Program PWSCF v.5.4.0 starts on 11Feb2017 at 6:12:33 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: ./MnSnAu.save/ file Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D renormalized file Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 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 57 43 12 1743 1131 172 Max 58 44 13 1750 1154 177 Sum 2077 1573 439 62847 41151 6231 bravais-lattice index = 14 lattice parameter (alat) = 8.4494 a.u. unit-cell volume = 426.5480 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 3 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 424.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.449434 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 Mn read from file: /users/gautes/Pseudo/Mn.rel-pbe-oncvpsp.UPF MD5 check sum: d838f0974ec4eb0180564ac5264e0bcc Pseudo is Norm-conserving, Zval = 15.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 1464 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 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 Au read from file: /users/gautes/Pseudo/Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d39daeb1f194fdf5670f47ad6d8ea3dd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 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 Mn 15.00 54.93800 Mn( 1.00) Sn 14.00 118.71000 Sn( 1.00) Au 11.00 196.96660 Au( 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 0.4386792), 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 0.2122641), wk = 0.0029940 k( 136) = ( 0.0990566 0.0990566 0.1981132), wk = 0.0029940 k( 137) = ( 0.0919811 0.0919811 0.1839623), wk = 0.0029940 k( 138) = ( 0.0849057 0.0849057 0.1698113), wk = 0.0029940 k( 139) = ( 0.0778302 0.0778302 0.1556604), wk = 0.0029940 k( 140) = ( 0.0707547 0.0707547 0.1415094), wk = 0.0029940 k( 141) = ( 0.0636793 0.0636793 0.1273585), wk = 0.0029940 k( 142) = ( 0.0566038 0.0566038 0.1132075), wk = 0.0029940 k( 143) = ( 0.0495283 0.0495283 0.0990566), wk = 0.0029940 k( 144) = ( 0.0424528 0.0424528 0.0849057), wk = 0.0029940 k( 145) = ( 0.0353774 0.0353774 0.0707547), wk = 0.0029940 k( 146) = ( 0.0283019 0.0283019 0.0566038), wk = 0.0029940 k( 147) = ( 0.0212264 0.0212264 0.0424528), wk = 0.0029940 k( 148) = ( 0.0141509 0.0141509 0.0283019), wk = 0.0029940 k( 149) = ( 0.0070755 0.0070755 0.0141509), wk = 0.0029940 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029940 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029940 k( 152) = ( 0.0113636 0.0113636 0.0113636), wk = 0.0029940 k( 153) = ( 0.0227273 0.0227273 0.0227273), wk = 0.0029940 k( 154) = ( 0.0340909 0.0340909 0.0340909), wk = 0.0029940 k( 155) = ( 0.0454546 0.0454545 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 0.3295455 0.3295455), wk = 0.0029940 k( 181) = ( 0.3409091 0.3409091 0.3409091), wk = 0.0029940 k( 182) = ( 0.3522727 0.3522727 0.3522727), wk = 0.0029940 k( 183) = ( 0.3636364 0.3636364 0.3636364), wk = 0.0029940 k( 184) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0029940 k( 185) = ( 0.3863636 0.3863636 0.3863636), wk = 0.0029940 k( 186) = ( 0.3977273 0.3977273 0.3977273), wk = 0.0029940 k( 187) = ( 0.4090909 0.4090909 0.4090909), wk = 0.0029940 k( 188) = ( 0.4204545 0.4204545 0.4204545), wk = 0.0029940 k( 189) = ( 0.4318182 0.4318182 0.4318182), wk = 0.0029940 k( 190) = ( 0.4431818 0.4431818 0.4431818), wk = 0.0029940 k( 191) = ( 0.4545455 0.4545454 0.4545454), wk = 0.0029940 k( 192) = ( 0.4659091 0.4659091 0.4659091), wk = 0.0029940 k( 193) = ( 0.4772727 0.4772727 0.4772727), wk = 0.0029940 k( 194) = ( 0.4886364 0.4886364 0.4886364), wk = 0.0029940 k( 195) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029940 k( 196) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029940 k( 197) = ( 0.5040323 0.4919355 0.5040323), wk = 0.0029940 k( 198) = ( 0.5080645 0.4838710 0.5080645), wk = 0.0029940 k( 199) = ( 0.5120968 0.4758064 0.5120968), wk = 0.0029940 k( 200) = ( 0.5161290 0.4677419 0.5161290), wk = 0.0029940 k( 201) = ( 0.5201613 0.4596774 0.5201613), wk = 0.0029940 k( 202) = ( 0.5241936 0.4516129 0.5241936), wk = 0.0029940 k( 203) = ( 0.5282258 0.4435484 0.5282258), wk = 0.0029940 k( 204) = ( 0.5322581 0.4354839 0.5322581), wk = 0.0029940 k( 205) = ( 0.5362903 0.4274193 0.5362903), wk = 0.0029940 k( 206) = ( 0.5403226 0.4193548 0.5403226), wk = 0.0029940 k( 207) = ( 0.5443548 0.4112903 0.5443548), wk = 0.0029940 k( 208) = ( 0.5483871 0.4032258 0.5483871), wk = 0.0029940 k( 209) = ( 0.5524193 0.3951613 0.5524193), wk = 0.0029940 k( 210) = ( 0.5564516 0.3870968 0.5564516), wk = 0.0029940 k( 211) = ( 0.5604839 0.3790323 0.5604839), wk = 0.0029940 k( 212) = ( 0.5645161 0.3709677 0.5645161), wk = 0.0029940 k( 213) = ( 0.5685484 0.3629032 0.5685484), wk = 0.0029940 k( 214) = ( 0.5725807 0.3548387 0.5725807), wk = 0.0029940 k( 215) = ( 0.5766129 0.3467742 0.5766129), wk = 0.0029940 k( 216) = ( 0.5806452 0.3387097 0.5806452), wk = 0.0029940 k( 217) = ( 0.5846774 0.3306452 0.5846774), wk = 0.0029940 k( 218) = ( 0.5887097 0.3225806 0.5887097), wk = 0.0029940 k( 219) = ( 0.5927419 0.3145161 0.5927419), wk = 0.0029940 k( 220) = ( 0.5967742 0.3064516 0.5967742), wk = 0.0029940 k( 221) = ( 0.6008064 0.2983871 0.6008064), wk = 0.0029940 k( 222) = ( 0.6048387 0.2903226 0.6048387), wk = 0.0029940 k( 223) = ( 0.6088710 0.2822581 0.6088710), wk = 0.0029940 k( 224) = ( 0.6129032 0.2741935 0.6129032), wk = 0.0029940 k( 225) = ( 0.6169355 0.2661290 0.6169355), wk = 0.0029940 k( 226) = ( 0.6209677 0.2580645 0.6209677), wk = 0.0029940 k( 227) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0029940 k( 228) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0029940 k( 229) = ( 0.6180556 0.2500000 0.6319444), wk = 0.0029940 k( 230) = ( 0.6111111 0.2500000 0.6388889), wk = 0.0029940 k( 231) = ( 0.6041667 0.2500000 0.6458333), wk = 0.0029940 k( 232) = ( 0.5972222 0.2500000 0.6527778), wk = 0.0029940 k( 233) = ( 0.5902778 0.2500000 0.6597222), wk = 0.0029940 k( 234) = ( 0.5833333 0.2500000 0.6666667), wk = 0.0029940 k( 235) = ( 0.5763889 0.2500000 0.6736111), wk = 0.0029940 k( 236) = ( 0.5694444 0.2500000 0.6805556), wk = 0.0029940 k( 237) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0029940 k( 238) = ( 0.5555556 0.2500000 0.6944444), wk = 0.0029940 k( 239) = ( 0.5486111 0.2500000 0.7013889), wk = 0.0029940 k( 240) = ( 0.5416667 0.2500000 0.7083333), wk = 0.0029940 k( 241) = ( 0.5347222 0.2500000 0.7152778), wk = 0.0029940 k( 242) = ( 0.5277778 0.2500000 0.7222222), wk = 0.0029940 k( 243) = ( 0.5208333 0.2500000 0.7291667), wk = 0.0029940 k( 244) = ( 0.5138889 0.2500000 0.7361111), wk = 0.0029940 k( 245) = ( 0.5069444 0.2500000 0.7430556), wk = 0.0029940 k( 246) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0029940 k( 247) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0029940 k( 248) = ( 0.5000000 0.2569444 0.7430556), wk = 0.0029940 k( 249) = ( 0.5000000 0.2638889 0.7361111), wk = 0.0029940 k( 250) = ( 0.5000000 0.2708333 0.7291667), wk = 0.0029940 k( 251) = ( 0.5000000 0.2777778 0.7222222), wk = 0.0029940 k( 252) = ( 0.5000000 0.2847222 0.7152778), wk = 0.0029940 k( 253) = ( 0.5000000 0.2916667 0.7083333), wk = 0.0029940 k( 254) = ( 0.5000000 0.2986111 0.7013889), wk = 0.0029940 k( 255) = ( 0.5000000 0.3055556 0.6944444), wk = 0.0029940 k( 256) = ( 0.5000000 0.3125000 0.6875000), wk = 0.0029940 k( 257) = ( 0.5000000 0.3194444 0.6805556), wk = 0.0029940 k( 258) = ( 0.5000000 0.3263889 0.6736111), wk = 0.0029940 k( 259) = ( 0.5000000 0.3333333 0.6666667), wk = 0.0029940 k( 260) = ( 0.5000000 0.3402778 0.6597222), wk = 0.0029940 k( 261) = ( 0.5000000 0.3472222 0.6527778), wk = 0.0029940 k( 262) = ( 0.5000000 0.3541667 0.6458333), wk = 0.0029940 k( 263) = ( 0.5000000 0.3611111 0.6388889), wk = 0.0029940 k( 264) = ( 0.5000000 0.3680556 0.6319444), wk = 0.0029940 k( 265) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0029940 k( 266) = ( 0.5000000 0.3819444 0.6180556), wk = 0.0029940 k( 267) = ( 0.5000000 0.3888889 0.6111111), wk = 0.0029940 k( 268) = ( 0.5000000 0.3958333 0.6041667), wk = 0.0029940 k( 269) = ( 0.5000000 0.4027778 0.5972222), wk = 0.0029940 k( 270) = ( 0.5000000 0.4097222 0.5902778), wk = 0.0029940 k( 271) = ( 0.5000000 0.4166667 0.5833333), wk = 0.0029940 k( 272) = ( 0.5000000 0.4236111 0.5763889), wk = 0.0029940 k( 273) = ( 0.5000000 0.4305556 0.5694444), wk = 0.0029940 k( 274) = ( 0.5000000 0.4375000 0.5625000), wk = 0.0029940 k( 275) = ( 0.5000000 0.4444444 0.5555556), wk = 0.0029940 k( 276) = ( 0.5000000 0.4513889 0.5486111), wk = 0.0029940 k( 277) = ( 0.5000000 0.4583333 0.5416667), wk = 0.0029940 k( 278) = ( 0.5000000 0.4652778 0.5347222), wk = 0.0029940 k( 279) = ( 0.5000000 0.4722222 0.5277778), wk = 0.0029940 k( 280) = ( 0.5000000 0.4791667 0.5208333), wk = 0.0029940 k( 281) = ( 0.5000000 0.4861111 0.5138889), wk = 0.0029940 k( 282) = ( 0.5000000 0.4930556 0.5069444), wk = 0.0029940 k( 283) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029940 k( 284) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029940 k( 285) = ( 0.4959677 0.4959677 0.5080645), wk = 0.0029940 k( 286) = ( 0.4919355 0.4919355 0.5161290), wk = 0.0029940 k( 287) = ( 0.4879032 0.4879032 0.5241936), wk = 0.0029940 k( 288) = ( 0.4838710 0.4838710 0.5322581), wk = 0.0029940 k( 289) = ( 0.4798387 0.4798387 0.5403226), wk = 0.0029940 k( 290) = ( 0.4758064 0.4758064 0.5483871), wk = 0.0029940 k( 291) = ( 0.4717742 0.4717742 0.5564516), wk = 0.0029940 k( 292) = ( 0.4677419 0.4677419 0.5645161), wk = 0.0029940 k( 293) = ( 0.4637097 0.4637097 0.5725807), wk = 0.0029940 k( 294) = ( 0.4596774 0.4596774 0.5806452), wk = 0.0029940 k( 295) = ( 0.4556452 0.4556452 0.5887097), wk = 0.0029940 k( 296) = ( 0.4516129 0.4516129 0.5967742), wk = 0.0029940 k( 297) = ( 0.4475807 0.4475807 0.6048387), wk = 0.0029940 k( 298) = ( 0.4435484 0.4435484 0.6129032), wk = 0.0029940 k( 299) = ( 0.4395161 0.4395161 0.6209677), wk = 0.0029940 k( 300) = ( 0.4354839 0.4354839 0.6290323), wk = 0.0029940 k( 301) = ( 0.4314516 0.4314516 0.6370968), wk = 0.0029940 k( 302) = ( 0.4274193 0.4274193 0.6451613), wk = 0.0029940 k( 303) = ( 0.4233871 0.4233871 0.6532258), wk = 0.0029940 k( 304) = ( 0.4193548 0.4193548 0.6612903), wk = 0.0029940 k( 305) = ( 0.4153226 0.4153226 0.6693548), wk = 0.0029940 k( 306) = ( 0.4112903 0.4112903 0.6774193), wk = 0.0029940 k( 307) = ( 0.4072581 0.4072581 0.6854839), wk = 0.0029940 k( 308) = ( 0.4032258 0.4032258 0.6935484), wk = 0.0029940 k( 309) = ( 0.3991936 0.3991935 0.7016129), wk = 0.0029940 k( 310) = ( 0.3951613 0.3951613 0.7096774), wk = 0.0029940 k( 311) = ( 0.3911290 0.3911290 0.7177419), wk = 0.0029940 k( 312) = ( 0.3870968 0.3870968 0.7258064), wk = 0.0029940 k( 313) = ( 0.3830645 0.3830645 0.7338710), wk = 0.0029940 k( 314) = ( 0.3790323 0.3790323 0.7419355), wk = 0.0029940 k( 315) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0029940 k( 316) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0029940 k( 317) = ( 0.6180556 0.2361111 0.6180556), wk = 0.0029940 k( 318) = ( 0.6111111 0.2222222 0.6111111), wk = 0.0029940 k( 319) = ( 0.6041667 0.2083333 0.6041667), wk = 0.0029940 k( 320) = ( 0.5972222 0.1944444 0.5972222), wk = 0.0029940 k( 321) = ( 0.5902778 0.1805556 0.5902778), wk = 0.0029940 k( 322) = ( 0.5833333 0.1666667 0.5833333), wk = 0.0029940 k( 323) = ( 0.5763889 0.1527778 0.5763889), wk = 0.0029940 k( 324) = ( 0.5694444 0.1388889 0.5694444), wk = 0.0029940 k( 325) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0029940 k( 326) = ( 0.5555556 0.1111111 0.5555556), wk = 0.0029940 k( 327) = ( 0.5486111 0.0972222 0.5486111), wk = 0.0029940 k( 328) = ( 0.5416667 0.0833333 0.5416667), wk = 0.0029940 k( 329) = ( 0.5347222 0.0694444 0.5347222), wk = 0.0029940 k( 330) = ( 0.5277778 0.0555556 0.5277778), wk = 0.0029940 k( 331) = ( 0.5208333 0.0416667 0.5208333), wk = 0.0029940 k( 332) = ( 0.5138889 0.0277778 0.5138889), wk = 0.0029940 k( 333) = ( 0.5069444 0.0138889 0.5069444), wk = 0.0029940 k( 334) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029940 Dense grid: 62847 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 41151 G-vectors FFT dimensions: ( 50, 50, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.22 Mb ( 294, 48) NL pseudopotentials 0.23 Mb ( 147, 102) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1747) G-vector shells 0.00 Mb ( 455) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.86 Mb ( 294, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.15 Mb ( 102, 2, 48) The potential is recalculated from file : ./MnSnAu.save/charge-density.dat Starting wfc are 56 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.1 secs Computing kpt #: 2 total cpu time spent up to now is 3.6 secs Computing kpt #: 3 total cpu time spent up to now is 4.2 secs Computing kpt #: 4 total cpu time spent up to now is 4.8 secs Computing kpt #: 5 total cpu time spent up to now is 5.4 secs Computing kpt #: 6 total cpu time spent up to now is 6.0 secs Computing kpt #: 7 total cpu time spent up to now is 6.6 secs Computing kpt #: 8 total cpu time spent up to now is 7.1 secs Computing kpt #: 9 total cpu time spent up to now is 7.7 secs Computing kpt #: 10 total cpu time spent up to now is 8.2 secs Computing kpt #: 11 total cpu time spent up to now is 8.8 secs Computing kpt #: 12 total cpu time spent up to now is 9.6 secs Computing kpt #: 13 total cpu time spent up to now is 10.4 secs Computing kpt #: 14 total cpu time spent up to now is 11.3 secs Computing kpt #: 15 total cpu time spent up to now is 12.1 secs Computing kpt #: 16 total cpu time spent up to now is 12.9 secs Computing kpt #: 17 total cpu time spent up to now is 13.6 secs Computing kpt #: 18 total cpu time spent up to now is 14.4 secs Computing kpt #: 19 total cpu time spent up to now is 14.9 secs Computing kpt #: 20 total cpu time spent up to now is 15.5 secs Computing kpt #: 21 total cpu time spent up to now is 16.1 secs Computing kpt #: 22 total cpu time spent up to now is 16.6 secs Computing kpt #: 23 total cpu time spent up to now is 17.2 secs Computing kpt #: 24 total cpu time spent up to now is 17.8 secs Computing kpt #: 25 total cpu time spent up to now is 18.4 secs Computing kpt #: 26 total cpu time spent up to now is 19.0 secs Computing kpt #: 27 total cpu time spent up to now is 19.5 secs Computing kpt #: 28 total cpu time spent up to now is 20.1 secs Computing kpt #: 29 total cpu time spent up to now is 20.7 secs Computing kpt #: 30 total cpu time spent up to now is 21.3 secs Computing kpt #: 31 total cpu time spent up to now is 21.8 secs Computing kpt #: 32 total cpu time spent up to now is 22.4 secs Computing kpt #: 33 total cpu time spent up to now is 23.0 secs Computing kpt #: 34 total cpu time spent up to now is 23.5 secs Computing kpt #: 35 total cpu time spent up to now is 24.1 secs Computing kpt #: 36 total cpu time spent up to now is 24.7 secs Computing kpt #: 37 total cpu time spent up to now is 25.2 secs Computing kpt #: 38 total cpu time spent up to now is 25.8 secs Computing kpt #: 39 total cpu time spent up to now is 26.4 secs Computing kpt #: 40 total cpu time spent up to now is 27.0 secs Computing kpt #: 41 total cpu time spent up to now is 27.6 secs Computing kpt #: 42 total cpu time spent up to now is 28.2 secs Computing kpt #: 43 total cpu time spent up to now is 28.8 secs Computing kpt #: 44 total cpu time spent up to now is 29.4 secs Computing kpt #: 45 total cpu time spent up to now is 30.0 secs Computing kpt #: 46 total cpu time spent up to now is 30.5 secs Computing kpt #: 47 total cpu time spent up to now is 31.0 secs Computing kpt #: 48 total cpu time spent up to now is 31.6 secs Computing kpt #: 49 total cpu time spent up to now is 32.1 secs Computing kpt #: 50 total cpu time spent up to now is 32.6 secs Computing kpt #: 51 total cpu time spent up to now is 33.2 secs Computing kpt #: 52 total cpu time spent up to now is 33.7 secs Computing kpt #: 53 total cpu time spent up to now is 34.3 secs Computing kpt #: 54 total cpu time spent up to now is 34.8 secs Computing kpt #: 55 total cpu time spent up to now is 35.4 secs Computing kpt #: 56 total cpu time spent up to now is 36.0 secs Computing kpt #: 57 total cpu time spent up to now is 36.5 secs Computing kpt #: 58 total cpu time spent up to now is 37.0 secs Computing kpt #: 59 total cpu time spent up to now is 37.6 secs Computing kpt #: 60 total cpu time spent up to now is 38.2 secs Computing kpt #: 61 total cpu time spent up to now is 38.7 secs Computing kpt #: 62 total cpu time spent up to now is 39.2 secs Computing kpt #: 63 total cpu time spent up to now is 39.8 secs Computing kpt #: 64 total cpu time spent up to now is 40.4 secs Computing kpt #: 65 total cpu time spent up to now is 41.0 secs Computing kpt #: 66 total cpu time spent up to now is 41.6 secs Computing kpt #: 67 total cpu time spent up to now is 42.2 secs Computing kpt #: 68 total cpu time spent up to now is 42.8 secs Computing kpt #: 69 total cpu time spent up to now is 43.3 secs Computing kpt #: 70 total cpu time spent up to now is 43.9 secs Computing kpt #: 71 total cpu time spent up to now is 44.5 secs Computing kpt #: 72 total cpu time spent up to now is 45.1 secs Computing kpt #: 73 total cpu time spent up to now is 46.0 secs Computing kpt #: 74 total cpu time spent up to now is 46.8 secs Computing kpt #: 75 total cpu time spent up to now is 47.5 secs Computing kpt #: 76 total cpu time spent up to now is 48.3 secs Computing kpt #: 77 total cpu time spent up to now is 49.0 secs Computing kpt #: 78 total cpu time spent up to now is 49.9 secs Computing kpt #: 79 total cpu time spent up to now is 50.5 secs Computing kpt #: 80 total cpu time spent up to now is 51.3 secs Computing kpt #: 81 total cpu time spent up to now is 51.9 secs Computing kpt #: 82 total cpu time spent up to now is 52.5 secs Computing kpt #: 83 total cpu time spent up to now is 53.1 secs Computing kpt #: 84 total cpu time spent up to now is 53.7 secs Computing kpt #: 85 total cpu time spent up to now is 54.3 secs Computing kpt #: 86 total cpu time spent up to now is 54.9 secs Computing kpt #: 87 total cpu time spent up to now is 55.5 secs Computing kpt #: 88 total cpu time spent up to now is 56.1 secs Computing kpt #: 89 total cpu time spent up to now is 56.6 secs Computing kpt #: 90 total cpu time spent up to now is 57.2 secs Computing kpt #: 91 total cpu time spent up to now is 57.8 secs Computing kpt #: 92 total cpu time spent up to now is 58.4 secs Computing kpt #: 93 total cpu time spent up to now is 58.9 secs Computing kpt #: 94 total cpu time spent up to now is 59.4 secs Computing kpt #: 95 total cpu time spent up to now is 60.0 secs Computing kpt #: 96 total cpu time spent up to now is 60.5 secs Computing kpt #: 97 total cpu time spent up to now is 61.0 secs Computing kpt #: 98 total cpu time spent up to now is 61.6 secs Computing kpt #: 99 total cpu time spent up to now is 62.1 secs Computing kpt #: 100 total cpu time spent up to now is 62.7 secs Computing kpt #: 101 total cpu time spent up to now is 63.2 secs Computing kpt #: 102 total cpu time spent up to now is 63.8 secs Computing kpt #: 103 total cpu time spent up to now is 64.3 secs Computing kpt #: 104 total cpu time spent up to now is 64.8 secs Computing kpt #: 105 total cpu time spent up to now is 65.4 secs Computing kpt #: 106 total cpu time spent up to now is 66.0 secs Computing kpt #: 107 total cpu time spent up to now is 66.5 secs Computing kpt #: 108 total cpu time spent up to now is 67.1 secs Computing kpt #: 109 total cpu time spent up to now is 67.7 secs Computing kpt #: 110 total cpu time spent up to now is 68.2 secs Computing kpt #: 111 total cpu time spent up to now is 68.9 secs Computing kpt #: 112 total cpu time spent up to now is 69.5 secs Computing kpt #: 113 total cpu time spent up to now is 70.1 secs Computing kpt #: 114 total cpu time spent up to now is 70.7 secs Computing kpt #: 115 total cpu time spent up to now is 71.3 secs Computing kpt #: 116 total cpu time spent up to now is 71.9 secs Computing kpt #: 117 total cpu time spent up to now is 72.4 secs Computing kpt #: 118 total cpu time spent up to now is 73.0 secs Computing kpt #: 119 total cpu time spent up to now is 73.7 secs Computing kpt #: 120 total cpu time spent up to now is 74.2 secs Computing kpt #: 121 total cpu time spent up to now is 74.8 secs Computing kpt #: 122 total cpu time spent up to now is 75.5 secs Computing kpt #: 123 total cpu time spent up to now is 76.0 secs Computing kpt #: 124 total cpu time spent up to now is 76.7 secs Computing kpt #: 125 total cpu time spent up to now is 77.3 secs Computing kpt #: 126 total cpu time spent up to now is 77.9 secs Computing kpt #: 127 total cpu time spent up to now is 78.4 secs Computing kpt #: 128 total cpu time spent up to now is 79.1 secs Computing kpt #: 129 total cpu time spent up to now is 79.7 secs Computing kpt #: 130 total cpu time spent up to now is 80.3 secs Computing kpt #: 131 total cpu time spent up to now is 80.9 secs Computing kpt #: 132 total cpu time spent up to now is 81.5 secs Computing kpt #: 133 total cpu time spent up to now is 82.2 secs Computing kpt #: 134 total cpu time spent up to now is 82.8 secs Computing kpt #: 135 total cpu time spent up to now is 83.4 secs Computing kpt #: 136 total cpu time spent up to now is 83.9 secs Computing kpt #: 137 total cpu time spent up to now is 84.5 secs Computing kpt #: 138 total cpu time spent up to now is 85.1 secs Computing kpt #: 139 total cpu time spent up to now is 85.6 secs Computing kpt #: 140 total cpu time spent up to now is 86.3 secs Computing kpt #: 141 total cpu time spent up to now is 86.9 secs Computing kpt #: 142 total cpu time spent up to now is 87.4 secs Computing kpt #: 143 total cpu time spent up to now is 88.0 secs Computing kpt #: 144 total cpu time spent up to now is 88.6 secs Computing kpt #: 145 total cpu time spent up to now is 89.1 secs Computing kpt #: 146 total cpu time spent up to now is 89.7 secs Computing kpt #: 147 total cpu time spent up to now is 90.3 secs Computing kpt #: 148 total cpu time spent up to now is 90.8 secs Computing kpt #: 149 total cpu time spent up to now is 91.4 secs Computing kpt #: 150 total cpu time spent up to now is 92.0 secs Computing kpt #: 151 total cpu time spent up to now is 92.6 secs Computing kpt #: 152 total cpu time spent up to now is 93.1 secs Computing kpt #: 153 total cpu time spent up to now is 93.7 secs Computing kpt #: 154 total cpu time spent up to now is 94.3 secs Computing kpt #: 155 total cpu time spent up to now is 94.9 secs Computing kpt #: 156 total cpu time spent up to now is 95.4 secs Computing kpt #: 157 total cpu time spent up to now is 96.0 secs Computing kpt #: 158 total cpu time spent up to now is 96.6 secs Computing kpt #: 159 total cpu time spent up to now is 97.2 secs Computing kpt #: 160 total cpu time spent up to now is 97.8 secs Computing kpt #: 161 total cpu time spent up to now is 98.5 secs Computing kpt #: 162 total cpu time spent up to now is 99.1 secs Computing kpt #: 163 total cpu time spent up to now is 99.6 secs Computing kpt #: 164 total cpu time spent up to now is 100.2 secs Computing kpt #: 165 total cpu time spent up to now is 100.7 secs Computing kpt #: 166 total cpu time spent up to now is 101.3 secs Computing kpt #: 167 total cpu time spent up to now is 101.8 secs Computing kpt #: 168 total cpu time spent up to now is 102.4 secs Computing kpt #: 169 total cpu time spent up to now is 102.9 secs Computing kpt #: 170 total cpu time spent up to now is 103.5 secs Computing kpt #: 171 total cpu time spent up to now is 104.1 secs Computing kpt #: 172 total cpu time spent up to now is 104.6 secs Computing kpt #: 173 total cpu time spent up to now is 105.2 secs Computing kpt #: 174 total cpu time spent up to now is 105.7 secs Computing kpt #: 175 total cpu time spent up to now is 106.2 secs Computing kpt #: 176 total cpu time spent up to now is 106.8 secs Computing kpt #: 177 total cpu time spent up to now is 107.4 secs Computing kpt #: 178 total cpu time spent up to now is 107.9 secs Computing kpt #: 179 total cpu time spent up to now is 108.5 secs Computing kpt #: 180 total cpu time spent up to now is 109.0 secs Computing kpt #: 181 total cpu time spent up to now is 109.6 secs Computing kpt #: 182 total cpu time spent up to now is 110.2 secs Computing kpt #: 183 total cpu time spent up to now is 110.8 secs Computing kpt #: 184 total cpu time spent up to now is 111.3 secs Computing kpt #: 185 total cpu time spent up to now is 111.9 secs Computing kpt #: 186 total cpu time spent up to now is 112.4 secs Computing kpt #: 187 total cpu time spent up to now is 113.0 secs Computing kpt #: 188 total cpu time spent up to now is 113.5 secs Computing kpt #: 189 total cpu time spent up to now is 114.1 secs Computing kpt #: 190 total cpu time spent up to now is 114.6 secs Computing kpt #: 191 total cpu time spent up to now is 115.2 secs Computing kpt #: 192 total cpu time spent up to now is 115.7 secs Computing kpt #: 193 total cpu time spent up to now is 116.3 secs Computing kpt #: 194 total cpu time spent up to now is 116.9 secs Computing kpt #: 195 total cpu time spent up to now is 117.4 secs Computing kpt #: 196 total cpu time spent up to now is 118.0 secs Computing kpt #: 197 total cpu time spent up to now is 118.5 secs Computing kpt #: 198 total cpu time spent up to now is 119.1 secs Computing kpt #: 199 total cpu time spent up to now is 119.6 secs Computing kpt #: 200 total cpu time spent up to now is 120.2 secs Computing kpt #: 201 total cpu time spent up to now is 120.8 secs Computing kpt #: 202 total cpu time spent up to now is 121.5 secs Computing kpt #: 203 total cpu time spent up to now is 122.1 secs Computing kpt #: 204 total cpu time spent up to now is 122.7 secs Computing kpt #: 205 total cpu time spent up to now is 123.2 secs Computing kpt #: 206 total cpu time spent up to now is 123.8 secs Computing kpt #: 207 total cpu time spent up to now is 124.5 secs Computing kpt #: 208 total cpu time spent up to now is 125.0 secs Computing kpt #: 209 total cpu time spent up to now is 125.6 secs Computing kpt #: 210 total cpu time spent up to now is 126.3 secs Computing kpt #: 211 total cpu time spent up to now is 126.8 secs Computing kpt #: 212 total cpu time spent up to now is 127.4 secs Computing kpt #: 213 total cpu time spent up to now is 128.1 secs Computing kpt #: 214 total cpu time spent up to now is 128.6 secs Computing kpt #: 215 total cpu time spent up to now is 129.2 secs Computing kpt #: 216 total cpu time spent up to now is 129.8 secs Computing kpt #: 217 total cpu time spent up to now is 130.4 secs Computing kpt #: 218 total cpu time spent up to now is 130.9 secs Computing kpt #: 219 total cpu time spent up to now is 131.5 secs Computing kpt #: 220 total cpu time spent up to now is 132.1 secs Computing kpt #: 221 total cpu time spent up to now is 132.7 secs Computing kpt #: 222 total cpu time spent up to now is 133.2 secs Computing kpt #: 223 total cpu time spent up to now is 133.7 secs Computing kpt #: 224 total cpu time spent up to now is 134.3 secs Computing kpt #: 225 total cpu time spent up to now is 134.8 secs Computing kpt #: 226 total cpu time spent up to now is 135.4 secs Computing kpt #: 227 total cpu time spent up to now is 135.9 secs Computing kpt #: 228 total cpu time spent up to now is 136.5 secs Computing kpt #: 229 total cpu time spent up to now is 137.0 secs Computing kpt #: 230 total cpu time spent up to now is 137.5 secs Computing kpt #: 231 total cpu time spent up to now is 138.0 secs Computing kpt #: 232 total cpu time spent up to now is 138.6 secs Computing kpt #: 233 total cpu time spent up to now is 139.2 secs Computing kpt #: 234 total cpu time spent up to now is 139.7 secs Computing kpt #: 235 total cpu time spent up to now is 140.3 secs Computing kpt #: 236 total cpu time spent up to now is 140.9 secs Computing kpt #: 237 total cpu time spent up to now is 141.5 secs Computing kpt #: 238 total cpu time spent up to now is 142.0 secs Computing kpt #: 239 total cpu time spent up to now is 142.7 secs Computing kpt #: 240 total cpu time spent up to now is 143.3 secs Computing kpt #: 241 total cpu time spent up to now is 143.9 secs Computing kpt #: 242 total cpu time spent up to now is 144.5 secs Computing kpt #: 243 total cpu time spent up to now is 145.1 secs Computing kpt #: 244 total cpu time spent up to now is 145.8 secs Computing kpt #: 245 total cpu time spent up to now is 146.6 secs Computing kpt #: 246 total cpu time spent up to now is 147.3 secs Computing kpt #: 247 total cpu time spent up to now is 148.1 secs Computing kpt #: 248 total cpu time spent up to now is 148.8 secs Computing kpt #: 249 total cpu time spent up to now is 149.5 secs Computing kpt #: 250 total cpu time spent up to now is 150.3 secs Computing kpt #: 251 total cpu time spent up to now is 151.1 secs Computing kpt #: 252 total cpu time spent up to now is 151.8 secs Computing kpt #: 253 total cpu time spent up to now is 152.7 secs Computing kpt #: 254 total cpu time spent up to now is 153.4 secs Computing kpt #: 255 total cpu time spent up to now is 154.2 secs Computing kpt #: 256 total cpu time spent up to now is 154.9 secs Computing kpt #: 257 total cpu time spent up to now is 155.6 secs Computing kpt #: 258 total cpu time spent up to now is 156.4 secs Computing kpt #: 259 total cpu time spent up to now is 157.1 secs Computing kpt #: 260 total cpu time spent up to now is 157.7 secs Computing kpt #: 261 total cpu time spent up to now is 158.5 secs Computing kpt #: 262 total cpu time spent up to now is 159.2 secs Computing kpt #: 263 total cpu time spent up to now is 160.0 secs Computing kpt #: 264 total cpu time spent up to now is 160.7 secs Computing kpt #: 265 total cpu time spent up to now is 161.5 secs Computing kpt #: 266 total cpu time spent up to now is 162.2 secs Computing kpt #: 267 total cpu time spent up to now is 162.9 secs Computing kpt #: 268 total cpu time spent up to now is 163.6 secs Computing kpt #: 269 total cpu time spent up to now is 164.3 secs Computing kpt #: 270 total cpu time spent up to now is 165.0 secs Computing kpt #: 271 total cpu time spent up to now is 165.6 secs Computing kpt #: 272 total cpu time spent up to now is 166.3 secs Computing kpt #: 273 total cpu time spent up to now is 166.9 secs Computing kpt #: 274 total cpu time spent up to now is 167.5 secs Computing kpt #: 275 total cpu time spent up to now is 168.1 secs Computing kpt #: 276 total cpu time spent up to now is 168.8 secs Computing kpt #: 277 total cpu time spent up to now is 169.3 secs Computing kpt #: 278 total cpu time spent up to now is 169.9 secs Computing kpt #: 279 total cpu time spent up to now is 170.5 secs Computing kpt #: 280 total cpu time spent up to now is 171.1 secs Computing kpt #: 281 total cpu time spent up to now is 171.7 secs Computing kpt #: 282 total cpu time spent up to now is 172.3 secs Computing kpt #: 283 total cpu time spent up to now is 172.8 secs Computing kpt #: 284 total cpu time spent up to now is 173.4 secs Computing kpt #: 285 total cpu time spent up to now is 174.1 secs Computing kpt #: 286 total cpu time spent up to now is 174.7 secs Computing kpt #: 287 total cpu time spent up to now is 175.3 secs Computing kpt #: 288 total cpu time spent up to now is 175.8 secs Computing kpt #: 289 total cpu time spent up to now is 176.4 secs Computing kpt #: 290 total cpu time spent up to now is 177.0 secs Computing kpt #: 291 total cpu time spent up to now is 177.6 secs Computing kpt #: 292 total cpu time spent up to now is 178.3 secs Computing kpt #: 293 total cpu time spent up to now is 178.9 secs Computing kpt #: 294 total cpu time spent up to now is 179.6 secs Computing kpt #: 295 total cpu time spent up to now is 180.2 secs Computing kpt #: 296 total cpu time spent up to now is 180.8 secs Computing kpt #: 297 total cpu time spent up to now is 181.3 secs Computing kpt #: 298 total cpu time spent up to now is 181.9 secs Computing kpt #: 299 total cpu time spent up to now is 182.5 secs Computing kpt #: 300 total cpu time spent up to now is 183.1 secs Computing kpt #: 301 total cpu time spent up to now is 183.7 secs Computing kpt #: 302 total cpu time spent up to now is 184.3 secs Computing kpt #: 303 total cpu time spent up to now is 184.8 secs Computing kpt #: 304 total cpu time spent up to now is 185.4 secs Computing kpt #: 305 total cpu time spent up to now is 185.9 secs Computing kpt #: 306 total cpu time spent up to now is 186.5 secs Computing kpt #: 307 total cpu time spent up to now is 187.0 secs Computing kpt #: 308 total cpu time spent up to now is 187.6 secs Computing kpt #: 309 total cpu time spent up to now is 188.1 secs Computing kpt #: 310 total cpu time spent up to now is 188.7 secs Computing kpt #: 311 total cpu time spent up to now is 189.3 secs Computing kpt #: 312 total cpu time spent up to now is 189.8 secs Computing kpt #: 313 total cpu time spent up to now is 190.3 secs Computing kpt #: 314 total cpu time spent up to now is 190.9 secs Computing kpt #: 315 total cpu time spent up to now is 191.5 secs Computing kpt #: 316 total cpu time spent up to now is 192.0 secs Computing kpt #: 317 total cpu time spent up to now is 192.6 secs Computing kpt #: 318 total cpu time spent up to now is 193.1 secs Computing kpt #: 319 total cpu time spent up to now is 193.7 secs Computing kpt #: 320 total cpu time spent up to now is 194.3 secs Computing kpt #: 321 total cpu time spent up to now is 194.9 secs Computing kpt #: 322 total cpu time spent up to now is 195.5 secs Computing kpt #: 323 total cpu time spent up to now is 196.0 secs Computing kpt #: 324 total cpu time spent up to now is 196.6 secs Computing kpt #: 325 total cpu time spent up to now is 197.1 secs Computing kpt #: 326 total cpu time spent up to now is 197.7 secs Computing kpt #: 327 total cpu time spent up to now is 198.2 secs Computing kpt #: 328 total cpu time spent up to now is 198.8 secs Computing kpt #: 329 total cpu time spent up to now is 199.4 secs Computing kpt #: 330 total cpu time spent up to now is 199.9 secs Computing kpt #: 331 total cpu time spent up to now is 200.4 secs Computing kpt #: 332 total cpu time spent up to now is 201.0 secs Computing kpt #: 333 total cpu time spent up to now is 201.5 secs Computing kpt #: 334 total cpu time spent up to now is 202.1 secs ethr = 2.50E-08, avg # of iterations = 16.3 total cpu time spent up to now is 202.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5065 PWs) bands (ev): -66.1113 -66.1113 -35.9099 -35.9099 -34.7092 -34.7092 -34.7092 -34.7092 -9.9140 -9.9140 -9.9140 -9.9140 -8.8933 -8.8933 -8.8760 -8.8760 -8.8760 -8.8760 2.0552 2.0552 5.8317 5.8317 5.8317 5.8317 6.8362 6.8362 7.4545 7.4545 7.4545 7.4545 11.1494 11.1494 11.3817 11.3817 11.3817 11.3817 12.1093 12.1093 12.1093 12.1093 14.0794 14.0794 15.0596 15.0596 15.4719 15.4719 15.4719 15.4719 k = 0.0100-0.0058 0.0082 ( 5065 PWs) bands (ev): -66.1113 -66.1113 -35.9099 -35.9099 -34.7092 -34.7092 -34.7092 -34.7092 -9.9140 -9.9140 -9.9139 -9.9139 -8.8933 -8.8933 -8.8760 -8.8760 -8.8759 -8.8759 2.0566 2.0566 5.8285 5.8285 5.8350 5.8350 6.8361 6.8361 7.4491 7.4491 7.4600 7.4600 11.1478 11.1478 11.3794 11.3794 11.3815 11.3815 12.1069 12.1069 12.1111 12.1111 14.0715 14.0715 15.0608 15.0608 15.4645 15.4645 15.4788 15.4788 k = 0.0200-0.0115 0.0163 ( 5065 PWs) bands (ev): -66.1113 -66.1113 -35.9099 -35.9099 -34.7092 -34.7092 -34.7092 -34.7092 -9.9141 -9.9141 -9.9138 -9.9138 -8.8933 -8.8933 -8.8761 -8.8761 -8.8758 -8.8758 2.0610 2.0610 5.8253 5.8253 5.8384 5.8384 6.8360 6.8360 7.4437 7.4437 7.4655 7.4655 11.1432 11.1432 11.3738 11.3738 11.3796 11.3796 12.1041 12.1041 12.1124 12.1124 14.0487 14.0487 15.0622 15.0622 15.4432 15.4432 15.4998 15.4998 k = 0.0300-0.0173 0.0245 ( 5061 PWs) bands (ev): -66.1109 -66.1109 -35.9099 -35.9099 -34.7092 -34.7092 -34.7092 -34.7092 -9.9141 -9.9141 -9.9138 -9.9138 -8.8932 -8.8932 -8.8762 -8.8762 -8.8757 -8.8757 2.0682 2.0682 5.8221 5.8221 5.8419 5.8419 6.8357 6.8357 7.4385 7.4385 7.4710 7.4710 11.1367 11.1367 11.3656 11.3656 11.3786 11.3786 12.1006 12.1006 12.1132 12.1132 14.0136 14.0136 15.0596 15.0596 15.4089 15.4089 15.5372 15.5372 k = 0.0400-0.0231 0.0327 ( 5085 PWs) bands (ev): -66.1131 -66.1131 -35.9100 -35.9100 -34.7093 -34.7093 -34.7093 -34.7093 -9.9142 -9.9142 -9.9137 -9.9137 -8.8932 -8.8932 -8.8762 -8.8762 -8.8756 -8.8756 2.0783 2.0783 5.8188 5.8188 5.8456 5.8456 6.8353 6.8353 7.4333 7.4333 7.4763 7.4763 11.1196 11.1196 11.3480 11.3480 11.3640 11.3641 12.0935 12.0935 12.1099 12.1099 13.9692 13.9692 15.0470 15.0470 15.3618 15.3618 15.5920 15.5920 k = 0.0500-0.0289 0.0408 ( 5089 PWs) bands (ev): -66.1135 -66.1135 -35.9100 -35.9100 -34.7093 -34.7093 -34.7093 -34.7093 -9.9142 -9.9142 -9.9136 -9.9136 -8.8932 -8.8932 -8.8763 -8.8763 -8.8755 -8.8755 2.0913 2.0913 5.8153 5.8153 5.8496 5.8496 6.8349 6.8349 7.4283 7.4283 7.4816 7.4816 11.1046 11.1046 11.3321 11.3321 11.3572 11.3572 12.0874 12.0874 12.1076 12.1076 13.9188 13.9188 15.0243 15.0243 15.3046 15.3046 15.6634 15.6634 k = 0.0600-0.0346 0.0490 ( 5101 PWs) bands (ev): -66.1146 -66.1146 -35.9100 -35.9100 -34.7094 -34.7094 -34.7093 -34.7093 -9.9143 -9.9143 -9.9135 -9.9135 -8.8931 -8.8931 -8.8763 -8.8763 -8.8754 -8.8754 2.1072 2.1072 5.8117 5.8117 5.8539 5.8539 6.8344 6.8344 7.4236 7.4236 7.4868 7.4868 11.0833 11.0833 11.3106 11.3106 11.3454 11.3454 12.0812 12.0812 12.1049 12.1049 13.8648 13.8648 14.9900 14.9900 15.2380 15.2380 15.7486 15.7486 k = 0.0700-0.0404 0.0572 ( 5101 PWs) bands (ev): -66.1146 -66.1146 -35.9100 -35.9100 -34.7094 -34.7094 -34.7093 -34.7093 -9.9143 -9.9143 -9.9134 -9.9134 -8.8931 -8.8931 -8.8764 -8.8764 -8.8752 -8.8752 2.1259 2.1259 5.8078 5.8078 5.8584 5.8584 6.8339 6.8339 7.4192 7.4192 7.4920 7.4920 11.0609 11.0609 11.2903 11.2903 11.3369 11.3369 12.0761 12.0761 12.1032 12.1032 13.8095 13.8095 14.9461 14.9461 15.1644 15.1644 15.8445 15.8445 k = 0.0800-0.0462 0.0653 ( 5101 PWs) bands (ev): -66.1146 -66.1146 -35.9100 -35.9100 -34.7094 -34.7094 -34.7093 -34.7093 -9.9144 -9.9144 -9.9133 -9.9133 -8.8930 -8.8930 -8.8764 -8.8764 -8.8751 -8.8751 2.1475 2.1475 5.8036 5.8036 5.8633 5.8633 6.8334 6.8334 7.4152 7.4152 7.4970 7.4970 11.0341 11.0341 11.2685 11.2685 11.3272 11.3272 12.0706 12.0706 12.1009 12.1009 13.7540 13.7540 14.8933 14.8933 15.0846 15.0846 15.9479 15.9479 k = 0.0900-0.0520 0.0735 ( 5093 PWs) bands (ev): -66.1138 -66.1138 -35.9100 -35.9100 -34.7094 -34.7094 -34.7093 -34.7093 -9.9144 -9.9144 -9.9133 -9.9133 -8.8929 -8.8929 -8.8764 -8.8764 -8.8750 -8.8750 2.1718 2.1718 5.7992 5.7992 5.8686 5.8686 6.8329 6.8329 7.4116 7.4116 7.5021 7.5021 11.0036 11.0036 11.2467 11.2467 11.3172 11.3172 12.0682 12.0682 12.1019 12.1019 13.6996 13.6996 14.8330 14.8330 15.0002 15.0002 16.0556 16.0556 k = 0.1000-0.0577 0.0816 ( 5093 PWs) bands (ev): -66.1137 -66.1137 -35.9100 -35.9100 -34.7094 -34.7094 -34.7093 -34.7093 -9.9144 -9.9144 -9.9132 -9.9132 -8.8928 -8.8928 -8.8765 -8.8765 -8.8749 -8.8749 2.1989 2.1989 5.7944 5.7944 5.8742 5.8742 6.8325 6.8325 7.4082 7.4082 7.5069 7.5069 10.9672 10.9672 11.2234 11.2234 11.3053 11.3053 12.0620 12.0620 12.0983 12.0983 13.6467 13.6467 14.7658 14.7658 14.9119 14.9119 16.1637 16.1637 k = 0.1100-0.0635 0.0898 ( 5093 PWs) bands (ev): -66.1137 -66.1137 -35.9100 -35.9100 -34.7094 -34.7094 -34.7093 -34.7093 -9.9144 -9.9144 -9.9131 -9.9131 -8.8927 -8.8927 -8.8765 -8.8765 -8.8747 -8.8747 2.2288 2.2288 5.7892 5.7892 5.8801 5.8801 6.8321 6.8321 7.4053 7.4053 7.5116 7.5116 10.9259 10.9259 11.2002 11.2002 11.2930 11.2930 12.0547 12.0547 12.0935 12.0935 13.5955 13.5955 14.6929 14.6929 14.8209 14.8209 16.2655 16.2655 k = 0.1200-0.0693 0.0980 ( 5109 PWs) bands (ev): -66.1152 -66.1152 -35.9100 -35.9100 -34.7095 -34.7095 -34.7093 -34.7093 -9.9145 -9.9145 -9.9130 -9.9130 -8.8926 -8.8926 -8.8765 -8.8765 -8.8746 -8.8746 2.2613 2.2613 5.7836 5.7836 5.8864 5.8864 6.8319 6.8319 7.4027 7.4027 7.5162 7.5162 10.8781 10.8781 11.1727 11.1727 11.2742 11.2742 12.0441 12.0441 12.0848 12.0848 13.5459 13.5459 14.6129 14.6129 14.7262 14.7262 16.3345 16.3345 k = 0.1300-0.0751 0.1061 ( 5109 PWs) bands (ev): -66.1151 -66.1151 -35.9100 -35.9100 -34.7095 -34.7095 -34.7093 -34.7093 -9.9145 -9.9145 -9.9129 -9.9129 -8.8926 -8.8926 -8.8765 -8.8765 -8.8745 -8.8745 2.2965 2.2965 5.7776 5.7776 5.8930 5.8930 6.8319 6.8319 7.4007 7.4007 7.5209 7.5209 10.8273 10.8273 11.1491 11.1491 11.2595 11.2595 12.0368 12.0368 12.0793 12.0793 13.4992 13.4992 14.5303 14.5303 14.6315 14.6315 16.2999 16.2999 k = 0.1400-0.0808 0.1143 ( 5109 PWs) bands (ev): -66.1151 -66.1151 -35.9100 -35.9100 -34.7095 -34.7095 -34.7093 -34.7093 -9.9145 -9.9145 -9.9128 -9.9128 -8.8924 -8.8924 -8.8765 -8.8765 -8.8744 -8.8744 2.3342 2.3342 5.7712 5.7712 5.8999 5.8999 6.8320 6.8320 7.3991 7.3991 7.5255 7.5255 10.7720 10.7720 11.1256 11.1256 11.2442 11.2442 12.0294 12.0294 12.0733 12.0733 13.4547 13.4547 14.4440 14.4440 14.5359 14.5359 16.2050 16.2050 k = 0.1500-0.0866 0.1225 ( 5113 PWs) bands (ev): -66.1154 -66.1154 -35.9101 -35.9101 -34.7095 -34.7095 -34.7093 -34.7093 -9.9145 -9.9145 -9.9127 -9.9127 -8.8923 -8.8923 -8.8764 -8.8764 -8.8742 -8.8742 2.3745 2.3745 5.7645 5.7645 5.9072 5.9072 6.8324 6.8324 7.3978 7.3978 7.5301 7.5301 10.7125 10.7125 11.1032 11.1032 11.2291 11.2291 12.0174 12.0174 12.0639 12.0639 13.4106 13.4106 14.3553 14.3553 14.4404 14.4404 16.0976 16.0976 k = 0.1600-0.0924 0.1306 ( 5113 PWs) bands (ev): -66.1154 -66.1154 -35.9101 -35.9101 -34.7095 -34.7095 -34.7093 -34.7093 -9.9146 -9.9146 -9.9126 -9.9126 -8.8922 -8.8922 -8.8764 -8.8764 -8.8741 -8.8741 2.4173 2.4173 5.7573 5.7573 5.9148 5.9148 6.8331 6.8331 7.3971 7.3971 7.5348 7.5348 10.6492 10.6492 11.0799 11.0799 11.2124 11.2124 12.0096 12.0096 12.0569 12.0569 13.3698 13.3698 14.2639 14.2639 14.3443 14.3443 15.9859 15.9859 k = 0.1700-0.0981 0.1388 ( 5125 PWs) bands (ev): -66.1165 -66.1165 -35.9101 -35.9101 -34.7096 -34.7096 -34.7094 -34.7094 -9.9146 -9.9146 -9.9125 -9.9125 -8.8921 -8.8921 -8.8764 -8.8764 -8.8740 -8.8740 2.4625 2.4625 5.7498 5.7498 5.9227 5.9227 6.8341 6.8341 7.3968 7.3968 7.5395 7.5395 10.5815 10.5815 11.0537 11.0537 11.1915 11.1915 11.9989 11.9989 12.0469 12.0469 13.3294 13.3294 14.1689 14.1689 14.2468 14.2468 15.8725 15.8725 k = 0.1800-0.1039 0.1470 ( 5117 PWs) bands (ev): -66.1157 -66.1157 -35.9101 -35.9101 -34.7096 -34.7096 -34.7093 -34.7093 -9.9146 -9.9146 -9.9124 -9.9124 -8.8920 -8.8920 -8.8763 -8.8763 -8.8738 -8.8738 2.5101 2.5101 5.7421 5.7421 5.9309 5.9309 6.8354 6.8354 7.3970 7.3970 7.5444 7.5444 10.5128 10.5128 11.0327 11.0327 11.1761 11.1761 11.9915 11.9915 12.0393 12.0393 13.2920 13.2920 14.0765 14.0765 14.1523 14.1523 15.7596 15.7596 k = 0.1900-0.1097 0.1551 ( 5133 PWs) bands (ev): -66.1172 -66.1172 -35.9101 -35.9101 -34.7097 -34.7097 -34.7094 -34.7094 -9.9146 -9.9146 -9.9123 -9.9123 -8.8919 -8.8919 -8.8763 -8.8763 -8.8737 -8.8737 2.5598 2.5598 5.7340 5.7340 5.9394 5.9394 6.8370 6.8370 7.3975 7.3975 7.5494 7.5494 10.4383 10.4383 11.0047 11.0047 11.1522 11.1522 11.9816 11.9816 12.0293 12.0293 13.2540 13.2540 13.9785 13.9785 14.0540 14.0540 15.6459 15.6459 k = 0.2000-0.1155 0.1633 ( 5133 PWs) bands (ev): -66.1171 -66.1171 -35.9101 -35.9101 -34.7097 -34.7097 -34.7094 -34.7094 -9.9146 -9.9146 -9.9122 -9.9122 -8.8918 -8.8918 -8.8763 -8.8763 -8.8736 -8.8736 2.6118 2.6118 5.7259 5.7259 5.9481 5.9481 6.8390 6.8390 7.3985 7.3985 7.5546 7.5546 10.3624 10.3624 10.9818 10.9818 11.1338 11.1338 11.9728 11.9728 12.0199 12.0199 13.2177 13.2177 13.8844 13.8844 13.9592 13.9592 15.5341 15.5341 k = 0.2100-0.1212 0.1715 ( 5125 PWs) bands (ev): -66.1163 -66.1163 -35.9101 -35.9101 -34.7097 -34.7097 -34.7094 -34.7094 -9.9146 -9.9146 -9.9122 -9.9122 -8.8917 -8.8917 -8.8762 -8.8762 -8.8734 -8.8734 2.6658 2.6658 5.7176 5.7176 5.9570 5.9570 6.8413 6.8413 7.3999 7.3999 7.5601 7.5601 10.2840 10.2840 10.9593 10.9593 11.1156 11.1156 11.9678 11.9678 12.0126 12.0126 13.1856 13.1856 13.7913 13.7913 13.8656 13.8656 15.4242 15.4242 k = 0.2200-0.1270 0.1796 ( 5125 PWs) bands (ev): -66.1163 -66.1163 -35.9101 -35.9101 -34.7097 -34.7097 -34.7094 -34.7094 -9.9146 -9.9146 -9.9121 -9.9121 -8.8916 -8.8916 -8.8762 -8.8762 -8.8733 -8.8733 2.7216 2.7216 5.7094 5.7094 5.9662 5.9662 6.8440 6.8440 7.4016 7.4016 7.5659 7.5659 10.2017 10.2017 10.9363 10.9363 11.0963 11.0963 11.9596 11.9596 12.0043 12.0043 13.1502 13.1502 13.6988 13.6988 13.7725 13.7725 15.3167 15.3167 k = 0.2300-0.1328 0.1878 ( 5125 PWs) bands (ev): -66.1163 -66.1163 -35.9101 -35.9101 -34.7097 -34.7097 -34.7094 -34.7094 -9.9146 -9.9146 -9.9120 -9.9120 -8.8915 -8.8915 -8.8761 -8.8761 -8.8732 -8.8732 2.7793 2.7793 5.7012 5.7012 5.9756 5.9756 6.8469 6.8469 7.4036 7.4036 7.5719 7.5719 10.1179 10.1179 10.9134 10.9134 11.0769 11.0769 11.9509 11.9509 11.9933 11.9933 13.1154 13.1154 13.6076 13.6076 13.6806 13.6806 15.2133 15.2133 k = 0.2400-0.1386 0.1960 ( 5105 PWs) bands (ev): -66.1144 -66.1144 -35.9101 -35.9101 -34.7096 -34.7096 -34.7094 -34.7094 -9.9146 -9.9146 -9.9119 -9.9119 -8.8914 -8.8914 -8.8761 -8.8761 -8.8731 -8.8731 2.8387 2.8387 5.6933 5.6933 5.9852 5.9852 6.8502 6.8502 7.4060 7.4060 7.5784 7.5784 10.0323 10.0323 10.8942 10.8942 11.0614 11.0614 11.9466 11.9466 11.9856 11.9856 13.0867 13.0867 13.5218 13.5218 13.5935 13.5935 15.1140 15.1140 k = 0.2500-0.1443 0.2041 ( 5105 PWs) bands (ev): -66.1144 -66.1144 -35.9101 -35.9101 -34.7096 -34.7096 -34.7094 -34.7094 -9.9146 -9.9146 -9.9119 -9.9119 -8.8913 -8.8913 -8.8761 -8.8761 -8.8729 -8.8729 2.8995 2.8995 5.6858 5.6858 5.9949 5.9949 6.8536 6.8536 7.4086 7.4086 7.5851 7.5851 9.9432 9.9432 10.8716 10.8716 11.0416 11.0416 11.9380 11.9380 11.9748 11.9748 13.0513 13.0513 13.4342 13.4342 13.5045 13.5045 15.0193 15.0193 k = 0.2600-0.1501 0.2123 ( 5105 PWs) bands (ev): -66.1144 -66.1144 -35.9101 -35.9101 -34.7096 -34.7096 -34.7094 -34.7094 -9.9146 -9.9146 -9.9118 -9.9118 -8.8913 -8.8913 -8.8760 -8.8760 -8.8728 -8.8728 2.9616 2.9616 5.6788 5.6788 6.0049 6.0049 6.8572 6.8572 7.4115 7.4115 7.5922 7.5922 9.8519 9.8519 10.8493 10.8493 11.0219 11.0219 11.9294 11.9294 11.9637 11.9637 13.0153 13.0153 13.3487 13.3487 13.4174 13.4174 14.9299 14.9299 k = 0.2700-0.1559 0.2205 ( 5105 PWs) bands (ev): -66.1144 -66.1144 -35.9101 -35.9101 -34.7097 -34.7097 -34.7094 -34.7094 -9.9146 -9.9146 -9.9118 -9.9118 -8.8912 -8.8912 -8.8760 -8.8760 -8.8727 -8.8727 3.0247 3.0247 5.6724 5.6724 6.0150 6.0150 6.8608 6.8608 7.4147 7.4147 7.5997 7.5997 9.7584 9.7584 10.8273 10.8273 11.0023 11.0023 11.9209 11.9209 11.9526 11.9526 12.9787 12.9787 13.2657 13.2657 13.3323 13.3323 14.8463 14.8463 k = 0.2800-0.1617 0.2286 ( 5117 PWs) bands (ev): -66.1155 -66.1155 -35.9101 -35.9101 -34.7097 -34.7097 -34.7094 -34.7094 -9.9146 -9.9146 -9.9117 -9.9117 -8.8911 -8.8911 -8.8760 -8.8760 -8.8725 -8.8725 3.0888 3.0888 5.6667 5.6667 6.0253 6.0253 6.8644 6.8644 7.4181 7.4181 7.6074 7.6074 9.6621 9.6621 10.8036 10.8036 10.9805 10.9805 11.9103 11.9103 11.9376 11.9376 12.9415 12.9415 13.1824 13.1824 13.2467 13.2467 14.7679 14.7679 k = 0.2900-0.1674 0.2368 ( 5117 PWs) bands (ev): -66.1156 -66.1156 -35.9101 -35.9101 -34.7097 -34.7097 -34.7095 -34.7095 -9.9146 -9.9146 -9.9117 -9.9117 -8.8910 -8.8910 -8.8759 -8.8759 -8.8724 -8.8724 3.1535 3.1535 5.6621 5.6621 6.0359 6.0359 6.8679 6.8679 7.4218 7.4218 7.6156 7.6156 9.5649 9.5649 10.7825 10.7825 10.9613 10.9613 11.9019 11.9019 11.9263 11.9263 12.9032 12.9032 13.1047 13.1047 13.1660 13.1660 14.6964 14.6964 k = 0.3000-0.1732 0.2449 ( 5141 PWs) bands (ev): -66.1178 -66.1178 -35.9102 -35.9102 -34.7098 -34.7098 -34.7095 -34.7095 -9.9146 -9.9146 -9.9116 -9.9116 -8.8910 -8.8910 -8.8759 -8.8759 -8.8722 -8.8722 3.2184 3.2184 5.6585 5.6585 6.0468 6.0468 6.8710 6.8710 7.4257 7.4257 7.6239 7.6239 9.4647 9.4647 10.7597 10.7597 10.9398 10.9398 11.8877 11.8877 11.9074 11.9074 12.8572 12.8572 13.0264 13.0264 13.0843 13.0843 14.6305 14.6305 k = 0.3100-0.1790 0.2531 ( 5149 PWs) bands (ev): -66.1186 -66.1186 -35.9102 -35.9102 -34.7098 -34.7098 -34.7095 -34.7095 -9.9146 -9.9146 -9.9116 -9.9116 -8.8909 -8.8909 -8.8759 -8.8759 -8.8721 -8.8721 3.2835 3.2835 5.6563 5.6563 6.0580 6.0580 6.8739 6.8739 7.4300 7.4300 7.6326 7.6326 9.3643 9.3643 10.7386 10.7386 10.9197 10.9197 11.8785 11.8785 11.8955 11.8955 12.8142 12.8142 12.9527 12.9527 13.0065 13.0065 14.5712 14.5712 k = 0.3200-0.1848 0.2613 ( 5157 PWs) bands (ev): -66.1194 -66.1194 -35.9102 -35.9102 -34.7099 -34.7099 -34.7096 -34.7096 -9.9146 -9.9146 -9.9116 -9.9116 -8.8908 -8.8908 -8.8759 -8.8759 -8.8720 -8.8720 3.3483 3.3483 5.6555 5.6555 6.0696 6.0696 6.8763 6.8763 7.4347 7.4347 7.6416 7.6416 9.2628 9.2628 10.7178 10.7178 10.8999 10.8999 11.8696 11.8696 11.8834 11.8834 12.7722 12.7722 12.8824 12.8824 12.9310 12.9310 14.5179 14.5179 k = 0.3300-0.1905 0.2694 ( 5157 PWs) bands (ev): -66.1194 -66.1194 -35.9102 -35.9102 -34.7099 -34.7099 -34.7096 -34.7096 -9.9146 -9.9146 -9.9116 -9.9116 -8.8908 -8.8908 -8.8759 -8.8759 -8.8718 -8.8718 3.4125 3.4125 5.6562 5.6562 6.0817 6.0817 6.8780 6.8780 7.4397 7.4397 7.6508 7.6508 9.1606 9.1606 10.6993 10.6993 10.8822 10.8822 11.8610 11.8610 11.8737 11.8737 12.7297 12.7297 12.8193 12.8193 12.8615 12.8615 14.4703 14.4703 k = 0.3400-0.1963 0.2776 ( 5157 PWs) bands (ev): -66.1194 -66.1194 -35.9102 -35.9102 -34.7099 -34.7099 -34.7096 -34.7096 -9.9146 -9.9146 -9.9116 -9.9116 -8.8907 -8.8907 -8.8759 -8.8759 -8.8717 -8.8717 3.4757 3.4757 5.6587 5.6587 6.0945 6.0945 6.8790 6.8790 7.4451 7.4451 7.6600 7.6600 9.0578 9.0578 10.6814 10.6814 10.8649 10.8649 11.8517 11.8517 11.8651 11.8651 12.6855 12.6855 12.7614 12.7614 12.7957 12.7957 14.4281 14.4281 k = 0.3500-0.2021 0.2858 ( 5157 PWs) bands (ev): -66.1194 -66.1194 -35.9102 -35.9102 -34.7099 -34.7099 -34.7096 -34.7096 -9.9146 -9.9146 -9.9115 -9.9115 -8.8907 -8.8907 -8.8760 -8.8760 -8.8715 -8.8715 3.5375 3.5375 5.6629 5.6629 6.1081 6.1081 6.8789 6.8789 7.4509 7.4509 7.6694 7.6694 8.9548 8.9548 10.6643 10.6643 10.8481 10.8481 11.8418 11.8418 11.8577 11.8577 12.6395 12.6395 12.7085 12.7085 12.7346 12.7346 14.3908 14.3908 k = 0.3600-0.2078 0.2939 ( 5153 PWs) bands (ev): -66.1190 -66.1190 -35.9102 -35.9102 -34.7099 -34.7099 -34.7096 -34.7096 -9.9145 -9.9145 -9.9115 -9.9115 -8.8906 -8.8906 -8.8760 -8.8760 -8.8714 -8.8714 3.5976 3.5976 5.6689 5.6689 6.1227 6.1227 6.8775 6.8775 7.4572 7.4572 7.6787 7.6787 8.8523 8.8523 10.6485 10.6485 10.8325 10.8325 11.8322 11.8322 11.8512 11.8512 12.5935 12.5935 12.6594 12.6594 12.6820 12.6820 14.3582 14.3582 k = 0.3700-0.2136 0.3021 ( 5161 PWs) bands (ev): -66.1197 -66.1197 -35.9102 -35.9102 -34.7099 -34.7099 -34.7096 -34.7096 -9.9145 -9.9145 -9.9115 -9.9115 -8.8906 -8.8906 -8.8760 -8.8760 -8.8713 -8.8713 3.6554 3.6554 5.6766 5.6766 6.1386 6.1386 6.8746 6.8746 7.4640 7.4640 7.6879 7.6879 8.7502 8.7502 10.6325 10.6325 10.8164 10.8164 11.8202 11.8202 11.8412 11.8412 12.5451 12.5451 12.6068 12.6068 12.6360 12.6360 14.3296 14.3296 k = 0.3800-0.2194 0.3103 ( 5157 PWs) bands (ev): -66.1193 -66.1193 -35.9102 -35.9102 -34.7099 -34.7099 -34.7096 -34.7096 -9.9145 -9.9145 -9.9115 -9.9115 -8.8906 -8.8906 -8.8760 -8.8760 -8.8712 -8.8712 3.7107 3.7107 5.6860 5.6860 6.1559 6.1559 6.8700 6.8700 7.4713 7.4713 7.6970 7.6970 8.6498 8.6498 10.6183 10.6183 10.8018 10.8018 11.8106 11.8106 11.8360 11.8360 12.5009 12.5009 12.5573 12.5573 12.6005 12.6005 14.3051 14.3051 k = 0.3900-0.2252 0.3184 ( 5153 PWs) bands (ev): -66.1189 -66.1189 -35.9102 -35.9102 -34.7099 -34.7099 -34.7096 -34.7096 -9.9145 -9.9145 -9.9115 -9.9115 -8.8905 -8.8905 -8.8760 -8.8760 -8.8710 -8.8710 3.7629 3.7629 5.6969 5.6969 6.1751 6.1751 6.8633 6.8633 7.4793 7.4793 7.7058 7.7058 8.5513 8.5513 10.6051 10.6051 10.7881 10.7881 11.8020 11.8020 11.8328 11.8328 12.4593 12.4594 12.5113 12.5113 12.5659 12.5659 14.2836 14.2836 k = 0.4000-0.2309 0.3266 ( 5145 PWs) bands (ev): -66.1182 -66.1182 -35.9102 -35.9102 -34.7099 -34.7099 -34.7096 -34.7096 -9.9145 -9.9145 -9.9115 -9.9115 -8.8905 -8.8905 -8.8761 -8.8761 -8.8709 -8.8709 3.8117 3.8117 5.7089 5.7089 6.1965 6.1965 6.8543 6.8543 7.4880 7.4880 7.7144 7.7144 8.4555 8.4555 10.5929 10.5929 10.7752 10.7752 11.7945 11.7945 11.8310 11.8310 12.4222 12.4222 12.4694 12.4695 12.5368 12.5368 14.2654 14.2654 k = 0.4100-0.2367 0.3348 ( 5153 PWs) bands (ev): -66.1189 -66.1189 -35.9102 -35.9102 -34.7100 -34.7100 -34.7096 -34.7096 -9.9145 -9.9145 -9.9115 -9.9115 -8.8905 -8.8905 -8.8761 -8.8761 -8.8708 -8.8708 3.8567 3.8567 5.7216 5.7216 6.2203 6.2203 6.8424 6.8424 7.4973 7.4973 7.7224 7.7224 8.3628 8.3628 10.5805 10.5805 10.7620 10.7620 11.7849 11.7849 11.8264 11.8264 12.3824 12.3824 12.4247 12.4247 12.5096 12.5096 14.2497 14.2497 k = 0.4200-0.2425 0.3429 ( 5157 PWs) bands (ev): -66.1193 -66.1193 -35.9102 -35.9102 -34.7100 -34.7100 -34.7096 -34.7096 -9.9145 -9.9145 -9.9116 -9.9116 -8.8904 -8.8904 -8.8761 -8.8761 -8.8707 -8.8707 3.8976 3.8976 5.7347 5.7347 6.2469 6.2469 6.8275 6.8275 7.5074 7.5074 7.7300 7.7300 8.2745 8.2745 10.5697 10.5697 10.7502 10.7502 11.7769 11.7769 11.8220 11.8220 12.3477 12.3477 12.3854 12.3854 12.4857 12.4857 14.2364 14.2364 k = 0.4300-0.2483 0.3511 ( 5161 PWs) bands (ev): -66.1197 -66.1197 -35.9102 -35.9102 -34.7100 -34.7100 -34.7096 -34.7096 -9.9144 -9.9144 -9.9116 -9.9116 -8.8904 -8.8904 -8.8762 -8.8762 -8.8706 -8.8706 3.9341 3.9341 5.7476 5.7476 6.2764 6.2764 6.8094 6.8094 7.5185 7.5185 7.7371 7.7371 8.1911 8.1911 10.5603 10.5603 10.7398 10.7398 11.7678 11.7678 11.8180 11.8180 12.3186 12.3186 12.3518 12.3518 12.4635 12.4635 14.2254 14.2254 k = 0.4400-0.2540 0.3593 ( 5153 PWs) bands (ev): -66.1189 -66.1189 -35.9102 -35.9102 -34.7100 -34.7100 -34.7096 -34.7096 -9.9144 -9.9144 -9.9116 -9.9116 -8.8904 -8.8904 -8.8762 -8.8762 -8.8706 -8.8706 3.9662 3.9662 5.7599 5.7599 6.3090 6.3090 6.7877 6.7877 7.5307 7.5307 7.7437 7.7437 8.1140 8.1140 10.5523 10.5523 10.7309 10.7309 11.7619 11.7619 11.8155 11.8155 12.2967 12.2967 12.3253 12.3253 12.4504 12.4504 14.2168 14.2168 k = 0.4500-0.2598 0.3674 ( 5157 PWs) bands (ev): -66.1193 -66.1193 -35.9102 -35.9102 -34.7100 -34.7100 -34.7096 -34.7096 -9.9144 -9.9144 -9.9116 -9.9116 -8.8904 -8.8904 -8.8762 -8.8762 -8.8705 -8.8705 3.9934 3.9934 5.7710 5.7710 6.3442 6.3442 6.7624 6.7624 7.5436 7.5436 7.7497 7.7497 8.0436 8.0436 10.5450 10.5450 10.7226 10.7226 11.7563 11.7563 11.8125 11.8125 12.2726 12.2726 12.2966 12.2966 12.4374 12.4374 14.2094 14.2094 k = 0.4600-0.2656 0.3756 ( 5149 PWs) bands (ev): -66.1185 -66.1185 -35.9102 -35.9102 -34.7100 -34.7100 -34.7096 -34.7096 -9.9144 -9.9144 -9.9116 -9.9116 -8.8904 -8.8904 -8.8762 -8.8762 -8.8704 -8.8704 4.0159 4.0159 5.7806 5.7806 6.3817 6.3817 6.7338 6.7338 7.5573 7.5573 7.7553 7.7553 7.9813 7.9813 10.5392 10.5392 10.7161 10.7161 11.7550 11.7550 11.8136 11.8136 12.2568 12.2568 12.2762 12.2762 12.4274 12.4274 14.2036 14.2036 k = 0.4700-0.2714 0.3838 ( 5149 PWs) bands (ev): -66.1185 -66.1185 -35.9102 -35.9102 -34.7100 -34.7100 -34.7096 -34.7096 -9.9144 -9.9144 -9.9116 -9.9116 -8.8904 -8.8904 -8.8762 -8.8762 -8.8704 -8.8704 4.0333 4.0333 5.7884 5.7884 6.4203 6.4203 6.7025 6.7025 7.5709 7.5709 7.7607 7.7607 7.9279 7.9279 10.5347 10.5347 10.7109 10.7109 11.7515 11.7515 11.8120 11.8120 12.2442 12.2442 12.2592 12.2592 12.4180 12.4180 14.1993 14.1993 k = 0.4800-0.2771 0.3919 ( 5141 PWs) bands (ev): -66.1178 -66.1178 -35.9102 -35.9102 -34.7099 -34.7099 -34.7096 -34.7096 -9.9144 -9.9144 -9.9116 -9.9116 -8.8904 -8.8904 -8.8763 -8.8763 -8.8704 -8.8704 4.0459 4.0459 5.7941 5.7941 6.4579 6.4579 6.6704 6.6704 7.5833 7.5833 7.7661 7.7661 7.8852 7.8852 10.5316 10.5316 10.7073 10.7073 11.7504 11.7504 11.8148 11.8148 12.2388 12.2388 12.2494 12.2494 12.4118 12.4118 14.1963 14.1963 k = 0.4900-0.2829 0.4001 ( 5125 PWs) bands (ev): -66.1162 -66.1162 -35.9102 -35.9102 -34.7099 -34.7099 -34.7096 -34.7096 -9.9144 -9.9144 -9.9116 -9.9116 -8.8904 -8.8904 -8.8763 -8.8763 -8.8704 -8.8704 4.0535 4.0535 5.7975 5.7975 6.4898 6.4898 6.6421 6.6421 7.5924 7.5924 7.7713 7.7713 7.8559 7.8559 10.5300 10.5300 10.7052 10.7052 11.7498 11.7498 11.8151 11.8151 12.2405 12.2405 12.2471 12.2471 12.4160 12.4160 14.1955 14.1955 k = 0.5000-0.2887 0.4082 ( 5138 PWs) bands (ev): -66.1174 -66.1174 -35.9102 -35.9102 -34.7099 -34.7099 -34.7096 -34.7096 -9.9144 -9.9144 -9.9116 -9.9116 -8.8904 -8.8904 -8.8763 -8.8763 -8.8703 -8.8703 4.0560 4.0560 5.7987 5.7987 6.5039 6.5039 6.6290 6.6290 7.5957 7.5957 7.7736 7.7736 7.8449 7.8449 10.5291 10.5291 10.7043 10.7043 11.7471 11.7471 11.8136 11.8136 12.2346 12.2346 12.2391 12.2391 12.4107 12.4107 14.1944 14.1944 k = 0.5000-0.2887 0.4082 ( 5138 PWs) bands (ev): -66.1174 -66.1174 -35.9102 -35.9102 -34.7099 -34.7099 -34.7096 -34.7096 -9.9144 -9.9144 -9.9116 -9.9116 -8.8904 -8.8904 -8.8763 -8.8763 -8.8703 -8.8703 4.0560 4.0560 5.7987 5.7987 6.5039 6.5039 6.6290 6.6290 7.5957 7.5957 7.7736 7.7736 7.8449 7.8449 10.5291 10.5291 10.7043 10.7043 11.7471 11.7471 11.8136 11.8136 12.2346 12.2346 12.2391 12.2391 12.4107 12.4107 14.1944 14.1944 k = 0.5000-0.2771 0.4164 ( 5132 PWs) bands (ev): -66.1169 -66.1169 -35.9102 -35.9102 -34.7099 -34.7099 -34.7096 -34.7096 -9.9145 -9.9143 -9.9117 -9.9115 -8.8904 -8.8904 -8.8764 -8.8762 -8.8704 -8.8703 4.0545 4.0575 5.7935 5.8054 6.4811 6.5247 6.6287 6.6321 7.5752 7.6172 7.7645 7.7792 7.8450 7.8471 10.5147 10.5361 10.6971 10.7031 11.7492 11.7530 11.8109 11.8206 12.2329 12.2369 12.2420 12.2420 12.4103 12.4123 14.1920 14.2131 k = 0.5000-0.2656 0.4246 ( 5142 PWs) bands (ev): -66.1178 -66.1178 -35.9102 -35.9102 -34.7099 -34.7099 -34.7096 -34.7096 -9.9145 -9.9143 -9.9119 -9.9113 -8.8903 -8.8903 -8.8765 -8.8760 -8.8705 -8.8702 4.0533 4.0592 5.7898 5.8137 6.4574 6.5416 6.6328 6.6366 7.5556 7.6395 7.7504 7.7804 7.8468 7.8517 10.4913 10.5358 10.6834 10.6930 11.7470 11.7550 11.8100 11.8282 12.2296 12.2303 12.2392 12.2462 12.4066 12.4105 14.2060 14.2476 k = 0.5000-0.2540 0.4327 ( 5146 PWs) bands (ev): -66.1182 -66.1182 -35.9102 -35.9102 -34.7100 -34.7099 -34.7096 -34.7096 -9.9146 -9.9142 -9.9120 -9.9112 -8.8903 -8.8903 -8.8766 -8.8759 -8.8706 -8.8702 4.0521 4.0610 5.7876 5.8234 6.4335 6.5525 6.6420 6.6435 7.5369 7.6627 7.7328 7.7793 7.8493 7.8583 10.4578 10.5277 10.6663 10.6756 11.7486 11.7618 11.8168 11.8416 12.2252 12.2273 12.2394 12.2485 12.4031 12.4090 14.2361 14.2973 k = 0.5000-0.2425 0.4409 ( 5154 PWs) bands (ev): -66.1190 -66.1190 -35.9102 -35.9102 -34.7100 -34.7099 -34.7096 -34.7096 -9.9146 -9.9141 -9.9121 -9.9111 -8.8903 -8.8903 -8.8767 -8.8758 -8.8707 -8.8702 4.0511 4.0629 5.7869 5.8346 6.4096 6.5574 6.6479 6.6608 7.5190 7.6865 7.7119 7.7767 7.8517 7.8666 10.4131 10.5096 10.6483 10.6541 11.7529 11.7720 11.8290 11.8585 12.2174 12.2223 12.2375 12.2473 12.3961 12.4040 14.2817 14.3611 k = 0.5000-0.2309 0.4491 ( 5154 PWs) bands (ev): -66.1190 -66.1190 -35.9102 -35.9102 -34.7100 -34.7099 -34.7097 -34.7096 -9.9147 -9.9140 -9.9123 -9.9109 -8.8903 -8.8902 -8.8768 -8.8756 -8.8708 -8.8702 4.0502 4.0649 5.7877 5.8473 6.3861 6.5582 6.6541 6.6827 7.5019 7.6883 7.7107 7.7733 7.8537 7.8764 10.3581 10.4795 10.6311 10.6327 11.7594 11.7846 11.8449 11.8775 12.2135 12.2188 12.2374 12.2497 12.3926 12.4026 14.3430 14.4391 k = 0.5000-0.2194 0.4572 ( 5158 PWs) bands (ev): -66.1194 -66.1194 -35.9103 -35.9102 -34.7100 -34.7099 -34.7097 -34.7096 -9.9147 -9.9139 -9.9124 -9.9108 -8.8902 -8.8902 -8.8769 -8.8755 -8.8709 -8.8701 4.0495 4.0669 5.7899 5.8613 6.3630 6.5569 6.6604 6.7073 7.4855 7.6622 7.7346 7.7695 7.8558 7.8875 10.2938 10.4366 10.6142 10.6153 11.7673 11.7981 11.8624 11.8971 12.2085 12.2162 12.2379 12.2506 12.3840 12.3963 14.4185 14.5295 k = 0.5000-0.2078 0.4654 ( 5158 PWs) bands (ev): -66.1194 -66.1194 -35.9103 -35.9102 -34.7100 -34.7099 -34.7097 -34.7096 -9.9147 -9.9138 -9.9125 -9.9107 -8.8901 -8.8901 -8.8769 -8.8754 -8.8710 -8.8701 4.0489 4.0691 5.7934 5.8765 6.3403 6.5545 6.6667 6.7334 7.4696 7.6342 7.7567 7.7656 7.8591 7.9000 10.2221 10.3826 10.5985 10.6006 11.7789 11.8136 11.8793 11.9166 12.2053 12.2115 12.2363 12.2525 12.3795 12.3939 14.5081 14.6322 k = 0.5000-0.1963 0.4736 ( 5158 PWs) bands (ev): -66.1194 -66.1194 -35.9103 -35.9102 -34.7100 -34.7099 -34.7097 -34.7096 -9.9148 -9.9138 -9.9126 -9.9106 -8.8901 -8.8901 -8.8770 -8.8752 -8.8711 -8.8702 4.0484 4.0713 5.7983 5.8930 6.3182 6.5520 6.6730 6.7601 7.4539 7.6045 7.7611 7.7750 7.8664 7.9139 10.1450 10.3203 10.5848 10.5869 11.7904 11.8295 11.8987 11.9371 12.2013 12.2068 12.2345 12.2531 12.3749 12.3914 14.6104 14.7458 k = 0.5000-0.1848 0.4817 ( 5158 PWs) bands (ev): -66.1194 -66.1194 -35.9103 -35.9102 -34.7100 -34.7099 -34.7097 -34.7096 -9.9148 -9.9137 -9.9128 -9.9105 -8.8900 -8.8900 -8.8771 -8.8751 -8.8712 -8.8702 4.0481 4.0736 5.8044 5.9105 6.2967 6.5496 6.6792 6.7869 7.4382 7.5739 7.7567 7.7858 7.8808 7.9293 10.0639 10.2521 10.5722 10.5741 11.8033 11.8456 11.9171 11.9566 12.1981 12.2022 12.2328 12.2541 12.3693 12.3882 14.7244 14.8696 k = 0.5000-0.1732 0.4899 ( 5162 PWs) bands (ev): -66.1198 -66.1198 -35.9103 -35.9102 -34.7100 -34.7099 -34.7097 -34.7096 -9.9148 -9.9136 -9.9129 -9.9104 -8.8899 -8.8899 -8.8772 -8.8749 -8.8713 -8.8702 4.0479 4.0759 5.8117 5.9290 6.2758 6.5476 6.6851 6.8135 7.4219 7.5430 7.7518 7.7891 7.9028 7.9461 9.9801 10.1800 10.5603 10.5621 11.8141 11.8593 11.9343 11.9740 12.1947 12.1967 12.2301 12.2543 12.3636 12.3847 14.8492 15.0027 k = 0.5000-0.1617 0.4981 ( 5158 PWs) bands (ev): -66.1194 -66.1194 -35.9103 -35.9102 -34.7100 -34.7099 -34.7097 -34.7096 -9.9148 -9.9135 -9.9130 -9.9103 -8.8899 -8.8899 -8.8772 -8.8748 -8.8714 -8.8703 4.0478 4.0782 5.8202 5.9482 6.2554 6.5464 6.6908 6.8396 7.4042 7.5132 7.7467 7.7872 7.9305 7.9646 9.8949 10.1056 10.5489 10.5510 11.8277 11.8746 11.9519 11.9919 12.1936 12.1971 12.2331 12.2567 12.3565 12.3805 14.9838 15.1443 k = 0.5000-0.1501 0.5062 ( 5162 PWs) bands (ev): -66.1198 -66.1198 -35.9103 -35.9102 -34.7100 -34.7099 -34.7097 -34.7096 -9.9149 -9.9134 -9.9131 -9.9102 -8.8898 -8.8898 -8.8773 -8.8746 -8.8716 -8.8703 4.0477 4.0804 5.8296 5.9680 6.2355 6.5459 6.6964 6.8648 7.3838 7.4858 7.7409 7.7826 7.9618 7.9848 9.8090 10.0298 10.5377 10.5401 11.8429 11.8905 11.9679 12.0092 12.1892 12.1903 12.2276 12.2567 12.3472 12.3739 15.1269 15.2934 k = 0.5000-0.1386 0.5144 ( 5162 PWs) bands (ev): -66.1198 -66.1198 -35.9103 -35.9102 -34.7100 -34.7099 -34.7097 -34.7096 -9.9149 -9.9133 -9.9132 -9.9101 -8.8897 -8.8897 -8.8773 -8.8744 -8.8717 -8.8704 4.0477 4.0826 5.8401 5.9881 6.2162 6.5465 6.7016 6.8887 7.3601 7.4621 7.7344 7.7769 7.9952 8.0066 9.7235 9.9539 10.5270 10.5301 11.8586 11.9061 11.9835 12.0259 12.1836 12.1876 12.2242 12.2568 12.3401 12.3694 15.2782 15.4497 k = 0.5000-0.1270 0.5226 ( 5154 PWs) bands (ev): -66.1191 -66.1191 -35.9103 -35.9102 -34.7100 -34.7099 -34.7097 -34.7096 -9.9149 -9.9133 -9.9132 -9.9100 -8.8896 -8.8896 -8.8774 -8.8743 -8.8718 -8.8705 4.0478 4.0847 5.8514 6.0083 6.1974 6.5484 6.7066 6.9112 7.3327 7.4429 7.7270 7.7712 8.0303 8.0304 9.6391 9.8787 10.5168 10.5209 11.8764 11.9227 11.9992 12.0430 12.1819 12.1883 12.2248 12.2607 12.3325 12.3654 15.4369 15.6126 k = 0.5000-0.1155 0.5307 ( 5150 PWs) bands (ev): -66.1187 -66.1187 -35.9103 -35.9101 -34.7100 -34.7098 -34.7097 -34.7096 -9.9149 -9.9134 -9.9131 -9.9100 -8.8896 -8.8895 -8.8774 -8.8741 -8.8719 -8.8706 4.0479 4.0867 5.8634 6.0282 6.1790 6.5515 6.7112 6.9315 7.3027 7.4275 7.7185 7.7660 8.0556 8.0663 9.5563 9.8049 10.5071 10.5124 11.8934 11.9383 12.0140 12.0590 12.1785 12.1861 12.2232 12.2610 12.3252 12.3610 15.6021 15.7814 k = 0.5000-0.1039 0.5389 ( 5154 PWs) bands (ev): -66.1191 -66.1191 -35.9103 -35.9101 -34.7100 -34.7098 -34.7097 -34.7096 -9.9149 -9.9134 -9.9131 -9.9099 -8.8895 -8.8894 -8.8775 -8.8739 -8.8720 -8.8707 4.0481 4.0886 5.8761 6.0476 6.1611 6.5560 6.7154 6.9493 7.2715 7.4152 7.7092 7.7615 8.0824 8.1026 9.4756 9.7331 10.4981 10.5045 11.9075 11.9505 12.0249 12.0713 12.1723 12.1830 12.2189 12.2607 12.3156 12.3547 15.7732 15.9557 k = 0.5000-0.0924 0.5471 ( 5154 PWs) bands (ev): -66.1192 -66.1192 -35.9103 -35.9101 -34.7100 -34.7098 -34.7098 -34.7096 -9.9149 -9.9135 -9.9130 -9.9098 -8.8894 -8.8894 -8.8775 -8.8738 -8.8721 -8.8708 4.0482 4.0904 5.8895 6.0660 6.1436 6.5621 6.7192 6.9639 7.2408 7.4051 7.6995 7.7578 8.1105 8.1389 9.3984 9.6648 10.4899 10.4974 11.9204 11.9627 12.0382 12.0846 12.1659 12.1810 12.2148 12.2619 12.3077 12.3502 15.9496 16.1350 k = 0.5000-0.0808 0.5552 ( 5154 PWs) bands (ev): -66.1192 -66.1192 -35.9103 -35.9101 -34.7100 -34.7098 -34.7098 -34.7096 -9.9149 -9.9136 -9.9129 -9.9098 -8.8894 -8.8893 -8.8775 -8.8736 -8.8722 -8.8709 4.0484 4.0920 5.9033 6.0832 6.1265 6.5696 6.7227 6.9745 7.2125 7.3967 7.6900 7.7549 8.1396 8.1743 9.3249 9.6001 10.4825 10.4912 11.9348 11.9751 12.0500 12.0974 12.1616 12.1769 12.2117 12.2601 12.2991 12.3447 16.1305 16.3187 k = 0.5000-0.0693 0.5634 ( 5158 PWs) bands (ev): -66.1196 -66.1196 -35.9103 -35.9101 -34.7100 -34.7098 -34.7098 -34.7097 -9.9149 -9.9136 -9.9129 -9.9098 -8.8893 -8.8892 -8.8775 -8.8734 -8.8723 -8.8710 4.0486 4.0934 5.9175 6.0988 6.1096 6.5785 6.7257 6.9801 7.1883 7.3898 7.6809 7.7524 8.1691 8.2084 9.2561 9.5401 10.4759 10.4857 11.9479 11.9837 12.0554 12.1064 12.1553 12.1737 12.2070 12.2597 12.2918 12.3404 16.3153 16.5064 k = 0.5000-0.0577 0.5715 ( 5162 PWs) bands (ev): -66.1200 -66.1200 -35.9103 -35.9102 -34.7100 -34.7098 -34.7098 -34.7097 -9.9149 -9.9137 -9.9128 -9.9097 -8.8893 -8.8892 -8.8776 -8.8733 -8.8724 -8.8711 4.0488 4.0946 5.9320 6.0931 6.1125 6.5884 6.7283 6.9801 7.1694 7.3840 7.6726 7.7505 8.1980 8.2403 9.1935 9.4862 10.4703 10.4810 11.9571 11.9916 12.0639 12.1153 12.1491 12.1702 12.2024 12.2593 12.2836 12.3355 16.5034 16.6977 k = 0.5000-0.0462 0.5797 ( 5164 PWs) bands (ev): -66.1202 -66.1202 -35.9103 -35.9102 -34.7100 -34.7098 -34.7098 -34.7097 -9.9149 -9.9137 -9.9128 -9.9097 -8.8892 -8.8891 -8.8776 -8.8731 -8.8724 -8.8712 4.0489 4.0956 5.9467 6.0770 6.1240 6.5987 6.7305 6.9750 7.1567 7.3794 7.6655 7.7490 8.2255 8.2688 9.1380 9.4391 10.4656 10.4772 11.9693 11.9994 12.0686 12.1237 12.1457 12.1666 12.1993 12.2576 12.2759 12.3305 16.6932 16.8915 k = 0.5000-0.0346 0.5879 ( 5158 PWs) bands (ev): -66.1197 -66.1196 -35.9103 -35.9101 -34.7100 -34.7098 -34.7098 -34.7097 -9.9149 -9.9138 -9.9128 -9.9097 -8.8892 -8.8891 -8.8776 -8.8730 -8.8725 -8.8713 4.0490 4.0965 5.9615 6.0613 6.1332 6.6087 6.7322 6.9666 7.1492 7.3758 7.6597 7.7479 8.2498 8.2928 9.0919 9.4009 10.4619 10.4744 11.9796 12.0081 12.0773 12.1338 12.1450 12.1642 12.1990 12.2572 12.2717 12.3285 16.8826 17.0866 k = 0.5000-0.0231 0.5960 ( 5158 PWs) bands (ev): -66.1197 -66.1196 -35.9103 -35.9101 -34.7100 -34.7098 -34.7098 -34.7097 -9.9149 -9.9138 -9.9127 -9.9096 -8.8892 -8.8891 -8.8776 -8.8729 -8.8725 -8.8714 4.0491 4.0971 5.9759 6.0462 6.1398 6.6172 6.7334 6.9575 7.1453 7.3732 7.6554 7.7471 8.2692 8.3112 9.0568 9.3722 10.4593 10.4722 11.9865 12.0131 12.0818 12.1409 12.1412 12.1618 12.1954 12.2566 12.2687 12.3266 17.0659 17.2791 k = 0.5000-0.0115 0.6042 ( 5158 PWs) bands (ev): -66.1197 -66.1196 -35.9103 -35.9101 -34.7100 -34.7098 -34.7098 -34.7097 -9.9149 -9.9138 -9.9127 -9.9096 -8.8892 -8.8891 -8.8776 -8.8728 -8.8725 -8.8715 4.0492 4.0974 5.9889 6.0328 6.1438 6.6229 6.7342 6.9507 7.1437 7.3717 7.6527 7.7466 8.2819 8.3227 9.0348 9.3545 10.4577 10.4709 11.9909 12.0163 12.0846 12.1387 12.1460 12.1600 12.1927 12.2561 12.2670 12.3255 17.2260 17.4562 k = 0.5000-0.0000 0.6124 ( 5180 PWs) bands (ev): -66.1217 -66.1217 -35.9104 -35.9102 -34.7101 -34.7099 -34.7098 -34.7097 -9.9149 -9.9138 -9.9127 -9.9096 -8.8892 -8.8890 -8.8776 -8.8728 -8.8725 -8.8715 4.0492 4.0975 5.9955 6.0259 6.1451 6.6249 6.7343 6.9480 7.1431 7.3710 7.6518 7.7464 8.2859 8.3262 9.0266 9.3478 10.4572 10.4703 11.9876 12.0108 12.0774 12.1323 12.1415 12.1524 12.1855 12.2463 12.2641 12.3207 17.3026 17.5511 k = 0.5000-0.0000 0.6124 ( 5180 PWs) bands (ev): -66.1217 -66.1217 -35.9104 -35.9102 -34.7101 -34.7099 -34.7098 -34.7097 -9.9149 -9.9138 -9.9127 -9.9096 -8.8892 -8.8890 -8.8776 -8.8728 -8.8725 -8.8715 4.0492 4.0975 5.9955 6.0259 6.1451 6.6249 6.7343 6.9480 7.1431 7.3710 7.6518 7.7464 8.2859 8.3262 9.0266 9.3478 10.4572 10.4703 11.9876 12.0108 12.0774 12.1323 12.1415 12.1524 12.1855 12.2463 12.2641 12.3207 17.3026 17.5511 k = 0.4931 0.0120 0.6124 ( 5153 PWs) bands (ev): -66.1192 -66.1192 -35.9103 -35.9101 -34.7100 -34.7098 -34.7098 -34.7097 -9.9149 -9.9138 -9.9127 -9.9096 -8.8892 -8.8891 -8.8776 -8.8728 -8.8725 -8.8715 4.0488 4.0970 5.9918 6.0292 6.1446 6.6238 6.7332 6.9497 7.1438 7.3717 7.6517 7.7459 8.2824 8.3268 9.0324 9.3520 10.4583 10.4718 11.9916 12.0183 12.0876 12.1352 12.1487 12.1655 12.1917 12.2593 12.2713 12.3285 17.2568 17.4909 k = 0.4861 0.0241 0.6124 ( 5153 PWs) bands (ev): -66.1192 -66.1192 -35.9103 -35.9101 -34.7100 -34.7098 -34.7098 -34.7097 -9.9149 -9.9138 -9.9127 -9.9096 -8.8892 -8.8891 -8.8776 -8.8729 -8.8725 -8.8714 4.0476 4.0955 5.9829 6.0365 6.1432 6.6208 6.7296 6.9543 7.1450 7.3733 7.6508 7.7445 8.2722 8.3252 9.0467 9.3611 10.4616 10.4757 11.9885 12.0190 12.0896 12.1307 12.1486 12.1736 12.1922 12.2608 12.2773 12.3308 17.1422 17.3543 k = 0.4792 0.0361 0.6124 ( 5153 PWs) bands (ev): -66.1192 -66.1192 -35.9103 -35.9101 -34.7100 -34.7098 -34.7098 -34.7097 -9.9149 -9.9138 -9.9127 -9.9097 -8.8892 -8.8891 -8.8776 -8.8729 -8.8725 -8.8714 4.0457 4.0931 5.9718 6.0451 6.1413 6.6166 6.7236 6.9616 7.1469 7.3756 7.6487 7.7426 8.2583 8.3204 9.0689 9.3751 10.4670 10.4823 11.9832 12.0204 12.0924 12.1272 12.1479 12.1846 12.1945 12.2634 12.2862 12.3346 16.9930 17.1885 k = 0.4722 0.0481 0.6124 ( 5154 PWs) bands (ev): -66.1193 -66.1193 -35.9103 -35.9101 -34.7100 -34.7098 -34.7098 -34.7097 -9.9149 -9.9138 -9.9127 -9.9097 -8.8892 -8.8891 -8.8776 -8.8730 -8.8726 -8.8713 4.0433 4.0901 5.9598 6.0540 6.1392 6.6118 6.7159 6.9708 7.1493 7.3782 7.6448 7.7407 8.2420 8.3123 9.0973 9.3926 10.4747 10.4916 11.9759 12.0218 12.0947 12.1251 12.1472 12.1957 12.1998 12.2664 12.2981 12.3403 16.8275 17.0108 k = 0.4653 0.0601 0.6124 ( 5160 PWs) bands (ev): -66.1198 -66.1198 -35.9103 -35.9101 -34.7100 -34.7098 -34.7098 -34.7097 -9.9149 -9.9138 -9.9126 -9.9097 -8.8892 -8.8891 -8.8776 -8.8731 -8.8726 -8.8711 4.0405 4.0865 5.9473 6.0627 6.1369 6.6068 6.7071 6.9807 7.1524 7.3811 7.6384 7.7393 8.2244 8.3015 9.1298 9.4123 10.4842 10.5034 11.9663 12.0212 12.0946 12.1224 12.1468 12.2006 12.2127 12.2711 12.3096 12.3461 16.6542 16.8283 k = 0.4583 0.0722 0.6124 ( 5156 PWs) bands (ev): -66.1195 -66.1194 -35.9103 -35.9101 -34.7100 -34.7098 -34.7098 -34.7097 -9.9149 -9.9139 -9.9126 -9.9097 -8.8893 -8.8891 -8.8776 -8.8732 -8.8726 -8.8710 4.0374 4.0825 5.9349 6.0710 6.1347 6.6019 6.6979 6.9905 7.1567 7.3841 7.6293 7.7390 8.2065 8.2889 9.1651 9.4335 10.4959 10.5178 11.9579 12.0217 12.0985 12.1243 12.1492 12.2074 12.2337 12.2808 12.3247 12.3571 16.4785 16.6450 k = 0.4514 0.0842 0.6124 ( 5158 PWs) bands (ev): -66.1196 -66.1196 -35.9103 -35.9101 -34.7100 -34.7098 -34.7098 -34.7097 -9.9149 -9.9139 -9.9126 -9.9098 -8.8893 -8.8891 -8.8775 -8.8733 -8.8726 -8.8709 4.0342 4.0783 5.9227 6.0789 6.1327 6.5974 6.6887 6.9989 7.1627 7.3872 7.6172 7.7398 8.1887 8.2750 9.2009 9.4545 10.5090 10.5341 11.9485 12.0194 12.1011 12.1251 12.1512 12.2119 12.2550 12.2915 12.3374 12.3712 16.3036 16.4635 k = 0.4444 0.0962 0.6124 ( 5158 PWs) bands (ev): -66.1196 -66.1196 -35.9103 -35.9101 -34.7100 -34.7098 -34.7098 -34.7097 -9.9149 -9.9139 -9.9125 -9.9098 -8.8893 -8.8891 -8.8775 -8.8734 -8.8727 -8.8708 4.0310 4.0740 5.9109 6.0861 6.1310 6.5935 6.6799 7.0051 7.1711 7.3901 7.6025 7.7417 8.1715 8.2607 9.2361 9.4748 10.5235 10.5522 11.9386 12.0155 12.1055 12.1277 12.1542 12.2169 12.2763 12.3073 12.3492 12.3929 16.1323 16.2860 k = 0.4375 0.1083 0.6124 ( 5162 PWs) bands (ev): -66.1200 -66.1200 -35.9103 -35.9102 -34.7100 -34.7098 -34.7098 -34.7097 -9.9148 -9.9139 -9.9125 -9.9099 -8.8894 -8.8891 -8.8775 -8.8735 -8.8727 -8.8707 4.0277 4.0696 5.8999 6.0924 6.1296 6.5903 6.6717 7.0085 7.1822 7.3929 7.5853 7.7445 8.1553 8.2466 9.2696 9.4936 10.5384 10.5708 11.9285 12.0098 12.1073 12.1290 12.1560 12.2204 12.2921 12.3291 12.3604 12.4209 15.9667 16.1140 k = 0.4306 0.1203 0.6124 ( 5154 PWs) bands (ev): -66.1192 -66.1192 -35.9103 -35.9101 -34.7100 -34.7098 -34.7097 -34.7096 -9.9148 -9.9140 -9.9124 -9.9099 -8.8894 -8.8891 -8.8775 -8.8736 -8.8727 -8.8706 4.0247 4.0655 5.8896 6.0979 6.1286 6.5879 6.6644 7.0091 7.1964 7.3956 7.5663 7.7478 8.1404 8.2333 9.3007 9.5108 10.5540 10.5904 11.9226 12.0067 12.1127 12.1335 12.1600 12.2253 12.3071 12.3509 12.3851 12.4577 15.8097 15.9502 k = 0.4236 0.1323 0.6124 ( 5154 PWs) bands (ev): -66.1192 -66.1192 -35.9103 -35.9101 -34.7100 -34.7098 -34.7097 -34.7096 -9.9148 -9.9140 -9.9123 -9.9100 -8.8894 -8.8891 -8.8775 -8.8737 -8.8727 -8.8705 4.0218 4.0615 5.8803 6.1022 6.1283 6.5863 6.6579 7.0073 7.2131 7.3979 7.5455 7.7515 8.1268 8.2207 9.3287 9.5258 10.5694 10.6094 11.9141 12.0009 12.1163 12.1360 12.1611 12.2267 12.3160 12.3604 12.4231 12.4981 15.6622 15.7952 k = 0.4167 0.1443 0.6124 ( 5160 PWs) bands (ev): -66.1197 -66.1197 -35.9103 -35.9102 -34.7100 -34.7098 -34.7098 -34.7096 -9.9148 -9.9141 -9.9123 -9.9100 -8.8894 -8.8891 -8.8775 -8.8737 -8.8727 -8.8704 4.0191 4.0578 5.8721 6.1053 6.1286 6.5854 6.6524 7.0038 7.2319 7.3999 7.5235 7.7553 8.1147 8.2094 9.3531 9.5384 10.5831 10.6266 11.9055 11.9938 12.1177 12.1376 12.1606 12.2279 12.3223 12.3657 12.4620 12.5368 15.5274 15.6518 k = 0.4097 0.1564 0.6124 ( 5154 PWs) bands (ev): -66.1192 -66.1191 -35.9103 -35.9101 -34.7100 -34.7098 -34.7097 -34.7096 -9.9148 -9.9141 -9.9122 -9.9101 -8.8895 -8.8891 -8.8775 -8.8738 -8.8727 -8.8703 4.0169 4.0546 5.8650 6.1072 6.1295 6.5851 6.6479 6.9993 7.2526 7.4015 7.5007 7.7589 8.1043 8.1997 9.3740 9.5489 10.5969 10.6437 11.9012 11.9905 12.1231 12.1434 12.1615 12.2302 12.3297 12.3715 12.5065 12.5787 15.4080 15.5228 k = 0.4028 0.1684 0.6124 ( 5156 PWs) bands (ev): -66.1193 -66.1193 -35.9103 -35.9101 -34.7100 -34.7098 -34.7097 -34.7096 -9.9147 -9.9141 -9.9121 -9.9101 -8.8895 -8.8891 -8.8774 -8.8739 -8.8727 -8.8703 4.0149 4.0518 5.8590 6.1083 6.1307 6.5852 6.6442 6.9945 7.2746 7.4024 7.4775 7.7622 8.0956 8.1915 9.3910 9.5573 10.6078 10.6574 11.8964 11.9862 12.1244 12.1455 12.1600 12.2305 12.3349 12.3751 12.5471 12.6153 15.3061 15.4102 k = 0.3958 0.1804 0.6124 ( 5156 PWs) bands (ev): -66.1193 -66.1193 -35.9103 -35.9101 -34.7100 -34.7098 -34.7097 -34.7096 -9.9147 -9.9142 -9.9121 -9.9102 -8.8895 -8.8891 -8.8774 -8.8739 -8.8727 -8.8702 4.0134 4.0496 5.8544 6.1088 6.1320 6.5854 6.6416 6.9900 7.2975 7.4022 7.4546 7.7650 8.0888 8.1851 9.4042 9.5637 10.6171 10.6688 11.8920 11.9821 12.1263 12.1473 12.1600 12.2314 12.3391 12.3782 12.5845 12.6477 15.2242 15.3172 k = 0.3889 0.1925 0.6124 ( 5153 PWs) bands (ev): -66.1190 -66.1190 -35.9103 -35.9101 -34.7100 -34.7098 -34.7097 -34.7096 -9.9147 -9.9142 -9.9121 -9.9102 -8.8895 -8.8891 -8.8774 -8.8740 -8.8727 -8.8702 4.0123 4.0480 5.8511 6.1089 6.1331 6.5857 6.6398 6.9864 7.3210 7.3990 7.4344 7.7670 8.0839 8.1805 9.4137 9.5681 10.6240 10.6773 11.8904 11.9809 12.1283 12.1511 12.1586 12.2321 12.3435 12.3816 12.6145 12.6723 15.1647 15.2472 k = 0.3819 0.2045 0.6124 ( 5157 PWs) bands (ev): -66.1194 -66.1194 -35.9103 -35.9102 -34.7100 -34.7098 -34.7097 -34.7096 -9.9147 -9.9142 -9.9120 -9.9102 -8.8895 -8.8891 -8.8774 -8.8740 -8.8727 -8.8702 4.0116 4.0470 5.8490 6.1090 6.1338 6.5859 6.6387 6.9840 7.3445 7.3876 7.4220 7.7683 8.0809 8.1776 9.4193 9.5707 10.6277 10.6821 11.8869 11.9782 12.1286 12.1530 12.1571 12.2325 12.3423 12.3810 12.6332 12.6869 15.1283 15.2027 k = 0.3750 0.2165 0.6124 ( 5174 PWs) bands (ev): -66.1210 -66.1210 -35.9103 -35.9102 -34.7101 -34.7099 -34.7098 -34.7097 -9.9147 -9.9142 -9.9120 -9.9102 -8.8895 -8.8891 -8.8774 -8.8740 -8.8727 -8.8702 4.0113 4.0466 5.8483 6.1089 6.1340 6.5859 6.6383 6.9831 7.3649 7.3699 7.4188 7.7688 8.0798 8.1764 9.4210 9.5715 10.6274 10.6821 11.8823 11.9736 12.1241 12.1489 12.1522 12.2280 12.3377 12.3763 12.6364 12.6887 15.1155 15.1868 k = 0.3750 0.2165 0.6124 ( 5174 PWs) bands (ev): -66.1210 -66.1210 -35.9103 -35.9102 -34.7101 -34.7099 -34.7098 -34.7097 -9.9147 -9.9142 -9.9120 -9.9102 -8.8895 -8.8891 -8.8774 -8.8740 -8.8727 -8.8702 4.0113 4.0466 5.8483 6.1089 6.1340 6.5859 6.6383 6.9831 7.3649 7.3699 7.4188 7.7688 8.0798 8.1764 9.4210 9.5715 10.6274 10.6821 11.8823 11.9736 12.1241 12.1489 12.1522 12.2280 12.3377 12.3763 12.6364 12.6887 15.1155 15.1868 k = 0.3679 0.2124 0.6008 ( 5156 PWs) bands (ev): -66.1193 -66.1193 -35.9103 -35.9101 -34.7100 -34.7098 -34.7098 -34.7096 -9.9147 -9.9143 -9.9119 -9.9103 -8.8895 -8.8890 -8.8774 -8.8739 -8.8728 -8.8702 4.0020 4.0374 5.8546 6.1070 6.1366 6.5782 6.6427 6.9919 7.3319 7.3431 7.4226 7.7641 8.0948 8.2166 9.3834 9.5244 10.6374 10.6933 11.9001 11.9908 12.1337 12.1542 12.1581 12.2391 12.3423 12.3824 12.7170 12.7672 15.1534 15.2193 k = 0.3608 0.2083 0.5893 ( 5156 PWs) bands (ev): -66.1193 -66.1193 -35.9103 -35.9101 -34.7100 -34.7098 -34.7097 -34.7096 -9.9146 -9.9143 -9.9118 -9.9103 -8.8895 -8.8890 -8.8774 -8.8738 -8.8730 -8.8702 3.9910 4.0262 5.8607 6.0940 6.1463 6.5663 6.6503 6.9970 7.2992 7.3138 7.4351 7.7598 8.1095 8.2560 9.3547 9.4847 10.6457 10.7029 11.9116 12.0002 12.1383 12.1553 12.1596 12.2448 12.3477 12.3870 12.7959 12.8451 15.1874 15.2480 k = 0.3538 0.2043 0.5777 ( 5156 PWs) bands (ev): -66.1194 -66.1193 -35.9103 -35.9101 -34.7100 -34.7098 -34.7097 -34.7096 -9.9146 -9.9144 -9.9117 -9.9103 -8.8894 -8.8889 -8.8775 -8.8737 -8.8732 -8.8702 3.9781 4.0128 5.8665 6.0799 6.1523 6.5499 6.6621 6.9988 7.2674 7.2865 7.4524 7.7560 8.1244 8.2949 9.3349 9.4529 10.6552 10.7137 11.9241 12.0097 12.1417 12.1542 12.1608 12.2515 12.3548 12.3923 12.8784 12.9268 15.2191 15.2745 k = 0.3467 0.2002 0.5662 ( 5160 PWs) bands (ev): -66.1197 -66.1197 -35.9103 -35.9102 -34.7100 -34.7098 -34.7097 -34.7096 -9.9146 -9.9144 -9.9116 -9.9104 -8.8894 -8.8888 -8.8775 -8.8736 -8.8733 -8.8702 3.9630 3.9971 5.8720 6.0659 6.1528 6.5287 6.6786 6.9978 7.2370 7.2626 7.4729 7.7527 8.1400 8.3327 9.3240 9.4294 10.6651 10.7247 11.9352 12.0168 12.1441 12.1496 12.1608 12.2593 12.3639 12.3988 12.9629 13.0106 15.2487 15.2989 k = 0.3396 0.1961 0.5546 ( 5162 PWs) bands (ev): -66.1199 -66.1199 -35.9103 -35.9102 -34.7100 -34.7099 -34.7097 -34.7097 -9.9146 -9.9144 -9.9115 -9.9104 -8.8894 -8.8888 -8.8774 -8.8736 -8.8735 -8.8702 3.9457 3.9788 5.8772 6.0522 6.1475 6.5025 6.6999 6.9945 7.2081 7.2428 7.4954 7.7499 8.1569 8.3694 9.3216 9.4143 10.6760 10.7367 11.9462 12.0231 12.1467 12.1480 12.1628 12.2693 12.3746 12.4064 13.0498 13.0975 15.2766 15.3217 k = 0.3325 0.1920 0.5430 ( 5188 PWs) bands (ev): -66.1223 -66.1223 -35.9104 -35.9102 -34.7101 -34.7099 -34.7098 -34.7097 -9.9145 -9.9144 -9.9114 -9.9105 -8.8894 -8.8887 -8.8774 -8.8737 -8.8734 -8.8702 3.9258 3.9578 5.8819 6.0389 6.1365 6.4718 6.7255 6.9894 7.1809 7.2273 7.5187 7.7477 8.1757 8.4040 9.3272 9.4077 10.6854 10.7470 11.9476 12.0193 12.1386 12.1466 12.1595 12.2718 12.3822 12.4082 13.1356 13.1835 15.3021 15.3420 k = 0.3255 0.1879 0.5315 ( 5166 PWs) bands (ev): -66.1203 -66.1203 -35.9103 -35.9102 -34.7100 -34.7099 -34.7097 -34.7096 -9.9145 -9.9145 -9.9113 -9.9106 -8.8894 -8.8887 -8.8774 -8.8738 -8.8734 -8.8702 3.9034 3.9340 5.8862 6.0261 6.1207 6.4375 6.7551 6.9833 7.1563 7.2163 7.5416 7.7462 8.1981 8.4384 9.3408 9.4102 10.7026 10.7652 11.9593 12.0258 12.1433 12.1574 12.1730 12.2912 12.4030 12.4244 13.2328 13.2809 15.3284 15.3633 k = 0.3184 0.1838 0.5199 ( 5172 PWs) bands (ev): -66.1209 -66.1208 -35.9103 -35.9102 -34.7100 -34.7099 -34.7097 -34.7096 -9.9145 -9.9145 -9.9113 -9.9107 -8.8894 -8.8887 -8.8774 -8.8740 -8.8733 -8.8702 3.8781 3.9072 5.8899 6.0136 6.1009 6.4003 6.7874 6.9760 7.1338 7.2090 7.5628 7.7451 8.2244 8.4709 9.3613 9.4209 10.7165 10.7799 11.9590 12.0209 12.1393 12.1576 12.1851 12.3069 12.4202 12.4370 13.3262 13.3748 15.3530 15.3826 k = 0.3113 0.1797 0.5084 ( 5176 PWs) bands (ev): -66.1212 -66.1212 -35.9103 -35.9102 -34.7100 -34.7099 -34.7097 -34.7097 -9.9145 -9.9144 -9.9112 -9.9108 -8.8895 -8.8887 -8.8774 -8.8741 -8.8733 -8.8702 3.8500 3.8774 5.8931 6.0014 6.0784 6.3614 6.8216 6.9680 7.1137 7.2053 7.5814 7.7445 8.2558 8.5028 9.3882 9.4397 10.7303 10.7945 11.9637 12.0207 12.1334 12.1547 12.2003 12.3248 12.4386 12.4510 13.4202 13.4696 15.3776 15.4019 k = 0.3042 0.1757 0.4968 ( 5174 PWs) bands (ev): -66.1211 -66.1211 -35.9103 -35.9102 -34.7100 -34.7099 -34.7097 -34.7096 -9.9145 -9.9144 -9.9111 -9.9109 -8.8895 -8.8887 -8.8773 -8.8743 -8.8733 -8.8701 3.8189 3.8444 5.8956 5.9895 6.0540 6.3219 6.8563 6.9595 7.0964 7.2045 7.5967 7.7443 8.2932 8.5346 9.4210 9.4662 10.7464 10.8112 11.9667 12.0191 12.1308 12.1548 12.2200 12.3452 12.4611 12.4679 13.5171 13.5676 15.4020 15.4210 k = 0.2972 0.1716 0.4853 ( 5170 PWs) bands (ev): -66.1207 -66.1207 -35.9103 -35.9102 -34.7100 -34.7099 -34.7097 -34.7096 -9.9144 -9.9144 -9.9110 -9.9110 -8.8895 -8.8887 -8.8773 -8.8744 -8.8733 -8.8701 3.7847 3.8084 5.8975 5.9776 6.0289 6.2826 6.8903 6.9507 7.0824 7.2063 7.6081 7.7445 8.3367 8.5666 9.4591 9.4998 10.7640 10.8292 11.9716 12.0196 12.1274 12.1538 12.2417 12.3690 12.4828 12.4862 13.6162 13.6678 15.4265 15.4399 k = 0.2901 0.1675 0.4737 ( 5164 PWs) bands (ev): -66.1201 -66.1201 -35.9103 -35.9102 -34.7100 -34.7099 -34.7096 -34.7096 -9.9144 -9.9144 -9.9111 -9.9110 -8.8896 -8.8887 -8.8773 -8.8745 -8.8733 -8.8701 3.7475 3.7692 5.8985 5.9654 6.0043 6.2445 6.9213 6.9416 7.0730 7.2101 7.6156 7.7448 8.3869 8.6001 9.5020 9.5398 10.7811 10.8467 11.9751 12.0189 12.1231 12.1516 12.2689 12.3960 12.5093 12.5109 13.7146 13.7677 15.4514 15.4591 k = 0.2830 0.1634 0.4622 ( 5160 PWs) bands (ev): -66.1197 -66.1197 -35.9103 -35.9101 -34.7100 -34.7099 -34.7096 -34.7096 -9.9144 -9.9144 -9.9112 -9.9110 -8.8897 -8.8888 -8.8772 -8.8747 -8.8733 -8.8701 3.7073 3.7270 5.8987 5.9518 5.9817 6.2083 6.9324 6.9463 7.0706 7.2155 7.6193 7.7453 8.4431 8.6352 9.5493 9.5855 10.7999 10.8658 11.9766 12.0162 12.1202 12.1506 12.2958 12.4263 12.5322 12.5348 13.8147 13.8694 15.4763 15.4780 k = 0.2759 0.1593 0.4506 ( 5164 PWs) bands (ev): -66.1201 -66.1201 -35.9103 -35.9102 -34.7100 -34.7099 -34.7096 -34.7096 -9.9144 -9.9143 -9.9113 -9.9109 -8.8897 -8.8889 -8.8772 -8.8748 -8.8733 -8.8701 3.6641 3.6819 5.8980 5.9352 5.9633 6.1746 6.9232 6.9614 7.0783 7.2221 7.6195 7.7457 8.5051 8.6727 9.6001 9.6361 10.8179 10.8840 11.9737 12.0092 12.1152 12.1472 12.3232 12.4576 12.5562 12.5589 13.9136 13.9703 15.4969 15.5014 k = 0.2689 0.1552 0.4391 ( 5160 PWs) bands (ev): -66.1197 -66.1197 -35.9103 -35.9101 -34.7100 -34.7099 -34.7096 -34.7096 -9.9143 -9.9143 -9.9115 -9.9109 -8.8898 -8.8889 -8.8771 -8.8749 -8.8733 -8.8701 3.6182 3.6341 5.8962 5.9158 5.9493 6.1438 6.9142 6.9661 7.0960 7.2296 7.6166 7.7458 8.5727 8.7138 9.6544 9.6909 10.8368 10.9030 11.9796 12.0109 12.1103 12.1439 12.3534 12.4917 12.5822 12.5844 14.0131 14.0720 15.5165 15.5275 k = 0.2618 0.1511 0.4275 ( 5170 PWs) bands (ev): -66.1206 -66.1206 -35.9103 -35.9102 -34.7100 -34.7099 -34.7096 -34.7096 -9.9143 -9.9143 -9.9116 -9.9109 -8.8899 -8.8890 -8.8771 -8.8750 -8.8734 -8.8701 3.5697 3.5837 5.8934 5.8956 5.9382 6.1161 6.9053 6.9638 7.1199 7.2377 7.6112 7.7456 8.6449 8.7585 9.7113 9.7491 10.8532 10.9195 11.9787 12.0059 12.1027 12.1375 12.3822 12.5269 12.6076 12.6084 14.1090 14.1705 15.5362 15.5539 k = 0.2547 0.1471 0.4160 ( 5174 PWs) bands (ev): -66.1210 -66.1210 -35.9103 -35.9102 -34.7100 -34.7099 -34.7096 -34.7096 -9.9143 -9.9143 -9.9117 -9.9109 -8.8900 -8.8891 -8.8770 -8.8751 -8.8734 -8.8702 3.5187 3.5311 5.8761 5.8895 5.9284 6.0919 6.8968 6.9581 7.1461 7.2463 7.6036 7.7449 8.7216 8.8075 9.7708 9.8103 10.8723 10.9385 11.9774 12.0006 12.0969 12.1329 12.4133 12.5649 12.6338 12.6388 14.2070 14.2712 15.5563 15.5810 k = 0.2476 0.1430 0.4044 ( 5168 PWs) bands (ev): -66.1204 -66.1204 -35.9103 -35.9102 -34.7100 -34.7099 -34.7096 -34.7096 -9.9143 -9.9142 -9.9119 -9.9109 -8.8901 -8.8892 -8.8770 -8.8753 -8.8735 -8.8702 3.4656 3.4764 5.8580 5.8848 5.9196 6.0709 6.8888 6.9511 7.1724 7.2553 7.5944 7.7436 8.8023 8.8614 9.8327 9.8742 10.8945 10.9605 11.9772 11.9962 12.0957 12.1328 12.4469 12.6066 12.6632 12.6741 14.3062 14.3733 15.5770 15.6089 k = 0.2406 0.1389 0.3928 ( 5172 PWs) bands (ev): -66.1208 -66.1208 -35.9103 -35.9102 -34.7100 -34.7099 -34.7096 -34.7096 -9.9143 -9.9142 -9.9120 -9.9109 -8.8902 -8.8893 -8.8769 -8.8754 -8.8736 -8.8702 3.4107 3.4200 5.8415 5.8792 5.9113 6.0531 6.8810 6.9433 7.1978 7.2644 7.5839 7.7415 8.8862 8.9200 9.8961 9.9395 10.9135 10.9791 11.9810 11.9961 12.0884 12.1264 12.4794 12.6460 12.6927 12.7085 14.4014 14.4717 15.5982 15.6375 k = 0.2335 0.1348 0.3813 ( 5160 PWs) bands (ev): -66.1196 -66.1196 -35.9103 -35.9101 -34.7099 -34.7099 -34.7096 -34.7096 -9.9143 -9.9141 -9.9121 -9.9109 -8.8903 -8.8895 -8.8768 -8.8755 -8.8737 -8.8703 3.3541 3.3621 5.8269 5.8732 5.9036 6.0381 6.8739 6.9356 7.2218 7.2735 7.5725 7.7389 8.9738 8.9836 9.9624 10.0082 10.9358 11.0010 11.9841 11.9949 12.0850 12.1241 12.5145 12.6857 12.7378 12.7562 14.4976 14.5713 15.6198 15.6667 k = 0.2264 0.1307 0.3697 ( 5156 PWs) bands (ev): -66.1193 -66.1193 -35.9102 -35.9101 -34.7099 -34.7099 -34.7095 -34.7095 -9.9143 -9.9141 -9.9123 -9.9109 -8.8904 -8.8896 -8.8768 -8.8755 -8.8738 -8.8704 3.2963 3.3031 5.8140 5.8669 5.8964 6.0255 6.8672 6.9278 7.2442 7.2827 7.5604 7.7354 9.0517 9.0636 10.0293 10.0772 10.9568 11.0216 11.9862 11.9929 12.0810 12.1207 12.5474 12.7168 12.7892 12.8044 14.5896 14.6671 15.6416 15.6963 k = 0.2193 0.1266 0.3582 ( 5144 PWs) bands (ev): -66.1181 -66.1181 -35.9102 -35.9101 -34.7099 -34.7098 -34.7095 -34.7095 -9.9144 -9.9140 -9.9124 -9.9109 -8.8905 -8.8897 -8.8767 -8.8756 -8.8739 -8.8704 3.2375 3.2432 5.8030 5.8608 5.8896 6.0149 6.8611 6.9203 7.2649 7.2917 7.5479 7.7311 9.1245 9.1558 10.0971 10.1468 10.9802 11.0443 11.9924 11.9950 12.0789 12.1195 12.5820 12.7472 12.8464 12.8563 14.6812 14.7626 15.6636 15.7262 k = 0.2123 0.1226 0.3466 ( 5146 PWs) bands (ev): -66.1183 -66.1183 -35.9102 -35.9101 -34.7098 -34.7098 -34.7095 -34.7095 -9.9144 -9.9140 -9.9125 -9.9110 -8.8906 -8.8899 -8.8766 -8.8757 -8.8740 -8.8705 3.1780 3.1828 5.7935 5.8549 5.8831 6.0057 6.8553 6.9128 7.2839 7.3005 7.5351 7.7260 9.2011 9.2494 10.1652 10.2163 10.9998 11.0632 11.9937 11.9951 12.0720 12.1131 12.6145 12.7740 12.9065 12.9098 14.7665 14.8522 15.6855 15.7559 k = 0.2052 0.1185 0.3351 ( 5142 PWs) bands (ev): -66.1180 -66.1180 -35.9102 -35.9101 -34.7098 -34.7098 -34.7095 -34.7095 -9.9144 -9.9139 -9.9126 -9.9110 -8.8907 -8.8900 -8.8766 -8.8758 -8.8742 -8.8706 3.1182 3.1222 5.7857 5.8496 5.8771 5.9977 6.8502 6.9057 7.3014 7.3092 7.5224 7.7202 9.2818 9.3448 10.2339 10.2863 11.0205 11.0830 11.9935 11.9991 12.0667 12.1082 12.6472 12.8009 12.9707 12.9740 14.8489 14.9392 15.7071 15.7853 k = 0.1981 0.1144 0.3235 ( 5142 PWs) bands (ev): -66.1180 -66.1180 -35.9102 -35.9101 -34.7098 -34.7098 -34.7095 -34.7095 -9.9144 -9.9139 -9.9127 -9.9111 -8.8908 -8.8902 -8.8765 -8.8759 -8.8743 -8.8707 3.0582 3.0615 5.7792 5.8450 5.8714 5.9905 6.8455 6.8988 7.3175 7.3175 7.5097 7.7137 9.3656 9.4410 10.3021 10.3553 11.0409 11.1026 11.9923 12.0019 12.0615 12.1034 12.6791 12.8266 13.0337 13.0437 14.9268 15.0219 15.7281 15.8139 k = 0.1910 0.1103 0.3120 ( 5146 PWs) bands (ev): -66.1184 -66.1184 -35.9102 -35.9101 -34.7098 -34.7098 -34.7095 -34.7095 -9.9144 -9.9138 -9.9129 -9.9112 -8.8910 -8.8903 -8.8764 -8.8759 -8.8744 -8.8708 2.9984 3.0011 5.7741 5.8412 5.8661 5.9839 6.8414 6.8922 7.3256 7.3322 7.4974 7.7065 9.4521 9.5374 10.3695 10.4228 11.0606 11.1211 11.9910 12.0046 12.0559 12.0980 12.7107 12.8519 13.0989 13.1156 14.9991 15.0993 15.7481 15.8411 k = 0.1840 0.1062 0.3004 ( 5146 PWs) bands (ev): -66.1184 -66.1183 -35.9102 -35.9101 -34.7098 -34.7098 -34.7095 -34.7095 -9.9145 -9.9138 -9.9130 -9.9112 -8.8911 -8.8905 -8.8764 -8.8760 -8.8746 -8.8710 2.9391 2.9413 5.7703 5.8381 5.8612 5.9777 6.8378 6.8859 7.3334 7.3457 7.4855 7.6989 9.5410 9.6344 10.4368 10.4900 11.0800 11.1395 11.9936 12.0111 12.0509 12.0929 12.7416 12.8761 13.1708 13.1940 15.0658 15.1712 15.7668 15.8664 k = 0.1769 0.1021 0.2889 ( 5154 PWs) bands (ev): -66.1191 -66.1191 -35.9102 -35.9101 -34.7098 -34.7098 -34.7095 -34.7095 -9.9145 -9.9137 -9.9131 -9.9113 -8.8912 -8.8907 -8.8763 -8.8761 -8.8747 -8.8711 2.8804 2.8822 5.7675 5.8358 5.8565 5.9717 6.8346 6.8799 7.3409 7.3580 7.4740 7.6907 9.6320 9.7309 10.5024 10.5548 11.0975 11.1558 11.9914 12.0129 12.0440 12.0856 12.7747 12.9026 13.2449 13.2748 15.1246 15.2355 15.7835 15.8890 k = 0.1698 0.0980 0.2773 ( 5138 PWs) bands (ev): -66.1176 -66.1176 -35.9102 -35.9101 -34.7097 -34.7097 -34.7094 -34.7094 -9.9145 -9.9137 -9.9132 -9.9114 -8.8913 -8.8908 -8.8763 -8.8761 -8.8749 -8.8713 2.8227 2.8240 5.7657 5.8342 5.8523 5.9658 6.8321 6.8743 7.3481 7.3695 7.4635 7.6822 9.7262 9.8293 10.5683 10.6204 11.1204 11.1774 11.9926 12.0183 12.0454 12.0869 12.8127 12.9343 13.3295 13.3655 15.1808 15.2970 15.7983 15.9087 k = 0.1627 0.0940 0.2657 ( 5142 PWs) bands (ev): -66.1180 -66.1180 -35.9102 -35.9101 -34.7097 -34.7097 -34.7094 -34.7094 -9.9146 -9.9137 -9.9133 -9.9115 -8.8914 -8.8910 -8.8762 -8.8762 -8.8750 -8.8715 2.7660 2.7671 5.7647 5.8331 5.8484 5.9601 6.8299 6.8691 7.3550 7.3800 7.4535 7.6733 9.8202 9.9254 10.6311 10.6820 11.1380 11.1937 11.9912 12.0208 12.0406 12.0816 12.8483 12.9629 13.4135 13.4561 15.2265 15.3481 15.8105 15.9242 k = 0.1557 0.0899 0.2542 ( 5150 PWs) bands (ev): -66.1188 -66.1188 -35.9102 -35.9101 -34.7098 -34.7098 -34.7094 -34.7094 -9.9146 -9.9136 -9.9133 -9.9116 -8.8916 -8.8912 -8.8762 -8.8761 -8.8752 -8.8716 2.7106 2.7114 5.7645 5.8326 5.8448 5.9543 6.8282 6.8641 7.3615 7.3896 7.4442 7.6640 9.9143 10.0199 10.6904 10.7399 11.1553 11.2095 11.9874 12.0208 12.0367 12.0771 12.8844 12.9920 13.5005 13.5498 15.2652 15.3919 15.8197 15.9350 k = 0.1486 0.0858 0.2426 ( 5144 PWs) bands (ev): -66.1182 -66.1182 -35.9102 -35.9101 -34.7097 -34.7097 -34.7094 -34.7094 -9.9146 -9.9136 -9.9134 -9.9117 -8.8917 -8.8913 -8.8762 -8.8761 -8.8753 -8.8718 2.6567 2.6574 5.7649 5.8325 5.8415 5.9485 6.8269 6.8596 7.3678 7.3985 7.4360 7.6546 10.0098 10.1146 10.7494 10.7976 11.1743 11.2268 11.9876 12.0242 12.0370 12.0771 12.9247 13.0247 13.5945 13.6504 15.2982 15.4295 15.8264 15.9411 k = 0.1415 0.0817 0.2311 ( 5148 PWs) bands (ev): -66.1186 -66.1186 -35.9102 -35.9101 -34.7097 -34.7097 -34.7094 -34.7094 -9.9146 -9.9136 -9.9135 -9.9118 -8.8918 -8.8915 -8.8763 -8.8760 -8.8754 -8.8720 2.6044 2.6049 5.7659 5.8327 5.8385 5.9427 6.8260 6.8555 7.3738 7.4066 7.4285 7.6448 10.1031 10.2050 10.8045 10.8501 11.1908 11.2414 11.9895 12.0290 12.0355 12.0746 12.9663 13.0581 13.6869 13.7501 15.3228 15.4581 15.8302 15.9418 k = 0.1344 0.0776 0.2195 ( 5142 PWs) bands (ev): -66.1181 -66.1181 -35.9101 -35.9101 -34.7097 -34.7097 -34.7094 -34.7094 -9.9146 -9.9136 -9.9136 -9.9119 -8.8919 -8.8916 -8.8763 -8.8760 -8.8756 -8.8722 2.5540 2.5544 5.7674 5.8332 5.8359 5.9368 6.8254 6.8518 7.3796 7.4141 7.4220 7.6349 10.1970 10.2952 10.8580 10.9015 11.2078 11.2565 11.9934 12.0355 12.0373 12.0756 13.0119 13.0952 13.7859 13.8561 15.3415 15.4801 15.8313 15.9374 k = 0.1274 0.0735 0.2080 ( 5150 PWs) bands (ev): -66.1188 -66.1188 -35.9101 -35.9101 -34.7097 -34.7097 -34.7094 -34.7094 -9.9147 -9.9136 -9.9136 -9.9120 -8.8920 -8.8918 -8.8763 -8.8760 -8.8757 -8.8724 2.5054 2.5057 5.7693 5.8335 5.8339 5.9309 6.8251 6.8485 7.3851 7.4163 7.4208 7.6249 10.2875 10.3803 10.9068 10.9472 11.2211 11.2678 11.9958 12.0353 12.0404 12.0719 13.0591 13.1336 13.8839 13.9618 15.3521 15.4932 15.8293 15.9270 k = 0.1203 0.0694 0.1964 ( 5126 PWs) bands (ev): -66.1166 -66.1166 -35.9101 -35.9101 -34.7096 -34.7096 -34.7094 -34.7094 -9.9147 -9.9137 -9.9136 -9.9121 -8.8921 -8.8919 -8.8763 -8.8759 -8.8758 -8.8727 2.4589 2.4591 5.7715 5.8315 5.8347 5.9250 6.8252 6.8456 7.3904 7.4119 7.4271 7.6149 10.3806 10.4686 10.9560 10.9953 11.2400 11.2846 12.0043 12.0441 12.0499 12.0804 13.1123 13.1781 13.9916 14.0766 15.3601 15.5028 15.8252 15.9124 k = 0.1132 0.0654 0.1849 ( 5122 PWs) bands (ev): -66.1163 -66.1162 -35.9101 -35.9101 -34.7096 -34.7096 -34.7094 -34.7093 -9.9147 -9.9137 -9.9136 -9.9122 -8.8923 -8.8921 -8.8763 -8.8759 -8.8759 -8.8729 2.4146 2.4147 5.7741 5.8297 5.8355 5.9190 6.8255 6.8431 7.3956 7.4081 7.4327 7.6047 10.4682 10.5495 10.9995 11.0360 11.2540 11.2964 12.0111 12.0467 12.0584 12.0810 13.1673 13.2240 14.0954 14.1882 15.3606 15.5044 15.8178 15.8923 k = 0.1061 0.0613 0.1733 ( 5106 PWs) bands (ev): -66.1148 -66.1148 -35.9101 -35.9100 -34.7095 -34.7095 -34.7093 -34.7093 -9.9147 -9.9138 -9.9136 -9.9124 -8.8924 -8.8922 -8.8763 -8.8760 -8.8759 -8.8731 2.3725 2.3726 5.7769 5.8282 5.8364 5.9130 6.8260 6.8410 7.4005 7.4054 7.4378 7.5945 10.5543 10.6281 11.0446 11.0777 11.2699 11.3102 12.0201 12.0523 12.0672 12.0849 13.2272 13.2746 14.2013 14.3020 15.3577 15.5019 15.8084 15.8686 k = 0.0991 0.0572 0.1618 ( 5106 PWs) bands (ev): -66.1148 -66.1148 -35.9101 -35.9100 -34.7095 -34.7095 -34.7093 -34.7093 -9.9147 -9.9138 -9.9136 -9.9125 -8.8925 -8.8923 -8.8763 -8.8761 -8.8758 -8.8733 2.3327 2.3328 5.7798 5.8269 5.8371 5.9070 6.8266 6.8393 7.4034 7.4053 7.4423 7.5843 10.6344 10.6999 11.0821 11.1114 11.2821 11.3198 12.0253 12.0554 12.0719 12.0867 13.2886 13.3271 14.3047 14.4137 15.3505 15.4951 15.7948 15.8401 k = 0.0920 0.0531 0.1502 ( 5102 PWs) bands (ev): -66.1145 -66.1145 -35.9100 -35.9100 -34.7094 -34.7094 -34.7093 -34.7093 -9.9147 -9.9139 -9.9136 -9.9126 -8.8926 -8.8925 -8.8763 -8.8762 -8.8758 -8.8736 2.2954 2.2955 5.7829 5.8259 5.8377 5.9010 6.8274 6.8379 7.4025 7.4098 7.4463 7.5741 10.7109 10.7683 11.1167 11.1425 11.2944 11.3293 12.0317 12.0605 12.0767 12.0910 13.3534 13.3835 14.4079 14.5251 15.3409 15.4861 15.7780 15.8084 k = 0.0849 0.0490 0.1387 ( 5108 PWs) bands (ev): -66.1151 -66.1151 -35.9100 -35.9100 -34.7095 -34.7095 -34.7093 -34.7093 -9.9146 -9.9139 -9.9136 -9.9127 -8.8927 -8.8926 -8.8764 -8.8762 -8.8758 -8.8738 2.2605 2.2606 5.7861 5.8252 5.8382 5.8950 6.8283 6.8367 7.4023 7.4142 7.4497 7.5639 10.7805 10.8289 11.1476 11.1688 11.3043 11.3364 12.0360 12.0626 12.0790 12.0919 13.4205 13.4428 14.5074 14.6327 15.3289 15.4747 15.7576 15.7738 k = 0.0778 0.0449 0.1271 ( 5108 PWs) bands (ev): -66.1151 -66.1151 -35.9100 -35.9100 -34.7094 -34.7094 -34.7093 -34.7093 -9.9146 -9.9139 -9.9136 -9.9128 -8.8928 -8.8927 -8.8764 -8.8763 -8.8758 -8.8740 2.2283 2.2283 5.7895 5.8247 5.8386 5.8891 6.8293 6.8359 7.4030 7.4184 7.4526 7.5538 10.8456 10.8855 11.1766 11.1937 11.3145 11.3436 12.0422 12.0671 12.0825 12.0954 13.4902 13.5055 14.6044 14.7371 15.3165 15.4630 15.7342 15.7378 k = 0.0708 0.0409 0.1155 ( 5104 PWs) bands (ev): -66.1148 -66.1148 -35.9100 -35.9100 -34.7094 -34.7094 -34.7093 -34.7093 -9.9146 -9.9140 -9.9137 -9.9129 -8.8928 -8.8928 -8.8764 -8.8762 -8.8758 -8.8742 2.1986 2.1986 5.7929 5.8244 5.8387 5.8832 6.8302 6.8354 7.4045 7.4225 7.4551 7.5438 10.9056 10.9374 11.2053 11.2182 11.3242 11.3504 12.0492 12.0723 12.0864 12.0993 13.5617 13.5712 14.6971 14.8354 15.3049 15.4515 15.7012 15.7082 k = 0.0637 0.0368 0.1040 ( 5096 PWs) bands (ev): -66.1141 -66.1141 -35.9100 -35.9100 -34.7094 -34.7094 -34.7093 -34.7093 -9.9145 -9.9140 -9.9137 -9.9130 -8.8929 -8.8929 -8.8764 -8.8762 -8.8758 -8.8744 2.1716 2.1716 5.7965 5.8244 5.8387 5.8775 6.8312 6.8351 7.4068 7.4266 7.4570 7.5340 10.9593 10.9832 11.2333 11.2419 11.3350 11.3582 12.0572 12.0783 12.0910 12.1037 13.6342 13.6390 14.7832 14.9240 15.2963 15.4413 15.6648 15.6796 k = 0.0566 0.0327 0.0924 ( 5096 PWs) bands (ev): -66.1141 -66.1141 -35.9100 -35.9100 -34.7094 -34.7094 -34.7093 -34.7093 -9.9145 -9.9140 -9.9137 -9.9132 -8.8930 -8.8930 -8.8764 -8.8762 -8.8758 -8.8746 2.1474 2.1474 5.8000 5.8246 5.8385 5.8718 6.8322 6.8349 7.4098 7.4304 7.4584 7.5242 11.0046 11.0217 11.2581 11.2629 11.3428 11.3629 12.0632 12.0822 12.0934 12.1058 13.7062 13.7075 14.8603 14.9976 15.2939 15.4330 15.6291 15.6488 k = 0.0495 0.0286 0.0809 ( 5096 PWs) bands (ev): -66.1141 -66.1141 -35.9100 -35.9100 -34.7094 -34.7094 -34.7093 -34.7093 -9.9145 -9.9140 -9.9137 -9.9133 -8.8931 -8.8930 -8.8764 -8.8762 -8.8758 -8.8748 2.1259 2.1259 5.8037 5.8250 5.8381 5.8662 6.8331 6.8349 7.4134 7.4341 7.4594 7.5146 11.0426 11.0538 11.2815 11.2833 11.3497 11.3670 12.0690 12.0861 12.0955 12.1076 13.7758 13.7767 14.9266 15.0502 15.3034 15.4281 15.5952 15.6168 k = 0.0425 0.0245 0.0693 ( 5092 PWs) bands (ev): -66.1137 -66.1137 -35.9100 -35.9100 -34.7093 -34.7093 -34.7093 -34.7093 -9.9144 -9.9140 -9.9138 -9.9134 -8.8931 -8.8931 -8.8764 -8.8762 -8.8758 -8.8750 2.1072 2.1072 5.8074 5.8256 5.8376 5.8608 6.8339 6.8351 7.4176 7.4376 7.4599 7.5053 11.0744 11.0814 11.3044 11.3044 11.3566 11.3711 12.0754 12.0903 12.0982 12.1093 13.8424 13.8444 14.9804 15.0780 15.3280 15.4275 15.5641 15.5850 k = 0.0354 0.0204 0.0578 ( 5086 PWs) bands (ev): -66.1132 -66.1132 -35.9100 -35.9100 -34.7093 -34.7093 -34.7093 -34.7093 -9.9143 -9.9140 -9.9138 -9.9135 -8.8932 -8.8932 -8.8764 -8.8761 -8.8758 -8.8752 2.0913 2.0913 5.8112 5.8264 5.8369 5.8556 6.8346 6.8353 7.4225 7.4410 7.4600 7.4961 11.0993 11.1032 11.3243 11.3254 11.3635 11.3755 12.0831 12.0948 12.1022 12.1109 13.9054 13.9075 15.0198 15.0855 15.3625 15.4318 15.5365 15.5546 k = 0.0283 0.0163 0.0462 ( 5072 PWs) bands (ev): -66.1119 -66.1119 -35.9100 -35.9100 -34.7093 -34.7093 -34.7092 -34.7092 -9.9143 -9.9140 -9.9138 -9.9136 -8.8932 -8.8932 -8.8763 -8.8761 -8.8759 -8.8754 2.0784 2.0784 5.8151 5.8273 5.8360 5.8505 6.8352 6.8355 7.4280 7.4442 7.4597 7.4872 11.1202 11.1225 11.3451 11.3461 11.3711 11.3807 12.0915 12.1008 12.1068 12.1140 13.9625 13.9642 15.0452 15.0818 15.3984 15.4405 15.5133 15.5274 k = 0.0212 0.0123 0.0347 ( 5066 PWs) bands (ev): -66.1113 -66.1113 -35.9100 -35.9100 -34.7092 -34.7092 -34.7092 -34.7092 -9.9142 -9.9140 -9.9139 -9.9137 -8.8932 -8.8932 -8.8762 -8.8761 -8.8759 -8.8756 2.0682 2.0682 5.8191 5.8283 5.8351 5.8456 6.8356 6.8358 7.4340 7.4473 7.4591 7.4786 11.1335 11.1346 11.3606 11.3618 11.3742 11.3813 12.0991 12.1066 12.1104 12.1169 14.0109 14.0118 15.0575 15.0739 15.4291 15.4517 15.4947 15.5047 k = 0.0142 0.0082 0.0231 ( 5064 PWs) bands (ev): -66.1112 -66.1112 -35.9099 -35.9099 -34.7092 -34.7092 -34.7092 -34.7092 -9.9141 -9.9140 -9.9139 -9.9138 -8.8933 -8.8933 -8.8762 -8.8760 -8.8759 -8.8757 2.0610 2.0610 5.8232 5.8294 5.8340 5.8408 6.8359 6.8360 7.4404 7.4499 7.4579 7.4702 11.1433 11.1435 11.3725 11.3738 11.3786 11.3831 12.1026 12.1070 12.1101 12.1140 14.0480 14.0484 15.0612 15.0663 15.4519 15.4626 15.4814 15.4876 k = 0.0071 0.0041 0.0116 ( 5065 PWs) bands (ev): -66.1113 -66.1113 -35.9099 -35.9099 -34.7092 -34.7092 -34.7092 -34.7092 -9.9140 -9.9140 -9.9139 -9.9139 -8.8933 -8.8933 -8.8761 -8.8760 -8.8759 -8.8758 2.0566 2.0566 5.8274 5.8305 5.8329 5.8362 6.8361 6.8361 7.4472 7.4524 7.4564 7.4622 11.1478 11.1478 11.3792 11.3798 11.3803 11.3826 12.1061 12.1083 12.1098 12.1118 14.0714 14.0715 15.0605 15.0612 15.4661 15.4700 15.4737 15.4766 k = 0.0000 0.0000 0.0000 ( 5065 PWs) bands (ev): -66.1113 -66.1113 -35.9099 -35.9099 -34.7092 -34.7092 -34.7092 -34.7092 -9.9140 -9.9140 -9.9140 -9.9140 -8.8933 -8.8933 -8.8760 -8.8760 -8.8760 -8.8760 2.0552 2.0552 5.8317 5.8317 5.8317 5.8317 6.8362 6.8362 7.4545 7.4545 7.4545 7.4545 11.1494 11.1494 11.3817 11.3817 11.3817 11.3817 12.1093 12.1093 12.1093 12.1093 14.0794 14.0794 15.0596 15.0596 15.4719 15.4719 15.4719 15.4719 k = 0.0000 0.0000 0.0000 ( 5065 PWs) bands (ev): -66.1113 -66.1113 -35.9099 -35.9099 -34.7092 -34.7092 -34.7092 -34.7092 -9.9140 -9.9140 -9.9140 -9.9140 -8.8933 -8.8933 -8.8760 -8.8760 -8.8760 -8.8760 2.0552 2.0552 5.8317 5.8317 5.8317 5.8317 6.8362 6.8362 7.4545 7.4545 7.4545 7.4545 11.1494 11.1494 11.3817 11.3817 11.3817 11.3817 12.1093 12.1093 12.1093 12.1093 14.0794 14.0794 15.0596 15.0596 15.4719 15.4719 15.4719 15.4719 k = 0.0114 0.0066 0.0046 ( 5065 PWs) bands (ev): -66.1113 -66.1113 -35.9099 -35.9099 -34.7092 -34.7092 -34.7092 -34.7092 -9.9140 -9.9140 -9.9140 -9.9139 -8.8933 -8.8933 -8.8761 -8.8760 -8.8760 -8.8758 2.0566 2.0566 5.8273 5.8317 5.8317 5.8363 6.8361 6.8361 7.4471 7.4544 7.4544 7.4624 11.1479 11.1479 11.3795 11.3795 11.3803 11.3827 12.1061 12.1091 12.1091 12.1119 14.0717 14.0717 15.0609 15.0609 15.4684 15.4723 15.4723 15.4734 k = 0.0227 0.0131 0.0093 ( 5065 PWs) bands (ev): -66.1113 -66.1113 -35.9099 -35.9099 -34.7092 -34.7092 -34.7092 -34.7092 -9.9141 -9.9140 -9.9140 -9.9138 -8.8933 -8.8933 -8.8762 -8.8760 -8.8760 -8.8757 2.0608 2.0608 5.8231 5.8317 5.8317 5.8409 6.8360 6.8360 7.4402 7.4538 7.4538 7.4706 11.1433 11.1433 11.3729 11.3729 11.3785 11.3832 12.1024 12.1084 12.1084 12.1140 14.0490 14.0490 15.0642 15.0642 15.4628 15.4728 15.4735 15.4735 k = 0.0341 0.0197 0.0139 ( 5068 PWs) bands (ev): -66.1115 -66.1115 -35.9100 -35.9100 -34.7093 -34.7093 -34.7092 -34.7092 -9.9142 -9.9139 -9.9139 -9.9137 -8.8932 -8.8932 -8.8762 -8.8760 -8.8760 -8.8755 2.0678 2.0678 5.8190 5.8316 5.8316 5.8457 6.8357 6.8357 7.4338 7.4530 7.4530 7.4792 11.1338 11.1338 11.3599 11.3599 11.3756 11.3827 12.0988 12.1081 12.1081 12.1162 14.0127 14.0127 15.0684 15.0684 15.4554 15.4701 15.4749 15.4749 k = 0.0455 0.0262 0.0186 ( 5071 PWs) bands (ev): -66.1118 -66.1118 -35.9100 -35.9100 -34.7093 -34.7093 -34.7092 -34.7092 -9.9143 -9.9139 -9.9139 -9.9136 -8.8932 -8.8932 -8.8763 -8.8760 -8.8760 -8.8754 2.0776 2.0776 5.8152 5.8316 5.8316 5.8506 6.8354 6.8354 7.4278 7.4517 7.4517 7.4882 11.1207 11.1207 11.3447 11.3447 11.3718 11.3814 12.0938 12.1064 12.1064 12.1168 13.9646 13.9646 15.0722 15.0722 15.4462 15.4653 15.4760 15.4760 k = 0.0568 0.0328 0.0232 ( 5086 PWs) bands (ev): -66.1132 -66.1132 -35.9100 -35.9100 -34.7093 -34.7093 -34.7093 -34.7093 -9.9143 -9.9139 -9.9139 -9.9135 -8.8932 -8.8932 -8.8764 -8.8760 -8.8760 -8.8752 2.0901 2.0901 5.8116 5.8315 5.8315 5.8555 6.8350 6.8350 7.4223 7.4499 7.4499 7.4972 11.1018 11.1018 11.3261 11.3261 11.3660 11.3782 12.0820 12.0979 12.0979 12.1103 13.9068 13.9068 15.0742 15.0742 15.4352 15.4585 15.4760 15.4760 k = 0.0682 0.0394 0.0278 ( 5095 PWs) bands (ev): -66.1140 -66.1140 -35.9100 -35.9100 -34.7094 -34.7094 -34.7093 -34.7093 -9.9144 -9.9139 -9.9139 -9.9134 -8.8931 -8.8931 -8.8764 -8.8760 -8.8760 -8.8750 2.1055 2.1055 5.8082 5.8314 5.8314 5.8604 6.8345 6.8345 7.4174 7.4479 7.4479 7.5067 11.0773 11.0773 11.3061 11.3062 11.3601 11.3749 12.0729 12.0922 12.0922 12.1066 13.8414 13.8414 15.0736 15.0736 15.4227 15.4498 15.4738 15.4738 k = 0.0795 0.0459 0.0325 ( 5095 PWs) bands (ev): -66.1140 -66.1140 -35.9100 -35.9100 -34.7094 -34.7094 -34.7093 -34.7093 -9.9145 -9.9139 -9.9139 -9.9133 -8.8931 -8.8931 -8.8764 -8.8760 -8.8760 -8.8748 2.1236 2.1236 5.8050 5.8314 5.8314 5.8653 6.8341 6.8341 7.4132 7.4456 7.4456 7.5164 11.0467 11.0467 11.2873 11.2873 11.3553 11.3730 12.0671 12.0896 12.0896 12.1058 13.7704 13.7704 15.0700 15.0700 15.4089 15.4393 15.4685 15.4685 k = 0.0909 0.0525 0.0371 ( 5092 PWs) bands (ev): -66.1137 -66.1137 -35.9100 -35.9100 -34.7094 -34.7094 -34.7093 -34.7093 -9.9145 -9.9139 -9.9139 -9.9132 -8.8930 -8.8930 -8.8764 -8.8760 -8.8760 -8.8746 2.1443 2.1443 5.8022 5.8313 5.8313 5.8702 6.8337 6.8337 7.4096 7.4430 7.4430 7.5264 11.0081 11.0081 11.2692 11.2692 11.3503 11.3708 12.0624 12.0881 12.0881 12.1059 13.6956 13.6956 15.0634 15.0634 15.3941 15.4272 15.4590 15.4590 k = 0.1023 0.0590 0.0418 ( 5092 PWs) bands (ev): -66.1137 -66.1137 -35.9100 -35.9100 -34.7094 -34.7094 -34.7093 -34.7093 -9.9145 -9.9138 -9.9138 -9.9131 -8.8929 -8.8929 -8.8764 -8.8761 -8.8761 -8.8744 2.1678 2.1678 5.7996 5.8313 5.8313 5.8751 6.8333 6.8333 7.4067 7.4400 7.4400 7.5365 10.9602 10.9602 11.2518 11.2518 11.3442 11.3677 12.0563 12.0851 12.0851 12.1044 13.6182 13.6182 15.0535 15.0535 15.3782 15.4136 15.4445 15.4445 k = 0.1136 0.0656 0.0464 ( 5089 PWs) bands (ev): -66.1134 -66.1134 -35.9100 -35.9100 -34.7094 -34.7094 -34.7093 -34.7093 -9.9146 -9.9138 -9.9138 -9.9130 -8.8928 -8.8928 -8.8763 -8.8761 -8.8761 -8.8742 2.1938 2.1938 5.7972 5.8313 5.8313 5.8799 6.8331 6.8331 7.4044 7.4367 7.4367 7.5467 10.9052 10.9052 11.2361 11.2361 11.3373 11.3641 12.0504 12.0821 12.0821 12.1026 13.5402 13.5402 15.0408 15.0408 15.3615 15.3987 15.4257 15.4257 k = 0.1250 0.0722 0.0510 ( 5101 PWs) bands (ev): -66.1145 -66.1145 -35.9100 -35.9100 -34.7094 -34.7094 -34.7093 -34.7093 -9.9146 -9.9138 -9.9138 -9.9129 -8.8927 -8.8927 -8.8763 -8.8761 -8.8761 -8.8739 2.2225 2.2225 5.7952 5.8314 5.8314 5.8845 6.8329 6.8329 7.4028 7.4329 7.4329 7.5570 10.8352 10.8352 11.2179 11.2179 11.3270 11.3570 12.0431 12.0775 12.0775 12.0992 13.4601 13.4601 15.0248 15.0248 15.3438 15.3822 15.3997 15.3997 k = 0.1364 0.0787 0.0557 ( 5101 PWs) bands (ev): -66.1144 -66.1144 -35.9100 -35.9100 -34.7094 -34.7094 -34.7093 -34.7093 -9.9146 -9.9137 -9.9137 -9.9128 -8.8926 -8.8926 -8.8762 -8.8761 -8.8761 -8.8737 2.2536 2.2536 5.7935 5.8315 5.8315 5.8890 6.8328 6.8328 7.4019 7.4289 7.4289 7.5674 10.7618 10.7618 11.2033 11.2033 11.3178 11.3514 12.0374 12.0740 12.0740 12.0968 13.3823 13.3823 15.0071 15.0071 15.3255 15.3647 15.3711 15.3711 k = 0.1477 0.0853 0.0603 ( 5113 PWs) bands (ev): -66.1155 -66.1155 -35.9101 -35.9101 -34.7095 -34.7095 -34.7093 -34.7093 -9.9146 -9.9137 -9.9137 -9.9127 -8.8925 -8.8925 -8.8762 -8.8762 -8.8761 -8.8735 2.2872 2.2872 5.7920 5.8318 5.8318 5.8933 6.8330 6.8330 7.4017 7.4243 7.4243 7.5777 10.6774 10.6774 11.1874 11.1874 11.3067 11.3440 12.0277 12.0666 12.0666 12.0901 13.3052 13.3052 14.9872 14.9872 15.3069 15.3369 15.3369 15.3464 k = 0.1591 0.0919 0.0649 ( 5113 PWs) bands (ev): -66.1155 -66.1155 -35.9101 -35.9101 -34.7095 -34.7095 -34.7093 -34.7093 -9.9146 -9.9137 -9.9137 -9.9126 -8.8924 -8.8924 -8.8762 -8.8762 -8.8760 -8.8732 2.3232 2.3232 5.7908 5.8322 5.8322 5.8974 6.8334 6.8334 7.4024 7.4195 7.4195 7.5881 10.5874 10.5874 11.1737 11.1737 11.2964 11.3375 12.0229 12.0636 12.0636 12.0879 13.2309 13.2309 14.9663 14.9663 15.2884 15.3006 15.3006 15.3275 k = 0.1705 0.0984 0.0696 ( 5113 PWs) bands (ev): -66.1154 -66.1154 -35.9101 -35.9101 -34.7095 -34.7095 -34.7093 -34.7093 -9.9146 -9.9136 -9.9136 -9.9125 -8.8923 -8.8923 -8.8762 -8.8762 -8.8759 -8.8730 2.3616 2.3616 5.7900 5.8329 5.8329 5.9013 6.8340 6.8340 7.4038 7.4143 7.4143 7.5984 10.4906 10.4906 11.1603 11.1603 11.2856 11.3305 12.0183 12.0603 12.0603 12.0853 13.1592 13.1592 14.9442 14.9442 15.2619 15.2619 15.2697 15.3082 k = 0.1818 0.1050 0.0742 ( 5126 PWs) bands (ev): -66.1166 -66.1166 -35.9101 -35.9101 -34.7096 -34.7096 -34.7093 -34.7093 -9.9146 -9.9136 -9.9136 -9.9124 -8.8922 -8.8922 -8.8763 -8.8763 -8.8758 -8.8728 2.4021 2.4021 5.7894 5.8338 5.8338 5.9049 6.8349 6.8349 7.4059 7.4087 7.4087 7.6085 10.3832 10.3832 11.1454 11.1454 11.2727 11.3216 12.0114 12.0547 12.0547 12.0802 13.0867 13.0867 14.9207 14.9207 15.2193 15.2193 15.2509 15.2884 k = 0.1932 0.1115 0.0789 ( 5126 PWs) bands (ev): -66.1166 -66.1166 -35.9101 -35.9101 -34.7096 -34.7096 -34.7093 -34.7093 -9.9146 -9.9136 -9.9136 -9.9123 -8.8921 -8.8921 -8.8763 -8.8763 -8.8756 -8.8725 2.4447 2.4447 5.7892 5.8350 5.8350 5.9082 6.8360 6.8360 7.4026 7.4026 7.4089 7.6186 10.2745 10.2745 11.1315 11.1315 11.2599 11.3126 12.0084 12.0523 12.0523 12.0784 13.0205 13.0205 14.8968 14.8968 15.1780 15.1780 15.2323 15.2684 k = 0.2045 0.1181 0.0835 ( 5126 PWs) bands (ev): -66.1166 -66.1166 -35.9101 -35.9101 -34.7096 -34.7096 -34.7093 -34.7093 -9.9146 -9.9135 -9.9135 -9.9122 -8.8919 -8.8919 -8.8763 -8.8763 -8.8755 -8.8723 2.4894 2.4894 5.7892 5.8366 5.8366 5.9112 6.8375 6.8375 7.3962 7.3962 7.4126 7.6284 10.1609 10.1609 11.1174 11.1174 11.2463 11.3028 12.0061 12.0503 12.0503 12.0770 12.9574 12.9574 14.8722 14.8722 15.1364 15.1364 15.2140 15.2482 k = 0.2159 0.1247 0.0881 ( 5138 PWs) bands (ev): -66.1177 -66.1177 -35.9101 -35.9101 -34.7097 -34.7097 -34.7094 -34.7094 -9.9146 -9.9135 -9.9135 -9.9122 -8.8918 -8.8918 -8.8764 -8.8764 -8.8753 -8.8721 2.5360 2.5360 5.7895 5.8387 5.8387 5.9139 6.8393 6.8393 7.3892 7.3892 7.4171 7.6379 10.0418 10.0418 11.1007 11.1007 11.2297 11.2897 12.0006 12.0450 12.0450 12.0722 12.8960 12.8960 14.8465 14.8465 15.0941 15.0941 15.1954 15.2276 k = 0.2273 0.1312 0.0928 ( 5138 PWs) bands (ev): -66.1177 -66.1177 -35.9101 -35.9101 -34.7097 -34.7097 -34.7094 -34.7094 -9.9145 -9.9134 -9.9134 -9.9121 -8.8917 -8.8917 -8.8764 -8.8764 -8.8751 -8.8719 2.5843 2.5843 5.7902 5.8414 5.8414 5.9162 6.8413 6.8413 7.3818 7.3818 7.4224 7.6472 9.9203 9.9203 11.0864 11.0864 11.2148 11.2785 11.9997 12.0435 12.0435 12.0713 12.8392 12.8392 14.8213 14.8213 15.0531 15.0531 15.1777 15.2076 k = 0.2386 0.1378 0.0974 ( 5150 PWs) bands (ev): -66.1188 -66.1188 -35.9101 -35.9101 -34.7098 -34.7098 -34.7094 -34.7094 -9.9145 -9.9134 -9.9134 -9.9120 -8.8915 -8.8915 -8.8764 -8.8764 -8.8749 -8.8716 2.6342 2.6342 5.7911 5.8447 5.8447 5.9182 6.8436 6.8436 7.3737 7.3737 7.4283 7.6561 9.7956 9.7956 11.0700 11.0700 11.1975 11.2645 11.9941 12.0370 12.0370 12.0653 12.7853 12.7853 14.7951 14.7951 15.0126 15.0126 15.1596 15.1872 k = 0.2500 0.1443 0.1021 ( 5156 PWs) bands (ev): -66.1193 -66.1193 -35.9102 -35.9102 -34.7098 -34.7098 -34.7094 -34.7094 -9.9144 -9.9134 -9.9134 -9.9120 -8.8914 -8.8914 -8.8765 -8.8765 -8.8747 -8.8714 2.6856 2.6856 5.7923 5.8488 5.8488 5.9197 6.8462 6.8462 7.3652 7.3652 7.4350 7.6646 9.6687 9.6687 11.0543 11.0543 11.1807 11.2506 11.9919 12.0337 12.0337 12.0625 12.7343 12.7343 14.7694 14.7694 14.9732 14.9732 15.1424 15.1674 k = 0.2614 0.1509 0.1067 ( 5156 PWs) bands (ev): -66.1193 -66.1193 -35.9102 -35.9102 -34.7098 -34.7098 -34.7094 -34.7094 -9.9144 -9.9133 -9.9133 -9.9119 -8.8913 -8.8913 -8.8765 -8.8765 -8.8745 -8.8712 2.7382 2.7382 5.7938 5.8538 5.8538 5.9210 6.8491 6.8491 7.3559 7.3559 7.4424 7.6727 9.5416 9.5416 11.0392 11.0392 11.1640 11.2367 11.9919 12.0317 12.0317 12.0613 12.6894 12.6894 14.7438 14.7438 14.9359 14.9359 15.1253 15.1479 k = 0.2727 0.1575 0.1113 ( 5153 PWs) bands (ev): -66.1190 -66.1190 -35.9102 -35.9102 -34.7098 -34.7098 -34.7094 -34.7094 -9.9143 -9.9133 -9.9133 -9.9119 -8.8911 -8.8911 -8.8766 -8.8766 -8.8743 -8.8710 2.7919 2.7919 5.7955 5.8599 5.8599 5.9218 6.8522 6.8522 7.3459 7.3459 7.4506 7.6803 9.4130 9.4130 11.0247 11.0247 11.1478 11.2227 11.9941 12.0318 12.0318 12.0622 12.6469 12.6469 14.7190 14.7190 14.8997 14.8997 15.1094 15.1292 k = 0.2841 0.1640 0.1160 ( 5138 PWs) bands (ev): -66.1175 -66.1175 -35.9101 -35.9101 -34.7098 -34.7098 -34.7094 -34.7094 -9.9142 -9.9132 -9.9132 -9.9118 -8.8910 -8.8910 -8.8766 -8.8766 -8.8741 -8.8709 2.8465 2.8465 5.7976 5.8673 5.8673 5.9223 6.8556 6.8556 7.3351 7.3351 7.4595 7.6874 9.2841 9.2841 11.0130 11.0130 11.1346 11.2115 12.0013 12.0362 12.0362 12.0676 12.6070 12.6070 14.6963 14.6963 14.8651 14.8651 15.0955 15.1128 k = 0.2955 0.1706 0.1206 ( 5150 PWs) bands (ev): -66.1186 -66.1186 -35.9102 -35.9102 -34.7098 -34.7098 -34.7094 -34.7094 -9.9142 -9.9132 -9.9132 -9.9118 -8.8909 -8.8909 -8.8766 -8.8766 -8.8739 -8.8707 2.9016 2.9016 5.7999 5.8760 5.8760 5.9223 6.8589 6.8589 7.3233 7.3233 7.4688 7.6937 9.1550 9.1550 10.9959 10.9959 11.1150 11.1933 12.0015 12.0334 12.0334 12.0657 12.5660 12.5660 14.6702 14.6702 14.8312 14.8312 15.0786 15.0934 k = 0.3068 0.1771 0.1253 ( 5135 PWs) bands (ev): -66.1172 -66.1172 -35.9101 -35.9101 -34.7098 -34.7098 -34.7094 -34.7094 -9.9141 -9.9131 -9.9131 -9.9118 -8.8907 -8.8907 -8.8767 -8.8767 -8.8736 -8.8705 2.9570 2.9570 5.8025 5.8863 5.8863 5.9220 6.8623 6.8623 7.3105 7.3105 7.4788 7.6995 9.0286 9.0286 10.9825 10.9825 11.1003 11.1790 12.0101 12.0394 12.0394 12.0725 12.5341 12.5341 14.6476 14.6476 14.8002 14.8002 15.0651 15.0773 k = 0.3182 0.1837 0.1299 ( 5141 PWs) bands (ev): -66.1178 -66.1178 -35.9102 -35.9102 -34.7098 -34.7098 -34.7094 -34.7094 -9.9140 -9.9131 -9.9131 -9.9118 -8.8906 -8.8906 -8.8767 -8.8767 -8.8734 -8.8704 3.0124 3.0124 5.8053 5.8984 5.8984 5.9213 6.8655 6.8655 7.2964 7.2964 7.4893 7.7046 8.9018 8.9018 10.9684 10.9684 11.0846 11.1633 12.0139 12.0399 12.0399 12.0739 12.4934 12.4934 14.6246 14.6246 14.7694 14.7694 15.0514 15.0612 k = 0.3295 0.1903 0.1345 ( 5141 PWs) bands (ev): -66.1178 -66.1178 -35.9102 -35.9102 -34.7099 -34.7099 -34.7094 -34.7094 -9.9139 -9.9131 -9.9131 -9.9118 -8.8905 -8.8905 -8.8767 -8.8767 -8.8732 -8.8703 3.0674 3.0674 5.8083 5.9124 5.9124 5.9202 6.8684 6.8684 7.2809 7.2809 7.5002 7.7090 8.7790 8.7790 10.9547 10.9547 11.0694 11.1476 12.0183 12.0410 12.0410 12.0757 12.4608 12.4608 14.6026 14.6026 14.7411 14.7411 15.0383 15.0460 k = 0.3409 0.1968 0.1392 ( 5153 PWs) bands (ev): -66.1189 -66.1189 -35.9102 -35.9102 -34.7099 -34.7099 -34.7095 -34.7095 -9.9138 -9.9130 -9.9130 -9.9118 -8.8904 -8.8904 -8.8768 -8.8768 -8.8729 -8.8701 3.1218 3.1218 5.8115 5.9188 5.9286 5.9286 6.8708 6.8708 7.2637 7.2637 7.5114 7.7125 8.6598 8.6598 10.9384 10.9384 11.0512 11.1281 12.0211 12.0403 12.0403 12.0757 12.4287 12.4287 14.5792 14.5792 14.7139 14.7139 15.0232 15.0290 k = 0.3523 0.2034 0.1438 ( 5153 PWs) bands (ev): -66.1189 -66.1189 -35.9102 -35.9102 -34.7099 -34.7099 -34.7095 -34.7095 -9.9137 -9.9130 -9.9130 -9.9118 -8.8903 -8.8903 -8.8768 -8.8768 -8.8727 -8.8700 3.1752 3.1752 5.8149 5.9170 5.9473 5.9473 6.8724 6.8724 7.2448 7.2448 7.5230 7.7153 8.5453 8.5453 10.9257 10.9257 11.0376 11.1125 12.0260 12.0415 12.0415 12.0777 12.4006 12.4006 14.5591 14.5591 14.6892 14.6892 15.0114 15.0154 k = 0.3636 0.2099 0.1485 ( 5147 PWs) bands (ev): -66.1183 -66.1183 -35.9102 -35.9102 -34.7099 -34.7099 -34.7094 -34.7094 -9.9136 -9.9130 -9.9130 -9.9118 -8.8902 -8.8902 -8.8768 -8.8768 -8.8725 -8.8700 3.2271 3.2271 5.8185 5.9149 5.9687 5.9687 6.8730 6.8730 7.2240 7.2240 7.5350 7.7172 8.4361 8.4361 10.9148 10.9148 11.0261 11.0985 12.0342 12.0460 12.0460 12.0828 12.3732 12.3732 14.5409 14.5409 14.6665 14.6665 15.0013 15.0037 k = 0.3750 0.2165 0.1531 ( 5153 PWs) bands (ev): -66.1189 -66.1189 -35.9102 -35.9102 -34.7099 -34.7099 -34.7095 -34.7094 -9.9135 -9.9129 -9.9129 -9.9118 -8.8901 -8.8901 -8.8769 -8.8769 -8.8722 -8.8699 3.2771 3.2771 5.8223 5.9124 5.9928 5.9928 6.8719 6.8719 7.2011 7.2011 7.5471 7.7183 8.3333 8.3333 10.9031 10.9031 11.0137 11.0829 12.0374 12.0451 12.0451 12.0826 12.3472 12.3472 14.5228 14.5228 14.6453 14.6453 14.9905 14.9915 k = 0.3864 0.2231 0.1577 ( 5156 PWs) bands (ev): -66.1192 -66.1192 -35.9102 -35.9102 -34.7100 -34.7100 -34.7095 -34.7095 -9.9134 -9.9129 -9.9129 -9.9118 -8.8900 -8.8900 -8.8769 -8.8769 -8.8720 -8.8698 3.3248 3.3248 5.8262 5.9097 6.0201 6.0201 6.8683 6.8683 7.1763 7.1763 7.5592 7.7184 8.2382 8.2382 10.8922 10.8922 11.0029 11.0681 12.0406 12.0445 12.0445 12.0824 12.3256 12.3256 14.5062 14.5062 14.6260 14.6260 14.9807 14.9808 k = 0.3977 0.2296 0.1624 ( 5177 PWs) bands (ev): -66.1212 -66.1212 -35.9102 -35.9102 -34.7100 -34.7100 -34.7095 -34.7095 -9.9133 -9.9129 -9.9129 -9.9119 -8.8899 -8.8899 -8.8769 -8.8769 -8.8718 -8.8698 3.3698 3.3698 5.8302 5.9066 6.0505 6.0505 6.8613 6.8613 7.1502 7.1502 7.5713 7.7176 8.1513 8.1513 10.8791 10.8791 10.9892 11.0499 12.0382 12.0382 12.0387 12.0766 12.3039 12.3039 14.4884 14.4884 14.6076 14.6076 14.9677 14.9685 k = 0.4091 0.2362 0.1670 ( 5162 PWs) bands (ev): -66.1198 -66.1198 -35.9102 -35.9102 -34.7100 -34.7100 -34.7095 -34.7095 -9.9132 -9.9129 -9.9129 -9.9119 -8.8898 -8.8898 -8.8769 -8.8769 -8.8716 -8.8698 3.4116 3.4116 5.8345 5.9034 6.0844 6.0844 6.8496 6.8496 7.1240 7.1240 7.5836 7.7160 8.0743 8.0743 10.8708 10.8708 10.9815 11.0372 12.0444 12.0444 12.0490 12.0830 12.2945 12.2945 14.4751 14.4751 14.5923 14.5923 14.9593 14.9607 k = 0.4205 0.2427 0.1716 ( 5159 PWs) bands (ev): -66.1195 -66.1195 -35.9102 -35.9102 -34.7100 -34.7100 -34.7095 -34.7095 -9.9131 -9.9128 -9.9128 -9.9120 -8.8897 -8.8897 -8.8769 -8.8769 -8.8714 -8.8698 3.4497 3.4497 5.8388 5.8999 6.1217 6.1217 6.8312 6.8312 7.0992 7.0992 7.5957 7.7134 8.0065 8.0065 10.8639 10.8639 10.9760 11.0260 12.0468 12.0468 12.0553 12.0854 12.2764 12.2764 14.4637 14.4637 14.5789 14.5789 14.9527 14.9545 k = 0.4318 0.2493 0.1763 ( 5159 PWs) bands (ev): -66.1196 -66.1196 -35.9102 -35.9102 -34.7100 -34.7100 -34.7095 -34.7095 -9.9130 -9.9128 -9.9128 -9.9120 -8.8897 -8.8897 -8.8770 -8.8770 -8.8712 -8.8698 3.4837 3.4837 5.8433 5.8961 6.1623 6.1623 6.8048 6.8048 7.0775 7.0775 7.6077 7.7099 7.9489 7.9489 10.8568 10.8568 10.9704 11.0143 12.0475 12.0475 12.0599 12.0859 12.2633 12.2633 14.4529 14.4529 14.5670 14.5670 14.9460 14.9480 k = 0.4432 0.2559 0.1809 ( 5156 PWs) bands (ev): -66.1193 -66.1193 -35.9102 -35.9102 -34.7100 -34.7100 -34.7095 -34.7095 -9.9129 -9.9128 -9.9128 -9.9121 -8.8896 -8.8896 -8.8770 -8.8770 -8.8710 -8.8698 3.5132 3.5132 5.8478 5.8922 6.2062 6.2062 6.7700 6.7700 7.0603 7.0603 7.6193 7.7055 7.9015 7.9015 10.8508 10.8508 10.9663 11.0036 12.0483 12.0483 12.0643 12.0862 12.2559 12.2559 14.4437 14.4437 14.5570 14.5570 14.9404 14.9424 k = 0.4545 0.2624 0.1856 ( 5156 PWs) bands (ev): -66.1193 -66.1193 -35.9102 -35.9102 -34.7100 -34.7100 -34.7095 -34.7095 -9.9128 -9.9128 -9.9128 -9.9121 -8.8896 -8.8896 -8.8770 -8.8770 -8.8708 -8.8699 3.5379 3.5379 5.8523 5.8882 6.2528 6.2528 6.7275 6.7275 7.0476 7.0476 7.6306 7.7002 7.8635 7.8635 10.8470 10.8470 10.9652 10.9954 12.0492 12.0492 12.0686 12.0863 12.2419 12.2419 14.4371 14.4371 14.5492 14.5492 14.9372 14.9391 k = 0.4659 0.2690 0.1902 ( 5156 PWs) bands (ev): -66.1194 -66.1194 -35.9102 -35.9102 -34.7100 -34.7100 -34.7095 -34.7095 -9.9128 -9.9128 -9.9127 -9.9122 -8.8896 -8.8896 -8.8770 -8.8770 -8.8706 -8.8699 3.5575 3.5575 5.8569 5.8840 6.3012 6.3012 6.6799 6.6799 7.0390 7.0390 7.6415 7.6941 7.8348 7.8348 10.8422 10.8422 10.9630 10.9860 12.0518 12.0518 12.0747 12.0881 12.2334 12.2334 14.4304 14.4304 14.5425 14.5425 14.9329 14.9345 k = 0.4773 0.2756 0.1948 ( 5162 PWs) bands (ev): -66.1199 -66.1199 -35.9102 -35.9102 -34.7100 -34.7100 -34.7095 -34.7095 -9.9128 -9.9128 -9.9126 -9.9123 -8.8895 -8.8895 -8.8770 -8.8770 -8.8705 -8.8700 3.5717 3.5717 5.8615 5.8796 6.3493 6.3493 6.6309 6.6309 7.0336 7.0336 7.6518 7.6870 7.8147 7.8147 10.8384 10.8384 10.9623 10.9777 12.0501 12.0501 12.0758 12.0847 12.2273 12.2273 14.4255 14.4255 14.5376 14.5376 14.9298 14.9309 k = 0.4886 0.2821 0.1995 ( 5168 PWs) bands (ev): -66.1205 -66.1205 -35.9102 -35.9102 -34.7100 -34.7100 -34.7095 -34.7095 -9.9128 -9.9128 -9.9125 -9.9124 -8.8895 -8.8895 -8.8770 -8.8770 -8.8703 -8.8701 3.5802 3.5802 5.8661 5.8751 6.3913 6.3913 6.5876 6.5876 7.0306 7.0306 7.6616 7.6793 7.8028 7.8028 10.8366 10.8366 10.9638 10.9715 12.0479 12.0479 12.0765 12.0810 12.2214 12.2214 14.4228 14.4228 14.5347 14.5347 14.9282 14.9288 k = 0.5000 0.2887 0.2041 ( 5168 PWs) bands (ev): -66.1205 -66.1205 -35.9102 -35.9102 -34.7100 -34.7100 -34.7095 -34.7095 -9.9128 -9.9128 -9.9124 -9.9124 -8.8895 -8.8895 -8.8770 -8.8770 -8.8702 -8.8702 3.5831 3.5831 5.8706 5.8706 6.4109 6.4109 6.5676 6.5676 7.0296 7.0296 7.6707 7.6707 7.7989 7.7989 10.8360 10.8360 10.9669 10.9669 12.0479 12.0479 12.0789 12.0789 12.2204 12.2204 14.4219 14.4219 14.5338 14.5338 14.9280 14.9280 k = 0.5000 0.2887 0.2041 ( 5168 PWs) bands (ev): -66.1205 -66.1205 -35.9102 -35.9102 -34.7100 -34.7100 -34.7095 -34.7095 -9.9128 -9.9128 -9.9124 -9.9124 -8.8895 -8.8895 -8.8770 -8.8770 -8.8702 -8.8702 3.5831 3.5831 5.8706 5.8706 6.4109 6.4109 6.5676 6.5676 7.0296 7.0296 7.6707 7.6707 7.7989 7.7989 10.8360 10.8360 10.9669 10.9669 12.0479 12.0479 12.0789 12.0789 12.2204 12.2204 14.4219 14.4219 14.5338 14.5338 14.9280 14.9280 k = 0.5040 0.2770 0.2107 ( 5164 PWs) bands (ev): -66.1201 -66.1201 -35.9102 -35.9102 -34.7100 -34.7100 -34.7095 -34.7095 -9.9128 -9.9128 -9.9124 -9.9124 -8.8895 -8.8895 -8.8770 -8.8770 -8.8702 -8.8702 3.5835 3.5845 5.8707 5.8707 6.4070 6.4106 6.5605 6.5804 7.0296 7.0303 7.6713 7.6713 7.7928 7.8054 10.8349 10.8351 10.9663 10.9664 12.0470 12.0497 12.0795 12.0796 12.2205 12.2222 14.3426 14.4492 14.4932 14.5902 14.9380 14.9386 k = 0.5081 0.2654 0.2173 ( 5156 PWs) bands (ev): -66.1194 -66.1194 -35.9102 -35.9102 -34.7100 -34.7100 -34.7095 -34.7095 -9.9129 -9.9128 -9.9124 -9.9123 -8.8896 -8.8894 -8.8771 -8.8769 -8.8702 -8.8702 3.5856 3.5876 5.8708 5.8709 6.4003 6.4054 6.5597 6.5974 7.0303 7.0314 7.6729 7.6730 7.7870 7.8124 10.8309 10.8310 10.9637 10.9640 12.0455 12.0511 12.0801 12.0801 12.2219 12.2254 14.2506 14.3653 14.5276 14.6214 14.9669 14.9699 k = 0.5121 0.2538 0.2239 ( 5161 PWs) bands (ev): -66.1198 -66.1198 -35.9102 -35.9102 -34.7100 -34.7100 -34.7095 -34.7095 -9.9130 -9.9129 -9.9123 -9.9122 -8.8896 -8.8894 -8.8771 -8.8769 -8.8703 -8.8703 3.5895 3.5924 5.8709 5.8713 6.3922 6.3956 6.5648 6.6172 7.0316 7.0328 7.6753 7.6756 7.7811 7.8197 10.8191 10.8195 10.9545 10.9554 12.0410 12.0499 12.0777 12.0785 12.2215 12.2269 14.1490 14.2680 14.5354 14.6212 15.0101 15.0168 k = 0.5161 0.2421 0.2305 ( 5161 PWs) bands (ev): -66.1198 -66.1198 -35.9102 -35.9102 -34.7100 -34.7100 -34.7095 -34.7095 -9.9131 -9.9130 -9.9122 -9.9121 -8.8896 -8.8894 -8.8771 -8.8769 -8.8703 -8.8703 3.5951 3.5990 5.8709 5.8719 6.3826 6.3836 6.5743 6.6388 7.0337 7.0347 7.6786 7.6793 7.7754 7.8277 10.8033 10.8051 10.9442 10.9463 12.0366 12.0492 12.0770 12.0789 12.2206 12.2280 14.0441 14.1669 14.5187 14.5978 15.0659 15.0754 k = 0.5202 0.2305 0.2370 ( 5159 PWs) bands (ev): -66.1197 -66.1196 -35.9102 -35.9102 -34.7100 -34.7100 -34.7095 -34.7095 -9.9132 -9.9131 -9.9121 -9.9120 -8.8896 -8.8893 -8.8771 -8.8768 -8.8703 -8.8703 3.6023 3.6073 5.8710 5.8729 6.3676 6.3753 6.5868 6.6615 7.0369 7.0370 7.6826 7.6840 7.7699 7.8366 10.7822 10.7860 10.9332 10.9371 12.0324 12.0484 12.0763 12.0784 12.2196 12.2287 13.9376 14.0635 14.4837 14.5583 15.1266 15.1372 k = 0.5242 0.2188 0.2436 ( 5159 PWs) bands (ev): -66.1196 -66.1196 -35.9102 -35.9102 -34.7100 -34.7100 -34.7095 -34.7095 -9.9133 -9.9132 -9.9121 -9.9119 -8.8896 -8.8893 -8.8771 -8.8768 -8.8704 -8.8703 3.6112 3.6172 5.8709 5.8742 6.3518 6.3676 6.6010 6.6846 7.0396 7.0410 7.6873 7.6896 7.7646 7.8464 10.7535 10.7603 10.9205 10.9268 12.0272 12.0471 12.0763 12.0793 12.2179 12.2287 13.8292 13.9574 14.4344 14.5061 15.1858 15.1966 k = 0.5282 0.2072 0.2502 ( 5163 PWs) bands (ev): -66.1200 -66.1200 -35.9103 -35.9102 -34.7100 -34.7100 -34.7095 -34.7095 -9.9134 -9.9133 -9.9120 -9.9118 -8.8896 -8.8892 -8.8771 -8.8767 -8.8704 -8.8703 3.6216 3.6287 5.8708 5.8758 6.3358 6.3609 6.6163 6.7078 7.0426 7.0463 7.6925 7.6957 7.7599 7.8575 10.7176 10.7281 10.9067 10.9157 12.0191 12.0428 12.0756 12.0796 12.2156 12.2283 13.7211 13.8508 14.3741 14.4439 15.2401 15.2508 k = 0.5323 0.1956 0.2568 ( 5153 PWs) bands (ev): -66.1191 -66.1190 -35.9102 -35.9102 -34.7100 -34.7100 -34.7095 -34.7095 -9.9135 -9.9134 -9.9119 -9.9117 -8.8896 -8.8892 -8.8771 -8.8766 -8.8705 -8.8704 3.6334 3.6417 5.8706 5.8780 6.3200 6.3553 6.6318 6.7308 7.0461 7.0529 7.6980 7.7019 7.7566 7.8703 10.6770 10.6917 10.8958 10.9077 12.0155 12.0427 12.0777 12.0815 12.2159 12.2300 13.6175 13.7477 14.3091 14.3777 15.2875 15.2983 k = 0.5363 0.1839 0.2634 ( 5156 PWs) bands (ev): -66.1193 -66.1193 -35.9103 -35.9102 -34.7100 -34.7100 -34.7095 -34.7095 -9.9136 -9.9135 -9.9119 -9.9116 -8.8896 -8.8891 -8.8771 -8.8765 -8.8706 -8.8704 3.6467 3.6562 5.8703 5.8807 6.3046 6.3511 6.6472 6.7531 7.0500 7.0607 7.7036 7.7063 7.7559 7.8844 10.6270 10.6463 10.8821 10.8970 12.0082 12.0390 12.0785 12.0828 12.2130 12.2291 13.5125 13.6422 14.2360 14.3036 15.3259 15.3376 k = 0.5403 0.1723 0.2700 ( 5160 PWs) bands (ev): -66.1197 -66.1197 -35.9103 -35.9102 -34.7100 -34.7100 -34.7095 -34.7095 -9.9137 -9.9136 -9.9118 -9.9115 -8.8896 -8.8891 -8.8771 -8.8764 -8.8706 -8.8704 3.6613 3.6720 5.8698 5.8841 6.2899 6.3483 6.6620 6.7747 7.0546 7.0698 7.7074 7.7092 7.7597 7.9004 10.5706 10.5949 10.8687 10.8865 12.0008 12.0347 12.0785 12.0827 12.2098 12.2275 13.4104 13.5385 14.1593 14.2259 15.3553 15.3686 k = 0.5444 0.1606 0.2766 ( 5157 PWs) bands (ev): -66.1194 -66.1194 -35.9103 -35.9102 -34.7100 -34.7100 -34.7095 -34.7095 -9.9138 -9.9136 -9.9118 -9.9114 -8.8896 -8.8890 -8.8771 -8.8763 -8.8707 -8.8705 3.6771 3.6891 5.8694 5.8880 6.2759 6.3470 6.6759 6.7953 7.0599 7.0802 7.7047 7.7148 7.7687 7.9184 10.5094 10.5390 10.8555 10.8762 11.9958 12.0329 12.0809 12.0849 12.2083 12.2279 13.3139 13.4392 14.0795 14.1453 15.3762 15.3917 k = 0.5484 0.1490 0.2831 ( 5162 PWs) bands (ev): -66.1199 -66.1199 -35.9103 -35.9102 -34.7100 -34.7100 -34.7095 -34.7095 -9.9138 -9.9137 -9.9117 -9.9113 -8.8896 -8.8890 -8.8771 -8.8762 -8.8708 -8.8705 3.6940 3.7073 5.8688 5.8927 6.2628 6.3473 6.6886 6.8148 7.0660 7.0917 7.6988 7.7200 7.7819 7.9382 10.4399 10.4751 10.8427 10.8662 11.9887 12.0286 12.0830 12.0872 12.2050 12.2271 13.2153 13.3369 13.9986 14.0634 15.3893 15.4074 k = 0.5524 0.1374 0.2897 ( 5158 PWs) bands (ev): -66.1195 -66.1195 -35.9103 -35.9102 -34.7100 -34.7100 -34.7095 -34.7095 -9.9139 -9.9138 -9.9117 -9.9112 -8.8896 -8.8890 -8.8771 -8.8761 -8.8709 -8.8705 3.7119 3.7266 5.8683 5.8982 6.2504 6.3492 6.6996 6.8333 7.0733 7.1042 7.6911 7.7249 7.7983 7.9601 10.3680 10.4091 10.8300 10.8562 11.9850 12.0282 12.0871 12.0906 12.2035 12.2268 13.1258 13.2427 13.9162 13.9801 15.3957 15.4167 k = 0.5565 0.1257 0.2963 ( 5159 PWs) bands (ev): -66.1196 -66.1196 -35.9103 -35.9102 -34.7100 -34.7100 -34.7096 -34.7095 -9.9140 -9.9139 -9.9117 -9.9111 -8.8896 -8.8889 -8.8772 -8.8760 -8.8710 -8.8705 3.7306 3.7467 5.8677 5.9046 6.2390 6.3527 6.7089 6.8506 7.0815 7.1175 7.6819 7.7295 7.8172 7.9838 10.2920 10.3390 10.8166 10.8456 11.9779 12.0241 12.0899 12.0929 12.2003 12.2261 13.0415 13.1524 13.8327 13.8955 15.3962 15.4204 k = 0.5605 0.1141 0.3029 ( 5163 PWs) bands (ev): -66.1200 -66.1200 -35.9103 -35.9102 -34.7100 -34.7100 -34.7096 -34.7096 -9.9140 -9.9140 -9.9116 -9.9110 -8.8896 -8.8889 -8.8772 -8.8759 -8.8712 -8.8705 3.7500 3.7676 5.8672 5.9119 6.2283 6.3578 6.7162 6.8669 7.0910 7.1313 7.6714 7.7336 7.8382 8.0090 10.2118 10.2651 10.8031 10.8347 11.9716 12.0206 12.0923 12.0948 12.1959 12.2241 12.9596 13.0640 13.7492 13.8108 15.3921 15.4194 k = 0.5645 0.1024 0.3095 ( 5161 PWs) bands (ev): -66.1198 -66.1198 -35.9103 -35.9102 -34.7100 -34.7100 -34.7096 -34.7096 -9.9141 -9.9141 -9.9116 -9.9109 -8.8896 -8.8889 -8.8772 -8.8757 -8.8713 -8.8705 3.7700 3.7890 5.8667 5.9201 6.2185 6.3647 6.7214 6.8824 7.1018 7.1455 7.6599 7.7374 7.8611 8.0357 10.1300 10.1896 10.7895 10.8237 11.9678 12.0198 12.0954 12.0966 12.1952 12.2251 12.8850 12.9820 13.6658 13.7263 15.3845 15.4150 k = 0.5685 0.0908 0.3161 ( 5157 PWs) bands (ev): -66.1194 -66.1194 -35.9103 -35.9102 -34.7100 -34.7099 -34.7096 -34.7096 -9.9142 -9.9141 -9.9116 -9.9108 -8.8895 -8.8889 -8.8772 -8.8756 -8.8714 -8.8705 3.7903 3.8109 5.8662 5.9294 6.2094 6.3732 6.7245 6.8970 7.1138 7.1599 7.6474 7.7408 7.8855 8.0634 10.0471 10.1130 10.7761 10.8129 11.9645 12.0196 12.0997 12.0997 12.1928 12.2250 12.8183 12.9069 13.5832 13.6425 15.3741 15.4075 k = 0.5726 0.0792 0.3226 ( 5155 PWs) bands (ev): -66.1192 -66.1192 -35.9103 -35.9101 -34.7100 -34.7099 -34.7096 -34.7096 -9.9142 -9.9142 -9.9116 -9.9108 -8.8895 -8.8888 -8.8772 -8.8755 -8.8716 -8.8705 3.8108 3.8330 5.8658 5.9398 6.2011 6.3834 6.7255 6.9109 7.1271 7.1742 7.6338 7.7438 7.9111 8.0916 9.9631 10.0353 10.7624 10.8017 11.9625 12.0205 12.1045 12.1056 12.1896 12.2246 12.7533 12.8331 13.5012 13.5592 15.3615 15.3979 k = 0.5766 0.0675 0.3292 ( 5155 PWs) bands (ev): -66.1192 -66.1192 -35.9103 -35.9101 -34.7100 -34.7099 -34.7096 -34.7096 -9.9143 -9.9142 -9.9116 -9.9107 -8.8895 -8.8888 -8.8772 -8.8753 -8.8717 -8.8705 3.8314 3.8551 5.8654 5.9513 6.1935 6.3952 6.7244 6.9241 7.1415 7.1883 7.6191 7.7466 7.9373 8.1197 9.8800 9.9584 10.7480 10.7897 11.9604 12.0215 12.1069 12.1098 12.1875 12.2245 12.6938 12.7642 13.4195 13.4763 15.3473 15.3865 k = 0.5806 0.0559 0.3358 ( 5152 PWs) bands (ev): -66.1189 -66.1189 -35.9103 -35.9101 -34.7100 -34.7099 -34.7096 -34.7096 -9.9143 -9.9143 -9.9116 -9.9106 -8.8895 -8.8888 -8.8773 -8.8751 -8.8718 -8.8705 3.8518 3.8771 5.8650 5.9638 6.1865 6.4087 6.7215 6.9365 7.1570 7.2023 7.6034 7.7490 7.9638 8.1472 9.7994 9.8838 10.7342 10.7781 11.9552 12.0196 12.1110 12.1153 12.1868 12.2267 12.6433 12.7037 13.3396 13.3952 15.3317 15.3736 k = 0.5847 0.0442 0.3424 ( 5154 PWs) bands (ev): -66.1191 -66.1191 -35.9103 -35.9101 -34.7100 -34.7099 -34.7096 -34.7096 -9.9144 -9.9143 -9.9116 -9.9106 -8.8895 -8.8888 -8.8773 -8.8750 -8.8720 -8.8704 3.8719 3.8987 5.8646 5.9774 6.1800 6.4237 6.7166 6.9482 7.1734 7.2160 7.5864 7.7512 7.9897 8.1729 9.7215 9.8118 10.7215 10.7676 11.9511 12.0186 12.1151 12.1212 12.1827 12.2257 12.5917 12.6415 13.2626 13.3170 15.3148 15.3592 k = 0.5887 0.0326 0.3490 ( 5155 PWs) bands (ev): -66.1192 -66.1192 -35.9103 -35.9101 -34.7100 -34.7099 -34.7097 -34.7096 -9.9144 -9.9143 -9.9116 -9.9105 -8.8895 -8.8888 -8.8773 -8.8748 -8.8721 -8.8704 3.8915 3.9197 5.8640 5.9920 6.1740 6.4401 6.7102 6.9591 7.1907 7.2297 7.5685 7.7532 8.0145 8.1963 9.6489 9.7451 10.7080 10.7561 11.9487 12.0197 12.1163 12.1246 12.1793 12.2250 12.5493 12.5881 13.1859 13.2392 15.2973 15.3444 k = 0.5927 0.0210 0.3556 ( 5159 PWs) bands (ev): -66.1196 -66.1196 -35.9103 -35.9102 -34.7100 -34.7099 -34.7097 -34.7096 -9.9145 -9.9143 -9.9117 -9.9105 -8.8895 -8.8889 -8.8773 -8.8747 -8.8723 -8.8704 3.9103 3.9399 5.8634 6.0074 6.1684 6.4577 6.7025 6.9690 7.2087 7.2432 7.5496 7.7549 8.0372 8.2162 9.5826 9.6847 10.6957 10.7455 11.9420 12.0156 12.1174 12.1273 12.1746 12.2247 12.5120 12.5399 13.1123 13.1645 15.2791 15.3286 k = 0.5968 0.0093 0.3622 ( 5159 PWs) bands (ev): -66.1196 -66.1196 -35.9103 -35.9102 -34.7100 -34.7099 -34.7097 -34.7096 -9.9145 -9.9143 -9.9117 -9.9104 -8.8895 -8.8889 -8.8774 -8.8745 -8.8724 -8.8703 3.9282 3.9591 5.8626 6.0234 6.1630 6.4765 6.6937 6.9776 7.2273 7.2570 7.5299 7.7565 8.0571 8.2316 9.5243 9.6323 10.6842 10.7356 11.9381 12.0147 12.1191 12.1309 12.1713 12.2258 12.4794 12.4956 13.0416 13.0929 15.2604 15.3125 k = 0.6008-0.0023 0.3687 ( 5159 PWs) bands (ev): -66.1196 -66.1196 -35.9103 -35.9102 -34.7100 -34.7099 -34.7097 -34.7096 -9.9146 -9.9143 -9.9117 -9.9104 -8.8895 -8.8889 -8.8774 -8.8743 -8.8725 -8.8703 3.9450 3.9770 5.8616 6.0399 6.1578 6.4959 6.6841 6.9847 7.2465 7.2711 7.5096 7.7580 8.0733 8.2415 9.4754 9.5895 10.6741 10.7268 11.9316 12.0110 12.1225 12.1360 12.1684 12.2283 12.4503 12.4547 12.9746 13.0252 15.2410 15.2957 k = 0.6048-0.0140 0.3753 ( 5161 PWs) bands (ev): -66.1198 -66.1198 -35.9103 -35.9102 -34.7100 -34.7099 -34.7097 -34.7096 -9.9146 -9.9143 -9.9118 -9.9103 -8.8895 -8.8889 -8.8774 -8.8742 -8.8726 -8.8703 3.9604 3.9935 5.8604 6.0565 6.1527 6.5155 6.6742 6.9901 7.2660 7.2858 7.4893 7.7594 8.0851 8.2450 9.4372 9.5575 10.6643 10.7182 11.9240 12.0065 12.1251 12.1405 12.1646 12.2295 12.4193 12.4269 12.9099 12.9600 15.2210 15.2782 k = 0.6089-0.0256 0.3819 ( 5161 PWs) bands (ev): -66.1198 -66.1198 -35.9103 -35.9102 -34.7100 -34.7099 -34.7097 -34.7096 -9.9146 -9.9143 -9.9118 -9.9103 -8.8895 -8.8890 -8.8774 -8.8741 -8.8727 -8.8702 3.9744 4.0083 5.8588 6.0726 6.1474 6.5346 6.6644 6.9933 7.2858 7.3014 7.4694 7.7609 8.0923 8.2422 9.4106 9.5372 10.6543 10.7091 11.9161 12.0020 12.1267 12.1437 12.1633 12.2328 12.3931 12.4113 12.8464 12.8963 15.2009 15.2607 k = 0.6129-0.0372 0.3885 ( 5159 PWs) bands (ev): -66.1196 -66.1196 -35.9103 -35.9102 -34.7100 -34.7098 -34.7097 -34.7096 -9.9146 -9.9143 -9.9119 -9.9103 -8.8895 -8.8890 -8.8774 -8.8740 -8.8728 -8.8702 3.9867 4.0212 5.8569 6.0877 6.1420 6.5524 6.6552 6.9941 7.3058 7.3180 7.4510 7.7624 8.0948 8.2329 9.3960 9.5290 10.6466 10.7019 11.9096 11.9979 12.1290 12.1481 12.1605 12.2336 12.3713 12.3985 12.7888 12.8387 15.1804 15.2429 k = 0.6169-0.0489 0.3951 ( 5162 PWs) bands (ev): -66.1199 -66.1199 -35.9103 -35.9102 -34.7100 -34.7098 -34.7098 -34.7096 -9.9147 -9.9143 -9.9119 -9.9103 -8.8895 -8.8890 -8.8774 -8.8739 -8.8728 -8.8702 3.9970 4.0321 5.8545 6.1007 6.1366 6.5678 6.6474 6.9925 7.3259 7.3357 7.4349 7.7642 8.0929 8.2180 9.3932 9.5326 10.6389 10.6943 11.9013 11.9912 12.1287 12.1490 12.1580 12.2346 12.3549 12.3889 12.7332 12.7835 15.1595 15.2248 k = 0.6210-0.0605 0.4017 ( 5158 PWs) bands (ev): -66.1195 -66.1195 -35.9103 -35.9102 -34.7100 -34.7098 -34.7097 -34.7096 -9.9147 -9.9142 -9.9120 -9.9102 -8.8895 -8.8891 -8.8774 -8.8739 -8.8727 -8.8702 4.0053 4.0406 5.8517 6.1095 6.1326 6.5794 6.6415 6.9887 7.3457 7.3540 7.4230 7.7663 8.0876 8.1987 9.4020 9.5472 10.6337 10.6890 11.8941 11.9855 12.1303 12.1529 12.1572 12.2338 12.3458 12.3837 12.6847 12.7358 15.1380 15.2063 k = 0.6250-0.0722 0.4082 ( 5174 PWs) bands (ev): -66.1210 -66.1210 -35.9103 -35.9102 -34.7101 -34.7099 -34.7098 -34.7097 -9.9147 -9.9142 -9.9120 -9.9102 -8.8895 -8.8891 -8.8774 -8.8740 -8.8727 -8.8702 4.0113 4.0466 5.8483 6.1089 6.1340 6.5859 6.6383 6.9831 7.3649 7.3699 7.4188 7.7688 8.0798 8.1764 9.4210 9.5715 10.6274 10.6821 11.8823 11.9736 12.1241 12.1489 12.1522 12.2280 12.3377 12.3763 12.6364 12.6887 15.1155 15.1868 k = 0.6250-0.0722 0.4082 ( 5174 PWs) bands (ev): -66.1210 -66.1210 -35.9103 -35.9102 -34.7101 -34.7099 -34.7098 -34.7097 -9.9147 -9.9142 -9.9120 -9.9102 -8.8895 -8.8891 -8.8774 -8.8740 -8.8727 -8.8702 4.0113 4.0466 5.8483 6.1089 6.1340 6.5859 6.6383 6.9831 7.3649 7.3699 7.4188 7.7688 8.0798 8.1764 9.4210 9.5715 10.6274 10.6821 11.8823 11.9736 12.1241 12.1489 12.1522 12.2280 12.3377 12.3763 12.6364 12.6887 15.1155 15.1868 k = 0.6181-0.0682 0.4196 ( 5157 PWs) bands (ev): -66.1194 -66.1194 -35.9103 -35.9102 -34.7100 -34.7098 -34.7097 -34.7096 -9.9147 -9.9142 -9.9120 -9.9102 -8.8895 -8.8891 -8.8774 -8.8740 -8.8727 -8.8702 4.0116 4.0470 5.8490 6.1090 6.1338 6.5859 6.6387 6.9840 7.3445 7.3876 7.4220 7.7683 8.0809 8.1776 9.4193 9.5707 10.6277 10.6821 11.8869 11.9782 12.1286 12.1530 12.1571 12.2325 12.3423 12.3810 12.6332 12.6869 15.1283 15.2027 k = 0.6111-0.0642 0.4309 ( 5153 PWs) bands (ev): -66.1190 -66.1190 -35.9103 -35.9101 -34.7100 -34.7098 -34.7097 -34.7096 -9.9147 -9.9142 -9.9121 -9.9102 -8.8895 -8.8891 -8.8774 -8.8740 -8.8727 -8.8702 4.0123 4.0480 5.8511 6.1089 6.1331 6.5857 6.6398 6.9864 7.3210 7.3990 7.4344 7.7670 8.0839 8.1805 9.4137 9.5681 10.6240 10.6773 11.8904 11.9809 12.1283 12.1511 12.1586 12.2320 12.3435 12.3816 12.6145 12.6723 15.1647 15.2472 k = 0.6042-0.0601 0.4423 ( 5156 PWs) bands (ev): -66.1193 -66.1193 -35.9103 -35.9101 -34.7100 -34.7098 -34.7097 -34.7096 -9.9147 -9.9142 -9.9121 -9.9102 -8.8895 -8.8891 -8.8774 -8.8739 -8.8727 -8.8702 4.0134 4.0496 5.8544 6.1088 6.1320 6.5854 6.6416 6.9900 7.2975 7.4022 7.4546 7.7650 8.0888 8.1851 9.4042 9.5637 10.6171 10.6688 11.8920 11.9821 12.1263 12.1473 12.1600 12.2313 12.3391 12.3782 12.5845 12.6477 15.2242 15.3172 k = 0.5972-0.0561 0.4536 ( 5156 PWs) bands (ev): -66.1193 -66.1193 -35.9103 -35.9101 -34.7100 -34.7098 -34.7097 -34.7096 -9.9147 -9.9141 -9.9121 -9.9101 -8.8895 -8.8891 -8.8774 -8.8739 -8.8727 -8.8703 4.0149 4.0518 5.8590 6.1083 6.1307 6.5852 6.6442 6.9945 7.2746 7.4024 7.4775 7.7622 8.0956 8.1915 9.3910 9.5573 10.6078 10.6574 11.8964 11.9862 12.1244 12.1455 12.1600 12.2305 12.3349 12.3751 12.5471 12.6153 15.3061 15.4102 k = 0.5903-0.0521 0.4649 ( 5154 PWs) bands (ev): -66.1192 -66.1191 -35.9103 -35.9101 -34.7100 -34.7098 -34.7097 -34.7096 -9.9148 -9.9141 -9.9122 -9.9101 -8.8895 -8.8891 -8.8775 -8.8738 -8.8727 -8.8703 4.0169 4.0546 5.8650 6.1072 6.1295 6.5851 6.6479 6.9993 7.2526 7.4015 7.5007 7.7589 8.1043 8.1997 9.3740 9.5489 10.5969 10.6437 11.9012 11.9905 12.1231 12.1434 12.1615 12.2302 12.3297 12.3715 12.5065 12.5787 15.4080 15.5228 k = 0.5833-0.0481 0.4763 ( 5160 PWs) bands (ev): -66.1197 -66.1197 -35.9103 -35.9102 -34.7100 -34.7098 -34.7097 -34.7096 -9.9148 -9.9141 -9.9123 -9.9100 -8.8894 -8.8891 -8.8775 -8.8737 -8.8727 -8.8704 4.0191 4.0578 5.8721 6.1053 6.1286 6.5854 6.6524 7.0038 7.2319 7.3999 7.5235 7.7553 8.1147 8.2094 9.3531 9.5384 10.5831 10.6266 11.9055 11.9938 12.1177 12.1376 12.1606 12.2279 12.3224 12.3657 12.4620 12.5368 15.5274 15.6518 k = 0.5764-0.0441 0.4876 ( 5154 PWs) bands (ev): -66.1192 -66.1192 -35.9103 -35.9101 -34.7100 -34.7098 -34.7097 -34.7096 -9.9148 -9.9140 -9.9123 -9.9100 -8.8894 -8.8891 -8.8775 -8.8737 -8.8727 -8.8705 4.0218 4.0615 5.8803 6.1022 6.1283 6.5863 6.6579 7.0073 7.2131 7.3979 7.5455 7.7515 8.1268 8.2207 9.3287 9.5258 10.5694 10.6094 11.9141 12.0009 12.1163 12.1359 12.1611 12.2267 12.3160 12.3604 12.4231 12.4981 15.6622 15.7952 k = 0.5694-0.0401 0.4990 ( 5154 PWs) bands (ev): -66.1192 -66.1192 -35.9103 -35.9101 -34.7100 -34.7098 -34.7097 -34.7096 -9.9148 -9.9140 -9.9124 -9.9099 -8.8894 -8.8891 -8.8775 -8.8736 -8.8727 -8.8706 4.0247 4.0655 5.8896 6.0979 6.1286 6.5879 6.6644 7.0091 7.1964 7.3956 7.5663 7.7478 8.1404 8.2333 9.3007 9.5108 10.5540 10.5904 11.9226 12.0067 12.1127 12.1335 12.1600 12.2253 12.3071 12.3509 12.3851 12.4577 15.8097 15.9502 k = 0.5625-0.0361 0.5103 ( 5162 PWs) bands (ev): -66.1200 -66.1200 -35.9103 -35.9102 -34.7100 -34.7098 -34.7098 -34.7097 -9.9148 -9.9139 -9.9125 -9.9099 -8.8894 -8.8891 -8.8775 -8.8735 -8.8727 -8.8707 4.0277 4.0696 5.8999 6.0924 6.1296 6.5903 6.6717 7.0085 7.1823 7.3929 7.5853 7.7445 8.1553 8.2466 9.2696 9.4936 10.5384 10.5708 11.9285 12.0098 12.1073 12.1290 12.1560 12.2204 12.2921 12.3291 12.3604 12.4209 15.9667 16.1140 k = 0.5556-0.0321 0.5217 ( 5158 PWs) bands (ev): -66.1196 -66.1196 -35.9103 -35.9101 -34.7100 -34.7098 -34.7098 -34.7097 -9.9149 -9.9139 -9.9125 -9.9098 -8.8893 -8.8891 -8.8775 -8.8734 -8.8727 -8.8708 4.0310 4.0740 5.9109 6.0861 6.1310 6.5935 6.6799 7.0051 7.1711 7.3901 7.6025 7.7417 8.1715 8.2607 9.2361 9.4748 10.5235 10.5522 11.9386 12.0155 12.1055 12.1277 12.1542 12.2169 12.2763 12.3073 12.3492 12.3929 16.1323 16.2860 k = 0.5486-0.0281 0.5330 ( 5158 PWs) bands (ev): -66.1196 -66.1196 -35.9103 -35.9101 -34.7100 -34.7098 -34.7098 -34.7097 -9.9149 -9.9139 -9.9126 -9.9098 -8.8893 -8.8891 -8.8775 -8.8733 -8.8726 -8.8709 4.0342 4.0783 5.9227 6.0789 6.1327 6.5974 6.6887 6.9989 7.1627 7.3872 7.6172 7.7398 8.1887 8.2750 9.2009 9.4545 10.5090 10.5341 11.9485 12.0194 12.1011 12.1251 12.1512 12.2119 12.2550 12.2915 12.3374 12.3712 16.3036 16.4635 k = 0.5417-0.0241 0.5443 ( 5156 PWs) bands (ev): -66.1195 -66.1194 -35.9103 -35.9101 -34.7100 -34.7098 -34.7098 -34.7097 -9.9149 -9.9139 -9.9126 -9.9097 -8.8893 -8.8891 -8.8776 -8.8732 -8.8726 -8.8710 4.0374 4.0825 5.9349 6.0710 6.1347 6.6019 6.6979 6.9905 7.1567 7.3841 7.6293 7.7390 8.2065 8.2889 9.1651 9.4335 10.4959 10.5178 11.9579 12.0217 12.0985 12.1243 12.1492 12.2074 12.2337 12.2808 12.3247 12.3571 16.4785 16.6450 k = 0.5347-0.0200 0.5557 ( 5160 PWs) bands (ev): -66.1198 -66.1198 -35.9103 -35.9101 -34.7100 -34.7098 -34.7098 -34.7097 -9.9149 -9.9138 -9.9126 -9.9097 -8.8892 -8.8891 -8.8776 -8.8731 -8.8726 -8.8711 4.0405 4.0865 5.9473 6.0627 6.1369 6.6068 6.7071 6.9807 7.1524 7.3811 7.6384 7.7393 8.2244 8.3015 9.1298 9.4123 10.4842 10.5034 11.9663 12.0212 12.0946 12.1224 12.1468 12.2006 12.2127 12.2711 12.3096 12.3461 16.6542 16.8283 k = 0.5278-0.0160 0.5670 ( 5154 PWs) bands (ev): -66.1193 -66.1193 -35.9103 -35.9101 -34.7100 -34.7098 -34.7097 -34.7097 -9.9149 -9.9138 -9.9127 -9.9097 -8.8892 -8.8891 -8.8776 -8.8730 -8.8726 -8.8713 4.0433 4.0901 5.9598 6.0540 6.1392 6.6118 6.7159 6.9708 7.1493 7.3782 7.6448 7.7407 8.2420 8.3123 9.0973 9.3926 10.4747 10.4916 11.9759 12.0218 12.0947 12.1251 12.1472 12.1957 12.1998 12.2664 12.2981 12.3403 16.8275 17.0108 k = 0.5208-0.0120 0.5784 ( 5153 PWs) bands (ev): -66.1192 -66.1192 -35.9103 -35.9101 -34.7100 -34.7098 -34.7098 -34.7097 -9.9149 -9.9138 -9.9127 -9.9097 -8.8892 -8.8891 -8.8776 -8.8729 -8.8725 -8.8714 4.0457 4.0931 5.9718 6.0451 6.1413 6.6166 6.7236 6.9616 7.1469 7.3756 7.6487 7.7426 8.2583 8.3204 9.0689 9.3751 10.4670 10.4823 11.9832 12.0204 12.0924 12.1272 12.1479 12.1846 12.1945 12.2634 12.2862 12.3346 16.9930 17.1885 k = 0.5139-0.0080 0.5897 ( 5153 PWs) bands (ev): -66.1192 -66.1192 -35.9103 -35.9101 -34.7100 -34.7098 -34.7098 -34.7097 -9.9149 -9.9138 -9.9127 -9.9096 -8.8892 -8.8891 -8.8776 -8.8729 -8.8725 -8.8714 4.0476 4.0955 5.9829 6.0365 6.1432 6.6208 6.7296 6.9543 7.1450 7.3733 7.6508 7.7445 8.2722 8.3252 9.0467 9.3611 10.4616 10.4757 11.9885 12.0190 12.0896 12.1307 12.1486 12.1736 12.1922 12.2608 12.2773 12.3308 17.1422 17.3543 k = 0.5069-0.0040 0.6010 ( 5153 PWs) bands (ev): -66.1192 -66.1192 -35.9103 -35.9101 -34.7100 -34.7098 -34.7098 -34.7097 -9.9149 -9.9138 -9.9127 -9.9096 -8.8892 -8.8891 -8.8776 -8.8728 -8.8725 -8.8715 4.0488 4.0970 5.9918 6.0292 6.1446 6.6238 6.7332 6.9497 7.1438 7.3717 7.6517 7.7459 8.2824 8.3268 9.0324 9.3520 10.4583 10.4718 11.9916 12.0183 12.0876 12.1352 12.1487 12.1655 12.1917 12.2593 12.2713 12.3285 17.2568 17.4909 k = 0.5000-0.0000 0.6124 ( 5180 PWs) bands (ev): -66.1217 -66.1217 -35.9104 -35.9102 -34.7101 -34.7099 -34.7098 -34.7097 -9.9149 -9.9138 -9.9127 -9.9096 -8.8892 -8.8890 -8.8776 -8.8728 -8.8725 -8.8715 4.0492 4.0975 5.9955 6.0259 6.1451 6.6249 6.7343 6.9480 7.1431 7.3710 7.6518 7.7464 8.2859 8.3262 9.0266 9.3478 10.4572 10.4703 11.9876 12.0108 12.0774 12.1323 12.1415 12.1524 12.1855 12.2463 12.2641 12.3207 17.3026 17.5511 k = 0.5000-0.0000 0.6124 ( 5180 PWs) bands (ev): -66.1217 -66.1217 -35.9104 -35.9102 -34.7101 -34.7099 -34.7098 -34.7097 -9.9149 -9.9138 -9.9127 -9.9096 -8.8892 -8.8890 -8.8776 -8.8728 -8.8725 -8.8715 4.0492 4.0975 5.9955 6.0259 6.1451 6.6249 6.7343 6.9480 7.1431 7.3710 7.6518 7.7464 8.2859 8.3262 9.0266 9.3478 10.4572 10.4703 11.9876 12.0108 12.0774 12.1323 12.1415 12.1524 12.1855 12.2463 12.2641 12.3207 17.3026 17.5511 k = 0.5000 0.0080 0.6010 ( 5156 PWs) bands (ev): -66.1195 -66.1195 -35.9103 -35.9101 -34.7100 -34.7098 -34.7098 -34.7097 -9.9149 -9.9138 -9.9127 -9.9096 -8.8892 -8.8890 -8.8776 -8.8728 -8.8725 -8.8715 4.0483 4.0965 5.9952 6.0250 6.1452 6.6243 6.7325 6.9487 7.1439 7.3720 7.6508 7.7452 8.2823 8.3309 9.0301 9.3495 10.4588 10.4725 11.9919 12.0181 12.0866 12.1318 12.1495 12.1670 12.1896 12.2582 12.2735 12.3291 17.2937 17.5375 k = 0.5000 0.0160 0.5897 ( 5152 PWs) bands (ev): -66.1191 -66.1191 -35.9103 -35.9101 -34.7100 -34.7098 -34.7098 -34.7097 -9.9149 -9.9138 -9.9127 -9.9096 -8.8892 -8.8890 -8.8776 -8.8729 -8.8725 -8.8715 4.0456 4.0934 5.9943 6.0221 6.1454 6.6221 6.7275 6.9502 7.1453 7.3746 7.6474 7.7418 8.2734 8.3402 9.0387 9.3526 10.4636 10.4787 11.9923 12.0230 12.0955 12.1225 12.1565 12.1803 12.1872 12.2623 12.2848 12.3338 17.2676 17.4995 k = 0.5000 0.0241 0.5784 ( 5154 PWs) bands (ev): -66.1193 -66.1193 -35.9103 -35.9101 -34.7100 -34.7098 -34.7098 -34.7097 -9.9149 -9.9138 -9.9126 -9.9097 -8.8892 -8.8890 -8.8776 -8.8730 -8.8724 -8.8714 4.0410 4.0883 5.9927 6.0174 6.1458 6.6174 6.7210 6.9524 7.1467 7.3794 7.6412 7.7371 8.2626 8.3501 9.0531 9.3578 10.4713 10.4886 11.9927 12.0268 12.1020 12.1154 12.1635 12.1813 12.1978 12.2659 12.3000 12.3404 17.2264 17.4439 k = 0.5000 0.0321 0.5670 ( 5154 PWs) bands (ev): -66.1193 -66.1193 -35.9103 -35.9101 -34.7100 -34.7098 -34.7097 -34.7097 -9.9149 -9.9139 -9.9126 -9.9097 -8.8892 -8.8890 -8.8776 -8.8731 -8.8724 -8.8714 4.0346 4.0811 5.9902 6.0114 6.1463 6.6093 6.7151 6.9549 7.1470 7.3866 7.6318 7.7322 8.2508 8.3584 9.0743 9.3665 10.4819 10.5020 11.9936 12.0305 12.0983 12.1216 12.1683 12.1840 12.2188 12.2753 12.3188 12.3512 17.1726 17.3765 k = 0.5000 0.0401 0.5557 ( 5154 PWs) bands (ev): -66.1193 -66.1193 -35.9103 -35.9101 -34.7100 -34.7098 -34.7097 -34.7097 -9.9149 -9.9139 -9.9125 -9.9097 -8.8892 -8.8890 -8.8776 -8.8732 -8.8723 -8.8713 4.0266 4.0721 5.9867 6.0046 6.1470 6.5971 6.7115 6.9576 7.1452 7.3962 7.6189 7.7280 8.2379 8.3637 9.1025 9.3794 10.4949 10.5180 11.9956 12.0335 12.0895 12.1304 12.1697 12.1919 12.2461 12.2915 12.3405 12.3672 17.1090 17.3015 k = 0.5000 0.0481 0.5443 ( 5150 PWs) bands (ev): -66.1189 -66.1189 -35.9103 -35.9101 -34.7100 -34.7098 -34.7097 -34.7097 -9.9148 -9.9139 -9.9125 -9.9097 -8.8892 -8.8890 -8.8775 -8.8734 -8.8723 -8.8713 4.0168 4.0611 5.9817 5.9977 6.1478 6.5812 6.7107 6.9603 7.1409 7.4081 7.6029 7.7250 8.2234 8.3649 9.1382 9.3977 10.5100 10.5363 11.9982 12.0358 12.0807 12.1361 12.1728 12.1999 12.2806 12.3179 12.3679 12.3936 17.0380 17.2214 k = 0.5000 0.0561 0.5330 ( 5150 PWs) bands (ev): -66.1189 -66.1189 -35.9103 -35.9101 -34.7100 -34.7098 -34.7097 -34.7097 -9.9148 -9.9140 -9.9124 -9.9098 -8.8892 -8.8889 -8.8775 -8.8735 -8.8722 -8.8712 4.0055 4.0484 5.9749 5.9912 6.1489 6.5627 6.7122 6.9630 7.1337 7.4212 7.5848 7.7232 8.2070 8.3611 9.1814 9.4219 10.5267 10.5562 11.9996 12.0371 12.0724 12.1374 12.1778 12.2067 12.3210 12.3540 12.3926 12.4223 16.9612 17.1376 k = 0.5000 0.0642 0.5217 ( 5156 PWs) bands (ev): -66.1194 -66.1194 -35.9103 -35.9101 -34.7100 -34.7098 -34.7097 -34.7097 -9.9148 -9.9140 -9.9123 -9.9098 -8.8893 -8.8889 -8.8775 -8.8737 -8.8722 -8.8712 3.9926 4.0340 5.9665 5.9852 6.1503 6.5427 6.7153 6.9656 7.1239 7.4341 7.5661 7.7223 8.1883 8.3521 9.2315 9.4525 10.5447 10.5771 11.9999 12.0366 12.0646 12.1353 12.1804 12.2100 12.3652 12.3967 12.4175 12.4557 16.8802 17.0515 k = 0.5000 0.0722 0.5103 ( 5154 PWs) bands (ev): -66.1192 -66.1192 -35.9103 -35.9101 -34.7100 -34.7098 -34.7097 -34.7097 -9.9148 -9.9140 -9.9123 -9.9099 -8.8893 -8.8889 -8.8775 -8.8739 -8.8721 -8.8711 3.9784 4.0182 5.9572 5.9793 6.1521 6.5221 6.7194 6.9681 7.1120 7.4441 7.5498 7.7221 8.1674 8.3384 9.2885 9.4902 10.5639 10.5988 12.0025 12.0376 12.0600 12.1343 12.1847 12.2134 12.4107 12.4462 12.4534 12.5019 16.7964 16.9640 k = 0.5000 0.0802 0.4990 ( 5162 PWs) bands (ev): -66.1200 -66.1199 -35.9103 -35.9102 -34.7100 -34.7099 -34.7097 -34.7097 -9.9147 -9.9141 -9.9122 -9.9099 -8.8893 -8.8889 -8.8775 -8.8740 -8.8720 -8.8711 3.9628 4.0008 5.9477 5.9733 6.1544 6.5018 6.7238 6.9703 7.0986 7.4466 7.5401 7.7223 8.1443 8.3200 9.3514 9.5344 10.5832 10.6202 11.9996 12.0370 12.0516 12.1304 12.1846 12.2124 12.4498 12.4896 12.5068 12.5587 16.7105 16.8755 k = 0.5000 0.0882 0.4876 ( 5158 PWs) bands (ev): -66.1196 -66.1196 -35.9103 -35.9101 -34.7100 -34.7099 -34.7097 -34.7097 -9.9147 -9.9141 -9.9121 -9.9100 -8.8893 -8.8889 -8.8774 -8.8742 -8.8719 -8.8710 3.9461 3.9823 5.9382 5.9669 6.1573 6.4822 6.7282 6.9722 7.0841 7.4380 7.5408 7.7228 8.1193 8.2980 9.4198 9.5854 10.6035 10.6421 11.9998 12.0385 12.0487 12.1293 12.1883 12.2154 12.4890 12.5351 12.5738 12.6295 16.6234 16.7867 k = 0.5000 0.0962 0.4763 ( 5158 PWs) bands (ev): -66.1196 -66.1195 -35.9103 -35.9101 -34.7100 -34.7099 -34.7097 -34.7097 -9.9146 -9.9141 -9.9121 -9.9101 -8.8893 -8.8889 -8.8774 -8.8744 -8.8719 -8.8710 3.9283 3.9627 5.9291 5.9603 6.1608 6.4637 6.7323 6.9734 7.0693 7.4202 7.5499 7.7234 8.0927 8.2727 9.4926 9.6422 10.6236 10.6632 11.9982 12.0389 12.0466 12.1276 12.1907 12.2171 12.5275 12.5812 12.6466 12.7082 16.5356 16.6978 k = 0.5000 0.1042 0.4649 ( 5166 PWs) bands (ev): -66.1203 -66.1203 -35.9103 -35.9102 -34.7100 -34.7099 -34.7097 -34.7097 -9.9146 -9.9141 -9.9120 -9.9102 -8.8894 -8.8888 -8.8774 -8.8746 -8.8718 -8.8709 3.9097 3.9421 5.9205 5.9534 6.1649 6.4463 6.7357 6.9733 7.0548 7.3973 7.5631 7.7239 8.0650 8.2450 9.5689 9.7039 10.6434 10.6835 11.9922 12.0335 12.0451 12.1236 12.1903 12.2157 12.5662 12.6278 12.7252 12.7944 16.4476 16.6091 k = 0.5000 0.1123 0.4536 ( 5162 PWs) bands (ev): -66.1199 -66.1199 -35.9103 -35.9102 -34.7100 -34.7099 -34.7097 -34.7096 -9.9146 -9.9141 -9.9120 -9.9102 -8.8894 -8.8888 -8.8774 -8.8748 -8.8717 -8.8709 3.8903 3.9208 5.9126 5.9463 6.1698 6.4302 6.7382 6.9711 7.0421 7.3721 7.5778 7.7244 8.0366 8.2156 9.6486 9.7703 10.6642 10.7043 11.9906 12.0315 12.0478 12.1221 12.1923 12.2173 12.6114 12.6803 12.8117 12.8888 16.3599 16.5212 k = 0.5000 0.1203 0.4423 ( 5164 PWs) bands (ev): -66.1201 -66.1201 -35.9103 -35.9102 -34.7100 -34.7099 -34.7097 -34.7096 -9.9145 -9.9141 -9.9119 -9.9103 -8.8894 -8.8888 -8.8773 -8.8749 -8.8716 -8.8709 3.8704 3.8990 5.9054 5.9392 6.1753 6.4156 6.7398 6.9655 7.0323 7.3457 7.5929 7.7248 8.0078 8.1851 9.7302 9.8400 10.6836 10.7234 11.9873 12.0281 12.0506 12.1194 12.1928 12.2180 12.6577 12.7342 12.9009 12.9866 16.2729 16.4341 k = 0.5000 0.1283 0.4309 ( 5162 PWs) bands (ev): -66.1199 -66.1199 -35.9103 -35.9102 -34.7100 -34.7099 -34.7096 -34.7096 -9.9144 -9.9141 -9.9119 -9.9104 -8.8894 -8.8888 -8.8773 -8.8751 -8.8715 -8.8708 3.8501 3.8768 5.8990 5.9322 6.1817 6.4024 6.7402 6.9558 7.0264 7.3189 7.6076 7.7249 7.9791 8.1540 9.8134 9.9123 10.7034 10.7427 11.9864 12.0272 12.0543 12.1178 12.1946 12.2192 12.7071 12.7911 12.9953 13.0900 16.1867 16.3481 k = 0.5000 0.1363 0.4196 ( 5168 PWs) bands (ev): -66.1205 -66.1205 -35.9103 -35.9102 -34.7100 -34.7099 -34.7096 -34.7096 -9.9144 -9.9140 -9.9118 -9.9105 -8.8895 -8.8888 -8.8773 -8.8753 -8.8714 -8.8708 3.8296 3.8544 5.8934 5.9253 6.1888 6.3906 6.7393 6.9424 7.0239 7.2918 7.6218 7.7247 7.9507 8.1229 9.8972 9.9860 10.7213 10.7595 11.9832 12.0241 12.0549 12.1132 12.1947 12.2191 12.7596 12.8509 13.0915 13.1954 16.1016 16.2633 k = 0.5000 0.1443 0.4082 ( 5168 PWs) bands (ev): -66.1205 -66.1205 -35.9103 -35.9102 -34.7100 -34.7099 -34.7096 -34.7096 -9.9143 -9.9140 -9.9118 -9.9106 -8.8895 -8.8888 -8.8772 -8.8754 -8.8713 -8.8708 3.8090 3.8319 5.8886 5.9187 6.1967 6.3802 6.7370 6.9267 7.0237 7.2650 7.6353 7.7243 7.9232 8.0923 9.9812 10.0608 10.7394 10.7762 11.9826 12.0236 12.0574 12.1107 12.1962 12.2203 12.8171 12.9155 13.1919 13.3050 16.0178 16.1799 k = 0.5000 0.1524 0.3969 ( 5166 PWs) bands (ev): -66.1203 -66.1203 -35.9103 -35.9102 -34.7100 -34.7100 -34.7096 -34.7096 -9.9143 -9.9140 -9.9118 -9.9107 -8.8895 -8.8889 -8.8772 -8.8756 -8.8712 -8.8707 3.7885 3.8097 5.8846 5.9124 6.2055 6.3713 6.7332 6.9095 7.0248 7.2385 7.6480 7.7236 7.8966 8.0626 10.0645 10.1356 10.7579 10.7931 11.9830 12.0240 12.0596 12.1081 12.1986 12.2223 12.8782 12.9835 13.2962 13.4183 15.9355 16.0979 k = 0.5000 0.1604 0.3856 ( 5160 PWs) bands (ev): -66.1197 -66.1197 -35.9103 -35.9102 -34.7100 -34.7100 -34.7096 -34.7096 -9.9142 -9.9139 -9.9118 -9.9108 -8.8895 -8.8889 -8.8772 -8.8757 -8.8711 -8.8707 3.7682 3.7877 5.8813 5.9066 6.2150 6.3638 6.7278 6.8915 7.0266 7.2128 7.6598 7.7227 7.8714 8.0341 10.1477 10.2109 10.7749 10.8084 11.9841 12.0253 12.0641 12.1083 12.2008 12.2236 12.9477 13.0597 13.4014 13.5321 15.8549 16.0175 k = 0.5000 0.1684 0.3742 ( 5164 PWs) bands (ev): -66.1201 -66.1201 -35.9103 -35.9102 -34.7100 -34.7100 -34.7096 -34.7096 -9.9141 -9.9139 -9.9118 -9.9109 -8.8896 -8.8889 -8.8772 -8.8759 -8.8710 -8.8707 3.7484 3.7662 5.8786 5.9012 6.2254 6.3577 6.7207 6.8730 7.0285 7.1880 7.6706 7.7214 7.8476 8.0070 10.2275 10.2834 10.7909 10.8224 11.9844 12.0252 12.0643 12.1045 12.2015 12.2234 13.0165 13.1348 13.5073 13.6464 15.7759 15.9384 k = 0.5000 0.1764 0.3629 ( 5160 PWs) bands (ev): -66.1197 -66.1197 -35.9103 -35.9102 -34.7100 -34.7100 -34.7096 -34.7096 -9.9140 -9.9138 -9.9118 -9.9110 -8.8896 -8.8889 -8.8772 -8.8760 -8.8709 -8.8706 3.7291 3.7454 5.8766 5.8963 6.2366 6.3531 6.7119 6.8541 7.0304 7.1645 7.6802 7.7199 7.8255 7.9816 10.3050 10.3539 10.8076 10.8369 11.9884 12.0285 12.0659 12.1021 12.2048 12.2256 13.0910 13.2149 13.6154 13.7623 15.6988 15.8608 k = 0.5000 0.1844 0.3515 ( 5154 PWs) bands (ev): -66.1191 -66.1191 -35.9103 -35.9102 -34.7100 -34.7100 -34.7095 -34.7095 -9.9140 -9.9137 -9.9118 -9.9111 -8.8896 -8.8890 -8.8772 -8.8761 -8.8708 -8.8706 3.7106 3.7253 5.8750 5.8919 6.2486 6.3500 6.7016 6.8348 7.0323 7.1425 7.6884 7.7185 7.8053 7.9582 10.3803 10.4228 10.8235 10.8504 11.9921 12.0309 12.0674 12.0996 12.2079 12.2283 13.1734 13.3021 13.7231 13.8769 15.6236 15.7844 k = 0.5000 0.1925 0.3402 ( 5148 PWs) bands (ev): -66.1186 -66.1186 -35.9103 -35.9101 -34.7100 -34.7100 -34.7095 -34.7095 -9.9139 -9.9137 -9.9118 -9.9112 -8.8896 -8.8890 -8.8771 -8.8762 -8.8708 -8.8705 3.6929 3.7062 5.8739 5.8879 6.2614 6.3483 6.6898 6.8151 7.0338 7.1222 7.6946 7.7174 7.7875 7.9367 10.4514 10.4878 10.8395 10.8638 11.9965 12.0337 12.0687 12.0970 12.2116 12.2312 13.2588 13.3916 13.8305 13.9902 15.5502 15.7090 k = 0.5000 0.2005 0.3289 ( 5158 PWs) bands (ev): -66.1195 -66.1195 -35.9103 -35.9102 -34.7100 -34.7100 -34.7095 -34.7095 -9.9138 -9.9136 -9.9118 -9.9113 -8.8896 -8.8890 -8.8771 -8.8763 -8.8707 -8.8705 3.6761 3.6881 5.8730 5.8844 6.2750 6.3481 6.6765 6.7947 7.0349 7.1040 7.6976 7.7170 7.7725 7.9170 10.5157 10.5463 10.8529 10.8745 11.9970 12.0324 12.0673 12.0922 12.2107 12.2294 13.3436 13.4797 13.9339 14.0983 15.4786 15.6341 k = 0.5000 0.2085 0.3175 ( 5160 PWs) bands (ev): -66.1197 -66.1197 -35.9103 -35.9102 -34.7100 -34.7100 -34.7095 -34.7095 -9.9137 -9.9135 -9.9119 -9.9115 -8.8896 -8.8891 -8.8771 -8.8764 -8.8706 -8.8705 3.6605 3.6711 5.8724 5.8815 6.2893 6.3494 6.6622 6.7737 7.0356 7.0879 7.6975 7.7163 7.7618 7.8993 10.5755 10.6006 10.8664 10.8852 12.0021 12.0353 12.0675 12.0893 12.2124 12.2295 13.4343 13.5726 14.0347 14.2017 15.4090 15.5597 k = 0.5000 0.2165 0.3062 ( 5162 PWs) bands (ev): -66.1199 -66.1199 -35.9103 -35.9102 -34.7100 -34.7100 -34.7095 -34.7095 -9.9136 -9.9134 -9.9119 -9.9116 -8.8896 -8.8891 -8.8771 -8.8765 -8.8705 -8.8704 3.6460 3.6554 5.8720 5.8789 6.3043 6.3521 6.6471 6.7520 7.0359 7.0741 7.6954 7.7129 7.7568 7.8835 10.6292 10.6493 10.8800 10.8959 12.0083 12.0388 12.0675 12.0860 12.2138 12.2293 13.5286 13.6680 14.1320 14.2992 15.3411 15.4850 k = 0.5000 0.2245 0.2948 ( 5154 PWs) bands (ev): -66.1191 -66.1191 -35.9102 -35.9102 -34.7100 -34.7100 -34.7095 -34.7095 -9.9135 -9.9134 -9.9120 -9.9117 -8.8896 -8.8892 -8.8771 -8.8766 -8.8705 -8.8704 3.6329 3.6411 5.8718 5.8768 6.3199 6.3562 6.6315 6.7296 7.0359 7.0626 7.6923 7.7067 7.7570 7.8696 10.6782 10.6938 10.8959 10.9090 12.0152 12.0428 12.0701 12.0857 12.2174 12.2314 13.6290 13.7682 14.2263 14.3909 15.2752 15.4098 k = 0.5000 0.2325 0.2835 ( 5160 PWs) bands (ev): -66.1197 -66.1197 -35.9103 -35.9102 -34.7100 -34.7100 -34.7095 -34.7095 -9.9134 -9.9133 -9.9120 -9.9118 -8.8896 -8.8892 -8.8771 -8.8767 -8.8704 -8.8704 3.6211 3.6282 5.8716 5.8750 6.3359 6.3616 6.6159 6.7068 7.0355 7.0531 7.6885 7.6991 7.7602 7.8571 10.7193 10.7304 10.9075 10.9173 12.0201 12.0441 12.0705 12.0824 12.2174 12.2300 13.7305 13.8682 14.3093 14.4674 15.2112 15.3334 k = 0.5000 0.2406 0.2722 ( 5158 PWs) bands (ev): -66.1195 -66.1195 -35.9102 -35.9102 -34.7100 -34.7100 -34.7095 -34.7095 -9.9133 -9.9132 -9.9121 -9.9119 -8.8896 -8.8893 -8.8771 -8.8768 -8.8704 -8.8703 3.6108 3.6168 5.8714 5.8737 6.3520 6.3682 6.6007 6.6838 7.0347 7.0457 7.6848 7.6917 7.7648 7.8461 10.7543 10.7617 10.9207 10.9277 12.0276 12.0477 12.0730 12.0814 12.2190 12.2298 13.8352 13.9702 14.3854 14.5331 15.1497 15.2561 k = 0.5000 0.2486 0.2608 ( 5154 PWs) bands (ev): -66.1192 -66.1192 -35.9102 -35.9102 -34.7100 -34.7100 -34.7095 -34.7095 -9.9132 -9.9131 -9.9121 -9.9120 -8.8896 -8.8893 -8.8771 -8.8768 -8.8703 -8.8703 3.6021 3.6070 5.8713 5.8726 6.3678 6.3759 6.5865 6.6608 7.0337 7.0400 7.6811 7.6853 7.7701 7.8363 10.7829 10.7872 10.9339 10.9383 12.0340 12.0507 12.0765 12.0826 12.2210 12.2301 13.9415 14.0727 14.4505 14.5838 15.0916 15.1784 k = 0.5000 0.2566 0.2495 ( 5158 PWs) bands (ev): -66.1196 -66.1196 -35.9102 -35.9102 -34.7100 -34.7100 -34.7095 -34.7095 -9.9131 -9.9130 -9.9122 -9.9121 -8.8896 -8.8894 -8.8771 -8.8769 -8.8703 -8.8703 3.5949 3.5988 5.8711 5.8718 6.3824 6.3844 6.5741 6.6383 7.0325 7.0359 7.6778 7.6799 7.7756 7.8275 10.8038 10.8058 10.9444 10.9468 12.0378 12.0508 12.0774 12.0813 12.2216 12.2290 14.0468 14.1733 14.4987 14.6153 15.0383 15.1019 k = 0.5000 0.2646 0.2381 ( 5160 PWs) bands (ev): -66.1198 -66.1198 -35.9102 -35.9102 -34.7100 -34.7100 -34.7095 -34.7095 -9.9130 -9.9129 -9.9123 -9.9122 -8.8896 -8.8894 -8.8771 -8.8769 -8.8703 -8.8703 3.5894 3.5923 5.8709 5.8712 6.3923 6.3958 6.5647 6.6168 7.0312 7.0331 7.6749 7.6758 7.7812 7.8196 10.8200 10.8206 10.9549 10.9558 12.0410 12.0498 12.0773 12.0789 12.2212 12.2267 14.1518 14.2729 14.5260 14.6283 14.9938 15.0320 k = 0.5000 0.2726 0.2268 ( 5152 PWs) bands (ev): -66.1190 -66.1190 -35.9102 -35.9102 -34.7100 -34.7100 -34.7094 -34.7094 -9.9129 -9.9128 -9.9124 -9.9123 -8.8896 -8.8894 -8.8771 -8.8769 -8.8702 -8.8702 3.5856 3.5875 5.8708 5.8709 6.4004 6.4055 6.5597 6.5972 7.0302 7.0314 7.6728 7.6731 7.7871 7.8124 10.8315 10.8317 10.9643 10.9646 12.0466 12.0518 12.0809 12.0810 12.2236 12.2270 14.2525 14.3680 14.5250 14.6225 14.9609 14.9761 k = 0.5000 0.2807 0.2155 ( 5162 PWs) bands (ev): -66.1200 -66.1199 -35.9102 -35.9102 -34.7100 -34.7100 -34.7095 -34.7095 -9.9128 -9.9128 -9.9124 -9.9124 -8.8895 -8.8895 -8.8770 -8.8770 -8.8702 -8.8702 3.5835 3.5844 5.8707 5.8707 6.4070 6.4106 6.5605 6.5803 7.0296 7.0303 7.6713 7.6713 7.7929 7.8054 10.8354 10.8356 10.9669 10.9670 12.0471 12.0498 12.0797 12.0797 12.2212 12.2229 14.3432 14.4500 14.4931 14.5906 14.9375 14.9396 k = 0.5000 0.2887 0.2041 ( 5168 PWs) bands (ev): -66.1205 -66.1205 -35.9102 -35.9102 -34.7100 -34.7100 -34.7095 -34.7095 -9.9128 -9.9128 -9.9124 -9.9124 -8.8895 -8.8895 -8.8770 -8.8770 -8.8702 -8.8702 3.5831 3.5831 5.8706 5.8706 6.4109 6.4109 6.5676 6.5676 7.0296 7.0296 7.6707 7.6707 7.7989 7.7989 10.8360 10.8360 10.9669 10.9669 12.0479 12.0479 12.0789 12.0789 12.2204 12.2204 14.4219 14.4219 14.5338 14.5338 14.9280 14.9280 k = 0.5000 0.2887 0.2041 ( 5168 PWs) bands (ev): -66.1205 -66.1205 -35.9102 -35.9102 -34.7100 -34.7100 -34.7095 -34.7095 -9.9128 -9.9128 -9.9124 -9.9124 -8.8895 -8.8895 -8.8770 -8.8770 -8.8702 -8.8702 3.5831 3.5831 5.8706 5.8706 6.4109 6.4109 6.5676 6.5676 7.0296 7.0296 7.6707 7.6707 7.7989 7.7989 10.8360 10.8360 10.9669 10.9669 12.0479 12.0479 12.0789 12.0789 12.2204 12.2204 14.4219 14.4219 14.5338 14.5338 14.9280 14.9280 k = 0.4960 0.2863 0.2173 ( 5164 PWs) bands (ev): -66.1201 -66.1201 -35.9102 -35.9102 -34.7100 -34.7100 -34.7095 -34.7095 -9.9128 -9.9128 -9.9124 -9.9124 -8.8895 -8.8895 -8.8770 -8.8770 -8.8702 -8.8702 3.5835 3.5845 5.8707 5.8707 6.4070 6.4106 6.5605 6.5804 7.0296 7.0303 7.6713 7.6713 7.7928 7.8054 10.8349 10.8351 10.9663 10.9664 12.0470 12.0497 12.0795 12.0796 12.2205 12.2222 14.3426 14.4492 14.4932 14.5902 14.9380 14.9386 k = 0.4919 0.2840 0.2305 ( 5156 PWs) bands (ev): -66.1194 -66.1194 -35.9102 -35.9102 -34.7100 -34.7100 -34.7095 -34.7095 -9.9129 -9.9128 -9.9124 -9.9123 -8.8896 -8.8894 -8.8771 -8.8769 -8.8702 -8.8702 3.5856 3.5876 5.8708 5.8709 6.4003 6.4054 6.5597 6.5974 7.0303 7.0314 7.6729 7.6730 7.7870 7.8124 10.8309 10.8310 10.9637 10.9640 12.0455 12.0511 12.0801 12.0801 12.2219 12.2254 14.2506 14.3653 14.5276 14.6214 14.9669 14.9699 k = 0.4879 0.2817 0.2436 ( 5161 PWs) bands (ev): -66.1198 -66.1198 -35.9102 -35.9102 -34.7100 -34.7100 -34.7095 -34.7095 -9.9130 -9.9129 -9.9123 -9.9122 -8.8896 -8.8894 -8.8771 -8.8769 -8.8703 -8.8703 3.5895 3.5924 5.8709 5.8713 6.3922 6.3956 6.5648 6.6172 7.0316 7.0328 7.6753 7.6756 7.7811 7.8197 10.8191 10.8195 10.9545 10.9554 12.0410 12.0499 12.0777 12.0785 12.2215 12.2269 14.1490 14.2680 14.5354 14.6212 15.0101 15.0168 k = 0.4839 0.2794 0.2568 ( 5161 PWs) bands (ev): -66.1198 -66.1198 -35.9102 -35.9102 -34.7100 -34.7100 -34.7095 -34.7095 -9.9131 -9.9130 -9.9122 -9.9121 -8.8896 -8.8894 -8.8771 -8.8769 -8.8703 -8.8703 3.5951 3.5990 5.8709 5.8719 6.3826 6.3836 6.5743 6.6388 7.0337 7.0347 7.6786 7.6793 7.7754 7.8277 10.8033 10.8051 10.9442 10.9463 12.0366 12.0492 12.0770 12.0789 12.2206 12.2280 14.0441 14.1669 14.5187 14.5978 15.0659 15.0754 k = 0.4798 0.2770 0.2700 ( 5159 PWs) bands (ev): -66.1197 -66.1196 -35.9102 -35.9102 -34.7100 -34.7100 -34.7095 -34.7095 -9.9132 -9.9131 -9.9121 -9.9120 -8.8896 -8.8893 -8.8771 -8.8768 -8.8703 -8.8703 3.6023 3.6073 5.8710 5.8729 6.3676 6.3753 6.5868 6.6615 7.0369 7.0370 7.6826 7.6840 7.7699 7.8366 10.7822 10.7860 10.9332 10.9371 12.0324 12.0484 12.0763 12.0784 12.2196 12.2287 13.9376 14.0635 14.4837 14.5583 15.1266 15.1372 k = 0.4758 0.2747 0.2831 ( 5159 PWs) bands (ev): -66.1196 -66.1196 -35.9102 -35.9102 -34.7100 -34.7100 -34.7095 -34.7095 -9.9133 -9.9132 -9.9121 -9.9119 -8.8896 -8.8893 -8.8771 -8.8768 -8.8704 -8.8703 3.6112 3.6172 5.8709 5.8742 6.3518 6.3676 6.6010 6.6846 7.0396 7.0410 7.6873 7.6896 7.7646 7.8464 10.7535 10.7603 10.9205 10.9268 12.0272 12.0471 12.0763 12.0793 12.2179 12.2287 13.8292 13.9574 14.4344 14.5061 15.1858 15.1966 k = 0.4718 0.2724 0.2963 ( 5163 PWs) bands (ev): -66.1200 -66.1200 -35.9103 -35.9102 -34.7100 -34.7100 -34.7095 -34.7095 -9.9134 -9.9133 -9.9120 -9.9118 -8.8896 -8.8892 -8.8771 -8.8767 -8.8704 -8.8703 3.6216 3.6287 5.8708 5.8758 6.3358 6.3609 6.6163 6.7078 7.0426 7.0463 7.6925 7.6957 7.7599 7.8575 10.7176 10.7281 10.9067 10.9157 12.0191 12.0428 12.0756 12.0796 12.2156 12.2283 13.7210 13.8508 14.3741 14.4439 15.2401 15.2508 k = 0.4677 0.2701 0.3095 ( 5153 PWs) bands (ev): -66.1191 -66.1190 -35.9102 -35.9102 -34.7100 -34.7100 -34.7095 -34.7095 -9.9135 -9.9134 -9.9119 -9.9117 -8.8896 -8.8892 -8.8771 -8.8766 -8.8705 -8.8704 3.6334 3.6417 5.8706 5.8780 6.3200 6.3553 6.6318 6.7308 7.0461 7.0529 7.6980 7.7019 7.7566 7.8703 10.6770 10.6917 10.8958 10.9077 12.0155 12.0427 12.0777 12.0815 12.2159 12.2300 13.6175 13.7477 14.3091 14.3777 15.2875 15.2983 k = 0.4637 0.2677 0.3226 ( 5156 PWs) bands (ev): -66.1193 -66.1193 -35.9103 -35.9102 -34.7100 -34.7100 -34.7095 -34.7095 -9.9136 -9.9135 -9.9119 -9.9116 -8.8896 -8.8891 -8.8771 -8.8765 -8.8706 -8.8704 3.6467 3.6562 5.8703 5.8807 6.3046 6.3511 6.6472 6.7531 7.0500 7.0607 7.7036 7.7063 7.7559 7.8844 10.6270 10.6463 10.8821 10.8970 12.0083 12.0390 12.0785 12.0828 12.2130 12.2291 13.5125 13.6422 14.2360 14.3036 15.3259 15.3376 k = 0.4597 0.2654 0.3358 ( 5160 PWs) bands (ev): -66.1197 -66.1197 -35.9103 -35.9102 -34.7100 -34.7100 -34.7095 -34.7095 -9.9137 -9.9136 -9.9118 -9.9115 -8.8896 -8.8891 -8.8771 -8.8764 -8.8706 -8.8704 3.6613 3.6720 5.8698 5.8841 6.2899 6.3483 6.6620 6.7747 7.0546 7.0698 7.7074 7.7092 7.7597 7.9004 10.5706 10.5949 10.8687 10.8865 12.0008 12.0347 12.0785 12.0827 12.2098 12.2275 13.4104 13.5385 14.1593 14.2259 15.3553 15.3686 k = 0.4556 0.2631 0.3490 ( 5157 PWs) bands (ev): -66.1194 -66.1194 -35.9103 -35.9102 -34.7100 -34.7100 -34.7095 -34.7095 -9.9138 -9.9136 -9.9118 -9.9114 -8.8896 -8.8890 -8.8771 -8.8763 -8.8707 -8.8705 3.6771 3.6891 5.8694 5.8880 6.2759 6.3470 6.6759 6.7953 7.0599 7.0802 7.7047 7.7148 7.7687 7.9184 10.5094 10.5390 10.8555 10.8762 11.9958 12.0329 12.0809 12.0849 12.2083 12.2279 13.3139 13.4392 14.0795 14.1453 15.3762 15.3917 k = 0.4516 0.2607 0.3622 ( 5162 PWs) bands (ev): -66.1199 -66.1199 -35.9103 -35.9102 -34.7100 -34.7100 -34.7095 -34.7095 -9.9138 -9.9137 -9.9117 -9.9113 -8.8896 -8.8890 -8.8771 -8.8762 -8.8708 -8.8705 3.6940 3.7073 5.8688 5.8927 6.2628 6.3473 6.6886 6.8148 7.0660 7.0917 7.6988 7.7200 7.7819 7.9382 10.4399 10.4751 10.8427 10.8662 11.9887 12.0286 12.0830 12.0872 12.2050 12.2271 13.2153 13.3369 13.9986 14.0634 15.3893 15.4074 k = 0.4476 0.2584 0.3753 ( 5158 PWs) bands (ev): -66.1195 -66.1195 -35.9103 -35.9102 -34.7100 -34.7100 -34.7095 -34.7095 -9.9139 -9.9138 -9.9117 -9.9112 -8.8896 -8.8890 -8.8771 -8.8761 -8.8709 -8.8705 3.7119 3.7266 5.8683 5.8982 6.2504 6.3492 6.6996 6.8332 7.0732 7.1042 7.6911 7.7249 7.7983 7.9601 10.3680 10.4091 10.8300 10.8562 11.9850 12.0282 12.0871 12.0905 12.2035 12.2268 13.1258 13.2427 13.9162 13.9801 15.3957 15.4167 k = 0.4435 0.2561 0.3885 ( 5159 PWs) bands (ev): -66.1196 -66.1196 -35.9103 -35.9102 -34.7100 -34.7100 -34.7096 -34.7095 -9.9140 -9.9139 -9.9117 -9.9111 -8.8896 -8.8889 -8.8772 -8.8760 -8.8710 -8.8705 3.7306 3.7467 5.8677 5.9046 6.2390 6.3527 6.7089 6.8506 7.0815 7.1175 7.6819 7.7295 7.8172 7.9838 10.2920 10.3390 10.8166 10.8456 11.9779 12.0241 12.0899 12.0929 12.2003 12.2261 13.0415 13.1524 13.8327 13.8955 15.3962 15.4204 k = 0.4395 0.2538 0.4017 ( 5163 PWs) bands (ev): -66.1200 -66.1200 -35.9103 -35.9102 -34.7100 -34.7100 -34.7096 -34.7096 -9.9140 -9.9140 -9.9116 -9.9110 -8.8896 -8.8889 -8.8772 -8.8759 -8.8712 -8.8705 3.7500 3.7676 5.8672 5.9119 6.2283 6.3578 6.7162 6.8669 7.0910 7.1313 7.6714 7.7336 7.8382 8.0090 10.2118 10.2651 10.8031 10.8347 11.9716 12.0206 12.0923 12.0947 12.1959 12.2241 12.9596 13.0640 13.7492 13.8108 15.3921 15.4194 k = 0.4355 0.2514 0.4148 ( 5161 PWs) bands (ev): -66.1198 -66.1198 -35.9103 -35.9102 -34.7100 -34.7100 -34.7096 -34.7096 -9.9141 -9.9141 -9.9116 -9.9109 -8.8896 -8.8889 -8.8772 -8.8757 -8.8713 -8.8705 3.7700 3.7890 5.8667 5.9201 6.2185 6.3647 6.7214 6.8824 7.1018 7.1455 7.6599 7.7374 7.8611 8.0357 10.1300 10.1896 10.7895 10.8237 11.9678 12.0198 12.0954 12.0966 12.1952 12.2251 12.8850 12.9820 13.6658 13.7263 15.3845 15.4150 k = 0.4315 0.2491 0.4280 ( 5157 PWs) bands (ev): -66.1194 -66.1194 -35.9103 -35.9102 -34.7100 -34.7099 -34.7096 -34.7096 -9.9142 -9.9141 -9.9116 -9.9108 -8.8895 -8.8889 -8.8772 -8.8756 -8.8714 -8.8705 3.7903 3.8109 5.8662 5.9294 6.2094 6.3732 6.7245 6.8970 7.1138 7.1599 7.6474 7.7408 7.8855 8.0634 10.0471 10.1130 10.7761 10.8129 11.9645 12.0196 12.0997 12.0997 12.1928 12.2250 12.8183 12.9069 13.5832 13.6425 15.3741 15.4075 k = 0.4274 0.2468 0.4412 ( 5155 PWs) bands (ev): -66.1192 -66.1192 -35.9103 -35.9101 -34.7100 -34.7099 -34.7096 -34.7096 -9.9142 -9.9142 -9.9116 -9.9108 -8.8895 -8.8888 -8.8772 -8.8755 -8.8716 -8.8705 3.8108 3.8330 5.8658 5.9398 6.2011 6.3834 6.7255 6.9109 7.1271 7.1742 7.6338 7.7438 7.9111 8.0916 9.9631 10.0353 10.7624 10.8017 11.9625 12.0205 12.1044 12.1056 12.1896 12.2246 12.7533 12.8331 13.5012 13.5592 15.3615 15.3979 k = 0.4234 0.2444 0.4543 ( 5155 PWs) bands (ev): -66.1192 -66.1192 -35.9103 -35.9101 -34.7100 -34.7099 -34.7096 -34.7096 -9.9143 -9.9142 -9.9116 -9.9107 -8.8895 -8.8888 -8.8772 -8.8753 -8.8717 -8.8705 3.8314 3.8551 5.8654 5.9513 6.1935 6.3952 6.7244 6.9241 7.1415 7.1883 7.6191 7.7466 7.9373 8.1197 9.8800 9.9584 10.7480 10.7897 11.9604 12.0215 12.1069 12.1098 12.1875 12.2245 12.6938 12.7642 13.4195 13.4763 15.3473 15.3865 k = 0.4194 0.2421 0.4675 ( 5152 PWs) bands (ev): -66.1189 -66.1189 -35.9103 -35.9101 -34.7100 -34.7099 -34.7096 -34.7096 -9.9143 -9.9143 -9.9116 -9.9106 -8.8895 -8.8888 -8.8773 -8.8751 -8.8718 -8.8705 3.8518 3.8771 5.8650 5.9638 6.1865 6.4087 6.7215 6.9365 7.1570 7.2023 7.6034 7.7490 7.9638 8.1472 9.7994 9.8838 10.7342 10.7781 11.9552 12.0196 12.1110 12.1153 12.1868 12.2267 12.6433 12.7037 13.3396 13.3952 15.3317 15.3736 k = 0.4153 0.2398 0.4807 ( 5154 PWs) bands (ev): -66.1191 -66.1191 -35.9103 -35.9101 -34.7100 -34.7099 -34.7096 -34.7096 -9.9144 -9.9143 -9.9116 -9.9106 -8.8895 -8.8888 -8.8773 -8.8750 -8.8720 -8.8704 3.8719 3.8987 5.8646 5.9774 6.1800 6.4237 6.7166 6.9482 7.1734 7.2160 7.5864 7.7512 7.9897 8.1729 9.7215 9.8118 10.7215 10.7676 11.9511 12.0187 12.1151 12.1212 12.1827 12.2257 12.5917 12.6415 13.2626 13.3170 15.3148 15.3592 k = 0.4113 0.2375 0.4938 ( 5155 PWs) bands (ev): -66.1192 -66.1192 -35.9103 -35.9101 -34.7100 -34.7099 -34.7097 -34.7096 -9.9144 -9.9143 -9.9116 -9.9105 -8.8895 -8.8888 -8.8773 -8.8748 -8.8721 -8.8704 3.8915 3.9197 5.8640 5.9920 6.1740 6.4401 6.7102 6.9591 7.1907 7.2297 7.5685 7.7532 8.0145 8.1963 9.6489 9.7451 10.7080 10.7561 11.9487 12.0197 12.1163 12.1246 12.1793 12.2250 12.5493 12.5881 13.1859 13.2392 15.2973 15.3444 k = 0.4073 0.2351 0.5070 ( 5159 PWs) bands (ev): -66.1196 -66.1196 -35.9103 -35.9102 -34.7100 -34.7099 -34.7097 -34.7096 -9.9145 -9.9143 -9.9117 -9.9105 -8.8895 -8.8889 -8.8773 -8.8747 -8.8723 -8.8704 3.9103 3.9399 5.8634 6.0074 6.1684 6.4577 6.7025 6.9690 7.2087 7.2432 7.5496 7.7549 8.0372 8.2162 9.5826 9.6847 10.6957 10.7455 11.9420 12.0156 12.1174 12.1273 12.1746 12.2247 12.5120 12.5399 13.1123 13.1645 15.2791 15.3286 k = 0.4032 0.2328 0.5202 ( 5159 PWs) bands (ev): -66.1196 -66.1196 -35.9103 -35.9102 -34.7100 -34.7099 -34.7097 -34.7096 -9.9145 -9.9143 -9.9117 -9.9104 -8.8895 -8.8889 -8.8774 -8.8745 -8.8724 -8.8703 3.9282 3.9591 5.8626 6.0234 6.1630 6.4765 6.6937 6.9776 7.2273 7.2570 7.5299 7.7565 8.0571 8.2316 9.5243 9.6323 10.6842 10.7356 11.9381 12.0147 12.1191 12.1309 12.1713 12.2258 12.4794 12.4956 13.0416 13.0929 15.2604 15.3125 k = 0.3992 0.2305 0.5334 ( 5159 PWs) bands (ev): -66.1196 -66.1196 -35.9103 -35.9102 -34.7100 -34.7099 -34.7097 -34.7096 -9.9145 -9.9143 -9.9117 -9.9104 -8.8895 -8.8889 -8.8774 -8.8743 -8.8725 -8.8703 3.9450 3.9770 5.8616 6.0399 6.1578 6.4959 6.6841 6.9847 7.2465 7.2711 7.5096 7.7580 8.0733 8.2415 9.4754 9.5895 10.6741 10.7268 11.9316 12.0110 12.1225 12.1360 12.1684 12.2283 12.4503 12.4547 12.9746 13.0252 15.2410 15.2957 k = 0.3952 0.2281 0.5465 ( 5161 PWs) bands (ev): -66.1198 -66.1198 -35.9103 -35.9102 -34.7100 -34.7099 -34.7097 -34.7096 -9.9146 -9.9143 -9.9118 -9.9103 -8.8895 -8.8889 -8.8774 -8.8742 -8.8726 -8.8703 3.9604 3.9935 5.8604 6.0565 6.1527 6.5155 6.6742 6.9901 7.2660 7.2858 7.4893 7.7594 8.0851 8.2450 9.4372 9.5575 10.6643 10.7182 11.9240 12.0065 12.1251 12.1405 12.1646 12.2295 12.4193 12.4269 12.9099 12.9600 15.2210 15.2782 k = 0.3911 0.2258 0.5597 ( 5161 PWs) bands (ev): -66.1198 -66.1198 -35.9103 -35.9102 -34.7100 -34.7099 -34.7097 -34.7096 -9.9146 -9.9143 -9.9118 -9.9103 -8.8895 -8.8890 -8.8774 -8.8741 -8.8727 -8.8702 3.9744 4.0083 5.8588 6.0726 6.1474 6.5346 6.6644 6.9933 7.2858 7.3014 7.4694 7.7609 8.0923 8.2422 9.4106 9.5372 10.6543 10.7091 11.9161 12.0020 12.1267 12.1437 12.1633 12.2328 12.3931 12.4113 12.8464 12.8963 15.2009 15.2607 k = 0.3871 0.2235 0.5729 ( 5159 PWs) bands (ev): -66.1196 -66.1196 -35.9103 -35.9102 -34.7100 -34.7098 -34.7097 -34.7096 -9.9146 -9.9143 -9.9119 -9.9103 -8.8895 -8.8890 -8.8774 -8.8740 -8.8728 -8.8702 3.9867 4.0212 5.8569 6.0877 6.1420 6.5524 6.6552 6.9941 7.3058 7.3180 7.4510 7.7624 8.0948 8.2329 9.3960 9.5290 10.6466 10.7019 11.9096 11.9979 12.1290 12.1481 12.1605 12.2336 12.3713 12.3985 12.7888 12.8387 15.1804 15.2429 k = 0.3831 0.2212 0.5860 ( 5162 PWs) bands (ev): -66.1199 -66.1199 -35.9103 -35.9102 -34.7100 -34.7098 -34.7098 -34.7097 -9.9147 -9.9143 -9.9119 -9.9103 -8.8895 -8.8890 -8.8774 -8.8739 -8.8728 -8.8702 3.9970 4.0321 5.8545 6.1007 6.1366 6.5678 6.6474 6.9925 7.3259 7.3357 7.4349 7.7642 8.0929 8.2180 9.3932 9.5326 10.6389 10.6943 11.9013 11.9912 12.1287 12.1490 12.1580 12.2346 12.3549 12.3889 12.7332 12.7835 15.1595 15.2248 k = 0.3790 0.2188 0.5992 ( 5158 PWs) bands (ev): -66.1195 -66.1195 -35.9103 -35.9102 -34.7100 -34.7098 -34.7098 -34.7096 -9.9147 -9.9142 -9.9120 -9.9102 -8.8895 -8.8891 -8.8774 -8.8739 -8.8727 -8.8702 4.0053 4.0406 5.8517 6.1095 6.1326 6.5794 6.6415 6.9887 7.3457 7.3540 7.4230 7.7663 8.0876 8.1987 9.4020 9.5472 10.6337 10.6890 11.8941 11.9855 12.1303 12.1529 12.1572 12.2338 12.3458 12.3837 12.6847 12.7358 15.1380 15.2063 k = 0.3750 0.2165 0.6124 ( 5174 PWs) bands (ev): -66.1210 -66.1210 -35.9103 -35.9102 -34.7101 -34.7099 -34.7098 -34.7097 -9.9147 -9.9142 -9.9120 -9.9102 -8.8895 -8.8891 -8.8774 -8.8740 -8.8727 -8.8702 4.0113 4.0466 5.8483 6.1089 6.1340 6.5859 6.6383 6.9831 7.3649 7.3699 7.4188 7.7688 8.0798 8.1764 9.4210 9.5715 10.6274 10.6821 11.8823 11.9736 12.1241 12.1489 12.1522 12.2280 12.3377 12.3763 12.6364 12.6887 15.1155 15.1868 k = 0.6250-0.0722 0.4082 ( 5174 PWs) bands (ev): -66.1210 -66.1210 -35.9103 -35.9102 -34.7101 -34.7099 -34.7098 -34.7097 -9.9147 -9.9142 -9.9120 -9.9102 -8.8895 -8.8891 -8.8774 -8.8740 -8.8727 -8.8702 4.0113 4.0466 5.8483 6.1089 6.1340 6.5859 6.6383 6.9831 7.3649 7.3699 7.4188 7.7688 8.0798 8.1764 9.4210 9.5715 10.6274 10.6821 11.8823 11.9736 12.1241 12.1489 12.1522 12.2280 12.3377 12.3763 12.6364 12.6887 15.1155 15.1868 k = 0.6181-0.0842 0.4082 ( 5168 PWs) bands (ev): -66.1204 -66.1204 -35.9103 -35.9102 -34.7100 -34.7099 -34.7098 -34.7097 -9.9147 -9.9141 -9.9121 -9.9102 -8.8896 -8.8892 -8.8774 -8.8741 -8.8725 -8.8702 4.0189 4.0539 5.8420 6.0934 6.1463 6.5904 6.6366 6.9711 7.3840 7.3975 7.4330 7.7737 8.0650 8.1375 9.4665 9.6246 10.6216 10.6750 11.8701 11.9615 12.1191 12.1477 12.1561 12.2288 12.3375 12.3759 12.5671 12.6213 15.0759 15.1528 k = 0.6111-0.0962 0.4082 ( 5168 PWs) bands (ev): -66.1204 -66.1204 -35.9103 -35.9102 -34.7100 -34.7099 -34.7098 -34.7097 -9.9147 -9.9141 -9.9122 -9.9102 -8.8896 -8.8893 -8.8774 -8.8742 -8.8723 -8.8702 4.0253 4.0597 5.8357 6.0726 6.1621 6.5924 6.6365 6.9557 7.3877 7.4297 7.4619 7.7788 8.0499 8.0988 9.5200 9.6838 10.6160 10.6683 11.8577 11.9481 12.1099 12.1433 12.1580 12.2267 12.3380 12.3749 12.5010 12.5576 15.0323 15.1147 k = 0.6042-0.1083 0.4082 ( 5166 PWs) bands (ev): -66.1202 -66.1202 -35.9103 -35.9102 -34.7100 -34.7099 -34.7098 -34.7097 -9.9148 -9.9140 -9.9123 -9.9103 -8.8897 -8.8894 -8.8774 -8.8743 -8.8722 -8.8701 4.0305 4.0640 5.8294 6.0499 6.1792 6.5925 6.6372 6.9375 7.3905 7.4613 7.4950 7.7840 8.0345 8.0607 9.5809 9.7486 10.6118 10.6630 11.8458 11.9344 12.0987 12.1368 12.1609 12.2254 12.3403 12.3750 12.4415 12.5005 14.9844 15.0724 k = 0.5972-0.1203 0.4082 ( 5176 PWs) bands (ev): -66.1211 -66.1211 -35.9103 -35.9102 -34.7101 -34.7099 -34.7098 -34.7097 -9.9148 -9.9139 -9.9124 -9.9103 -8.8897 -8.8895 -8.8773 -8.8745 -8.8720 -8.8701 4.0347 4.0672 5.8231 6.0263 6.1970 6.5913 6.6384 6.9167 7.3950 7.4918 7.5283 7.7890 8.0188 8.0233 9.6485 9.8181 10.6071 10.6573 11.8309 11.9165 12.0806 12.1235 12.1603 12.2209 12.3413 12.3731 12.3869 12.4481 14.9315 15.0249 k = 0.5903-0.1323 0.4082 ( 5164 PWs) bands (ev): -66.1200 -66.1200 -35.9103 -35.9102 -34.7100 -34.7099 -34.7097 -34.7096 -9.9148 -9.9139 -9.9125 -9.9103 -8.8898 -8.8896 -8.8773 -8.8746 -8.8718 -8.8701 4.0382 4.0694 5.8170 6.0026 6.2156 6.5893 6.6396 6.8941 7.4017 7.5213 7.5609 7.7937 7.9874 8.0031 9.7220 9.8918 10.6056 10.6549 11.8207 11.9028 12.0659 12.1118 12.1656 12.2224 12.3386 12.3570 12.3759 12.4102 14.8745 14.9730 k = 0.5833-0.1443 0.4082 ( 5156 PWs) bands (ev): -66.1192 -66.1192 -35.9103 -35.9102 -34.7100 -34.7099 -34.7097 -34.7096 -9.9148 -9.9138 -9.9126 -9.9104 -8.8899 -8.8897 -8.8772 -8.8747 -8.8717 -8.8701 4.0409 4.0706 5.8112 5.9793 6.2349 6.5869 6.6406 6.8700 7.4102 7.5495 7.5921 7.7975 7.9532 7.9874 9.8002 9.9684 10.6037 10.6522 11.8116 11.8892 12.0427 12.0902 12.1721 12.2252 12.3083 12.3627 12.3631 12.3937 14.8130 14.9159 k = 0.5764-0.1564 0.4082 ( 5162 PWs) bands (ev): -66.1198 -66.1198 -35.9103 -35.9102 -34.7100 -34.7099 -34.7097 -34.7096 -9.9148 -9.9138 -9.9126 -9.9104 -8.8899 -8.8898 -8.8772 -8.8749 -8.8715 -8.8701 4.0431 4.0711 5.8057 5.9566 6.2548 6.5843 6.6411 6.8447 7.4202 7.5762 7.6216 7.7998 7.9213 7.9718 9.8818 10.0468 10.6016 10.6495 11.8047 11.8769 12.0107 12.0582 12.1736 12.2224 12.2805 12.3335 12.3656 12.3912 14.7463 14.8528 k = 0.5694-0.1684 0.4082 ( 5158 PWs) bands (ev): -66.1194 -66.1194 -35.9103 -35.9102 -34.7100 -34.7099 -34.7097 -34.7096 -9.9148 -9.9138 -9.9126 -9.9105 -8.8900 -8.8899 -8.8771 -8.8750 -8.8714 -8.8701 4.0448 4.0709 5.8007 5.9350 6.2753 6.5817 6.6411 6.8187 7.4316 7.6013 7.6488 7.7991 7.8933 7.9564 9.9656 10.1260 10.6018 10.6496 11.7949 11.8613 11.9838 12.0290 12.1787 12.2243 12.2637 12.3115 12.3717 12.3939 14.6761 14.7847 k = 0.5625-0.1804 0.4082 ( 5154 PWs) bands (ev): -66.1190 -66.1190 -35.9103 -35.9102 -34.7100 -34.7099 -34.7097 -34.7096 -9.9148 -9.9138 -9.9126 -9.9106 -8.8901 -8.8900 -8.8771 -8.8751 -8.8713 -8.8701 4.0462 4.0702 5.7963 5.9146 6.2965 6.5793 6.6407 6.7924 7.4442 7.6249 7.6739 7.7929 7.8716 7.9412 10.0499 10.2043 10.6030 10.6507 11.7862 11.8462 11.9568 11.9992 12.1843 12.2267 12.2525 12.2939 12.3763 12.3958 14.6032 14.7123 k = 0.5556-0.1925 0.4082 ( 5162 PWs) bands (ev): -66.1197 -66.1197 -35.9103 -35.9102 -34.7100 -34.7099 -34.7097 -34.7096 -9.9147 -9.9139 -9.9125 -9.9107 -8.8901 -8.8900 -8.8770 -8.8753 -8.8711 -8.8701 4.0473 4.0691 5.7925 5.8955 6.3182 6.5770 6.6396 6.7659 7.4577 7.6470 7.6966 7.7789 7.8582 7.9263 10.1331 10.2799 10.6044 10.6522 11.7764 11.8287 11.9232 11.9634 12.1852 12.2246 12.2439 12.2790 12.3799 12.3966 14.5295 14.6369 k = 0.5486-0.2045 0.4082 ( 5158 PWs) bands (ev): -66.1194 -66.1194 -35.9103 -35.9102 -34.7100 -34.7099 -34.7097 -34.7096 -9.9147 -9.9139 -9.9124 -9.9108 -8.8902 -8.8901 -8.8769 -8.8754 -8.8710 -8.8701 4.0483 4.0677 5.7895 5.8779 6.3406 6.5747 6.6382 6.7398 7.4721 7.6678 7.7171 7.7585 7.8522 7.9120 10.2131 10.3511 10.6078 10.6556 11.7700 11.8141 11.8948 11.9331 12.1927 12.2283 12.2400 12.2687 12.3849 12.3993 14.4575 14.5606 k = 0.5417-0.2165 0.4082 ( 5150 PWs) bands (ev): -66.1186 -66.1186 -35.9102 -35.9102 -34.7100 -34.7099 -34.7097 -34.7096 -9.9147 -9.9140 -9.9123 -9.9109 -8.8902 -8.8902 -8.8768 -8.8755 -8.8709 -8.8701 4.0493 4.0661 5.7874 5.8618 6.3635 6.5721 6.6365 6.7145 7.4874 7.6872 7.7352 7.7354 7.8498 7.8982 10.2879 10.4148 10.6136 10.6608 11.7661 11.8016 11.8705 11.9073 12.2013 12.2311 12.2389 12.2602 12.3908 12.4029 14.3892 14.4855 k = 0.5347-0.2285 0.4082 ( 5158 PWs) bands (ev): -66.1194 -66.1194 -35.9103 -35.9102 -34.7100 -34.7099 -34.7097 -34.7096 -9.9147 -9.9140 -9.9122 -9.9110 -8.8903 -8.8902 -8.8768 -8.8757 -8.8708 -8.8701 4.0502 4.0644 5.7863 5.8473 6.3867 6.5686 6.6344 6.6907 7.5034 7.7020 7.7137 7.7507 7.8487 7.8849 10.3549 10.4673 10.6234 10.6676 11.7569 11.7840 11.8450 11.8794 12.2040 12.2301 12.2363 12.2528 12.3933 12.4032 14.3273 14.4137 k = 0.5278-0.2406 0.4082 ( 5158 PWs) bands (ev): -66.1194 -66.1194 -35.9103 -35.9102 -34.7100 -34.7099 -34.7097 -34.7096 -9.9146 -9.9141 -9.9121 -9.9111 -8.8903 -8.8903 -8.8767 -8.8758 -8.8707 -8.8702 4.0511 4.0626 5.7863 5.8344 6.4104 6.5632 6.6323 6.6694 7.5202 7.6848 7.7234 7.7633 7.8479 7.8725 10.4121 10.5050 10.6392 10.6764 11.7515 11.7708 11.8262 11.8573 12.2102 12.2302 12.2367 12.2473 12.3966 12.4044 14.2743 14.3480 k = 0.5208-0.2526 0.4082 ( 5158 PWs) bands (ev): -66.1194 -66.1193 -35.9102 -35.9102 -34.7100 -34.7099 -34.7097 -34.7096 -9.9146 -9.9142 -9.9120 -9.9112 -8.8903 -8.8903 -8.8766 -8.8759 -8.8706 -8.8702 4.0521 4.0608 5.7874 5.8231 6.4342 6.5546 6.6303 6.6520 7.5378 7.6614 7.7385 7.7727 7.8469 7.8616 10.4577 10.5266 10.6603 10.6867 11.7464 11.7592 11.8124 11.8382 12.2166 12.2308 12.2374 12.2434 12.3996 12.4054 14.2329 14.2910 k = 0.5139-0.2646 0.4082 ( 5150 PWs) bands (ev): -66.1186 -66.1186 -35.9102 -35.9102 -34.7100 -34.7099 -34.7096 -34.7096 -9.9145 -9.9143 -9.9119 -9.9113 -8.8903 -8.8903 -8.8765 -8.8760 -8.8705 -8.8702 4.0533 4.0591 5.7898 5.8134 6.4581 6.5417 6.6288 6.6397 7.5562 7.6387 7.7526 7.7781 7.8458 7.8529 10.4916 10.5357 10.6813 10.6967 11.7450 11.7523 11.8056 11.8244 12.2240 12.2323 12.2387 12.2409 12.4068 12.4106 14.2052 14.2455 k = 0.5069-0.2766 0.4082 ( 5134 PWs) bands (ev): -66.1171 -66.1171 -35.9102 -35.9102 -34.7099 -34.7099 -34.7096 -34.7096 -9.9145 -9.9143 -9.9117 -9.9115 -8.8904 -8.8904 -8.8764 -8.8762 -8.8704 -8.8703 4.0546 4.0575 5.7935 5.8053 6.4815 6.5245 6.6282 6.6325 7.5756 7.6168 7.7647 7.7786 7.8448 7.8473 10.5150 10.5361 10.6969 10.7036 11.7473 11.7514 11.8120 11.8211 12.2340 12.2352 12.2412 12.2432 12.4096 12.4115 14.1919 14.2125 k = 0.5000-0.2887 0.4082 ( 5138 PWs) bands (ev): -66.1174 -66.1174 -35.9102 -35.9102 -34.7099 -34.7099 -34.7096 -34.7096 -9.9144 -9.9144 -9.9116 -9.9116 -8.8904 -8.8904 -8.8763 -8.8763 -8.8703 -8.8703 4.0560 4.0560 5.7987 5.7987 6.5039 6.5039 6.6290 6.6290 7.5957 7.5957 7.7736 7.7736 7.8449 7.8449 10.5291 10.5291 10.7043 10.7043 11.7471 11.7471 11.8136 11.8136 12.2346 12.2346 12.2391 12.2391 12.4107 12.4107 14.1944 14.1944 Writing output data file MnSnAu.save init_run : 0.97s CPU 0.56s WALL ( 1 calls) electrons : 309.08s CPU 199.65s WALL ( 1 calls) Called by init_run: wfcinit : 0.02s CPU 0.02s WALL ( 1 calls) potinit : 0.12s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 309.07s CPU 199.64s 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 : 0.22s CPU 0.13s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.34s CPU 0.52s WALL ( 334 calls) cegterg : 272.56s CPU 178.20s WALL ( 382 calls) Called by sum_band: Called by *egterg: h_psi : 205.34s CPU 121.99s WALL ( 6170 calls) s_psi : 6.28s CPU 3.98s WALL ( 6170 calls) g_psi : 0.40s CPU 0.28s WALL ( 5454 calls) cdiaghg : 63.03s CPU 48.57s WALL ( 5788 calls) cegterg:over : 10.82s CPU 7.51s WALL ( 5454 calls) cegterg:upda : 8.45s CPU 6.21s WALL ( 5454 calls) cegterg:last : 4.49s CPU 3.47s WALL ( 1247 calls) cdiaghg:chol : 3.47s CPU 2.77s WALL ( 5788 calls) cdiaghg:inve : 2.28s CPU 1.78s WALL ( 5788 calls) cdiaghg:para : 3.56s CPU 2.85s WALL ( 11576 calls) Called by h_psi: h_psi:vloc : 187.36s CPU 110.41s WALL ( 6170 calls) h_psi:vnl : 17.54s CPU 11.31s WALL ( 6170 calls) add_vuspsi : 10.24s CPU 6.46s WALL ( 6170 calls) General routines calbec : 7.26s CPU 4.83s WALL ( 6170 calls) fft : 0.14s CPU 0.07s WALL ( 19 calls) ffts : 0.02s CPU 0.01s WALL ( 4 calls) fftw : 177.15s CPU 103.61s WALL ( 741868 calls) interpolate : 0.03s CPU 0.01s WALL ( 4 calls) davcio : 0.42s CPU 1.08s WALL ( 668 calls) Parallel routines fft_scatter : 63.92s CPU 40.97s WALL ( 741891 calls) PWSCF : 5m27.68s CPU 3m49.62s WALL This run was terminated on: 6:16:22 11Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=