279 6.0609 8.6611 8.6845 9.3308 9.4019 9.6052 9.9313 10.1640 10.4695 10.7487 10.8960 11.0360 11.4280 11.8875 12.1989 14.3175 14.3489 14.5521 14.6882 14.9877 15.1042 15.8870 15.9784 17.5075 17.9337 k = 0.2830 0.1634 0.4622 ( 2369 PWs) bands (ev): -47.8261 -47.8259 -22.2274 -22.2260 -14.6056 -14.6020 -14.5945 -14.5928 -7.7815 -7.7776 -7.7619 -7.7552 -6.7667 -6.7614 -6.7393 -6.7376 -6.7328 -6.7243 5.8877 6.0126 8.6595 8.6695 9.3126 9.4001 9.6154 9.9380 10.1631 10.4819 10.7574 10.9005 11.0316 11.4086 11.9176 12.2190 14.3357 14.3959 14.6182 14.7907 14.9777 15.1015 15.9085 15.9990 17.5337 17.9652 k = 0.2759 0.1593 0.4506 ( 2369 PWs) bands (ev): -47.8261 -47.8260 -22.2273 -22.2260 -14.6054 -14.6021 -14.5942 -14.5928 -7.7810 -7.7772 -7.7621 -7.7546 -6.7666 -6.7615 -6.7388 -6.7375 -6.7328 -6.7239 5.8429 5.9593 8.6616 8.6648 9.2954 9.3974 9.6272 9.9482 10.1623 10.4946 10.7657 10.9034 11.0283 11.3896 11.9446 12.2348 14.3406 14.4222 14.6962 14.8970 14.9810 15.1124 15.9320 16.0197 17.5653 18.0006 k = 0.2689 0.1552 0.4391 ( 2377 PWs) bands (ev): -47.8261 -47.8260 -22.2274 -22.2260 -14.6052 -14.6022 -14.5940 -14.5928 -7.7805 -7.7767 -7.7622 -7.7539 -6.7665 -6.7615 -6.7382 -6.7374 -6.7329 -6.7236 5.7937 5.9014 8.6608 8.6769 9.2796 9.3942 9.6404 9.9614 10.1614 10.5074 10.7738 10.9047 11.0262 11.3709 11.9685 12.2464 14.3312 14.4262 14.7854 14.9734 15.0322 15.1391 15.9572 16.0405 17.6028 18.0407 k = 0.2618 0.1511 0.4275 ( 2373 PWs) bands (ev): -47.8261 -47.8260 -22.2273 -22.2260 -14.6049 -14.6022 -14.5937 -14.5927 -7.7799 -7.7763 -7.7624 -7.7534 -6.7664 -6.7616 -6.7377 -6.7373 -6.7329 -6.7233 5.7403 5.8393 8.6672 8.6954 9.2654 9.3908 9.6548 9.9770 10.1605 10.5201 10.7818 10.9045 11.0255 11.3526 11.9895 12.2540 14.3083 14.4110 14.8812 15.0026 15.1477 15.1831 15.9838 16.0614 17.6464 18.0859 k = 0.2547 0.1471 0.4160 ( 2385 PWs) bands (ev): -47.8262 -47.8260 -22.2273 -22.2261 -14.6047 -14.6023 -14.5936 -14.5927 -7.7792 -7.7758 -7.7625 -7.7528 -6.7663 -6.7616 -6.7372 -6.7371 -6.7329 -6.7230 5.6831 5.7736 8.6805 8.7198 9.2530 9.3876 9.6702 9.9947 10.1596 10.5328 10.7897 10.9030 11.0260 11.3345 12.0075 12.2578 14.2735 14.3805 14.9779 15.0355 15.2462 15.2746 16.0117 16.0826 17.6966 18.1365 k = 0.2476 0.1430 0.4044 ( 2385 PWs) bands (ev): -47.8262 -47.8260 -22.2273 -22.2261 -14.6044 -14.6022 -14.5934 -14.5927 -7.7785 -7.7753 -7.7626 -7.7523 -6.7662 -6.7617 -6.7370 -6.7366 -6.7329 -6.7227 5.6225 5.7048 8.7003 8.7497 9.2425 9.3849 9.6868 10.0140 10.1588 10.5452 10.7976 10.9002 11.0277 11.3168 12.0228 12.2582 14.2288 14.3384 15.0695 15.0752 15.3303 15.4069 16.0404 16.1049 17.7532 18.1925 k = 0.2406 0.1389 0.3928 ( 2385 PWs) bands (ev): -47.8262 -47.8261 -22.2272 -22.2261 -14.6041 -14.6022 -14.5932 -14.5926 -7.7777 -7.7747 -7.7627 -7.7518 -6.7660 -6.7618 -6.7369 -6.7360 -6.7329 -6.7224 5.5590 5.6335 8.7264 8.7843 9.2341 9.3831 9.7047 10.0343 10.1580 10.5572 10.8054 10.8966 11.0305 11.2994 12.0357 12.2555 14.1763 14.2876 15.1206 15.1528 15.4358 15.5427 16.0701 16.1292 17.8164 18.2534 k = 0.2335 0.1348 0.3813 ( 2389 PWs) bands (ev): -47.8262 -47.8261 -22.2272 -22.2261 -14.6039 -14.6021 -14.5931 -14.5926 -7.7769 -7.7742 -7.7628 -7.7513 -6.7659 -6.7618 -6.7368 -6.7355 -6.7329 -6.7221 5.4929 5.5601 8.7582 8.8229 9.2279 9.3823 9.7239 10.0553 10.1574 10.5687 10.8132 10.8923 11.0342 11.2824 12.0463 12.2501 14.1176 14.2302 15.1705 15.2285 15.5595 15.6792 16.1005 16.1580 17.8859 18.3185 k = 0.2264 0.1307 0.3697 ( 2385 PWs) bands (ev): -47.8262 -47.8261 -22.2271 -22.2261 -14.6035 -14.6019 -14.5929 -14.5925 -7.7760 -7.7736 -7.7628 -7.7509 -6.7658 -6.7619 -6.7366 -6.7349 -6.7329 -6.7218 5.4249 5.4851 8.7953 8.8647 9.2241 9.3828 9.7449 10.0765 10.1571 10.5795 10.8209 10.8876 11.0388 11.2659 12.0549 12.2425 14.0539 14.1677 15.2239 15.2993 15.6967 15.8115 16.1319 16.1956 17.9613 18.3855 k = 0.2193 0.1266 0.3582 ( 2385 PWs) bands (ev): -47.8262 -47.8261 -22.2270 -22.2260 -14.6032 -14.6018 -14.5927 -14.5924 -7.7751 -7.7730 -7.7629 -7.7505 -6.7656 -6.7620 -6.7365 -6.7344 -6.7328 -6.7216 5.3553 5.4092 8.8371 8.9088 9.2229 9.3849 9.7680 10.0974 10.1573 10.5896 10.8284 10.8828 11.0442 11.2498 12.0618 12.2329 13.9863 14.1011 15.2800 15.3675 15.8430 15.9300 16.1651 16.2515 18.0421 18.4495 k = 0.2123 0.1226 0.3466 ( 2393 PWs) bands (ev): -47.8263 -47.8262 -22.2270 -22.2261 -14.6029 -14.6016 -14.5927 -14.5924 -7.7742 -7.7724 -7.7629 -7.7502 -6.7655 -6.7620 -6.7363 -6.7338 -6.7328 -6.7213 5.2846 5.3326 8.8830 8.9541 9.2245 9.3887 9.7936 10.1172 10.1586 10.5988 10.8357 10.8780 11.0502 11.2344 12.0673 12.2220 13.9153 14.0314 15.3382 15.4344 15.9931 16.0216 16.2029 16.3382 18.1274 18.4970 k = 0.2052 0.1185 0.3351 ( 2393 PWs) bands (ev): -47.8263 -47.8262 -22.2269 -22.2261 -14.6025 -14.6014 -14.5926 -14.5924 -7.7732 -7.7717 -7.7629 -7.7499 -6.7653 -6.7621 -6.7361 -6.7333 -6.7327 -6.7211 5.2132 5.2558 8.9324 8.9993 9.2293 9.3945 9.8224 10.1340 10.1628 10.6071 10.8426 10.8734 11.0570 11.2196 12.0717 12.2099 13.8418 13.9592 15.3982 15.5008 16.0833 16.1310 16.2598 16.4580 18.2153 18.4984 k = 0.1981 0.1144 0.3235 ( 2383 PWs) bands (ev): -47.8263 -47.8262 -22.2267 -22.2260 -14.6020 -14.6011 -14.5924 -14.5922 -7.7723 -7.7711 -7.7628 -7.7496 -6.7652 -6.7622 -6.7359 -6.7328 -6.7326 -6.7209 5.1415 5.1792 8.9846 9.0428 9.2380 9.4025 9.8549 10.1441 10.1733 10.6144 10.8491 10.8692 11.0644 11.2057 12.0752 12.1972 13.7662 13.8851 15.4596 15.5668 16.1255 16.2141 16.3773 16.5997 18.3011 18.4326 k = 0.1910 0.1103 0.3120 ( 2391 PWs) bands (ev): -47.8263 -47.8262 -22.2267 -22.2260 -14.6017 -14.6009 -14.5924 -14.5923 -7.7712 -7.7704 -7.7628 -7.7493 -6.7651 -6.7623 -6.7357 -6.7325 -6.7323 -6.7207 5.0699 5.1031 9.0388 9.0831 9.2510 9.4128 9.8917 10.1485 10.1892 10.6208 10.8548 10.8655 11.0726 11.1926 12.0780 12.1842 13.6889 13.8094 15.5222 15.6327 16.1580 16.2584 16.5385 16.7517 18.3231 18.3694 k = 0.1840 0.1062 0.3004 ( 2391 PWs) bands (ev): -47.8263 -47.8263 -22.2267 -22.2260 -14.6013 -14.6006 -14.5924 -14.5922 -7.7702 -7.7697 -7.7627 -7.7491 -6.7649 -6.7623 -6.7355 -6.7324 -6.7318 -6.7205 4.9987 5.0278 9.0939 9.1186 9.2691 9.4259 9.9336 10.1512 10.2064 10.6261 10.8597 10.8625 11.0816 11.1805 12.0805 12.1712 13.6104 13.7326 15.5856 15.6985 16.1863 16.2939 16.7127 16.9063 18.1949 18.3752 k = 0.1769 0.1021 0.2889 ( 2391 PWs) bands (ev): -47.8264 -47.8263 -22.2266 -22.2260 -14.6009 -14.6003 -14.5923 -14.5922 -7.7692 -7.7690 -7.7626 -7.7490 -6.7648 -6.7624 -6.7353 -6.7322 -6.7313 -6.7204 4.9282 4.9537 9.1488 9.1489 9.2919 9.4421 9.9809 10.1538 10.2235 10.6306 10.8601 10.8636 11.0915 11.1694 12.0828 12.1585 13.5309 13.6552 15.6499 15.7643 16.2127 16.3270 16.8926 17.0565 18.0586 18.3061 k = 0.1698 0.0980 0.2773 ( 2391 PWs) bands (ev): -47.8264 -47.8263 -22.2265 -22.2260 -14.6004 -14.5999 -14.5923 -14.5922 -7.7683 -7.7682 -7.7625 -7.7488 -6.7646 -6.7625 -6.7351 -6.7321 -6.7308 -6.7203 4.8587 4.8809 9.1743 9.2025 9.3181 9.4620 10.0339 10.1571 10.2399 10.6344 10.8584 10.8664 11.1026 11.1595 12.0851 12.1465 13.4509 13.5773 15.7148 15.8300 16.2386 16.3591 17.0755 17.1926 17.9189 18.2190 k = 0.1627 0.0940 0.2657 ( 2391 PWs) bands (ev): -47.8264 -47.8263 -22.2264 -22.2259 -14.6000 -14.5996 -14.5923 -14.5922 -7.7676 -7.7672 -7.7623 -7.7487 -6.7645 -6.7626 -6.7348 -6.7319 -6.7304 -6.7202 4.7905 4.8097 9.1965 9.2532 9.3459 9.4861 10.0926 10.1614 10.2554 10.6376 10.8573 10.8682 11.1152 11.1509 12.0876 12.1352 13.3706 13.4994 15.7801 15.8954 16.2645 16.3909 17.2578 17.2979 17.7798 18.1528 k = 0.1557 0.0899 0.2542 ( 2379 PWs) bands (ev): -47.8264 -47.8264 -22.2262 -22.2258 -14.5995 -14.5991 -14.5922 -14.5921 -7.7668 -7.7661 -7.7621 -7.7487 -6.7644 -6.7626 -6.7346 -6.7317 -6.7299 -6.7201 4.7238 4.7404 9.2169 9.2997 9.3734 9.5147 10.1563 10.1671 10.2700 10.6406 10.8566 10.8687 11.1297 11.1434 12.0902 12.1250 13.2905 13.4218 15.8456 15.9606 16.2908 16.4225 17.3485 17.4238 17.6573 18.1373 k = 0.1486 0.0858 0.2426 ( 2379 PWs) bands (ev): -47.8264 -47.8264 -22.2261 -22.2257 -14.5990 -14.5987 -14.5922 -14.5921 -7.7661 -7.7651 -7.7619 -7.7487 -6.7643 -6.7627 -6.7343 -6.7314 -6.7295 -6.7201 4.6587 4.6730 9.2367 9.3412 9.3997 9.5474 10.1747 10.2241 10.2836 10.6439 10.8563 10.8682 11.1374 11.1467 12.0933 12.1159 13.2107 13.3446 15.9114 16.0255 16.3174 16.4538 17.3299 17.4355 17.6889 18.1876 k = 0.1415 0.0817 0.2311 ( 2383 PWs) bands (ev): -47.8264 -47.8264 -22.2261 -22.2257 -14.5986 -14.5984 -14.5923 -14.5921 -7.7653 -7.7642 -7.7617 -7.7487 -6.7642 -6.7628 -6.7340 -6.7312 -6.7291 -6.7201 4.5957 4.6078 9.2565 9.3778 9.4241 9.5831 10.1845 10.2942 10.2965 10.6486 10.8559 10.8666 11.1331 11.1667 12.0966 12.1081 13.1317 13.2684 15.9771 16.0898 16.3443 16.4847 17.2557 17.3077 17.8592 18.2901 k = 0.1344 0.0776 0.2195 ( 2391 PWs) bands (ev): -47.8265 -47.8264 -22.2261 -22.2258 -14.5983 -14.5981 -14.5923 -14.5922 -7.7645 -7.7632 -7.7615 -7.7487 -6.7641 -6.7628 -6.7337 -6.7309 -6.7287 -6.7201 4.5347 4.5450 9.2768 9.4101 9.4466 9.6197 10.1971 10.3087 10.3637 10.6563 10.8551 10.8640 11.1308 11.1905 12.1004 12.1015 13.0538 13.1932 16.0426 16.1535 16.3707 16.5147 17.1495 17.1649 18.0435 18.4204 k = 0.1274 0.0735 0.2080 ( 2383 PWs) bands (ev): -47.8265 -47.8265 -22.2259 -22.2257 -14.5978 -14.5976 -14.5923 -14.5921 -7.7638 -7.7623 -7.7612 -7.7488 -6.7640 -6.7629 -6.7334 -6.7307 -6.7283 -6.7202 4.4760 4.4847 9.2977 9.4394 9.4672 9.6550 10.2127 10.3204 10.4281 10.6703 10.8535 10.8606 11.1313 11.2188 12.0963 12.1045 12.9773 13.1196 16.1078 16.2165 16.3957 16.5429 17.0206 17.0280 18.2280 18.5614 k = 0.1203 0.0694 0.1964 ( 2385 PWs) bands (ev): -47.8265 -47.8265 -22.2259 -22.2257 -14.5974 -14.5973 -14.5924 -14.5922 -7.7630 -7.7614 -7.7609 -7.7489 -6.7639 -6.7630 -6.7331 -6.7304 -6.7279 -6.7203 4.4197 4.4269 9.3193 9.4664 9.4863 9.6871 10.2314 10.3318 10.4807 10.6948 10.8509 10.8565 11.1362 11.2521 12.0924 12.1090 12.9027 13.0476 16.1723 16.2785 16.4165 16.5657 16.8802 16.9018 18.4087 18.7030 k = 0.1132 0.0654 0.1849 ( 2389 PWs) bands (ev): -47.8265 -47.8265 -22.2259 -22.2257 -14.5970 -14.5969 -14.5924 -14.5922 -7.7623 -7.7606 -7.7605 -7.7490 -6.7638 -6.7630 -6.7327 -6.7301 -6.7276 -6.7204 4.3659 4.3719 9.3416 9.4918 9.5038 9.7147 10.2532 10.3431 10.5164 10.7320 10.8468 10.8516 11.1477 11.2911 12.0897 12.1138 12.8303 12.9777 16.2359 16.3393 16.4262 16.5688 16.7590 16.7822 18.5828 18.8386 k = 0.1061 0.0613 0.1733 ( 2383 PWs) bands (ev): -47.8265 -47.8265 -22.2258 -22.2256 -14.5965 -14.5964 -14.5925 -14.5923 -7.7615 -7.7603 -7.7597 -7.7492 -6.7637 -6.7631 -6.7324 -6.7298 -6.7273 -6.7205 4.3149 4.3198 9.3645 9.5160 9.5203 9.7372 10.2776 10.3546 10.5364 10.7760 10.8412 10.8463 11.1695 11.3357 12.0884 12.1187 12.7605 12.9101 16.2977 16.3986 16.4073 16.5050 16.6899 16.7047 18.7471 18.9635 k = 0.0991 0.0572 0.1618 ( 2375 PWs) bands (ev): -47.8266 -47.8265 -22.2256 -22.2255 -14.5960 -14.5960 -14.5925 -14.5923 -7.7608 -7.7600 -7.7589 -7.7494 -6.7637 -6.7631 -6.7320 -6.7294 -6.7270 -6.7207 4.2666 4.2706 9.3880 9.5357 9.5392 9.7545 10.3040 10.3666 10.5466 10.8151 10.8339 10.8419 11.2055 11.3858 12.0884 12.1239 12.6940 12.8452 16.3251 16.3693 16.3803 16.4571 16.6492 16.7107 18.8980 19.0746 k = 0.0920 0.0531 0.1502 ( 2367 PWs) bands (ev): -47.8266 -47.8266 -22.2255 -22.2254 -14.5955 -14.5955 -14.5925 -14.5923 -7.7601 -7.7596 -7.7582 -7.7496 -6.7636 -6.7632 -6.7316 -6.7291 -6.7267 -6.7210 4.2213 4.2244 9.4120 9.5504 9.5613 9.7668 10.3316 10.3793 10.5514 10.8250 10.8279 10.8521 11.2578 11.4409 12.0898 12.1291 12.6311 12.7832 16.2179 16.2417 16.4234 16.5128 16.6497 16.7323 19.0320 19.1696 k = 0.0849 0.0490 0.1387 ( 2363 PWs) bands (ev): -47.8266 -47.8266 -22.2254 -22.2253 -14.5951 -14.5951 -14.5926 -14.5924 -7.7594 -7.7593 -7.7575 -7.7499 -6.7636 -6.7632 -6.7312 -6.7288 -6.7264 -6.7212 4.1789 4.1814 9.4362 9.5644 9.5823 9.7747 10.3595 10.3931 10.5537 10.8146 10.8217 10.8677 11.3248 11.4999 12.0928 12.1345 12.5724 12.7244 16.0888 16.1005 16.4812 16.5665 16.6679 16.7572 19.1459 19.2479 k = 0.0778 0.0449 0.1271 ( 2363 PWs) bands (ev): -47.8266 -47.8266 -22.2253 -22.2253 -14.5947 -14.5947 -14.5926 -14.5924 -7.7589 -7.7588 -7.7569 -7.7501 -6.7636 -6.7633 -6.7308 -6.7285 -6.7262 -6.7215 4.1396 4.1415 9.4604 9.5779 9.6019 9.7788 10.3869 10.4087 10.5549 10.8027 10.8133 10.8739 11.4021 11.5614 12.0979 12.1401 12.5186 12.6691 15.9546 15.9605 16.5372 16.6177 16.6927 16.7824 19.2382 19.3100 k = 0.0708 0.0409 0.1155 ( 2375 PWs) bands (ev): -47.8266 -47.8266 -22.2254 -22.2254 -14.5945 -14.5944 -14.5928 -14.5926 -7.7585 -7.7581 -7.7563 -7.7504 -6.7635 -6.7633 -6.7304 -6.7281 -6.7260 -6.7218 4.1035 4.1049 9.4846 9.5909 9.6201 9.7797 10.4121 10.4272 10.5558 10.7896 10.8037 10.8722 11.4845 11.6234 12.1057 12.1461 12.4704 12.6177 15.8205 15.8235 16.5910 16.6661 16.7200 16.8069 19.3091 19.3572 k = 0.0637 0.0368 0.1040 ( 2379 PWs) bands (ev): -47.8266 -47.8266 -22.2254 -22.2254 -14.5942 -14.5942 -14.5928 -14.5927 -7.7581 -7.7576 -7.7558 -7.7508 -6.7635 -6.7634 -6.7299 -6.7278 -6.7259 -6.7221 4.0706 4.0716 9.5086 9.6035 9.6366 9.7779 10.4340 10.4498 10.5570 10.7755 10.7931 10.8648 11.5676 11.6836 12.1172 12.1530 12.4283 12.5702 15.6895 15.6910 16.6419 16.7112 16.7478 16.8298 19.3608 19.3915 k = 0.0566 0.0327 0.0924 ( 2383 PWs) bands (ev): -47.8267 -47.8267 -22.2254 -22.2254 -14.5940 -14.5940 -14.5929 -14.5927 -7.7577 -7.7570 -7.7554 -7.7511 -6.7635 -6.7634 -6.7295 -6.7275 -6.7257 -6.7224 4.0410 4.0417 9.5321 9.6157 9.6513 9.7738 10.4545 10.4746 10.5589 10.7606 10.7816 10.8529 11.6471 11.7389 12.1338 12.1618 12.3929 12.5269 15.5636 15.5643 16.6895 16.7527 16.7751 16.8507 19.3965 19.4151 k = 0.0495 0.0286 0.0809 ( 2387 PWs) bands (ev): -47.8267 -47.8267 -22.2255 -22.2254 -14.5938 -14.5937 -14.5930 -14.5928 -7.7573 -7.7565 -7.7550 -7.7514 -6.7635 -6.7634 -6.7290 -6.7272 -6.7256 -6.7228 4.0148 4.0153 9.5549 9.6275 9.6638 9.7677 10.4754 10.4996 10.5617 10.7451 10.7692 10.8376 11.7192 11.7865 12.1565 12.1740 12.3647 12.4880 15.4448 15.4451 16.7335 16.7901 16.8012 16.8692 19.4196 19.4303 k = 0.0425 0.0245 0.0693 ( 2389 PWs) bands (ev): -47.8267 -47.8267 -22.2255 -22.2254 -14.5935 -14.5935 -14.5931 -14.5929 -7.7568 -7.7560 -7.7547 -7.7518 -6.7635 -6.7634 -6.7286 -6.7270 -6.7256 -6.7232 3.9919 3.9922 9.5770 9.6388 9.6741 9.7600 10.4973 10.5241 10.5656 10.7295 10.7559 10.8195 11.7799 11.8243 12.1856 12.1913 12.3435 12.4534 15.3350 15.3352 16.7735 16.8231 16.8255 16.8851 19.4333 19.4391 k = 0.0354 0.0204 0.0578 ( 2401 PWs) bands (ev): -47.8267 -47.8267 -22.2256 -22.2256 -14.5935 -14.5934 -14.5932 -14.5931 -7.7564 -7.7556 -7.7545 -7.7522 -6.7635 -6.7634 -6.7281 -6.7267 -6.7255 -6.7236 3.9725 3.9727 9.5981 9.6495 9.6821 9.7509 10.5200 10.5482 10.5706 10.7140 10.7418 10.7989 11.8263 11.8519 12.2150 12.2193 12.3289 12.4230 15.2364 15.2365 16.8089 16.8476 16.8512 16.8981 19.4405 19.4435 k = 0.0283 0.0163 0.0462 ( 2409 PWs) bands (ev): -47.8267 -47.8267 -22.2256 -22.2256 -14.5934 -14.5934 -14.5932 -14.5931 -7.7560 -7.7552 -7.7543 -7.7526 -6.7635 -6.7635 -6.7277 -6.7265 -6.7255 -6.7240 3.9566 3.9567 9.6182 9.6594 9.6878 9.7405 10.5428 10.5720 10.5768 10.6992 10.7271 10.7762 11.8583 11.8707 12.2439 12.2542 12.3203 12.3969 15.1512 15.1513 16.8395 16.8671 16.8741 16.9078 19.4436 19.4449 k = 0.0212 0.0123 0.0347 ( 2415 PWs) bands (ev): -47.8267 -47.8267 -22.2257 -22.2257 -14.5934 -14.5933 -14.5932 -14.5932 -7.7556 -7.7549 -7.7542 -7.7530 -6.7635 -6.7635 -6.7272 -6.7263 -6.7255 -6.7244 3.9442 3.9442 9.6373 9.6685 9.6911 9.7289 10.5646 10.5838 10.5960 10.6858 10.7121 10.7519 11.8779 11.8827 12.2744 12.2863 12.3167 12.3748 15.0817 15.0817 16.8650 16.8835 16.8916 16.9141 19.4441 19.4446 k = 0.0142 0.0082 0.0231 ( 2417 PWs) bands (ev): -47.8267 -47.8267 -22.2257 -22.2257 -14.5933 -14.5933 -14.5933 -14.5932 -7.7551 -7.7546 -7.7541 -7.7534 -6.7635 -6.7635 -6.7267 -6.7261 -6.7256 -6.7249 3.9353 3.9353 9.6552 9.6764 9.6922 9.7163 10.5835 10.5912 10.6208 10.6753 10.6971 10.7263 11.8886 11.8900 12.3016 12.3114 12.3176 12.3564 15.0301 15.0301 16.8852 16.8965 16.9034 16.9167 19.4436 19.4438 k = 0.0071 0.0041 0.0116 ( 2421 PWs) bands (ev): -47.8267 -47.8267 -22.2258 -22.2258 -14.5933 -14.5933 -14.5933 -14.5932 -7.7547 -7.7544 -7.7542 -7.7538 -6.7635 -6.7635 -6.7262 -6.7259 -6.7257 -6.7253 3.9299 3.9299 9.6721 9.6829 9.6910 9.7026 10.5965 10.5977 10.6465 10.6701 10.6833 10.6998 11.8937 11.8939 12.3207 12.3226 12.3266 12.3415 14.9982 14.9982 16.9001 16.9056 16.9095 16.9155 19.4430 19.4430 k = 0.0000 0.0000 0.0000 ( 2421 PWs) bands (ev): -47.8267 -47.8267 -22.2258 -22.2258 -14.5933 -14.5933 -14.5933 -14.5933 -7.7542 -7.7542 -7.7542 -7.7542 -6.7635 -6.7635 -6.7258 -6.7258 -6.7258 -6.7258 3.9281 3.9281 9.6879 9.6879 9.6879 9.6879 10.6008 10.6008 10.6731 10.6731 10.6731 10.6731 11.8951 11.8951 12.3300 12.3300 12.3300 12.3300 14.9875 14.9875 16.9101 16.9101 16.9101 16.9101 19.4427 19.4427 k = 0.0000 0.0000 0.0000 ( 2421 PWs) bands (ev): -47.8267 -47.8267 -22.2258 -22.2258 -14.5933 -14.5933 -14.5933 -14.5933 -7.7542 -7.7542 -7.7542 -7.7542 -6.7635 -6.7635 -6.7258 -6.7258 -6.7258 -6.7258 3.9281 3.9281 9.6879 9.6879 9.6879 9.6879 10.6008 10.6008 10.6731 10.6731 10.6731 10.6731 11.8951 11.8951 12.3300 12.3300 12.3300 12.3300 14.9875 14.9875 16.9101 16.9101 16.9101 16.9101 19.4427 19.4427 k = 0.0114 0.0066 0.0046 ( 2421 PWs) bands (ev): -47.8267 -47.8267 -22.2258 -22.2258 -14.5933 -14.5933 -14.5933 -14.5932 -7.7547 -7.7543 -7.7543 -7.7538 -6.7635 -6.7635 -6.7262 -6.7258 -6.7258 -6.7253 3.9299 3.9299 9.6719 9.6870 9.6870 9.7029 10.5973 10.5973 10.6457 10.6768 10.6768 10.7001 11.8938 11.8938 12.3221 12.3238 12.3238 12.3421 14.9979 14.9979 16.9001 16.9076 16.9076 16.9156 19.4430 19.4430 k = 0.0227 0.0131 0.0093 ( 2418 PWs) bands (ev): -47.8267 -47.8267 -22.2257 -22.2257 -14.5933 -14.5933 -14.5933 -14.5932 -7.7551 -7.7544 -7.7544 -7.7534 -6.7635 -6.7635 -6.7267 -6.7258 -6.7258 -6.7248 3.9350 3.9350 9.6551 9.6843 9.6843 9.7168 10.5884 10.5884 10.6184 10.6862 10.6862 10.7265 11.8893 11.8893 12.3059 12.3059 12.3184 12.3582 15.0287 15.0287 16.8860 16.9002 16.9002 16.9168 19.4437 19.4437 k = 0.0341 0.0197 0.0139 ( 2418 PWs) bands (ev): -47.8267 -47.8267 -22.2257 -22.2257 -14.5934 -14.5934 -14.5933 -14.5932 -7.7556 -7.7545 -7.7545 -7.7529 -6.7635 -6.7635 -6.7272 -6.7259 -6.7259 -6.7244 3.9437 3.9437 9.6377 9.6798 9.6798 9.7294 10.5767 10.5767 10.5914 10.6986 10.6986 10.7520 11.8798 11.8798 12.2797 12.2797 12.3191 12.3781 15.0785 15.0785 16.8677 16.8879 16.8879 16.9136 19.4443 19.4443 k = 0.0455 0.0262 0.0186 ( 2406 PWs) bands (ev): -47.8267 -47.8267 -22.2256 -22.2256 -14.5934 -14.5934 -14.5932 -14.5931 -7.7560 -7.7548 -7.7548 -7.7525 -6.7635 -6.7635 -6.7277 -6.7260 -6.7260 -6.7239 3.9557 3.9557 9.6197 9.6738 9.6738 9.7407 10.5638 10.5638 10.5650 10.7124 10.7124 10.7763 11.8621 11.8621 12.2500 12.2500 12.3243 12.4017 15.1455 15.1455 16.8456 16.8711 16.8711 16.9060 19.4442 19.4442 k = 0.0568 0.0328 0.0232 ( 2394 PWs) bands (ev): -47.8267 -47.8267 -22.2255 -22.2255 -14.5934 -14.5934 -14.5931 -14.5930 -7.7564 -7.7551 -7.7551 -7.7521 -6.7635 -6.7635 -6.7281 -6.7261 -6.7261 -6.7235 3.9712 3.9712 9.6014 9.6662 9.6662 9.7503 10.5395 10.5505 10.5505 10.7265 10.7265 10.7992 11.8319 11.8319 12.2235 12.2235 12.3342 12.4288 15.2275 15.2275 16.8200 16.8501 16.8501 16.8944 19.4422 19.4422 k = 0.0682 0.0394 0.0278 ( 2388 PWs) bands (ev): -47.8267 -47.8267 -22.2254 -22.2254 -14.5935 -14.5935 -14.5930 -14.5929 -7.7568 -7.7554 -7.7554 -7.7517 -6.7635 -6.7635 -6.7286 -6.7263 -6.7263 -6.7231 3.9900 3.9900 9.5828 9.6572 9.6572 9.7583 10.5150 10.5372 10.5372 10.7403 10.7403 10.8204 11.7857 11.7857 12.2057 12.2057 12.3487 12.4594 15.3221 15.3221 16.7912 16.8251 16.8251 16.8788 19.4371 19.4371 k = 0.0795 0.0459 0.0325 ( 2385 PWs) bands (ev): -47.8267 -47.8267 -22.2254 -22.2254 -14.5937 -14.5937 -14.5930 -14.5928 -7.7572 -7.7558 -7.7558 -7.7513 -6.7635 -6.7635 -6.7290 -6.7265 -6.7265 -6.7227 4.0122 4.0122 9.5641 9.6470 9.6470 9.7644 10.4920 10.5239 10.5239 10.7535 10.7535 10.8396 11.7227 11.7227 12.1998 12.1998 12.3678 12.4932 15.4270 15.4270 16.7596 16.7966 16.7966 16.8596 19.4274 19.4274 k = 0.0909 0.0525 0.0371 ( 2376 PWs) bands (ev): -47.8266 -47.8266 -22.2254 -22.2254 -14.5939 -14.5939 -14.5928 -14.5926 -7.7576 -7.7563 -7.7563 -7.7509 -6.7634 -6.7634 -6.7295 -6.7267 -6.7267 -6.7223 4.0377 4.0377 9.5455 9.6357 9.6357 9.7686 10.4704 10.5108 10.5108 10.7655 10.7655 10.8568 11.6452 11.6452 12.2053 12.2053 12.3917 12.5301 15.5403 15.5403 16.7254 16.7650 16.7650 16.8371 19.4113 19.4113 k = 0.1023 0.0590 0.0418 ( 2376 PWs) bands (ev): -47.8266 -47.8266 -22.2254 -22.2254 -14.5942 -14.5942 -14.5928 -14.5926 -7.7579 -7.7568 -7.7568 -7.7506 -6.7634 -6.7634 -6.7299 -6.7269 -6.7269 -6.7220 4.0664 4.0664 9.5269 9.6236 9.6236 9.7709 10.4506 10.4978 10.4978 10.7760 10.7760 10.8718 11.5569 11.5569 12.2204 12.2204 12.4202 12.5701 15.6599 15.6599 16.6892 16.7308 16.7308 16.8116 19.3867 19.3867 k = 0.1136 0.0656 0.0464 ( 2376 PWs) bands (ev): -47.8266 -47.8266 -22.2254 -22.2254 -14.5945 -14.5945 -14.5927 -14.5925 -7.7583 -7.7574 -7.7574 -7.7502 -6.7634 -6.7634 -6.7303 -6.7271 -6.7271 -6.7216 4.0984 4.0984 9.5086 9.6107 9.6107 9.7711 10.4326 10.4848 10.4848 10.7845 10.7845 10.8846 11.4613 11.4613 12.2434 12.2434 12.4532 12.6128 15.7842 15.7842 16.6513 16.6944 16.6944 16.7836 19.3512 19.3512 k = 0.1250 0.0722 0.0510 ( 2370 PWs) bands (ev): -47.8266 -47.8266 -22.2254 -22.2254 -14.5948 -14.5948 -14.5927 -14.5924 -7.7586 -7.7580 -7.7580 -7.7499 -6.7634 -6.7634 -6.7307 -6.7274 -6.7274 -6.7213 4.1336 4.1336 9.4906 9.5974 9.5974 9.7694 10.4164 10.4716 10.4716 10.7903 10.7903 10.8950 11.3616 11.3616 12.2728 12.2728 12.4906 12.6583 15.9116 15.9116 16.6120 16.6562 16.6562 16.7533 19.3016 19.3016 k = 0.1364 0.0787 0.0557 ( 2379 PWs) bands (ev): -47.8266 -47.8266 -22.2255 -22.2255 -14.5952 -14.5952 -14.5926 -14.5924 -7.7589 -7.7586 -7.7586 -7.7496 -6.7634 -6.7634 -6.7310 -6.7277 -6.7277 -6.7211 4.1719 4.1719 9.4730 9.5836 9.5836 9.7657 10.4021 10.4580 10.4580 10.7922 10.7922 10.9032 11.2609 11.2609 12.3077 12.3077 12.5322 12.7064 16.0406 16.0406 16.5717 16.6167 16.6167 16.7212 19.2347 19.2347 k = 0.1477 0.0853 0.0603 ( 2385 PWs) bands (ev): -47.8266 -47.8266 -22.2256 -22.2256 -14.5957 -14.5957 -14.5926 -14.5923 -7.7593 -7.7593 -7.7591 -7.7493 -6.7634 -6.7634 -6.7314 -6.7280 -6.7280 -6.7208 4.2131 4.2131 9.4560 9.5697 9.5697 9.7602 10.3897 10.4435 10.4435 10.7882 10.7882 10.9092 11.1633 11.1633 12.3473 12.3473 12.5777 12.7569 16.1695 16.1695 16.5309 16.5766 16.5766 16.6876 19.1478 19.1478 k = 0.1591 0.0919 0.0649 ( 2379 PWs) bands (ev): -47.8266 -47.8266 -22.2256 -22.2256 -14.5960 -14.5960 -14.5925 -14.5922 -7.7601 -7.7601 -7.7594 -7.7491 -6.7634 -6.7634 -6.7317 -6.7283 -6.7283 -6.7206 4.2574 4.2574 9.4395 9.5556 9.5556 9.7530 10.3792 10.4273 10.4273 10.7742 10.7742 10.9130 11.0745 11.0745 12.3912 12.3912 12.6269 12.8096 16.2962 16.2962 16.4898 16.5370 16.5370 16.6529 19.0395 19.0395 k = 0.1705 0.0984 0.0696 ( 2385 PWs) bands (ev): -47.8265 -47.8265 -22.2257 -22.2257 -14.5965 -14.5965 -14.5924 -14.5921 -7.7609 -7.7609 -7.7596 -7.7488 -6.7634 -6.7634 -6.7320 -6.7286 -6.7286 -6.7204 4.3045 4.3045 9.4237 9.5415 9.5415 9.7442 10.3702 10.4079 10.4079 10.7439 10.7439 10.9147 11.0031 11.0031 12.4389 12.4389 12.6795 12.8645 16.4122 16.4122 16.4488 16.5055 16.5055 16.6175 18.9111 18.9111 k = 0.1818 0.1050 0.0742 ( 2379 PWs) bands (ev): -47.8265 -47.8265 -22.2257 -22.2257 -14.5969 -14.5969 -14.5922 -14.5919 -7.7617 -7.7617 -7.7598 -7.7486 -6.7634 -6.7634 -6.7322 -6.7289 -6.7289 -6.7202 4.3544 4.3544 9.4086 9.5275 9.5275 9.7341 10.3629 10.3829 10.3829 10.6937 10.6937 10.9145 10.9559 10.9559 12.4900 12.4900 12.7353 12.9212 16.4082 16.4365 16.4365 16.5622 16.5622 16.5818 18.7655 18.7655 k = 0.1932 0.1115 0.0789 ( 2382 PWs) bands (ev): -47.8265 -47.8265 -22.2257 -22.2257 -14.5974 -14.5974 -14.5921 -14.5918 -7.7625 -7.7625 -7.7600 -7.7485 -6.7634 -6.7634 -6.7324 -6.7292 -6.7292 -6.7201 4.4070 4.4070 9.3944 9.5135 9.5135 9.7228 10.3476 10.3476 10.3570 10.6323 10.6323 10.9124 10.9294 10.9294 12.5444 12.5444 12.7940 12.9797 16.3683 16.4004 16.4004 16.5461 16.6747 16.6747 18.6070 18.6070 k = 0.2045 0.1181 0.0835 ( 2385 PWs) bands (ev): -47.8265 -47.8265 -22.2258 -22.2258 -14.5979 -14.5979 -14.5921 -14.5917 -7.7633 -7.7633 -7.7601 -7.7483 -6.7635 -6.7635 -6.7326 -6.7296 -6.7296 -6.7200 4.4622 4.4622 9.3809 9.4997 9.4997 9.7106 10.2965 10.2965 10.3524 10.5744 10.5744 10.9086 10.9151 10.9151 12.6016 12.6016 12.8551 13.0397 16.3294 16.3602 16.3602 16.5106 16.7858 16.7858 18.4395 18.4395 k = 0.2159 0.1247 0.0881 ( 2397 PWs) bands (ev): -47.8265 -47.8265 -22.2260 -22.2260 -14.5985 -14.5985 -14.5920 -14.5917 -7.7642 -7.7642 -7.7602 -7.7482 -6.7635 -6.7635 -6.7328 -6.7299 -6.7299 -6.7199 4.5198 4.5198 9.3684 9.4860 9.4860 9.6976 10.2265 10.2265 10.3490 10.5299 10.5299 10.9031 10.9066 10.9066 12.6615 12.6615 12.9185 13.1011 16.2918 16.3197 16.3197 16.4758 16.8909 16.8909 18.2667 18.2667 k = 0.2273 0.1312 0.0928 ( 2397 PWs) bands (ev): -47.8265 -47.8265 -22.2260 -22.2260 -14.5989 -14.5989 -14.5919 -14.5916 -7.7651 -7.7651 -7.7603 -7.7481 -6.7635 -6.7635 -6.7329 -6.7302 -6.7302 -6.7199 4.5798 4.5798 9.3567 9.4721 9.4721 9.6840 10.1410 10.1410 10.3466 10.4989 10.4989 10.8961 10.9011 10.9011 12.7238 12.7238 12.9837 13.1635 16.2557 16.2796 16.2796 16.4419 16.9881 16.9881 18.0917 18.0917 k = 0.2386 0.1378 0.0974 ( 2397 PWs) bands (ev): -47.8264 -47.8264 -22.2261 -22.2261 -14.5994 -14.5994 -14.5918 -14.5915 -7.7660 -7.7660 -7.7603 -7.7481 -6.7635 -6.7635 -6.7330 -6.7305 -6.7305 -6.7199 4.6419 4.6419 9.3461 9.4578 9.4578 9.6699 10.0462 10.0462 10.3452 10.4775 10.4775 10.8878 10.8969 10.8969 12.7881 12.7881 13.0505 13.2269 16.2214 16.2402 16.2402 16.4091 17.0756 17.0756 17.9174 17.9174 k = 0.2500 0.1443 0.1021 ( 2385 PWs) bands (ev): -47.8264 -47.8264 -22.2260 -22.2260 -14.5998 -14.5998 -14.5917 -14.5913 -7.7669 -7.7669 -7.7603 -7.7481 -6.7636 -6.7636 -6.7331 -6.7309 -6.7309 -6.7199 4.7061 4.7061 9.3364 9.4426 9.4426 9.6555 9.9475 9.9475 10.3446 10.4619 10.4619 10.8781 10.8935 10.8935 12.8543 12.8543 13.1186 13.2908 16.1892 16.2019 16.2019 16.3779 17.1506 17.1506 17.7479 17.7479 k = 0.2614 0.1509 0.1067 ( 2382 PWs) bands (ev): -47.8264 -47.8264 -22.2260 -22.2260 -14.6002 -14.6002 -14.5916 -14.5912 -7.7678 -7.7678 -7.7603 -7.7481 -6.7636 -6.7636 -6.7331 -6.7312 -6.7312 -6.7200 4.7721 4.7721 9.3278 9.4253 9.4253 9.6409 9.8487 9.8487 10.3449 10.4500 10.4500 10.8672 10.8906 10.8906 12.9220 12.9220 13.1875 13.3550 16.1593 16.1647 16.1647 16.3484 17.2053 17.2053 17.5921 17.5921 k = 0.2727 0.1575 0.1113 ( 2388 PWs) bands (ev): -47.8264 -47.8264 -22.2261 -22.2261 -14.6007 -14.6007 -14.5915 -14.5911 -7.7687 -7.7687 -7.7603 -7.7481 -6.7637 -6.7637 -6.7331 -6.7315 -6.7315 -6.7201 4.8398 4.8398 9.3201 9.4040 9.4040 9.6262 9.7536 9.7536 10.3458 10.4403 10.4403 10.8552 10.8880 10.8880 12.9911 12.9911 13.2570 13.4193 16.1288 16.1288 16.1319 16.3208 17.2114 17.2114 17.4792 17.4792 k = 0.2841 0.1640 0.1160 ( 2373 PWs) bands (ev): -47.8263 -47.8263 -22.2260 -22.2260 -14.6011 -14.6011 -14.5912 -14.5909 -7.7695 -7.7695 -7.7602 -7.7482 -6.7637 -6.7637 -6.7331 -6.7318 -6.7318 -6.7202 4.9090 4.9090 9.3135 9.3751 9.3751 9.6115 9.6669 9.6669 10.3475 10.4322 10.4322 10.8423 10.8856 10.8856 13.0611 13.0611 13.3267 13.4833 16.0942 16.0942 16.1073 16.2955 17.1263 17.1263 17.4531 17.4531 k = 0.2955 0.1706 0.1206 ( 2385 PWs) bands (ev): -47.8263 -47.8263 -22.2262 -22.2262 -14.6017 -14.6017 -14.5912 -14.5909 -7.7704 -7.7704 -7.7601 -7.7483 -6.7638 -6.7638 -6.7330 -6.7321 -6.7321 -6.7204 4.9794 4.9794 9.3080 9.3327 9.3327 9.5950 9.5950 9.5967 10.3499 10.4251 10.4251 10.8284 10.8836 10.8836 13.1319 13.1319 13.3961 13.5466 16.0611 16.0611 16.0856 16.2726 16.9883 16.9883 17.4766 17.4766 k = 0.3068 0.1771 0.1253 ( 2385 PWs) bands (ev): -47.8263 -47.8263 -22.2263 -22.2263 -14.6022 -14.6022 -14.5911 -14.5908 -7.7712 -7.7712 -7.7599 -7.7484 -6.7638 -6.7638 -6.7329 -6.7324 -6.7324 -6.7206 5.0509 5.0509 9.2724 9.2724 9.3035 9.5429 9.5429 9.5821 10.3530 10.4189 10.4189 10.8136 10.8820 10.8820 13.2030 13.2030 13.4651 13.6091 16.0295 16.0295 16.0671 16.2523 16.8386 16.8386 17.5097 17.5097 k = 0.3182 0.1837 0.1299 ( 2382 PWs) bands (ev): -47.8263 -47.8263 -22.2263 -22.2263 -14.6026 -14.6026 -14.5910 -14.5906 -7.7721 -7.7721 -7.7598 -7.7486 -6.7639 -6.7639 -6.7328 -6.7326 -6.7326 -6.7208 5.1230 5.1230 9.1963 9.1963 9.3000 9.5090 9.5090 9.5676 10.3568 10.4132 10.4132 10.7982 10.8808 10.8808 13.2742 13.2742 13.5330 13.6701 15.9995 15.9995 16.0519 16.2348 16.6888 16.6888 17.5418 17.5418 k = 0.3295 0.1903 0.1345 ( 2382 PWs) bands (ev): -47.8263 -47.8263 -22.2263 -22.2263 -14.6030 -14.6030 -14.5909 -14.5905 -7.7729 -7.7729 -7.7596 -7.7488 -6.7639 -6.7639 -6.7329 -6.7329 -6.7326 -6.7211 5.1957 5.1957 9.1106 9.1106 9.2975 9.4874 9.4874 9.5532 10.3613 10.4079 10.4079 10.7821 10.8801 10.8801 13.3450 13.3450 13.5996 13.7295 15.9711 15.9711 16.0402 16.2202 16.5430 16.5430 17.5704 17.5704 k = 0.3409 0.1968 0.1392 ( 2382 PWs) bands (ev): -47.8262 -47.8262 -22.2263 -22.2263 -14.6034 -14.6034 -14.5908 -14.5905 -7.7736 -7.7736 -7.7593 -7.7490 -6.7640 -6.7640 -6.7331 -6.7331 -6.7325 -6.7214 5.2684 5.2684 9.0206 9.0206 9.2961 9.4731 9.4731 9.5391 10.3664 10.4029 10.4029 10.7654 10.8799 10.8799 13.4151 13.4151 13.6644 13.7868 15.9443 15.9443 16.0321 16.2086 16.4027 16.4027 17.5948 17.5948 k = 0.3523 0.2034 0.1438 ( 2382 PWs) bands (ev): -47.8262 -47.8262 -22.2264 -22.2264 -14.6038 -14.6038 -14.5907 -14.5904 -7.7743 -7.7743 -7.7591 -7.7493 -6.7641 -6.7641 -6.7333 -6.7333 -6.7322 -6.7217 5.3408 5.3408 8.9296 8.9296 9.2956 9.4631 9.4631 9.5251 10.3723 10.3982 10.3982 10.7482 10.8802 10.8802 13.4841 13.4841 13.7270 13.8415 15.9189 15.9189 16.0278 16.2000 16.2692 16.2692 17.6151 17.6151 k = 0.3636 0.2099 0.1485 ( 2400 PWs) bands (ev): -47.8262 -47.8262 -22.2266 -22.2266 -14.6043 -14.6043 -14.5907 -14.5905 -7.7750 -7.7750 -7.7588 -7.7496 -6.7641 -6.7641 -6.7335 -6.7335 -6.7320 -6.7220 5.4124 5.4124 8.8394 8.8394 9.2962 9.4559 9.4559 9.5112 10.3790 10.3936 10.3936 10.7306 10.8812 10.8812 13.5515 13.5515 13.7869 13.8934 15.8947 15.8947 16.0272 16.1435 16.1435 16.1943 17.6313 17.6313 k = 0.3750 0.2165 0.1531 ( 2400 PWs) bands (ev): -47.8262 -47.8262 -22.2267 -22.2267 -14.6047 -14.6047 -14.5907 -14.5904 -7.7757 -7.7757 -7.7585 -7.7499 -6.7642 -6.7642 -6.7337 -6.7337 -6.7317 -6.7224 5.4829 5.4829 8.7514 8.7514 9.2976 9.4506 9.4506 9.4977 10.3864 10.3892 10.3892 10.7128 10.8827 10.8827 13.6169 13.6169 13.8439 13.9420 15.8706 15.8706 16.0273 16.0273 16.0304 16.1914 17.6436 17.6436 k = 0.3864 0.2231 0.1577 ( 2403 PWs) bands (ev): -47.8262 -47.8262 -22.2267 -22.2267 -14.6050 -14.6050 -14.5906 -14.5903 -7.7763 -7.7763 -7.7582 -7.7502 -6.7643 -6.7643 -6.7339 -6.7339 -6.7314 -6.7228 5.5515 5.5515 8.6664 8.6664 9.3000 9.4467 9.4467 9.4843 10.3850 10.3850 10.3945 10.6947 10.8846 10.8846 13.6795 13.6795 13.8974 13.9871 15.8416 15.8416 15.9262 15.9262 16.0372 16.1912 17.6521 17.6521 k = 0.3977 0.2296 0.1624 ( 2397 PWs) bands (ev): -47.8262 -47.8262 -22.2267 -22.2267 -14.6052 -14.6052 -14.5905 -14.5903 -7.7768 -7.7768 -7.7579 -7.7505 -6.7643 -6.7643 -6.7340 -6.7340 -6.7310 -6.7232 5.6177 5.6177 8.5854 8.5854 9.3033 9.4438 9.4438 9.4712 10.3809 10.3809 10.4035 10.6764 10.8870 10.8870 13.7390 13.7390 13.9472 14.0282 15.7854 15.7854 15.8631 15.8631 16.0474 16.1931 17.6568 17.6568 k = 0.4091 0.2362 0.1670 ( 2398 PWs) bands (ev): -47.8262 -47.8262 -22.2267 -22.2267 -14.6055 -14.6055 -14.5904 -14.5902 -7.7773 -7.7773 -7.7575 -7.7509 -6.7644 -6.7644 -6.7342 -6.7342 -6.7307 -6.7236 5.6807 5.6807 8.5092 8.5092 9.3075 9.4417 9.4417 9.4583 10.3771 10.3771 10.4132 10.6581 10.8896 10.8896 13.7947 13.7947 13.9929 14.0650 15.7039 15.7039 15.8364 15.8364 16.0606 16.1967 17.6574 17.6574 k = 0.4205 0.2427 0.1716 ( 2383 PWs) bands (ev): -47.8261 -47.8261 -22.2266 -22.2266 -14.6056 -14.6056 -14.5903 -14.5901 -7.7778 -7.7778 -7.7571 -7.7513 -6.7644 -6.7644 -6.7343 -6.7343 -6.7303 -6.7240 5.7398 5.7398 8.4385 8.4385 9.3125 9.4402 9.4402 9.4457 10.3735 10.3735 10.4238 10.6398 10.8924 10.8924 13.8460 13.8460 14.0343 14.0975 15.6243 15.6243 15.8193 15.8193 16.0765 16.2013 17.6539 17.6539 k = 0.4318 0.2493 0.1763 ( 2383 PWs) bands (ev): -47.8261 -47.8261 -22.2266 -22.2266 -14.6058 -14.6058 -14.5902 -14.5900 -7.7782 -7.7782 -7.7567 -7.7516 -6.7645 -6.7645 -6.7344 -6.7344 -6.7299 -6.7244 5.7939 5.7939 8.3744 8.3744 9.3182 9.4334 9.4391 9.4391 10.3702 10.3702 10.4351 10.6216 10.8952 10.8952 13.8921 13.8921 14.0710 14.1252 15.5531 15.5531 15.8060 15.8060 16.0943 16.2063 17.6461 17.6461 k = 0.4432 0.2559 0.1809 ( 2383 PWs) bands (ev): -47.8261 -47.8261 -22.2266 -22.2266 -14.6060 -14.6060 -14.5901 -14.5900 -7.7785 -7.7785 -7.7563 -7.7520 -6.7645 -6.7645 -6.7345 -6.7345 -6.7295 -6.7249 5.8422 5.8422 8.3177 8.3177 9.3247 9.4214 9.4384 9.4384 10.3674 10.3674 10.4472 10.6035 10.8979 10.8979 13.9326 13.9326 14.1031 14.1482 15.4916 15.4916 15.7953 15.7953 16.1135 16.2107 17.6346 17.6346 k = 0.4545 0.2624 0.1856 ( 2377 PWs) bands (ev): -47.8261 -47.8261 -22.2266 -22.2266 -14.6061 -14.6061 -14.5901 -14.5900 -7.7788 -7.7788 -7.7559 -7.7525 -6.7646 -6.7646 -6.7346 -6.7346 -6.7291 -6.7254 5.8836 5.8836 8.2695 8.2695 9.3319 9.4097 9.4379 9.4379 10.3649 10.3649 10.4600 10.5857 10.9004 10.9004 13.9666 13.9666 14.1302 14.1663 15.4407 15.4407 15.7866 15.7866 16.1330 16.2136 17.6209 17.6209 k = 0.4659 0.2690 0.1902 ( 2377 PWs) bands (ev): -47.8261 -47.8261 -22.2266 -22.2266 -14.6062 -14.6062 -14.5900 -14.5900 -7.7790 -7.7790 -7.7555 -7.7529 -6.7646 -6.7646 -6.7346 -6.7346 -6.7286 -6.7258 5.9172 5.9172 8.2307 8.2307 9.3397 9.3984 9.4376 9.4376 10.3629 10.3629 10.4736 10.5682 10.9025 10.9025 13.9938 13.9938 14.1523 14.1794 15.4007 15.4007 15.7800 15.7800 16.1521 16.2144 17.6069 17.6069 k = 0.4773 0.2756 0.1948 ( 2380 PWs) bands (ev): -47.8261 -47.8261 -22.2266 -22.2266 -14.6063 -14.6063 -14.5900 -14.5900 -7.7792 -7.7792 -7.7551 -7.7533 -6.7646 -6.7646 -6.7347 -6.7347 -6.7282 -6.7263 5.9419 5.9419 8.2023 8.2023 9.3482 9.3874 9.4375 9.4375 10.3615 10.3615 10.4879 10.5511 10.9040 10.9040 14.0136 14.0136 14.1695 14.1875 15.3720 15.3720 15.7753 15.7753 16.1697 16.2122 17.5949 17.5949 k = 0.4886 0.2821 0.1995 ( 2386 PWs) bands (ev): -47.8261 -47.8261 -22.2267 -22.2267 -14.6064 -14.6064 -14.5901 -14.5901 -7.7793 -7.7793 -7.7546 -7.7538 -6.7646 -6.7646 -6.7347 -6.7347 -6.7277 -6.7268 5.9570 5.9570 8.1849 8.1849 9.3572 9.3769 9.4374 9.4374 10.3606 10.3606 10.5028 10.5345 10.9050 10.9050 14.0256 14.0256 14.1816 14.1906 15.3547 15.3547 15.7725 15.7725 16.1851 16.2067 17.5870 17.5870 k = 0.5000 0.2887 0.2041 ( 2392 PWs) bands (ev): -47.8261 -47.8261 -22.2268 -22.2268 -14.6065 -14.6065 -14.5901 -14.5901 -7.7793 -7.7793 -7.7542 -7.7542 -6.7646 -6.7646 -6.7347 -6.7347 -6.7273 -6.7273 5.9621 5.9621 8.1790 8.1790 9.3668 9.3668 9.4374 9.4374 10.3603 10.3603 10.5184 10.5184 10.9053 10.9053 14.0297 14.0297 14.1886 14.1886 15.3489 15.3489 15.7716 15.7716 16.1976 16.1976 17.5842 17.5842 k = 0.5000 0.2887 0.2041 ( 2392 PWs) bands (ev): -47.8261 -47.8261 -22.2268 -22.2268 -14.6065 -14.6065 -14.5901 -14.5901 -7.7793 -7.7793 -7.7542 -7.7542 -6.7646 -6.7646 -6.7347 -6.7347 -6.7273 -6.7273 5.9621 5.9621 8.1790 8.1790 9.3668 9.3668 9.4374 9.4374 10.3603 10.3603 10.5184 10.5184 10.9053 10.9053 14.0297 14.0297 14.1886 14.1886 15.3489 15.3489 15.7716 15.7716 16.1976 16.1976 17.5842 17.5842 k = 0.5040 0.2770 0.2107 ( 2381 PWs) bands (ev): -47.8261 -47.8261 -22.2267 -22.2266 -14.6065 -14.6063 -14.5900 -14.5900 -7.7794 -7.7793 -7.7542 -7.7542 -6.7648 -6.7645 -6.7348 -6.7347 -6.7273 -6.7273 5.9586 5.9669 8.1799 8.1800 9.3659 9.3662 9.4332 9.4457 10.3566 10.3619 10.5198 10.5199 10.9051 10.9062 14.0166 14.0375 14.1852 14.1855 15.3318 15.3570 15.7647 15.7755 16.1954 16.1955 17.5524 17.6211 k = 0.5081 0.2654 0.2173 ( 2381 PWs) bands (ev): -47.8261 -47.8261 -22.2267 -22.2266 -14.6065 -14.6062 -14.5900 -14.5900 -7.7794 -7.7792 -7.7543 -7.7543 -6.7650 -6.7643 -6.7349 -6.7346 -6.7273 -6.7273 5.9562 5.9728 8.1827 8.1827 9.3629 9.3650 9.4339 9.4571 10.3512 10.3612 10.5239 10.5244 10.9056 10.9077 13.9974 14.0401 14.1751 14.1769 15.3060 15.3558 15.7550 15.7763 16.1886 16.1896 17.5269 17.6617 k = 0.5121 0.2538 0.2239 ( 2381 PWs) bands (ev): -47.8261 -47.8261 -22.2268 -22.2265 -14.6065 -14.6061 -14.5901 -14.5901 -7.7795 -7.7792 -7.7543 -7.7543 -6.7651 -6.7641 -6.7351 -6.7347 -6.7273 -6.7273 5.9551 5.9799 8.1872 8.1874 9.3580 9.3639 9.4390 9.4709 10.3446 10.3583 10.5301 10.5317 10.9070 10.9098 13.9711 14.0360 14.1598 14.1648 15.2719 15.3451 15.7427 15.7743 16.1770 16.1801 17.5082 17.7038 k = 0.5161 0.2421 0.2305 ( 2382 PWs) bands (ev): -47.8261 -47.8261 -22.2269 -22.2265 -14.6066 -14.6060 -14.5902 -14.5902 -7.7796 -7.7792 -7.7545 -7.7544 -6.7653 -6.7640 -6.7352 -6.7348 -6.7273 -6.7273 5.9551 5.9881 8.1935 8.1940 9.3521 9.3634 9.4479 9.4865 10.3372 10.3536 10.5383 10.5414 10.9093 10.9123 13.9362 14.0222 14.1428 14.1510 15.2297 15.3247 15.7283 15.7694 16.1608 16.1677 17.4968 17.7435 k = 0.5202 0.2305 0.2370 ( 2384 PWs) bands (ev): -47.8261 -47.8261 -22.2269 -22.2265 -14.6066 -14.6059 -14.5904 -14.5903 -7.7797 -7.7792 -7.7546 -7.7546 -6.7654 -6.7638 -6.7354 -6.7349 -6.7274 -6.7272 5.9562 5.9974 8.2017 8.2027 9.3460 9.3635 9.4596 9.5035 10.3295 10.3473 10.5479 10.5532 10.9126 10.9153 13.8921 13.9947 14.1284 14.1371 15.1800 15.2948 15.7123 15.7619 16.1404 16.1526 17.4923 17.7750 k = 0.5242 0.2188 0.2436 ( 2386 PWs) bands (ev): -47.8261 -47.8261 -22.2270 -22.2265 -14.6066 -14.6058 -14.5905 -14.5905 -7.7798 -7.7792 -7.7548 -7.7548 -6.7656 -6.7636 -6.7356 -6.7351 -6.7275 -6.7272 5.9583 6.0077 8.2119 8.2137 9.3400 9.3643 9.4736 9.5217 10.3218 10.3400 10.5588 10.5664 10.9170 10.9188 13.8387 13.9523 14.1188 14.1238 15.1233 15.2557 15.6951 15.7519 16.1165 16.1354 17.4938 17.7966 k = 0.5282 0.2072 0.2502 ( 2386 PWs) bands (ev): -47.8261 -47.8261 -22.2271 -22.2264 -14.6066 -14.6056 -14.5907 -14.5906 -7.7800 -7.7792 -7.7550 -7.7549 -6.7657 -6.7634 -6.7358 -6.7353 -6.7275 -6.7272 5.9614 6.0189 8.2240 8.2269 9.3345 9.3658 9.4894 9.5409 10.3143 10.3319 10.5707 10.5806 10.9227 10.9228 13.7767 13.8967 14.1113 14.1126 15.0604 15.2081 15.6769 15.7393 16.0905 16.1165 17.5002 17.8114 k = 0.5323 0.1956 0.2568 ( 2384 PWs) bands (ev): -47.8261 -47.8260 -22.2271 -22.2264 -14.6066 -14.6054 -14.5909 -14.5907 -7.7801 -7.7792 -7.7552 -7.7552 -6.7658 -6.7633 -6.7361 -6.7356 -6.7277 -6.7272 5.9655 6.0310 8.2383 8.2426 9.3297 9.3679 9.5067 9.5610 10.3073 10.3233 10.5836 10.5956 10.9269 10.9299 13.7067 13.8304 14.0996 14.1083 14.9923 15.1529 15.6582 15.7241 16.0635 16.0963 17.5098 17.8219 k = 0.5363 0.1839 0.2634 ( 2384 PWs) bands (ev): -47.8261 -47.8260 -22.2271 -22.2264 -14.6067 -14.6053 -14.5911 -14.5909 -7.7803 -7.7793 -7.7555 -7.7554 -6.7660 -6.7631 -6.7363 -6.7360 -6.7278 -6.7271 5.9703 6.0437 8.2548 8.2608 9.3257 9.3704 9.5252 9.5818 10.3008 10.3145 10.5974 10.6110 10.9315 10.9386 13.6297 13.7551 14.0883 14.1048 14.9201 15.0912 15.6391 15.7060 16.0368 16.0754 17.5210 17.8285 k = 0.5403 0.1723 0.2700 ( 2384 PWs) bands (ev): -47.8261 -47.8260 -22.2272 -22.2263 -14.6067 -14.6051 -14.5913 -14.5910 -7.7804 -7.7793 -7.7558 -7.7557 -6.7661 -6.7629 -6.7365 -6.7363 -6.7279 -6.7271 5.9759 6.0570 8.2736 8.2816 9.3224 9.3733 9.5446 9.6033 10.2951 10.3057 10.6118 10.6264 10.9364 10.9490 13.5465 13.6723 14.0772 14.1013 14.8450 15.0243 15.6195 15.6849 16.0116 16.0541 17.5323 17.8311 k = 0.5444 0.1606 0.2766 ( 2376 PWs) bands (ev): -47.8261 -47.8260 -22.2272 -22.2262 -14.6066 -14.6049 -14.5915 -14.5911 -7.7806 -7.7794 -7.7561 -7.7559 -6.7662 -6.7628 -6.7367 -6.7367 -6.7281 -6.7270 5.9821 6.0709 8.2949 8.3053 9.3199 9.3763 9.5646 9.6253 10.2901 10.2970 10.6269 10.6417 10.9418 10.9613 13.4575 13.5829 14.0661 14.0974 14.7683 14.9537 15.5996 15.6610 15.9887 16.0329 17.5425 17.8294 k = 0.5484 0.1490 0.2831 ( 2378 PWs) bands (ev): -47.8261 -47.8260 -22.2272 -22.2262 -14.6067 -14.6047 -14.5918 -14.5913 -7.7807 -7.7794 -7.7564 -7.7562 -6.7663 -6.7626 -6.7371 -6.7369 -6.7283 -6.7270 5.9888 6.0850 8.3186 8.3318 9.3182 9.3794 9.5850 9.6476 10.2858 10.2888 10.6426 10.6564 10.9474 10.9755 13.3635 13.4876 14.0548 14.0929 14.6913 14.8805 15.5794 15.6343 15.9685 16.0121 17.5505 17.8230 k = 0.5524 0.1374 0.2897 ( 2375 PWs) bands (ev): -47.8261 -47.8260 -22.2272 -22.2262 -14.6067 -14.6044 -14.5921 -14.5914 -7.7809 -7.7795 -7.7568 -7.7565 -6.7664 -6.7624 -6.7376 -6.7371 -6.7285 -6.7269 5.9960 6.0994 8.3450 8.3612 9.3173 9.3824 9.6054 9.6704 10.2812 10.2824 10.6587 10.6706 10.9535 10.9917 13.2650 13.3872 14.0432 14.0876 14.6151 14.8061 15.5589 15.6055 15.9512 15.9920 17.5556 17.8117 k = 0.5565 0.1257 0.2963 ( 2373 PWs) bands (ev): -47.8261 -47.8260 -22.2273 -22.2261 -14.6067 -14.6042 -14.5924 -14.5916 -7.7811 -7.7795 -7.7571 -7.7569 -6.7665 -6.7623 -6.7381 -6.7373 -6.7288 -6.7269 6.0035 6.1138 8.3740 8.3936 9.3173 9.3851 9.6254 9.6934 10.2744 10.2797 10.6751 10.6838 10.9601 11.0101 13.1625 13.2824 14.0312 14.0812 14.5406 14.7317 15.5383 15.5751 15.9364 15.9729 17.5574 17.7954 k = 0.5605 0.1141 0.3029 ( 2369 PWs) bands (ev): -47.8261 -47.8259 -22.2273 -22.2261 -14.6067 -14.6039 -14.5927 -14.5917 -7.7812 -7.7796 -7.7575 -7.7572 -6.7666 -6.7622 -6.7385 -6.7375 -6.7290 -6.7269 6.0113 6.1282 8.4058 8.4291 9.3180 9.3875 9.6449 9.7167 10.2687 10.2777 10.6916 10.6959 10.9671 11.0306 13.0565 13.1738 14.0186 14.0735 14.4689 14.6582 15.5177 15.5439 15.9239 15.9550 17.5555 17.7740 k = 0.5645 0.1024 0.3095 ( 2374 PWs) bands (ev): -47.8261 -47.8259 -22.2274 -22.2261 -14.6068 -14.6037 -14.5931 -14.5919 -7.7814 -7.7797 -7.7580 -7.7575 -6.7667 -6.7621 -6.7390 -6.7376 -6.7293 -6.7269 6.0192 6.1424 8.4402 8.4676 9.3195 9.3895 9.6635 9.7402 10.2642 10.2762 10.7068 10.7079 10.9748 11.0532 12.9477 13.0624 14.0053 14.0643 14.4006 14.5864 15.4974 15.5126 15.9132 15.9383 17.5500 17.7475 k = 0.5685 0.0908 0.3161 ( 2378 PWs) bands (ev): -47.8261 -47.8259 -22.2275 -22.2262 -14.6069 -14.6035 -14.5935 -14.5920 -7.7816 -7.7798 -7.7584 -7.7578 -6.7668 -6.7619 -6.7395 -6.7378 -6.7296 -6.7269 6.0271 6.1562 8.4774 8.5091 9.3219 9.3909 9.6809 9.7639 10.2611 10.2752 10.7162 10.7238 10.9831 11.0779 12.8366 12.9488 13.9914 14.0531 14.3366 14.5170 15.4775 15.4819 15.9040 15.9230 17.5409 17.7161 k = 0.5726 0.0792 0.3226 ( 2376 PWs) bands (ev): -47.8261 -47.8259 -22.2275 -22.2262 -14.6069 -14.6033 -14.5938 -14.5921 -7.7817 -7.7799 -7.7588 -7.7581 -6.7668 -6.7618 -6.7400 -6.7379 -6.7298 -6.7269 6.0351 6.1696 8.5171 8.5535 9.3250 9.3917 9.6969 9.7879 10.2598 10.2744 10.7239 10.7389 10.9923 11.1045 12.7240 12.8341 13.9766 14.0395 14.2774 14.4505 15.4523 15.4585 15.8959 15.9090 17.5282 17.6801 k = 0.5766 0.0675 0.3292 ( 2378 PWs) bands (ev): -47.8261 -47.8259 -22.2275 -22.2262 -14.6070 -14.6030 -14.5942 -14.5922 -7.7818 -7.7800 -7.7593 -7.7584 -6.7669 -6.7618 -6.7405 -6.7380 -6.7301 -6.7269 6.0429 6.1824 8.5594 8.6007 9.3290 9.3919 9.7112 9.8122 10.2602 10.2736 10.7298 10.7529 11.0023 11.1330 12.6107 12.7192 13.9609 14.0231 14.2236 14.3871 15.4244 15.4406 15.8887 15.8964 17.5122 17.6399 k = 0.5806 0.0559 0.3358 ( 2378 PWs) bands (ev): -47.8261 -47.8259 -22.2276 -22.2262 -14.6071 -14.6028 -14.5945 -14.5923 -7.7820 -7.7801 -7.7598 -7.7587 -6.7670 -6.7617 -6.7409 -6.7380 -6.7304 -6.7269 6.0505 6.1945 8.6039 8.6505 9.3338 9.3915 9.7238 9.8368 10.2625 10.2724 10.7335 10.7654 11.0133 11.1631 12.4977 12.6051 13.9443 14.0033 14.1757 14.3272 15.3985 15.4242 15.8821 15.8850 17.4931 17.5958 k = 0.5847 0.0442 0.3424 ( 2370 PWs) bands (ev): -47.8260 -47.8259 -22.2275 -22.2261 -14.6071 -14.6025 -14.5948 -14.5923 -7.7821 -7.7802 -7.7602 -7.7590 -6.7671 -6.7616 -6.7414 -6.7381 -6.7307 -6.7270 6.0578 6.2057 8.6504 8.7027 9.3396 9.3904 9.7346 9.8619 10.2668 10.2708 10.7347 10.7761 11.0252 11.1946 12.3859 12.4931 13.9267 13.9800 14.1338 14.2707 15.3752 15.4096 15.8750 15.8760 17.4710 17.5484 k = 0.5887 0.0326 0.3490 ( 2374 PWs) bands (ev): -47.8260 -47.8259 -22.2276 -22.2261 -14.6072 -14.6024 -14.5951 -14.5925 -7.7821 -7.7803 -7.7607 -7.7593 -6.7671 -6.7616 -6.7418 -6.7381 -6.7310 -6.7270 6.0648 6.2161 8.6985 8.7570 9.3464 9.3887 9.7437 9.8874 10.2682 10.2730 10.7332 10.7847 11.0379 11.2272 12.2767 12.3845 13.9080 13.9534 14.0973 14.2176 15.3547 15.3970 15.8663 15.8702 17.4461 17.4982 k = 0.5927 0.0210 0.3556 ( 2373 PWs) bands (ev): -47.8260 -47.8259 -22.2276 -22.2261 -14.6073 -14.6022 -14.5954 -14.5925 -7.7822 -7.7804 -7.7612 -7.7595 -6.7672 -6.7615 -6.7422 -6.7382 -6.7313 -6.7271 6.0714 6.2254 8.7477 8.8129 9.3541 9.3865 9.7512 9.9135 10.2643 10.2811 10.7285 10.7910 11.0510 11.2606 12.1714 12.2806 13.8882 13.9245 14.0651 14.1678 15.3373 15.3868 15.8589 15.8647 17.4186 17.4457 k = 0.5968 0.0093 0.3622 ( 2372 PWs) bands (ev): -47.8260 -47.8259 -22.2276 -22.2261 -14.6075 -14.6020 -14.5957 -14.5925 -7.7822 -7.7805 -7.7617 -7.7598 -6.7673 -6.7615 -6.7426 -6.7381 -6.7315 -6.7272 6.0775 6.2336 8.7975 8.8700 9.3630 9.3836 9.7574 9.9403 10.2589 10.2909 10.7203 10.7948 11.0642 11.2942 12.0715 12.1831 13.8673 13.8947 14.0355 14.1210 15.3232 15.3792 15.8529 15.8596 17.3886 17.3917 k = 0.6008-0.0023 0.3687 ( 2372 PWs) bands (ev): -47.8260 -47.8259 -22.2276 -22.2261 -14.6076 -14.6019 -14.5959 -14.5925 -7.7822 -7.7806 -7.7622 -7.7600 -6.7673 -6.7615 -6.7429 -6.7381 -6.7318 -6.7273 6.0829 6.2406 8.8470 8.9277 9.3728 9.3802 9.7629 9.9678 10.2516 10.3021 10.7082 10.7962 11.0768 11.3271 11.9790 12.0934 13.8453 13.8651 14.0070 14.0770 15.3128 15.3743 15.8484 15.8548 17.3366 17.3562 k = 0.6048-0.0140 0.3753 ( 2373 PWs) bands (ev): -47.8260 -47.8258 -22.2277 -22.2262 -14.6077 -14.6019 -14.5961 -14.5925 -7.7822 -7.7807 -7.7626 -7.7601 -6.7674 -6.7615 -6.7432 -6.7381 -6.7320 -6.7274 6.0877 6.2463 8.8955 8.9852 9.3762 9.3835 9.7682 9.9962 10.2421 10.3145 10.6921 10.7953 11.0884 11.3582 11.8963 12.0133 13.8220 13.8365 13.9785 14.0355 15.3060 15.3723 15.8455 15.8505 17.2813 17.3218 k = 0.6089-0.0256 0.3819 ( 2372 PWs) bands (ev): -47.8260 -47.8258 -22.2277 -22.2262 -14.6078 -14.6019 -14.5962 -14.5925 -7.7821 -7.7808 -7.7631 -7.7603 -6.7674 -6.7616 -6.7434 -6.7381 -6.7322 -6.7275 6.0918 6.2506 8.9419 9.0414 9.3717 9.3947 9.7742 10.0256 10.2305 10.3274 10.6722 10.7923 11.0981 11.3853 11.8262 11.9443 13.7974 13.8092 13.9493 13.9962 15.3031 15.3733 15.8442 15.8468 17.2262 17.2856 k = 0.6129-0.0372 0.3885 ( 2366 PWs) bands (ev): -47.8260 -47.8258 -22.2276 -22.2261 -14.6079 -14.6018 -14.5962 -14.5924 -7.7820 -7.7809 -7.7636 -7.7604 -6.7675 -6.7616 -6.7436 -6.7380 -6.7324 -6.7276 6.0950 6.2534 8.9853 9.0952 9.3667 9.4058 9.7821 10.0561 10.2170 10.3401 10.6494 10.7875 11.1056 11.4052 11.7730 11.8877 13.7714 13.7832 13.9189 13.9590 15.3042 15.3773 15.8441 15.8449 17.1721 17.2481 k = 0.6169-0.0489 0.3951 ( 2364 PWs) bands (ev): -47.8260 -47.8258 -22.2276 -22.2261 -14.6080 -14.6019 -14.5961 -14.5923 -7.7819 -7.7810 -7.7641 -7.7605 -6.7675 -6.7617 -6.7438 -6.7380 -6.7326 -6.7277 6.0972 6.2546 9.0247 9.1450 9.3612 9.4155 9.7932 10.0876 10.2023 10.3514 10.6254 10.7816 11.1104 11.4137 11.7408 11.8444 13.7436 13.7585 13.8870 13.9237 15.3093 15.3844 15.8425 15.8476 17.1197 17.2102 k = 0.6210-0.0605 0.4017 ( 2368 PWs) bands (ev): -47.8260 -47.8258 -22.2276 -22.2262 -14.6082 -14.6021 -14.5961 -14.5923 -7.7817 -7.7810 -7.7646 -7.7606 -6.7675 -6.7618 -6.7439 -6.7379 -6.7327 -6.7279 6.0984 6.2541 9.0591 9.1885 9.3557 9.4225 9.8091 10.1193 10.1883 10.3591 10.6034 10.7749 11.1128 11.4086 11.7320 11.8144 13.7138 13.7346 13.8536 13.8900 15.3183 15.3945 15.8423 15.8526 17.0695 17.1723 k = 0.6250-0.0722 0.4082 ( 2364 PWs) bands (ev): -47.8260 -47.8258 -22.2276 -22.2261 -14.6082 -14.6022 -14.5960 -14.5922 -7.7815 -7.7811 -7.7650 -7.7606 -6.7675 -6.7619 -6.7440 -6.7379 -6.7327 -6.7280 6.0984 6.2517 9.0879 9.2223 9.3518 9.4254 9.8309 10.1448 10.1827 10.3604 10.5875 10.7683 11.1131 11.3926 11.7436 11.7974 13.6817 13.7109 13.8189 13.8579 15.3313 15.4077 15.8441 15.8601 17.0224 17.1355 k = 0.6250-0.0722 0.4082 ( 2364 PWs) bands (ev): -47.8260 -47.8258 -22.2276 -22.2261 -14.6082 -14.6022 -14.5960 -14.5922 -7.7815 -7.7811 -7.7650 -7.7606 -6.7675 -6.7619 -6.7440 -6.7379 -6.7327 -6.7280 6.0984 6.2517 9.0879 9.2223 9.3518 9.4254 9.8309 10.1448 10.1827 10.3604 10.5875 10.7683 11.1131 11.3926 11.7436 11.7974 13.6817 13.7109 13.8189 13.8579 15.3313 15.4077 15.8441 15.8601 17.0224 17.1355 k = 0.6181-0.0682 0.4196 ( 2369 PWs) bands (ev): -47.8260 -47.8258 -22.2276 -22.2262 -14.6082 -14.6022 -14.5960 -14.5922 -7.7816 -7.7810 -7.7651 -7.7606 -6.7675 -6.7619 -6.7440 -6.7379 -6.7327 -6.7280 6.0984 6.2520 9.0887 9.2235 9.3490 9.4278 9.8313 10.1442 10.1827 10.3624 10.5860 10.7674 11.1150 11.3941 11.7449 11.7976 13.5875 13.7228 13.8041 13.9488 15.3311 15.4092 15.8444 15.8608 17.0106 17.1356 k = 0.6111-0.0642 0.4309 ( 2364 PWs) bands (ev): -47.8260 -47.8258 -22.2276 -22.2261 -14.6082 -14.6022 -14.5960 -14.5922 -7.7817 -7.7808 -7.7653 -7.7604 -6.7675 -6.7618 -6.7440 -6.7379 -6.7328 -6.7280 6.0986 6.2530 9.0911 9.2268 9.3418 9.4340 9.8326 10.1420 10.1831 10.3681 10.5817 10.7647 11.1205 11.3985 11.7486 11.7984 13.4777 13.6093 13.9049 14.0527 15.3307 15.4135 15.8452 15.8632 16.9801 17.1312 k = 0.6042-0.0601 0.4423 ( 2366 PWs) bands (ev): -47.8260 -47.8258 -22.2276 -22.2261 -14.6082 -14.6021 -14.5960 -14.5923 -7.7819 -7.7807 -7.7656 -7.7602 -6.7675 -6.7618 -6.7441 -6.7378 -6.7328 -6.7280 6.0990 6.2545 9.0951 9.2322 9.3325 9.4420 9.8347 10.1380 10.1847 10.3770 10.5748 10.7603 11.1296 11.4059 11.7547 11.7998 13.3660 13.4925 14.0026 14.1523 15.3302 15.4205 15.8465 15.8672 16.9383 17.1163 k = 0.5972-0.0561 0.4536 ( 2366 PWs) bands (ev): -47.8260 -47.8258 -22.2276 -22.2261 -14.6082 -14.6020 -14.5960 -14.5924 -7.7820 -7.7805 -7.7659 -7.7599 -6.7675 -6.7618 -6.7443 -6.7377 -6.7329 -6.7280 6.0995 6.2567 9.1005 9.2390 9.3231 9.4501 9.8375 10.1322 10.1881 10.3883 10.5659 10.7540 11.1419 11.4162 11.7629 11.8018 13.2531 13.3743 14.0960 14.2465 15.3300 15.4301 15.8485 15.8731 16.8897 17.0892 k = 0.5903-0.0521 0.4649 ( 2364 PWs) bands (ev): -47.8260 -47.8258 -22.2276 -22.2261 -14.6082 -14.6019 -14.5961 -14.5925 -7.7822 -7.7803 -7.7664 -7.7597 -6.7675 -6.7617 -6.7444 -6.7376 -6.7330 -6.7279 6.1001 6.2594 9.1072 9.2460 9.3156 9.4576 9.8410 10.1249 10.1932 10.4012 10.5556 10.7461 11.1572 11.4290 11.7731 11.8046 13.1399 13.2554 14.1845 14.3344 15.3303 15.4420 15.8514 15.8811 16.8371 17.0518 k = 0.5833-0.0481 0.4763 ( 2364 PWs) bands (ev): -47.8260 -47.8258 -22.2276 -22.2261 -14.6082 -14.6018 -14.5961 -14.5926 -7.7823 -7.7801 -7.7668 -7.7594 -6.7675 -6.7617 -6.7446 -6.7375 -6.7330 -6.7279 6.1009 6.2626 9.1151 9.2513 9.3127 9.4640 9.8448 10.1170 10.2000 10.4150 10.5444 10.7364 11.1752 11.4444 11.7844 11.8088 13.0269 13.1367 14.2674 14.4153 15.3314 15.4563 15.8553 15.8916 16.7818 17.0066 k = 0.5764-0.0441 0.4876 ( 2370 PWs) bands (ev): -47.8260 -47.8258 -22.2277 -22.2262 -14.6082 -14.6017 -14.5962 -14.5928 -7.7825 -7.7799 -7.7672 -7.7591 -6.7675 -6.7616 -6.7448 -6.7374 -6.7332 -6.7278 6.1019 6.2661 9.1237 9.2526 9.3168 9.4693 9.8486 10.1087 10.2084 10.4290 10.5331 10.7249 11.1959 11.4620 11.7953 11.8157 12.9148 13.0189 14.3443 14.4883 15.3334 15.4726 15.8606 15.9049 16.7249 16.9559 k = 0.5694-0.0401 0.4990 ( 2370 PWs) bands (ev): -47.8260 -47.8258 -22.2277 -22.2262 -14.6082 -14.6015 -14.5963 -14.5930 -7.7826 -7.7797 -7.7677 -7.7589 -6.7675 -6.7615 -6.7450 -6.7373 -6.7333 -6.7278 6.1030 6.2700 9.1327 9.2502 9.3278 9.4735 9.8519 10.1003 10.2185 10.4427 10.5222 10.7117 11.2190 11.4815 11.8036 11.8274 12.8045 12.9028 14.4148 14.5531 15.3366 15.4907 15.8675 15.9211 16.6669 16.9016 k = 0.5625-0.0361 0.5103 ( 2371 PWs) bands (ev): -47.8260 -47.8258 -22.2277 -22.2262 -14.6081 -14.6013 -14.5964 -14.5932 -7.7827 -7.7796 -7.7681 -7.7586 -6.7675 -6.7615 -6.7452 -6.7371 -6.7334 -6.7277 6.1042 6.2741 9.1417 9.2464 9.3437 9.4767 9.8544 10.0918 10.2307 10.4553 10.5122 10.6967 11.2445 11.5027 11.8096 11.8432 12.6966 12.7896 14.4787 14.6092 15.3407 15.5100 15.8767 15.9408 16.6085 16.8449 k = 0.5556-0.0321 0.5217 ( 2373 PWs) bands (ev): -47.8260 -47.8258 -22.2278 -22.2262 -14.6081 -14.6011 -14.5965 -14.5934 -7.7828 -7.7794 -7.7685 -7.7584 -6.7675 -6.7614 -6.7454 -6.7370 -6.7336 -6.7276 6.1055 6.2783 9.1499 9.2431 9.3624 9.4794 9.8558 10.0828 10.2453 10.4666 10.5034 10.6799 11.2721 11.5249 11.8147 11.8614 12.5920 12.6803 14.5358 14.6565 15.3459 15.5299 15.8887 15.9639 16.5501 16.7870 k = 0.5486-0.0281 0.5330 ( 2377 PWs) bands (ev): -47.8260 -47.8258 -22.2278 -22.2262 -14.6081 -14.6010 -14.5966 -14.5937 -7.7828 -7.7793 -7.7688 -7.7582 -6.7675 -6.7613 -6.7456 -6.7369 -6.7337 -6.7276 6.1069 6.2825 9.1569 9.2414 9.3827 9.4817 9.8561 10.0731 10.2625 10.4760 10.4962 10.6611 11.3018 11.5477 11.8198 11.8809 12.4918 12.5761 14.5861 14.6951 15.3517 15.5496 15.9039 15.9904 16.4920 16.7286 k = 0.5417-0.0241 0.5443 ( 2379 PWs) bands (ev): -47.8260 -47.8258 -22.2278 -22.2262 -14.6081 -14.6008 -14.5967 -14.5939 -7.7829 -7.7793 -7.7691 -7.7581 -6.7675 -6.7612 -6.7458 -6.7367 -6.7339 -6.7275 6.1084 6.2865 9.1619 9.2420 9.4036 9.4839 9.8556 10.0625 10.2824 10.4829 10.4911 10.6404 11.3330 11.5704 11.8251 11.9006 12.3969 12.4787 14.6297 14.7254 15.3578 15.5681 15.9230 16.0202 16.4349 16.6707 k = 0.5347-0.0200 0.5557 ( 2368 PWs) bands (ev): -47.8260 -47.8258 -22.2277 -22.2261 -14.6080 -14.6005 -14.5967 -14.5939 -7.7830 -7.7792 -7.7693 -7.7580 -6.7675 -6.7612 -6.7460 -6.7366 -6.7340 -6.7275 6.1098 6.2904 9.1651 9.2448 9.4243 9.4863 9.8547 10.0511 10.3050 10.4840 10.4911 10.6178 11.3653 11.5919 11.8311 11.9197 12.3091 12.3899 14.6668 14.7482 15.3639 15.5845 15.9459 16.0527 16.3791 16.6140 k = 0.5278-0.0160 0.5670 ( 2366 PWs) bands (ev): -47.8260 -47.8258 -22.2277 -22.2261 -14.6080 -14.6004 -14.5967 -14.5941 -7.7830 -7.7792 -7.7695 -7.7579 -6.7675 -6.7611 -6.7461 -6.7365 -6.7342 -6.7275 6.1112 6.2939 9.1667 9.2489 9.4437 9.4887 9.8536 10.0394 10.3297 10.4814 10.4940 10.5935 11.3976 11.6108 11.8383 11.9361 12.2308 12.3119 14.6978 14.7642 15.3695 15.5983 15.9727 16.0867 16.3255 16.5598 k = 0.5208-0.0120 0.5784 ( 2368 PWs) bands (ev): -47.8260 -47.8258 -22.2277 -22.2261 -14.6080 -14.6002 -14.5968 -14.5942 -7.7830 -7.7792 -7.7697 -7.7578 -6.7676 -6.7611 -6.7463 -6.7364 -6.7343 -6.7274 6.1124 6.2969 9.1673 9.2534 9.4609 9.4912 9.8528 10.0280 10.3559 10.4785 10.4963 10.5681 11.4282 11.6259 11.8476 11.9458 12.1666 12.2470 14.7229 14.7743 15.3742 15.6089 16.0026 16.1204 16.2751 16.5099 k = 0.5139-0.0080 0.5897 ( 2366 PWs) bands (ev): -47.8260 -47.8258 -22.2277 -22.2261 -14.6079 -14.6001 -14.5968 -14.5943 -7.7831 -7.7792 -7.7698 -7.7578 -6.7676 -6.7610 -6.7463 -6.7363 -6.7344 -6.7274 6.1134 6.2992 9.1674 9.2575 9.4748 9.4932 9.8525 10.0182 10.3823 10.4751 10.4982 10.5428 11.4547 11.6359 11.8601 11.9423 12.1239 12.1978 14.7421 14.7794 15.3777 15.6164 16.0340 16.1502 16.2302 16.4672 k = 0.5069-0.0040 0.6010 ( 2362 PWs) bands (ev): -47.8260 -47.8258 -22.2277 -22.2260 -14.6079 -14.6000 -14.5968 -14.5943 -7.7831 -7.7792 -7.7698 -7.7577 -6.7676 -6.7610 -6.7464 -6.7362 -6.7345 -6.7274 6.1141 6.3008 9.1675 9.2604 9.4848 9.4939 9.8524 10.0113 10.4055 10.4708 10.5010 10.5203 11.4733 11.6413 11.8767 11.9229 12.1061 12.1666 14.7549 14.7808 15.3799 15.6207 16.0626 16.1669 16.1993 16.4369 k = 0.5000 0.0000 0.6124 ( 2352 PWs) bands (ev): -47.8260 -47.8258 -22.2276 -22.2259 -14.6079 -14.5999 -14.5967 -14.5942 -7.7831 -7.7792 -7.7698 -7.7577 -6.7676 -6.7610 -6.7464 -6.7362 -6.7345 -6.7274 6.1144 6.3013 9.1675 9.2615 9.4907 9.4919 9.8525 10.0087 10.4162 10.4688 10.5044 10.5079 11.4799 11.6432 11.8949 11.9005 12.1029 12.1562 14.7597 14.7808 15.3807 15.6221 16.0764 16.1631 16.1951 16.4257 k = 0.5000 0.0000 0.6124 ( 2352 PWs) bands (ev): -47.8260 -47.8258 -22.2276 -22.2259 -14.6079 -14.5999 -14.5967 -14.5942 -7.7831 -7.7792 -7.7698 -7.7577 -6.7676 -6.7610 -6.7464 -6.7362 -6.7345 -6.7274 6.1144 6.3013 9.1675 9.2615 9.4907 9.4919 9.8525 10.0087 10.4162 10.4688 10.5044 10.5079 11.4799 11.6432 11.8949 11.9005 12.1029 12.1562 14.7597 14.7808 15.3807 15.6221 16.0764 16.1631 16.1951 16.4257 k = 0.5000 0.0080 0.6010 ( 2358 PWs) bands (ev): -47.8260 -47.8258 -22.2276 -22.2260 -14.6079 -14.6000 -14.5968 -14.5942 -7.7831 -7.7792 -7.7698 -7.7577 -6.7676 -6.7610 -6.7464 -6.7362 -6.7345 -6.7274 6.1141 6.3009 9.1665 9.2588 9.4802 9.4946 9.8502 10.0118 10.4007 10.4659 10.5079 10.5246 11.4740 11.6536 11.8612 11.9248 12.1073 12.1718 14.7564 14.7862 15.3791 15.6194 16.0528 16.1623 16.2079 16.4465 k = 0.5000 0.0160 0.5897 ( 2368 PWs) bands (ev): -47.8260 -47.8258 -22.2278 -22.2261 -14.6080 -14.6001 -14.5968 -14.5943 -7.7831 -7.7792 -7.7697 -7.7577 -6.7675 -6.7610 -6.7463 -6.7364 -6.7343 -6.7274 6.1133 6.2996 9.1631 9.2508 9.4596 9.4925 9.8446 10.0196 10.3704 10.4591 10.5162 10.5587 11.4586 11.6812 11.8209 11.9402 12.1272 12.2093 14.7509 14.7977 15.3745 15.6111 16.0133 16.1256 16.2613 16.4970 k = 0.5000 0.0241 0.5784 ( 2370 PWs) bands (ev): -47.8260 -47.8258 -22.2278 -22.2261 -14.6079 -14.6002 -14.5968 -14.5943 -7.7831 -7.7793 -7.7694 -7.7577 -6.7675 -6.7610 -6.7462 -6.7365 -6.7341 -6.7274 6.1119 6.2976 9.1561 9.2383 9.4296 9.4876 9.8376 10.0288 10.3387 10.4505 10.5273 10.5964 11.4372 11.7154 11.7858 11.9509 12.1637 12.2590 14.7466 14.8117 15.3668 15.5977 15.9767 16.0782 16.3261 16.5621 k = 0.5000 0.0321 0.5670 ( 2368 PWs) bands (ev): -47.8260 -47.8258 -22.2277 -22.2261 -14.6079 -14.6002 -14.5967 -14.5943 -7.7830 -7.7793 -7.7691 -7.7577 -6.7675 -6.7610 -6.7461 -6.7367 -6.7339 -6.7273 6.1100 6.2947 9.1431 9.2226 9.3923 9.4816 9.8307 10.0364 10.3095 10.4409 10.5403 10.6334 11.4114 11.7117 11.7985 11.9664 12.2108 12.3165 14.7443 14.8273 15.3558 15.5797 15.9465 16.0302 16.3957 16.6345 k = 0.5000 0.0401 0.5557 ( 2370 PWs) bands (ev): -47.8260 -47.8258 -22.2277 -22.2261 -14.6078 -14.6003 -14.5966 -14.5942 -7.7830 -7.7794 -7.7687 -7.7577 -6.7675 -6.7610 -6.7458 -6.7369 -6.7336 -6.7273 6.1075 6.2910 9.1215 9.2050 9.3514 9.4756 9.8241 10.0406 10.2839 10.4304 10.5545 10.6680 11.3812 11.6728 11.8559 11.9922 12.2644 12.3798 14.7440 14.8434 15.3418 15.5585 15.9230 15.9851 16.4681 16.7112 k = 0.5000 0.0481 0.5443 ( 2374 PWs) bands (ev): -47.8260 -47.8258 -22.2278 -22.2261 -14.6078 -14.6005 -14.5965 -14.5942 -7.7830 -7.7795 -7.7682 -7.7576 -6.7675 -6.7610 -6.7456 -6.7370 -6.7333 -6.7273 6.1046 6.2864 9.0904 9.1829 9.3128 9.4704 9.8176 10.0406 10.2625 10.4194 10.5694 10.6995 11.3472 11.6293 11.9264 12.0303 12.3224 12.4480 14.7456 14.8595 15.3251 15.5357 15.9047 15.9455 16.5423 16.7906 k = 0.5000 0.0561 0.5330 ( 2378 PWs) bands (ev): -47.8260 -47.8258 -22.2278 -22.2262 -14.6077 -14.6007 -14.5964 -14.5941 -7.7830 -7.7795 -7.7677 -7.7576 -6.7674 -6.7611 -6.7453 -6.7372 -6.7330 -6.7273 6.1010 6.2810 9.0512 9.1504 9.2840 9.4662 9.8108 10.0360 10.2451 10.4079 10.5844 10.7277 11.3097 11.5854 12.0054 12.0804 12.3838 12.5204 14.7491 14.8745 15.3064 15.5131 15.8872 15.9155 16.6176 16.8717 k = 0.5000 0.0642 0.5217 ( 2380 PWs) bands (ev): -47.8260 -47.8258 -22.2278 -22.2262 -14.6077 -14.6009 -14.5962 -14.5941 -7.7829 -7.7796 -7.7671 -7.7575 -6.7674 -6.7611 -6.7450 -6.7373 -6.7327 -6.7272 6.0970 6.2748 9.0062 9.1052 9.2676 9.4628 9.8033 10.0273 10.2316 10.3961 10.5988 10.7526 11.2698 11.5417 12.0913 12.1411 12.4483 12.5970 14.7540 14.8875 15.2867 15.4928 15.8644 15.9004 16.6932 16.9538 k = 0.5000 0.0722 0.5103 ( 2376 PWs) bands (ev): -47.8260 -47.8258 -22.2278 -22.2261 -14.6075 -14.6011 -14.5960 -14.5940 -7.7829 -7.7796 -7.7665 -7.7575 -6.7674 -6.7611 -6.7446 -6.7375 -6.7324 -6.7272 6.0925 6.2678 8.9573 9.0513 9.2601 9.4600 9.7950 10.0149 10.2215 10.3842 10.6122 10.7745 11.2281 11.4987 12.1823 12.2110 12.5159 12.6774 14.7598 14.8974 15.2673 15.4764 15.8408 15.8949 16.7686 17.0363 k = 0.5000 0.0802 0.4990 ( 2376 PWs) bands (ev): -47.8260 -47.8258 -22.2277 -22.2261 -14.6074 -14.6013 -14.5957 -14.5939 -7.7828 -7.7797 -7.7659 -7.7574 -6.7673 -6.7612 -6.7442 -6.7376 -6.7321 -6.7272 6.0875 6.2599 8.9061 8.9931 9.2575 9.4577 9.7858 9.9992 10.2144 10.3723 10.6242 10.7937 11.1857 11.4563 12.2729 12.2924 12.5866 12.7617 14.7658 14.9033 15.2496 15.4657 15.8203 15.8938 16.8431 17.1187 k = 0.5000 0.0882 0.4876 ( 2376 PWs) bands (ev): -47.8260 -47.8258 -22.2277 -22.2261 -14.6073 -14.6015 -14.5955 -14.5937 -7.7827 -7.7797 -7.7652 -7.7574 -6.7673 -6.7612 -6.7438 -6.7377 -6.7317 -6.7271 6.0821 6.2512 8.8538 8.9332 9.2576 9.4554 9.7755 9.9809 10.2100 10.3607 10.6346 10.8104 11.1431 11.4149 12.3567 12.3886 12.6608 12.8499 14.7711 14.9050 15.2346 15.4619 15.8036 15.8954 16.9163 17.2005 k = 0.5000 0.0962 0.4763 ( 2376 PWs) bands (ev): -47.8260 -47.8259 -22.2277 -22.2261 -14.6072 -14.6017 -14.5952 -14.5936 -7.7826 -7.7797 -7.7645 -7.7573 -6.7672 -6.7613 -6.7434 -6.7377 -6.7314 -6.7271 6.0762 6.2418 8.8012 8.8733 9.2593 9.4532 9.7643 9.9604 10.2079 10.3495 10.6432 10.8249 11.1010 11.3743 12.4394 12.4909 12.7390 12.9416 14.7747 14.9028 15.2234 15.4659 15.7905 15.8990 16.9875 17.2813 k = 0.5000 0.1042 0.4649 ( 2382 PWs) bands (ev): -47.8260 -47.8259 -22.2277 -22.2262 -14.6072 -14.6020 -14.5950 -14.5935 -7.7825 -7.7797 -7.7638 -7.7572 -6.7672 -6.7614 -6.7429 -6.7378 -6.7311 -6.7270 6.0699 6.2315 8.7492 8.8144 9.2619 9.4506 9.7522 9.9380 10.2078 10.3390 10.6501 10.8371 11.0600 11.3347 12.5229 12.5946 12.8220 13.0367 14.7755 14.8978 15.2166 15.4779 15.7806 15.9043 17.0564 17.3604 k = 0.5000 0.1123 0.4536 ( 2380 PWs) bands (ev): -47.8260 -47.8259 -22.2277 -22.2262 -14.6071 -14.6022 -14.5947 -14.5934 -7.7824 -7.7797 -7.7631 -7.7571 -6.7671 -6.7614 -6.7424 -6.7378 -6.7308 -6.7270 6.0632 6.2205 8.6984 8.7570 9.2651 9.4478 9.7392 9.9143 10.2094 10.3292 10.6552 10.8468 11.0210 11.2963 12.6068 12.6971 12.9105 13.1345 14.7729 14.8913 15.2153 15.4972 15.7733 15.9109 17.1222 17.4376 k = 0.5000 0.1203 0.4423 ( 2382 PWs) bands (ev): -47.8261 -47.8259 -22.2277 -22.2262 -14.6070 -14.6025 -14.5944 -14.5932 -7.7823 -7.7797 -7.7624 -7.7570 -6.7670 -6.7615 -6.7419 -6.7378 -6.7305 -6.7270 6.0562 6.2088 8.6492 8.7017 9.2687 9.4444 9.7254 9.8894 10.2125 10.3204 10.6586 10.8533 10.9849 11.2590 12.6909 12.7968 13.0051 13.2344 14.7672 14.8843 15.2200 15.5228 15.7683 15.9187 17.1845 17.5122 k = 0.5000 0.1283 0.4309 ( 2382 PWs) bands (ev): -47.8261 -47.8259 -22.2276 -22.2262 -14.6070 -14.6028 -14.5941 -14.5931 -7.7821 -7.7797 -7.7617 -7.7569 -6.7670 -6.7616 -6.7414 -6.7378 -6.7302 -6.7270 6.0489 6.1965 8.6020 8.6487 9.2725 9.4405 9.7109 9.8638 10.2168 10.3126 10.6604 10.8547 10.9541 11.2230 12.7748 12.8927 13.1053 13.3352 14.7593 14.8778 15.2311 15.5534 15.7653 15.9276 17.2427 17.5838 k = 0.5000 0.1363 0.4196 ( 2384 PWs) bands (ev): -47.8261 -47.8259 -22.2276 -22.2262 -14.6069 -14.6030 -14.5938 -14.5929 -7.7820 -7.7797 -7.7611 -7.7568 -6.7669 -6.7617 -6.7408 -6.7377 -6.7299 -6.7270 6.0414 6.1836 8.5571 8.5985 9.2764 9.4361 9.6956 9.8375 10.2222 10.3060 10.6607 10.8474 10.9322 11.1885 12.8584 12.9848 13.2100 13.4356 14.7507 14.8724 15.2484 15.5876 15.7641 15.9375 17.2963 17.6518 k = 0.5000 0.1443 0.4082 ( 2392 PWs) bands (ev): -47.8261 -47.8259 -22.2277 -22.2263 -14.6069 -14.6033 -14.5936 -14.5928 -7.7818 -7.7796 -7.7604 -7.7566 -6.7668 -6.7618 -6.7403 -6.7376 -6.7297 -6.7269 6.0337 6.1701 8.5147 8.5510 9.2803 9.4311 9.6797 9.8109 10.2285 10.3006 10.6595 10.8296 10.9214 11.1554 12.9417 13.0737 13.3171 13.5343 14.7432 14.8692 15.2713 15.6240 15.7647 15.9484 17.3448 17.7157 k = 0.5000 0.1524 0.3969 ( 2386 PWs) bands (ev): -47.8261 -47.8259 -22.2275 -22.2263 -14.6068 -14.6035 -14.5932 -14.5925 -7.7816 -7.7796 -7.7597 -7.7565 -6.7667 -6.7619 -6.7398 -6.7376 -6.7294 -6.7269 6.0259 6.1563 8.4749 8.5066 9.2843 9.4257 9.6632 9.7841 10.2357 10.2965 10.6569 10.8049 10.9182 11.1242 13.0246 13.1601 13.4242 13.6293 14.7385 14.8694 15.2989 15.6608 15.7681 15.9602 17.3876 17.7747 k = 0.5000 0.1604 0.3856 ( 2388 PWs) bands (ev): -47.8261 -47.8260 -22.2275 -22.2263 -14.6068 -14.6038 -14.5929 -14.5923 -7.7815 -7.7796 -7.7591 -7.7563 -6.7667 -6.7620 -6.7393 -6.7374 -6.7291 -6.7270 6.0181 6.1421 8.4378 8.4651 9.2884 9.4198 9.6461 9.7574 10.2434 10.2936 10.6529 10.7779 10.9181 11.0947 13.1070 13.2448 13.5291 13.7187 14.7382 14.8746 15.3303 15.6947 15.7763 15.9728 17.4245 17.8273 k = 0.5000 0.1684 0.3742 ( 2384 PWs) bands (ev): -47.8261 -47.8260 -22.2274 -22.2263 -14.6067 -14.6040 -14.5926 -14.5921 -7.7813 -7.7795 -7.7585 -7.7562 -6.7666 -6.7622 -6.7387 -6.7373 -6.7289 -6.7270 6.0103 6.1277 8.4035 8.4268 9.2924 9.4136 9.6286 9.7309 10.2517 10.2922 10.6476 10.7508 10.9190 11.0673 13.1890 13.3279 13.6292 13.8006 14.7439 14.8864 15.3647 15.7203 15.7943 15.9864 17.4549 17.8682 k = 0.5000 0.1764 0.3629 ( 2384 PWs) bands (ev): -47.8261 -47.8260 -22.2274 -22.2263 -14.6067 -14.6043 -14.5923 -14.5919 -7.7811 -7.7795 -7.7580 -7.7560 -6.7665 -6.7623 -6.7382 -6.7371 -6.7287 -6.7270 6.0027 6.1132 8.3720 8.3915 9.2966 9.4072 9.6107 9.7047 10.2603 10.2921 10.6410 10.7247 10.9200 11.0420 13.2703 13.4097 13.7225 13.8732 14.7570 14.9060 15.4012 15.7347 15.8241 16.0009 17.4787 17.8830 k = 0.5000 0.1844 0.3515 ( 2384 PWs) bands (ev): -47.8261 -47.8260 -22.2273 -22.2263 -14.6067 -14.6045 -14.5920 -14.5917 -7.7809 -7.7794 -7.7574 -7.7558 -6.7664 -6.7625 -6.7378 -6.7369 -6.7284 -6.7270 5.9953 6.0987 8.3432 8.3593 9.3009 9.4007 9.5925 9.6791 10.2691 10.2936 10.6331 10.6999 10.9206 11.0190 13.3506 13.4900 13.8067 13.9350 14.7786 14.9342 15.4391 15.7419 15.8609 16.0163 17.4959 17.8807 k = 0.5000 0.1925 0.3402 ( 2392 PWs) bands (ev): -47.8261 -47.8260 -22.2274 -22.2264 -14.6067 -14.6048 -14.5918 -14.5916 -7.7807 -7.7794 -7.7570 -7.7557 -6.7663 -6.7626 -6.7373 -6.7367 -6.7282 -6.7270 5.9882 6.0843 8.3171 8.3301 9.3053 9.3944 9.5742 9.6540 10.2777 10.2965 10.6242 10.6765 10.9208 10.9983 13.4298 13.5685 13.8803 13.9857 14.8096 14.9708 15.4777 15.7462 15.9002 16.0326 17.5066 17.8738 k = 0.5000 0.2005 0.3289 ( 2380 PWs) bands (ev): -47.8261 -47.8260 -22.2272 -22.2263 -14.6066 -14.6049 -14.5915 -14.5913 -7.7806 -7.7793 -7.7565 -7.7555 -6.7662 -6.7628 -6.7369 -6.7365 -6.7281 -6.7271 5.9816 6.0701 8.2935 8.3039 9.3100 9.3883 9.5559 9.6297 10.2858 10.3013 10.6142 10.6547 10.9205 10.9800 13.5073 13.6447 13.9424 14.0255 14.8498 15.0148 15.5162 15.7493 15.9399 16.0496 17.5114 17.8650 k = 0.5000 0.2085 0.3175 ( 2382 PWs) bands (ev): -47.8261 -47.8260 -22.2272 -22.2263 -14.6067 -14.6051 -14.5912 -14.5911 -7.7804 -7.7793 -7.7561 -7.7553 -6.7661 -6.7629 -6.7366 -6.7362 -6.7279 -6.7271 5.9755 6.0564 8.2725 8.2805 9.3149 9.3826 9.5378 9.6062 10.2932 10.3078 10.6034 10.6344 10.9197 10.9641 13.5825 13.7180 13.9929 14.0559 14.8983 15.0640 15.5539 15.7519 15.9787 16.0673 17.5112 17.8549 k = 0.5000 0.2165 0.3062 ( 2384 PWs) bands (ev): -47.8261 -47.8260 -22.2271 -22.2264 -14.6067 -14.6053 -14.5910 -14.5909 -7.7803 -7.7793 -7.7557 -7.7551 -6.7659 -6.7631 -6.7363 -6.7359 -6.7278 -6.7271 5.9700 6.0431 8.2539 8.2598 9.3202 9.3774 9.5201 9.5835 10.3002 10.3155 10.5920 10.6155 10.9185 10.9505 13.6548 13.7875 14.0330 14.0784 14.9531 15.1157 15.5902 15.7544 16.0160 16.0853 17.5074 17.8436 k = 0.5000 0.2245 0.2948 ( 2386 PWs) bands (ev): -47.8261 -47.8260 -22.2271 -22.2264 -14.6066 -14.6055 -14.5909 -14.5908 -7.7801 -7.7792 -7.7554 -7.7550 -6.7658 -6.7633 -6.7361 -6.7356 -6.7276 -6.7272 5.9652 6.0304 8.2376 8.2418 9.3259 9.3730 9.5030 9.5618 10.3072 10.3239 10.5804 10.5979 10.9170 10.9391 13.7232 13.8521 14.0643 14.0954 15.0116 15.1673 15.6243 15.7570 16.0513 16.1035 17.5015 17.8310 k = 0.5000 0.2325 0.2835 ( 2384 PWs) bands (ev): -47.8261 -47.8261 -22.2270 -22.2264 -14.6066 -14.6056 -14.5907 -14.5906 -7.7800 -7.7792 -7.7551 -7.7548 -6.7657 -6.7634 -6.7358 -6.7353 -6.7275 -6.7272 5.9613 6.0185 8.2235 8.2264 9.3319 9.3693 9.4869 9.5412 10.3145 10.3323 10.5689 10.5816 10.9151 10.9299 13.7868 13.9102 14.0888 14.1091 15.0711 15.2161 15.6555 15.7601 16.0839 16.1215 17.4956 17.8167 k = 0.5000 0.2406 0.2722 ( 2382 PWs) bands (ev): -47.8261 -47.8261 -22.2270 -22.2264 -14.6066 -14.6058 -14.5905 -14.5904 -7.7798 -7.7792 -7.7548 -7.7547 -6.7656 -6.7636 -6.7356 -6.7351 -6.7274 -6.7272 5.9582 6.0073 8.2115 8.2133 9.3384 9.3666 9.4720 9.5216 10.3220 10.3403 10.5577 10.5666 10.9130 10.9225 13.8445 13.9598 14.1081 14.1222 15.1289 15.2598 15.6831 15.7636 16.1133 16.1386 17.4916 17.7993 k = 0.5000 0.2486 0.2608 ( 2382 PWs) bands (ev): -47.8261 -47.8261 -22.2269 -22.2265 -14.6066 -14.6059 -14.5903 -14.5903 -7.7797 -7.7792 -7.7546 -7.7545 -6.7654 -6.7638 -6.7354 -6.7349 -6.7274 -6.7272 5.9561 5.9971 8.2015 8.2025 9.3450 9.3649 9.4587 9.5033 10.3297 10.3475 10.5473 10.5531 10.9108 10.9169 13.8951 13.9981 14.1249 14.1362 15.1829 15.2968 15.7068 15.7676 16.1390 16.1546 17.4914 17.7760 k = 0.5000 0.2566 0.2495 ( 2382 PWs) bands (ev): -47.8261 -47.8261 -22.2269 -22.2265 -14.6066 -14.6060 -14.5902 -14.5902 -7.7796 -7.7792 -7.7545 -7.7544 -6.7653 -6.7640 -6.7352 -6.7348 -6.7273 -6.7273 5.9551 5.9879 8.1934 8.1938 9.3516 9.3641 9.4474 9.4862 10.3374 10.3537 10.5380 10.5413 10.9087 10.9128 13.9376 14.0233 14.1422 14.1508 15.2312 15.3256 15.7265 15.7716 16.1603 16.1687 17.4966 17.7433 k = 0.5000 0.2646 0.2381 ( 2378 PWs) bands (ev): -47.8261 -47.8261 -22.2268 -22.2265 -14.6065 -14.6061 -14.5901 -14.5901 -7.7795 -7.7792 -7.7543 -7.7543 -6.7651 -6.7641 -6.7351 -6.7347 -6.7273 -6.7273 5.9551 5.9798 8.1871 8.1873 9.3578 9.3643 9.4388 9.4707 10.3447 10.3584 10.5300 10.5316 10.9068 10.9098 13.9717 14.0363 14.1600 14.1649 15.2726 15.3454 15.7424 15.7749 16.1769 16.1806 17.5084 17.7033 k = 0.5000 0.2726 0.2268 ( 2380 PWs) bands (ev): -47.8261 -47.8261 -22.2267 -22.2266 -14.6065 -14.6062 -14.5900 -14.5900 -7.7794 -7.7792 -7.7543 -7.7543 -6.7650 -6.7643 -6.7349 -6.7346 -6.7273 -6.7273 5.9563 5.9727 8.1826 8.1826 9.3628 9.3651 9.4338 9.4570 10.3513 10.3612 10.5238 10.5243 10.9056 10.9077 13.9977 14.0401 14.1753 14.1770 15.3063 15.3559 15.7550 15.7764 16.1886 16.1897 17.5271 17.6612 k = 0.5000 0.2807 0.2155 ( 2382 PWs) bands (ev): -47.8261 -47.8261 -22.2267 -22.2266 -14.6065 -14.6063 -14.5900 -14.5900 -7.7794 -7.7793 -7.7542 -7.7542 -6.7648 -6.7645 -6.7348 -6.7347 -6.7273 -6.7273 5.9586 5.9668 8.1799 8.1800 9.3659 9.3662 9.4332 9.4456 10.3566 10.3619 10.5198 10.5198 10.9051 10.9062 14.0167 14.0375 14.1853 14.1855 15.3319 15.3570 15.7647 15.7755 16.1954 16.1956 17.5526 17.6208 k = 0.5000 0.2887 0.2041 ( 2392 PWs) bands (ev): -47.8261 -47.8261 -22.2268 -22.2268 -14.6065 -14.6065 -14.5901 -14.5901 -7.7793 -7.7793 -7.7542 -7.7542 -6.7646 -6.7646 -6.7347 -6.7347 -6.7273 -6.7273 5.9621 5.9621 8.1790 8.1790 9.3668 9.3668 9.4374 9.4374 10.3603 10.3603 10.5184 10.5184 10.9053 10.9053 14.0297 14.0297 14.1886 14.1886 15.3489 15.3489 15.7716 15.7716 16.1976 16.1976 17.5842 17.5842 k = 0.5000 0.2887 0.2041 ( 2392 PWs) bands (ev): -47.8261 -47.8261 -22.2268 -22.2268 -14.6065 -14.6065 -14.5901 -14.5901 -7.7793 -7.7793 -7.7542 -7.7542 -6.7646 -6.7646 -6.7347 -6.7347 -6.7273 -6.7273 5.9621 5.9621 8.1790 8.1790 9.3668 9.3668 9.4374 9.4374 10.3603 10.3603 10.5184 10.5184 10.9053 10.9053 14.0297 14.0297 14.1886 14.1886 15.3489 15.3489 15.7716 15.7716 16.1976 16.1976 17.5842 17.5842 k = 0.4960 0.2863 0.2173 ( 2381 PWs) bands (ev): -47.8261 -47.8261 -22.2267 -22.2266 -14.6065 -14.6063 -14.5900 -14.5900 -7.7794 -7.7793 -7.7542 -7.7542 -6.7648 -6.7645 -6.7348 -6.7347 -6.7273 -6.7273 5.9586 5.9669 8.1799 8.1800 9.3659 9.3662 9.4332 9.4457 10.3566 10.3619 10.5198 10.5199 10.9051 10.9062 14.0166 14.0375 14.1852 14.1855 15.3318 15.3570 15.7647 15.7755 16.1954 16.1955 17.5524 17.6211 k = 0.4919 0.2840 0.2305 ( 2381 PWs) bands (ev): -47.8261 -47.8261 -22.2267 -22.2266 -14.6065 -14.6062 -14.5900 -14.5900 -7.7794 -7.7792 -7.7543 -7.7543 -6.7650 -6.7643 -6.7349 -6.7346 -6.7273 -6.7273 5.9562 5.9728 8.1827 8.1827 9.3629 9.3650 9.4339 9.4571 10.3512 10.3612 10.5239 10.5244 10.9056 10.9077 13.9974 14.0401 14.1751 14.1769 15.3060 15.3558 15.7550 15.7763 16.1886 16.1896 17.5269 17.6617 k = 0.4879 0.2817 0.2436 ( 2381 PWs) bands (ev): -47.8261 -47.8261 -22.2268 -22.2265 -14.6065 -14.6061 -14.5901 -14.5901 -7.7795 -7.7792 -7.7543 -7.7543 -6.7651 -6.7641 -6.7351 -6.7347 -6.7273 -6.7273 5.9551 5.9799 8.1872 8.1874 9.3580 9.3639 9.4390 9.4709 10.3446 10.3583 10.5301 10.5317 10.9070 10.9098 13.9711 14.0360 14.1598 14.1648 15.2719 15.3451 15.7427 15.7743 16.1770 16.1801 17.5082 17.7038 k = 0.4839 0.2794 0.2568 ( 2382 PWs) bands (ev): -47.8261 -47.8261 -22.2269 -22.2265 -14.6066 -14.6060 -14.5902 -14.5902 -7.7796 -7.7792 -7.7545 -7.7544 -6.7653 -6.7640 -6.7352 -6.7348 -6.7273 -6.7273 5.9551 5.9881 8.1935 8.1940 9.3521 9.3634 9.4479 9.4865 10.3372 10.3536 10.5383 10.5414 10.9093 10.9123 13.9362 14.0222 14.1428 14.1510 15.2297 15.3247 15.7283 15.7694 16.1608 16.1677 17.4968 17.7435 k = 0.4798 0.2770 0.2700 ( 2384 PWs) bands (ev): -47.8261 -47.8261 -22.2269 -22.2265 -14.6066 -14.6059 -14.5904 -14.5903 -7.7797 -7.7792 -7.7546 -7.7546 -6.7654 -6.7638 -6.7354 -6.7349 -6.7274 -6.7272 5.9562 5.9974 8.2017 8.2027 9.3460 9.3635 9.4596 9.5035 10.3295 10.3473 10.5479 10.5532 10.9126 10.9153 13.8921 13.9947 14.1284 14.1371 15.1800 15.2948 15.7123 15.7619 16.1404 16.1526 17.4923 17.7750 k = 0.4758 0.2747 0.2831 ( 2386 PWs) bands (ev): -47.8261 -47.8261 -22.2270 -22.2265 -14.6066 -14.6058 -14.5905 -14.5905 -7.7798 -7.7792 -7.7548 -7.7548 -6.7656 -6.7636 -6.7356 -6.7351 -6.7275 -6.7272 5.9583 6.0077 8.2119 8.2137 9.3400 9.3643 9.4736 9.5217 10.3218 10.3400 10.5588 10.5664 10.9170 10.9188 13.8387 13.9523 14.1188 14.1238 15.1233 15.2557 15.6951 15.7519 16.1165 16.1354 17.4938 17.7966 k = 0.4718 0.2724 0.2963 ( 2386 PWs) bands (ev): -47.8261 -47.8261 -22.2271 -22.2264 -14.6066 -14.6056 -14.5907 -14.5906 -7.7800 -7.7792 -7.7550 -7.7549 -6.7657 -6.7634 -6.7358 -6.7353 -6.7275 -6.7272 5.9614 6.0189 8.2240 8.2269 9.3345 9.3658 9.4894 9.5409 10.3143 10.3319 10.5707 10.5806 10.9227 10.9228 13.7767 13.8967 14.1113 14.1126 15.0604 15.2081 15.6769 15.7393 16.0905 16.1165 17.5002 17.8114 k = 0.4677 0.2701 0.3095 ( 2384 PWs) bands (ev): -47.8261 -47.8260 -22.2271 -22.2264 -14.6066 -14.6054 -14.5909 -14.5907 -7.7801 -7.7792 -7.7552 -7.7552 -6.7658 -6.7633 -6.7361 -6.7356 -6.7277 -6.7272 5.9655 6.0310 8.2383 8.2426 9.3297 9.3679 9.5067 9.5610 10.3073 10.3233 10.5836 10.5956 10.9269 10.9299 13.7067 13.8304 14.0996 14.1083 14.9923 15.1529 15.6582 15.7241 16.0635 16.0963 17.5098 17.8219 k = 0.4637 0.2677 0.3226 ( 2384 PWs) bands (ev): -47.8261 -47.8260 -22.2271 -22.2264 -14.6067 -14.6053 -14.5911 -14.5909 -7.7803 -7.7793 -7.7555 -7.7554 -6.7660 -6.7631 -6.7363 -6.7360 -6.7278 -6.7271 5.9703 6.0437 8.2548 8.2608 9.3257 9.3704 9.5252 9.5818 10.3008 10.3145 10.5974 10.6110 10.9315 10.9386 13.6297 13.7551 14.0883 14.1048 14.9201 15.0912 15.6391 15.7060 16.0368 16.0754 17.5210 17.8285 k = 0.4597 0.2654 0.3358 ( 2384 PWs) bands (ev): -47.8261 -47.8260 -22.2272 -22.2263 -14.6067 -14.6051 -14.5913 -14.5910 -7.7804 -7.7793 -7.7558 -7.7557 -6.7661 -6.7629 -6.7365 -6.7363 -6.7279 -6.7271 5.9759 6.0570 8.2736 8.2816 9.3224 9.3733 9.5446 9.6033 10.2951 10.3057 10.6118 10.6264 10.9364 10.9490 13.5465 13.6723 14.0772 14.1013 14.8450 15.0243 15.6195 15.6849 16.0116 16.0541 17.5323 17.8311 k = 0.4556 0.2631 0.3490 ( 2376 PWs) bands (ev): -47.8261 -47.8260 -22.2272 -22.2262 -14.6066 -14.6049 -14.5915 -14.5911 -7.7806 -7.7794 -7.7561 -7.7559 -6.7662 -6.7628 -6.7367 -6.7367 -6.7281 -6.7270 5.9821 6.0709 8.2949 8.3053 9.3199 9.3763 9.5646 9.6253 10.2901 10.2970 10.6269 10.6417 10.9418 10.9613 13.4575 13.5829 14.0661 14.0974 14.7683 14.9537 15.5996 15.6610 15.9887 16.0329 17.5425 17.8294 k = 0.4516 0.2607 0.3622 ( 2378 PWs) bands (ev): -47.8261 -47.8260 -22.2272 -22.2262 -14.6067 -14.6047 -14.5918 -14.5913 -7.7807 -7.7794 -7.7564 -7.7562 -6.7663 -6.7626 -6.7371 -6.7369 -6.7283 -6.7270 5.9888 6.0850 8.3186 8.3318 9.3182 9.3794 9.5850 9.6476 10.2858 10.2888 10.6426 10.6564 10.9474 10.9755 13.3635 13.4876 14.0548 14.0929 14.6913 14.8805 15.5794 15.6343 15.9685 16.0121 17.5505 17.8230 k = 0.4476 0.2584 0.3753 ( 2375 PWs) bands (ev): -47.8261 -47.8260 -22.2272 -22.2262 -14.6067 -14.6044 -14.5921 -14.5914 -7.7809 -7.7795 -7.7568 -7.7565 -6.7664 -6.7624 -6.7376 -6.7371 -6.7285 -6.7269 5.9960 6.0994 8.3450 8.3612 9.3173 9.3824 9.6054 9.6704 10.2812 10.2824 10.6587 10.6706 10.9535 10.9917 13.2650 13.3872 14.0432 14.0876 14.6151 14.8061 15.5589 15.6055 15.9512 15.9920 17.5556 17.8117 k = 0.4435 0.2561 0.3885 ( 2373 PWs) bands (ev): -47.8261 -47.8260 -22.2273 -22.2261 -14.6067 -14.6042 -14.5924 -14.5916 -7.7811 -7.7795 -7.7571 -7.7569 -6.7665 -6.7623 -6.7381 -6.7373 -6.7288 -6.7269 6.0035 6.1138 8.3740 8.3936 9.3173 9.3851 9.6254 9.6934 10.2744 10.2797 10.6751 10.6838 10.9601 11.0101 13.1625 13.2824 14.0312 14.0812 14.5406 14.7317 15.5383 15.5751 15.9364 15.9729 17.5574 17.7954 k = 0.4395 0.2538 0.4017 ( 2369 PWs) bands (ev): -47.8261 -47.8259 -22.2273 -22.2261 -14.6067 -14.6039 -14.5927 -14.5917 -7.7812 -7.7796 -7.7575 -7.7572 -6.7666 -6.7622 -6.7385 -6.7375 -6.7290 -6.7269 6.0113 6.1282 8.4058 8.4291 9.3180 9.3875 9.6449 9.7167 10.2687 10.2777 10.6916 10.6959 10.9671 11.0306 13.0565 13.1738 14.0186 14.0735 14.4689 14.6582 15.5177 15.5439 15.9239 15.9550 17.5555 17.7740 k = 0.4355 0.2514 0.4148 ( 2374 PWs) bands (ev): -47.8261 -47.8259 -22.2274 -22.2261 -14.6068 -14.6037 -14.5931 -14.5919 -7.7814 -7.7797 -7.7580 -7.7575 -6.7667 -6.7621 -6.7390 -6.7376 -6.7293 -6.7269 6.0192 6.1424 8.4402 8.4676 9.3195 9.3895 9.6635 9.7402 10.2642 10.2762 10.7068 10.7079 10.9748 11.0532 12.9477 13.0624 14.0053 14.0643 14.4006 14.5864 15.4974 15.5126 15.9132 15.9383 17.5500 17.7475 k = 0.4315 0.2491 0.4280 ( 2378 PWs) bands (ev): -47.8261 -47.8259 -22.2275 -22.2262 -14.6069 -14.6035 -14.5935 -14.5920 -7.7816 -7.7798 -7.7584 -7.7578 -6.7668 -6.7619 -6.7395 -6.7378 -6.7296 -6.7269 6.0271 6.1562 8.4774 8.5091 9.3219 9.3909 9.6809 9.7639 10.2611 10.2752 10.7162 10.7238 10.9831 11.0779 12.8366 12.9488 13.9914 14.0531 14.3366 14.5170 15.4775 15.4819 15.9040 15.9230 17.5409 17.7161 k = 0.4274 0.2468 0.4412 ( 2376 PWs) bands (ev): -47.8261 -47.8259 -22.2275 -22.2262 -14.6069 -14.6033 -14.5938 -14.5921 -7.7817 -7.7799 -7.7588 -7.7581 -6.7668 -6.7618 -6.7400 -6.7379 -6.7298 -6.7269 6.0351 6.1696 8.5171 8.5535 9.3250 9.3917 9.6969 9.7879 10.2598 10.2744 10.7239 10.7389 10.9923 11.1045 12.7240 12.8341 13.9766 14.0395 14.2774 14.4505 15.4523 15.4585 15.8959 15.9090 17.5282 17.6801 k = 0.4234 0.2444 0.4543 ( 2378 PWs) bands (ev): -47.8261 -47.8259 -22.2275 -22.2262 -14.6070 -14.6030 -14.5942 -14.5922 -7.7818 -7.7800 -7.7593 -7.7584 -6.7669 -6.7618 -6.7405 -6.7380 -6.7301 -6.7269 6.0429 6.1824 8.5594 8.6007 9.3290 9.3919 9.7112 9.8122 10.2602 10.2736 10.7298 10.7529 11.0023 11.1330 12.6107 12.7192 13.9609 14.0231 14.2236 14.3871 15.4244 15.4406 15.8887 15.8964 17.5122 17.6399 k = 0.4194 0.2421 0.4675 ( 2378 PWs) bands (ev): -47.8261 -47.8259 -22.2276 -22.2262 -14.6071 -14.6028 -14.5945 -14.5923 -7.7820 -7.7801 -7.7598 -7.7587 -6.7670 -6.7617 -6.7409 -6.7380 -6.7304 -6.7269 6.0505 6.1945 8.6039 8.6505 9.3338 9.3915 9.7238 9.8368 10.2625 10.2724 10.7335 10.7654 11.0133 11.1631 12.4977 12.6051 13.9443 14.0033 14.1757 14.3272 15.3985 15.4242 15.8821 15.8850 17.4931 17.5958 k = 0.4153 0.2398 0.4807 ( 2370 PWs) bands (ev): -47.8260 -47.8259 -22.2275 -22.2261 -14.6071 -14.6025 -14.5948 -14.5923 -7.7821 -7.7802 -7.7602 -7.7590 -6.7671 -6.7616 -6.7414 -6.7381 -6.7307 -6.7270 6.0578 6.2057 8.6504 8.7027 9.3396 9.3904 9.7346 9.8619 10.2668 10.2708 10.7347 10.7761 11.0252 11.1946 12.3859 12.4931 13.9267 13.9800 14.1338 14.2707 15.3752 15.4096 15.8750 15.8760 17.4710 17.5484 k = 0.4113 0.2375 0.4938 ( 2374 PWs) bands (ev): -47.8260 -47.8259 -22.2276 -22.2261 -14.6072 -14.6024 -14.5951 -14.5925 -7.7821 -7.7803 -7.7607 -7.7593 -6.7671 -6.7616 -6.7418 -6.7381 -6.7310 -6.7270 6.0648 6.2161 8.6985 8.7570 9.3464 9.3887 9.7437 9.8874 10.2682 10.2730 10.7332 10.7847 11.0379 11.2272 12.2767 12.3845 13.9080 13.9534 14.0973 14.2176 15.3547 15.3970 15.8663 15.8702 17.4461 17.4982 k = 0.4073 0.2351 0.5070 ( 2373 PWs) bands (ev): -47.8260 -47.8259 -22.2276 -22.2261 -14.6073 -14.6022 -14.5954 -14.5925 -7.7822 -7.7804 -7.7612 -7.7595 -6.7672 -6.7615 -6.7422 -6.7382 -6.7313 -6.7271 6.0714 6.2254 8.7477 8.8129 9.3541 9.3865 9.7512 9.9135 10.2643 10.2811 10.7285 10.7910 11.0510 11.2606 12.1714 12.2806 13.8882 13.9245 14.0651 14.1678 15.3373 15.3868 15.8589 15.8647 17.4186 17.4457 k = 0.4032 0.2328 0.5202 ( 2372 PWs) bands (ev): -47.8260 -47.8259 -22.2276 -22.2261 -14.6075 -14.6020 -14.5957 -14.5925 -7.7822 -7.7805 -7.7617 -7.7598 -6.7673 -6.7615 -6.7426 -6.7381 -6.7315 -6.7272 6.0775 6.2336 8.7975 8.8700 9.3630 9.3836 9.7574 9.9403 10.2589 10.2909 10.7203 10.7948 11.0642 11.2942 12.0715 12.1831 13.8673 13.8947 14.0355 14.1210 15.3232 15.3792 15.8529 15.8596 17.3886 17.3917 k = 0.3992 0.2305 0.5334 ( 2372 PWs) bands (ev): -47.8260 -47.8259 -22.2276 -22.2261 -14.6076 -14.6019 -14.5959 -14.5925 -7.7822 -7.7806 -7.7622 -7.7600 -6.7673 -6.7615 -6.7429 -6.7381 -6.7318 -6.7273 6.0829 6.2406 8.8470 8.9277 9.3728 9.3802 9.7629 9.9678 10.2516 10.3021 10.7082 10.7962 11.0768 11.3271 11.9790 12.0934 13.8453 13.8651 14.0070 14.0770 15.3128 15.3743 15.8484 15.8548 17.3366 17.3562 k = 0.3952 0.2281 0.5465 ( 2373 PWs) bands (ev): -47.8260 -47.8258 -22.2277 -22.2262 -14.6077 -14.6019 -14.5961 -14.5925 -7.7822 -7.7807 -7.7626 -7.7601 -6.7674 -6.7615 -6.7432 -6.7381 -6.7320 -6.7274 6.0877 6.2463 8.8955 8.9852 9.3762 9.3835 9.7682 9.9962 10.2421 10.3145 10.6921 10.7953 11.0884 11.3582 11.8963 12.0133 13.8220 13.8365 13.9785 14.0355 15.3060 15.3723 15.8455 15.8505 17.2813 17.3218 k = 0.3911 0.2258 0.5597 ( 2372 PWs) bands (ev): -47.8260 -47.8258 -22.2277 -22.2262 -14.6078 -14.6019 -14.5962 -14.5925 -7.7821 -7.7808 -7.7631 -7.7603 -6.7674 -6.7616 -6.7434 -6.7381 -6.7322 -6.7275 6.0918 6.2506 8.9419 9.0414 9.3717 9.3947 9.7742 10.0256 10.2305 10.3274 10.6722 10.7923 11.0981 11.3853 11.8262 11.9443 13.7974 13.8092 13.9493 13.9962 15.3031 15.3733 15.8442 15.8468 17.2262 17.2856 k = 0.3871 0.2235 0.5729 ( 2366 PWs) bands (ev): -47.8260 -47.8258 -22.2276 -22.2261 -14.6079 -14.6018 -14.5962 -14.5924 -7.7820 -7.7809 -7.7636 -7.7604 -6.7675 -6.7616 -6.7436 -6.7380 -6.7324 -6.7276 6.0950 6.2534 8.9853 9.0952 9.3667 9.4058 9.7821 10.0561 10.2170 10.3401 10.6494 10.7875 11.1056 11.4052 11.7730 11.8877 13.7714 13.7832 13.9189 13.9590 15.3042 15.3773 15.8441 15.8449 17.1721 17.2481 k = 0.3831 0.2212 0.5860 ( 2364 PWs) bands (ev): -47.8260 -47.8258 -22.2276 -22.2261 -14.6080 -14.6019 -14.5961 -14.5923 -7.7819 -7.7810 -7.7641 -7.7605 -6.7675 -6.7617 -6.7438 -6.7380 -6.7326 -6.7277 6.0972 6.2546 9.0247 9.1450 9.3612 9.4155 9.7932 10.0876 10.2023 10.3514 10.6254 10.7816 11.1104 11.4137 11.7408 11.8444 13.7436 13.7585 13.8870 13.9237 15.3093 15.3844 15.8425 15.8476 17.1197 17.2102 k = 0.3790 0.2188 0.5992 ( 2368 PWs) bands (ev): -47.8260 -47.8258 -22.2276 -22.2262 -14.6082 -14.6021 -14.5961 -14.5923 -7.7817 -7.7810 -7.7646 -7.7606 -6.7675 -6.7618 -6.7439 -6.7379 -6.7327 -6.7279 6.0984 6.2541 9.0591 9.1885 9.3557 9.4225 9.8091 10.1193 10.1883 10.3591 10.6034 10.7749 11.1128 11.4086 11.7320 11.8144 13.7138 13.7346 13.8536 13.8900 15.3183 15.3945 15.8423 15.8526 17.0695 17.1723 k = 0.3750 0.2165 0.6124 ( 2364 PWs) bands (ev): -47.8260 -47.8258 -22.2276 -22.2261 -14.6082 -14.6022 -14.5960 -14.5922 -7.7815 -7.7811 -7.7650 -7.7606 -6.7675 -6.7619 -6.7440 -6.7379 -6.7327 -6.7280 6.0984 6.2517 9.0879 9.2223 9.3518 9.4254 9.8309 10.1448 10.1827 10.3604 10.5875 10.7683 11.1131 11.3926 11.7436 11.7974 13.6817 13.7109 13.8189 13.8579 15.3313 15.4077 15.8441 15.8601 17.0224 17.1355 k = 0.6250-0.0722 0.4082 ( 2364 PWs) bands (ev): -47.8260 -47.8258 -22.2276 -22.2261 -14.6082 -14.6022 -14.5960 -14.5922 -7.7815 -7.7811 -7.7650 -7.7606 -6.7675 -6.7619 -6.7440 -6.7379 -6.7327 -6.7280 6.0984 6.2517 9.0879 9.2223 9.3518 9.4254 9.8309 10.1448 10.1827 10.3604 10.5875 10.7683 11.1131 11.3926 11.7436 11.7974 13.6817 13.7109 13.8189 13.8579 15.3313 15.4077 15.8441 15.8601 17.0224 17.1355 k = 0.6181-0.0842 0.4082 ( 2368 PWs) bands (ev): -47.8260 -47.8258 -22.2276 -22.2262 -14.6084 -14.6026 -14.5958 -14.5921 -7.7812 -7.7811 -7.7658 -7.7607 -6.7675 -6.7620 -6.7440 -6.7379 -6.7328 -6.7283 6.0967 6.2450 9.1309 9.2675 9.3488 9.4268 9.8748 10.1621 10.2036 10.3555 10.5680 10.7579 11.1105 11.3599 11.7791 11.7828 13.6243 13.6688 13.7594 13.8043 15.3565 15.4331 15.8508 15.8761 16.9460 17.0732 k = 0.6111-0.0962 0.4082 ( 2372 PWs) bands (ev): -47.8260 -47.8258 -22.2276 -22.2263 -14.6086 -14.6030 -14.5955 -14.5920 -7.7812 -7.7806 -7.7665 -7.7608 -6.7676 -6.7622 -6.7440 -6.7378 -6.7328 -6.7285 6.0942 6.2369 9.1709 9.3076 9.3478 9.4295 9.9197 10.1667 10.2383 10.3505 10.5487 10.7489 11.1037 11.3307 11.7776 11.8172 13.5670 13.6233 13.7037 13.7510 15.3809 15.4588 15.8608 15.8939 16.8731 17.0114 k = 0.6042-0.1083 0.4082 ( 2380 PWs) bands (ev): -47.8260 -47.8258 -22.2277 -22.2264 -14.6088 -14.6034 -14.5953 -14.5919 -7.7813 -7.7801 -7.7673 -7.7609 -6.7676 -6.7624 -6.7440 -6.7378 -6.7329 -6.7288 6.0912 6.2276 9.2072 9.3363 9.3545 9.4336 9.9648 10.1675 10.2772 10.3447 10.5308 10.7417 11.0927 11.3052 11.7823 11.8581 13.5099 13.5729 13.6531 13.6977 15.4046 15.4847 15.8741 15.9133 16.8040 16.9512 k = 0.5972-0.1203 0.4082 ( 2380 PWs) bands (ev): -47.8260 -47.8258 -22.2277 -22.2264 -14.6089 -14.6038 -14.5950 -14.5918 -7.7813 -7.7795 -7.7680 -7.7611 -6.7676 -6.7627 -6.7439 -6.7377 -6.7330 -6.7291 6.0880 6.2174 9.2394 9.3428 9.3799 9.4393 10.0091 10.1664 10.3172 10.3376 10.5156 10.7368 11.0776 11.2835 11.7974 11.9017 13.4531 13.5180 13.6070 13.6443 15.4276 15.5109 15.8907 15.9342 16.7390 16.8932 k = 0.5903-0.1323 0.4082 ( 2382 PWs) bands (ev): -47.8260 -47.8258 -22.2277 -22.2265 -14.6090 -14.6042 -14.5947 -14.5917 -7.7812 -7.7789 -7.7687 -7.7613 -6.7675 -6.7629 -6.7437 -6.7377 -6.7331 -6.7293 6.0846 6.2066 9.2675 9.3457 9.4051 9.4465 10.0511 10.1639 10.3286 10.3565 10.5047 10.7348 11.0593 11.2656 11.8224 11.9481 13.3969 13.4603 13.5637 13.5904 15.4501 15.5373 15.9104 15.9562 16.6783 16.8381 k = 0.5833-0.1443 0.4082 ( 2382 PWs) bands (ev): -47.8260 -47.8258 -22.2276 -22.2265 -14.6091 -14.6046 -14.5944 -14.5916 -7.7812 -7.7784 -7.7694 -7.7616 -6.7675 -6.7632 -6.7436 -6.7377 -6.7332 -6.7296 6.0813 6.1955 9.2914 9.3494 9.4258 9.4550 10.0891 10.1599 10.3184 10.3937 10.4990 10.7363 11.0391 11.2511 11.8566 11.9973 13.3418 13.4016 13.5212 13.5358 15.4721 15.5637 15.9330 15.9792 16.6222 16.7860 k = 0.5764-0.1564 0.4082 ( 2384 PWs) bands (ev): -47.8260 -47.8258 -22.2276 -22.2266 -14.6092 -14.6050 -14.5941 -14.5915 -7.7811 -7.7778 -7.7700 -7.7619 -6.7675 -6.7635 -6.7433 -6.7377 -6.7332 -6.7298 6.0782 6.1842 9.3117 9.3544 9.4421 9.4644 10.1201 10.1544 10.3098 10.4271 10.4987 10.7415 11.0185 11.2399 11.8991 12.0492 13.2881 13.3431 13.4786 13.4803 15.4938 15.5898 15.9581 16.0029 16.5715 16.7375 k = 0.5694-0.1684 0.4082 ( 2378 PWs) bands (ev): -47.8259 -47.8258 -22.2275 -22.2266 -14.6092 -14.6053 -14.5937 -14.5914 -7.7810 -7.7772 -7.7705 -7.7622 -6.7674 -6.7637 -6.7431 -6.7377 -6.7333 -6.7301 6.0755 6.1729 9.3288 9.3608 9.4543 9.4740 10.1400 10.1475 10.3072 10.4551 10.5033 10.7504 10.9994 11.2313 11.9488 12.1035 13.2364 13.2858 13.4238 13.4350 15.5152 15.6152 15.9852 16.0266 16.5267 16.6928 k = 0.5625-0.1804 0.4082 ( 2376 PWs) bands (ev): -47.8259 -47.8258 -22.2275 -22.2266 -14.6092 -14.6057 -14.5934 -14.5913 -7.7808 -7.7767 -7.7709 -7.7626 -6.7674 -6.7640 -6.7428 -6.7377 -6.7333 -6.7303 6.0733 6.1618 9.3434 9.3685 9.4627 9.4834 10.1392 10.1458 10.3145 10.4769 10.5121 10.7612 10.9842 11.2249 12.0045 12.1600 13.1872 13.2302 13.3662 13.3903 15.5363 15.6393 16.0135 16.0497 16.4890 16.6525 k = 0.5556-0.1925 0.4082 ( 2382 PWs) bands (ev): -47.8259 -47.8259 -22.2275 -22.2267 -14.6092 -14.6061 -14.5932 -14.5913 -7.7807 -7.7764 -7.7712 -7.7630 -6.7673 -6.7643 -6.7425 -6.7378 -6.7333 -6.7306 6.0716 6.1510 9.3562 9.3773 9.4681 9.4918 10.1298 10.1394 10.3308 10.4923 10.5241 10.7709 10.9760 11.2199 12.0652 12.2181 13.1411 13.1769 13.3075 13.3443 15.5572 15.6616 16.0422 16.0711 16.4594 16.6171 k = 0.5486-0.2045 0.4082 ( 2388 PWs) bands (ev): -47.8259 -47.8259 -22.2275 -22.2268 -14.6093 -14.6065 -14.5929 -14.5913 -7.7804 -7.7762 -7.7713 -7.7635 -6.7672 -6.7646 -6.7422 -6.7379 -6.7333 -6.7308 6.0706 6.1405 9.3675 9.3870 9.4709 9.4987 10.1195 10.1261 10.3518 10.5020 10.5387 10.7752 10.9778 11.2156 12.1297 12.2772 13.0987 13.1265 13.2482 13.2971 15.5779 15.6813 16.0700 16.0896 16.4395 16.5872 k = 0.5417-0.2165 0.4082 ( 2388 PWs) bands (ev): -47.8259 -47.8259 -22.2275 -22.2268 -14.6092 -14.6068 -14.5927 -14.5913 -7.7802 -7.7762 -7.7711 -7.7640 -6.7672 -6.7649 -6.7418 -6.7381 -6.7333 -6.7311 6.0703 6.1306 9.3778 9.3974 9.4718 9.5038 10.1086 10.1104 10.3739 10.5070 10.5553 10.7720 10.9905 11.2112 12.1968 12.3364 13.0605 13.0793 13.1889 13.2491 15.5983 15.6977 16.0953 16.1042 16.4304 16.5636 k = 0.5347-0.2285 0.4082 ( 2390 PWs) bands (ev): -47.8259 -47.8259 -22.2274 -22.2269 -14.6092 -14.6072 -14.5925 -14.5913 -7.7799 -7.7764 -7.7708 -7.7646 -6.7670 -6.7651 -6.7415 -6.7382 -6.7332 -6.7313 6.0708 6.1213 9.3874 9.4078 9.4715 9.5066 10.0950 10.0977 10.3954 10.5082 10.5732 10.7619 11.0118 11.2059 12.2653 12.3945 13.0265 13.0358 13.1311 13.2010 15.6183 15.7102 16.1144 16.1164 16.4322 16.5468 k = 0.5278-0.2406 0.4082 ( 2390 PWs) bands (ev): -47.8259 -47.8259 -22.2274 -22.2270 -14.6091 -14.6075 -14.5922 -14.5913 -7.7796 -7.7766 -7.7703 -7.7651 -6.7669 -6.7654 -6.7411 -6.7385 -6.7331 -6.7315 6.0721 6.1126 9.3962 9.4175 9.4709 9.5072 10.0816 10.0872 10.4153 10.5063 10.5921 10.7471 11.0380 11.1988 12.3338 12.4495 12.9957 12.9962 13.0782 13.1539 15.6378 15.7182 16.1212 16.1319 16.4433 16.5367 k = 0.5208-0.2526 0.4082 ( 2382 PWs) bands (ev): -47.8259 -47.8259 -22.2272 -22.2269 -14.6089 -14.6077 -14.5920 -14.5913 -7.7793 -7.7770 -7.7697 -7.7658 -6.7668 -6.7656 -6.7407 -6.7387 -6.7330 -6.7318 6.0742 6.1047 9.4045 9.4251 9.4714 9.5053 10.0711 10.0777 10.4333 10.5019 10.6116 10.7297 11.0660 11.1894 12.4001 12.4983 12.9610 12.9645 13.0369 13.1095 15.6564 15.7213 16.1261 16.1411 16.4608 16.5317 k = 0.5139-0.2646 0.4082 ( 2362 PWs) bands (ev): -47.8259 -47.8259 -22.2270 -22.2267 -14.6086 -14.6078 -14.5917 -14.5912 -7.7790 -7.7774 -7.7690 -7.7664 -6.7666 -6.7659 -6.7404 -6.7390 -6.7328 -6.7320 6.0772 6.0976 9.4122 9.4288 9.4745 9.5011 10.0641 10.0697 10.4495 10.4953 10.6315 10.7109 11.0935 11.1769 12.4614 12.5357 12.9307 12.9316 13.0141 13.0701 15.6739 15.7195 16.1306 16.1445 16.4810 16.5290 k = 0.5069-0.2766 0.4082 ( 2362 PWs) bands (ev): -47.8259 -47.8259 -22.2269 -22.2268 -14.6084 -14.6080 -14.5915 -14.5913 -7.7786 -7.7778 -7.7684 -7.7670 -6.7665 -6.7661 -6.7400 -6.7393 -6.7326 -6.7322 6.0810 6.0912 9.4190 9.4283 9.4805 9.4951 10.0606 10.0639 10.4638 10.4867 10.6515 10.6914 11.1190 11.1611 12.5126 12.5539 12.9058 12.9078 13.0088 13.0386 15.6896 15.7132 16.1353 16.1436 16.5002 16.5245 k = 0.5000-0.2887 0.4082 ( 2346 PWs) bands (ev): -47.8259 -47.8259 -22.2267 -22.2267 -14.6081 -14.6081 -14.5912 -14.5912 -7.7782 -7.7782 -7.7677 -7.7677 -6.7663 -6.7663 -6.7397 -6.7397 -6.7324 -6.7324 6.0857 6.0857 9.4246 9.4246 9.4879 9.4879 10.0607 10.0607 10.4762 10.4762 10.6715 10.6715 11.1418 11.1418 12.5460 12.5460 12.8974 12.8974 13.0176 13.0176 15.7030 15.7030 16.1400 16.1400 16.5152 16.5152 Writing output data file HfSnPt.save init_run : 1.09s CPU 0.61s WALL ( 1 calls) electrons : 256.69s CPU 161.69s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.09s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 256.68s CPU 161.68s 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 : 0.24s CPU 0.14s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.20s CPU 0.29s WALL ( 334 calls) cegterg : 229.08s CPU 145.86s WALL ( 364 calls) Called by sum_band: Called by *egterg: h_psi : 156.65s CPU 90.04s WALL ( 6707 calls) s_psi : 6.64s CPU 3.79s WALL ( 6707 calls) g_psi : 0.17s CPU 0.12s WALL ( 6009 calls) cdiaghg : 73.31s CPU 54.11s WALL ( 6343 calls) cegterg:over : 6.83s CPU 4.32s WALL ( 6009 calls) cegterg:upda : 4.79s CPU 3.29s WALL ( 6009 calls) cegterg:last : 2.32s CPU 1.57s WALL ( 1123 calls) cdiaghg:chol : 4.04s CPU 2.96s WALL ( 6343 calls) cdiaghg:inve : 2.10s CPU 1.75s WALL ( 6343 calls) cdiaghg:para : 4.13s CPU 3.10s WALL ( 12686 calls) Called by h_psi: h_psi:vloc : 142.41s CPU 81.32s WALL ( 6707 calls) h_psi:vnl : 14.07s CPU 8.60s WALL ( 6707 calls) add_vuspsi : 9.00s CPU 5.24s WALL ( 6707 calls) General routines calbec : 5.02s CPU 3.35s WALL ( 6707 calls) fft : 0.11s CPU 0.05s WALL ( 19 calls) ffts : 0.01s CPU 0.01s WALL ( 4 calls) fftw : 134.45s CPU 76.25s WALL ( 665700 calls) interpolate : 0.02s CPU 0.01s WALL ( 4 calls) davcio : 0.29s CPU 0.42s WALL ( 668 calls) Parallel routines fft_scatter : 50.70s CPU 30.44s WALL ( 665723 calls) PWSCF : 4m30.02s CPU 3m 7.79s WALL This run was terminated on: 4: 4:31 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=