Program PWSCF v.5.4.0 starts on 12Feb2017 at 4: 1:29 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./HfSnPd.save/ file Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D renormalized file Pd.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 5S 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 74 32 9 2521 708 110 Max 75 33 11 2523 731 113 Sum 2677 1159 337 90777 25821 4015 bravais-lattice index = 14 lattice parameter (alat) = 8.4170 a.u. unit-cell volume = 421.6493 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 3 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 59.0000 Ry charge density cutoff = 545.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.416964 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.500000 celldm(5)= 0.500000 celldm(6)= 0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.500000 0.866025 0.000000 ) a(3) = ( 0.500000 0.288675 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.577350 -0.408248 ) b(2) = ( 0.000000 1.154701 -0.408248 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for Hf read from file: /users/gautes/Pseudo/Hf.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: fb4a78a955dff820df95c575f14a6778 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1271 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Sn read from file: /users/gautes/Pseudo/Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 9499e19b89e678f7f9f46ad7de03aa82 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Pd read from file: /users/gautes/Pseudo/Pd.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 7926b04c0aa9b348bf6cb39d90ce6236 Pseudo is Ultrasoft + core correction, Zval = 18.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1235 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Hf 12.00 178.49000 Hf( 1.00) Sn 14.00 118.71000 Sn( 1.00) Pd 18.00 106.42000 Pd( 1.00) 6 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 120 deg rotation - cryst. axis [0,0,1] cryst. s( 2) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 2) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 3) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 3) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 5) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s( 6) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_3v (3m) there are 6 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3s_v -3s_v G_4 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6 1.00 -1.00 -1.00 1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3s_v -3s_v G_4 0.00 0.00 0.00 0.00 0.00 0.00 G_5 0.00 0.00 0.00 0.00 1.00 -1.00 G_6 0.00 0.00 0.00 0.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 2 3 120 deg rotation - cryst. axis [0,0,1] -2C3 -2 -3 120 deg rotation - cryst. axis [0,0,1] E 3s_v 4 5 -6 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 6 -4 -5 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 334 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029940 k( 2) = ( 0.0100000 -0.0057735 0.0081650), wk = 0.0029940 k( 3) = ( 0.0200000 -0.0115470 0.0163299), wk = 0.0029940 k( 4) = ( 0.0300000 -0.0173205 0.0244949), wk = 0.0029940 k( 5) = ( 0.0400000 -0.0230940 0.0326599), wk = 0.0029940 k( 6) = ( 0.0500000 -0.0288675 0.0408248), wk = 0.0029940 k( 7) = ( 0.0600000 -0.0346410 0.0489898), wk = 0.0029940 k( 8) = ( 0.0700000 -0.0404145 0.0571548), wk = 0.0029940 k( 9) = ( 0.0800000 -0.0461880 0.0653197), wk = 0.0029940 k( 10) = ( 0.0900000 -0.0519615 0.0734847), wk = 0.0029940 k( 11) = ( 0.1000000 -0.0577350 0.0816497), wk = 0.0029940 k( 12) = ( 0.1100000 -0.0635085 0.0898146), wk = 0.0029940 k( 13) = ( 0.1200000 -0.0692820 0.0979796), wk = 0.0029940 k( 14) = ( 0.1300000 -0.0750555 0.1061446), wk = 0.0029940 k( 15) = ( 0.1400000 -0.0808290 0.1143095), wk = 0.0029940 k( 16) = ( 0.1500000 -0.0866025 0.1224745), wk = 0.0029940 k( 17) = ( 0.1600000 -0.0923760 0.1306395), wk = 0.0029940 k( 18) = ( 0.1700000 -0.0981495 0.1388044), wk = 0.0029940 k( 19) = ( 0.1800000 -0.1039230 0.1469694), wk = 0.0029940 k( 20) = ( 0.1900000 -0.1096966 0.1551344), wk = 0.0029940 k( 21) = ( 0.2000000 -0.1154701 0.1632993), wk = 0.0029940 k( 22) = ( 0.2100000 -0.1212436 0.1714643), wk = 0.0029940 k( 23) = ( 0.2200000 -0.1270171 0.1796292), wk = 0.0029940 k( 24) = ( 0.2300000 -0.1327906 0.1877942), wk = 0.0029940 k( 25) = ( 0.2400000 -0.1385641 0.1959592), wk = 0.0029940 k( 26) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0029940 k( 27) = ( 0.2600000 -0.1501111 0.2122891), wk = 0.0029940 k( 28) = ( 0.2700000 -0.1558846 0.2204541), wk = 0.0029940 k( 29) = ( 0.2800000 -0.1616581 0.2286190), wk = 0.0029940 k( 30) = ( 0.2900000 -0.1674316 0.2367840), wk = 0.0029940 k( 31) = ( 0.3000000 -0.1732051 0.2449490), wk = 0.0029940 k( 32) = ( 0.3100000 -0.1789786 0.2531139), wk = 0.0029940 k( 33) = ( 0.3200000 -0.1847521 0.2612789), wk = 0.0029940 k( 34) = ( 0.3300000 -0.1905256 0.2694439), wk = 0.0029940 k( 35) = ( 0.3400000 -0.1962991 0.2776088), wk = 0.0029940 k( 36) = ( 0.3500000 -0.2020726 0.2857738), wk = 0.0029940 k( 37) = ( 0.3600000 -0.2078461 0.2939388), wk = 0.0029940 k( 38) = ( 0.3700000 -0.2136196 0.3021037), wk = 0.0029940 k( 39) = ( 0.3800000 -0.2193931 0.3102687), wk = 0.0029940 k( 40) = ( 0.3900000 -0.2251666 0.3184337), wk = 0.0029940 k( 41) = ( 0.4000000 -0.2309401 0.3265986), wk = 0.0029940 k( 42) = ( 0.4100000 -0.2367136 0.3347636), wk = 0.0029940 k( 43) = ( 0.4200000 -0.2424871 0.3429286), wk = 0.0029940 k( 44) = ( 0.4300000 -0.2482606 0.3510935), wk = 0.0029940 k( 45) = ( 0.4400000 -0.2540341 0.3592585), wk = 0.0029940 k( 46) = ( 0.4500000 -0.2598076 0.3674235), wk = 0.0029940 k( 47) = ( 0.4600000 -0.2655811 0.3755884), wk = 0.0029940 k( 48) = ( 0.4700000 -0.2713546 0.3837534), wk = 0.0029940 k( 49) = ( 0.4800000 -0.2771281 0.3919184), wk = 0.0029940 k( 50) = ( 0.4900000 -0.2829016 0.4000833), wk = 0.0029940 k( 51) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0029940 k( 52) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0029940 k( 53) = ( 0.5000000 -0.2771281 0.4164133), wk = 0.0029940 k( 54) = ( 0.5000000 -0.2655811 0.4245782), wk = 0.0029940 k( 55) = ( 0.5000000 -0.2540341 0.4327432), wk = 0.0029940 k( 56) = ( 0.5000000 -0.2424871 0.4409082), wk = 0.0029940 k( 57) = ( 0.5000000 -0.2309401 0.4490731), wk = 0.0029940 k( 58) = ( 0.5000000 -0.2193931 0.4572381), wk = 0.0029940 k( 59) = ( 0.5000000 -0.2078461 0.4654031), wk = 0.0029940 k( 60) = ( 0.5000000 -0.1962991 0.4735680), wk = 0.0029940 k( 61) = ( 0.5000000 -0.1847521 0.4817330), wk = 0.0029940 k( 62) = ( 0.5000000 -0.1732051 0.4898979), wk = 0.0029940 k( 63) = ( 0.5000000 -0.1616581 0.4980629), wk = 0.0029940 k( 64) = ( 0.5000000 -0.1501111 0.5062279), wk = 0.0029940 k( 65) = ( 0.5000000 -0.1385641 0.5143928), wk = 0.0029940 k( 66) = ( 0.5000000 -0.1270171 0.5225578), wk = 0.0029940 k( 67) = ( 0.5000000 -0.1154701 0.5307228), wk = 0.0029940 k( 68) = ( 0.5000000 -0.1039230 0.5388877), wk = 0.0029940 k( 69) = ( 0.5000000 -0.0923760 0.5470527), wk = 0.0029940 k( 70) = ( 0.5000000 -0.0808290 0.5552177), wk = 0.0029940 k( 71) = ( 0.5000000 -0.0692820 0.5633826), wk = 0.0029940 k( 72) = ( 0.5000000 -0.0577350 0.5715476), wk = 0.0029940 k( 73) = ( 0.5000000 -0.0461880 0.5797126), wk = 0.0029940 k( 74) = ( 0.5000000 -0.0346410 0.5878775), wk = 0.0029940 k( 75) = ( 0.5000000 -0.0230940 0.5960425), wk = 0.0029940 k( 76) = ( 0.5000000 -0.0115470 0.6042075), wk = 0.0029940 k( 77) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0029940 k( 78) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0029940 k( 79) = ( 0.4930556 0.0120281 0.6123724), wk = 0.0029940 k( 80) = ( 0.4861111 0.0240563 0.6123724), wk = 0.0029940 k( 81) = ( 0.4791667 0.0360844 0.6123724), wk = 0.0029940 k( 82) = ( 0.4722222 0.0481125 0.6123724), wk = 0.0029940 k( 83) = ( 0.4652778 0.0601406 0.6123724), wk = 0.0029940 k( 84) = ( 0.4583333 0.0721688 0.6123724), wk = 0.0029940 k( 85) = ( 0.4513889 0.0841969 0.6123724), wk = 0.0029940 k( 86) = ( 0.4444444 0.0962251 0.6123724), wk = 0.0029940 k( 87) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0029940 k( 88) = ( 0.4305556 0.1202813 0.6123724), wk = 0.0029940 k( 89) = ( 0.4236111 0.1323094 0.6123724), wk = 0.0029940 k( 90) = ( 0.4166667 0.1443376 0.6123724), wk = 0.0029940 k( 91) = ( 0.4097222 0.1563657 0.6123724), wk = 0.0029940 k( 92) = ( 0.4027778 0.1683938 0.6123724), wk = 0.0029940 k( 93) = ( 0.3958333 0.1804220 0.6123724), wk = 0.0029940 k( 94) = ( 0.3888889 0.1924501 0.6123724), wk = 0.0029940 k( 95) = ( 0.3819444 0.2044782 0.6123724), wk = 0.0029940 k( 96) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0029940 k( 97) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0029940 k( 98) = ( 0.3679245 0.2124213 0.6008182), wk = 0.0029940 k( 99) = ( 0.3608491 0.2083363 0.5892640), wk = 0.0029940 k( 100) = ( 0.3537736 0.2042513 0.5777098), wk = 0.0029940 k( 101) = ( 0.3466981 0.2001662 0.5661557), wk = 0.0029940 k( 102) = ( 0.3396226 0.1960812 0.5546014), wk = 0.0029940 k( 103) = ( 0.3325472 0.1919962 0.5430473), wk = 0.0029940 k( 104) = ( 0.3254717 0.1879112 0.5314931), wk = 0.0029940 k( 105) = ( 0.3183962 0.1838261 0.5199389), wk = 0.0029940 k( 106) = ( 0.3113207 0.1797411 0.5083847), wk = 0.0029940 k( 107) = ( 0.3042453 0.1756561 0.4968305), wk = 0.0029940 k( 108) = ( 0.2971698 0.1715711 0.4852763), wk = 0.0029940 k( 109) = ( 0.2900943 0.1674860 0.4737221), wk = 0.0029940 k( 110) = ( 0.2830189 0.1634010 0.4621679), wk = 0.0029940 k( 111) = ( 0.2759434 0.1593160 0.4506137), wk = 0.0029940 k( 112) = ( 0.2688679 0.1552310 0.4390595), wk = 0.0029940 k( 113) = ( 0.2617925 0.1511459 0.4275053), wk = 0.0029940 k( 114) = ( 0.2547170 0.1470609 0.4159511), wk = 0.0029940 k( 115) = ( 0.2476415 0.1429759 0.4043969), wk = 0.0029940 k( 116) = ( 0.2405660 0.1388909 0.3928427), wk = 0.0029940 k( 117) = ( 0.2334906 0.1348058 0.3812885), wk = 0.0029940 k( 118) = ( 0.2264151 0.1307208 0.3697343), wk = 0.0029940 k( 119) = ( 0.2193396 0.1266358 0.3581801), wk = 0.0029940 k( 120) = ( 0.2122642 0.1225508 0.3466259), wk = 0.0029940 k( 121) = ( 0.2051887 0.1184657 0.3350717), wk = 0.0029940 k( 122) = ( 0.1981132 0.1143807 0.3235175), wk = 0.0029940 k( 123) = ( 0.1910377 0.1102957 0.3119633), wk = 0.0029940 k( 124) = ( 0.1839623 0.1062107 0.3004091), wk = 0.0029940 k( 125) = ( 0.1768868 0.1021256 0.2888549), wk = 0.0029940 k( 126) = ( 0.1698113 0.0980406 0.2773007), wk = 0.0029940 k( 127) = ( 0.1627358 0.0939556 0.2657465), wk = 0.0029940 k( 128) = ( 0.1556604 0.0898706 0.2541923), wk = 0.0029940 k( 129) = ( 0.1485849 0.0857855 0.2426381), wk = 0.0029940 k( 130) = ( 0.1415094 0.0817005 0.2310839), wk = 0.0029940 k( 131) = ( 0.1344340 0.0776155 0.2195297), wk = 0.0029940 k( 132) = ( 0.1273585 0.0735305 0.2079755), wk = 0.0029940 k( 133) = ( 0.1202830 0.0694454 0.1964213), wk = 0.0029940 k( 134) = ( 0.1132076 0.0653604 0.1848671), wk = 0.0029940 k( 135) = ( 0.1061321 0.0612754 0.1733129), wk = 0.0029940 k( 136) = ( 0.0990566 0.0571904 0.1617588), wk = 0.0029940 k( 137) = ( 0.0919811 0.0531053 0.1502046), wk = 0.0029940 k( 138) = ( 0.0849057 0.0490203 0.1386504), wk = 0.0029940 k( 139) = ( 0.0778302 0.0449353 0.1270962), wk = 0.0029940 k( 140) = ( 0.0707547 0.0408503 0.1155420), wk = 0.0029940 k( 141) = ( 0.0636793 0.0367652 0.1039878), wk = 0.0029940 k( 142) = ( 0.0566038 0.0326802 0.0924336), wk = 0.0029940 k( 143) = ( 0.0495283 0.0285952 0.0808794), wk = 0.0029940 k( 144) = ( 0.0424528 0.0245102 0.0693252), wk = 0.0029940 k( 145) = ( 0.0353774 0.0204251 0.0577710), wk = 0.0029940 k( 146) = ( 0.0283019 0.0163401 0.0462168), wk = 0.0029940 k( 147) = ( 0.0212264 0.0122551 0.0346626), wk = 0.0029940 k( 148) = ( 0.0141509 0.0081700 0.0231084), wk = 0.0029940 k( 149) = ( 0.0070755 0.0040850 0.0115542), wk = 0.0029940 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029940 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029940 k( 152) = ( 0.0113636 0.0065608 0.0046392), wk = 0.0029940 k( 153) = ( 0.0227273 0.0131216 0.0092784), wk = 0.0029940 k( 154) = ( 0.0340909 0.0196824 0.0139176), wk = 0.0029940 k( 155) = ( 0.0454546 0.0262432 0.0185567), wk = 0.0029940 k( 156) = ( 0.0568182 0.0328040 0.0231959), wk = 0.0029940 k( 157) = ( 0.0681818 0.0393648 0.0278351), wk = 0.0029940 k( 158) = ( 0.0795455 0.0459256 0.0324743), wk = 0.0029940 k( 159) = ( 0.0909091 0.0524864 0.0371135), wk = 0.0029940 k( 160) = ( 0.1022727 0.0590472 0.0417527), wk = 0.0029940 k( 161) = ( 0.1136364 0.0656080 0.0463918), wk = 0.0029940 k( 162) = ( 0.1250000 0.0721688 0.0510310), wk = 0.0029940 k( 163) = ( 0.1363636 0.0787296 0.0556702), wk = 0.0029940 k( 164) = ( 0.1477273 0.0852904 0.0603094), wk = 0.0029940 k( 165) = ( 0.1590909 0.0918512 0.0649486), wk = 0.0029940 k( 166) = ( 0.1704546 0.0984120 0.0695878), wk = 0.0029940 k( 167) = ( 0.1818182 0.1049728 0.0742270), wk = 0.0029940 k( 168) = ( 0.1931818 0.1115336 0.0788661), wk = 0.0029940 k( 169) = ( 0.2045454 0.1180944 0.0835053), wk = 0.0029940 k( 170) = ( 0.2159091 0.1246552 0.0881445), wk = 0.0029940 k( 171) = ( 0.2272727 0.1312160 0.0927837), wk = 0.0029940 k( 172) = ( 0.2386364 0.1377768 0.0974229), wk = 0.0029940 k( 173) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0029940 k( 174) = ( 0.2613636 0.1508984 0.1067013), wk = 0.0029940 k( 175) = ( 0.2727273 0.1574592 0.1113404), wk = 0.0029940 k( 176) = ( 0.2840909 0.1640200 0.1159796), wk = 0.0029940 k( 177) = ( 0.2954545 0.1705808 0.1206188), wk = 0.0029940 k( 178) = ( 0.3068182 0.1771416 0.1252580), wk = 0.0029940 k( 179) = ( 0.3181818 0.1837024 0.1298972), wk = 0.0029940 k( 180) = ( 0.3295455 0.1902632 0.1345364), wk = 0.0029940 k( 181) = ( 0.3409091 0.1968240 0.1391756), wk = 0.0029940 k( 182) = ( 0.3522727 0.2033848 0.1438147), wk = 0.0029940 k( 183) = ( 0.3636364 0.2099456 0.1484539), wk = 0.0029940 k( 184) = ( 0.3750000 0.2165064 0.1530931), wk = 0.0029940 k( 185) = ( 0.3863636 0.2230672 0.1577323), wk = 0.0029940 k( 186) = ( 0.3977273 0.2296279 0.1623715), wk = 0.0029940 k( 187) = ( 0.4090909 0.2361887 0.1670107), wk = 0.0029940 k( 188) = ( 0.4204545 0.2427495 0.1716499), wk = 0.0029940 k( 189) = ( 0.4318182 0.2493103 0.1762890), wk = 0.0029940 k( 190) = ( 0.4431818 0.2558711 0.1809282), wk = 0.0029940 k( 191) = ( 0.4545455 0.2624319 0.1855674), wk = 0.0029940 k( 192) = ( 0.4659091 0.2689927 0.1902066), wk = 0.0029940 k( 193) = ( 0.4772727 0.2755535 0.1948458), wk = 0.0029940 k( 194) = ( 0.4886364 0.2821143 0.1994850), wk = 0.0029940 k( 195) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0029940 k( 196) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0029940 k( 197) = ( 0.5040323 0.2770350 0.2107088), wk = 0.0029940 k( 198) = ( 0.5080645 0.2653949 0.2172934), wk = 0.0029940 k( 199) = ( 0.5120968 0.2537548 0.2238781), wk = 0.0029940 k( 200) = ( 0.5161290 0.2421146 0.2304627), wk = 0.0029940 k( 201) = ( 0.5201613 0.2304745 0.2370474), wk = 0.0029940 k( 202) = ( 0.5241936 0.2188344 0.2436320), wk = 0.0029940 k( 203) = ( 0.5282258 0.2071943 0.2502167), wk = 0.0029940 k( 204) = ( 0.5322581 0.1955541 0.2568013), wk = 0.0029940 k( 205) = ( 0.5362903 0.1839140 0.2633860), wk = 0.0029940 k( 206) = ( 0.5403226 0.1722739 0.2699706), wk = 0.0029940 k( 207) = ( 0.5443548 0.1606337 0.2765553), wk = 0.0029940 k( 208) = ( 0.5483871 0.1489936 0.2831399), wk = 0.0029940 k( 209) = ( 0.5524193 0.1373535 0.2897246), wk = 0.0029940 k( 210) = ( 0.5564516 0.1257134 0.2963092), wk = 0.0029940 k( 211) = ( 0.5604839 0.1140732 0.3028939), wk = 0.0029940 k( 212) = ( 0.5645161 0.1024331 0.3094785), wk = 0.0029940 k( 213) = ( 0.5685484 0.0907930 0.3160632), wk = 0.0029940 k( 214) = ( 0.5725807 0.0791529 0.3226478), wk = 0.0029940 k( 215) = ( 0.5766129 0.0675127 0.3292325), wk = 0.0029940 k( 216) = ( 0.5806452 0.0558726 0.3358171), wk = 0.0029940 k( 217) = ( 0.5846774 0.0442325 0.3424018), wk = 0.0029940 k( 218) = ( 0.5887097 0.0325924 0.3489864), wk = 0.0029940 k( 219) = ( 0.5927419 0.0209522 0.3555711), wk = 0.0029940 k( 220) = ( 0.5967742 0.0093121 0.3621557), wk = 0.0029940 k( 221) = ( 0.6008064 -0.0023280 0.3687404), wk = 0.0029940 k( 222) = ( 0.6048387 -0.0139682 0.3753250), wk = 0.0029940 k( 223) = ( 0.6088710 -0.0256083 0.3819097), wk = 0.0029940 k( 224) = ( 0.6129032 -0.0372484 0.3884943), wk = 0.0029940 k( 225) = ( 0.6169355 -0.0488885 0.3950790), wk = 0.0029940 k( 226) = ( 0.6209677 -0.0605287 0.4016636), wk = 0.0029940 k( 227) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0029940 k( 228) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0029940 k( 229) = ( 0.6180556 -0.0681594 0.4195885), wk = 0.0029940 k( 230) = ( 0.6111111 -0.0641500 0.4309288), wk = 0.0029940 k( 231) = ( 0.6041667 -0.0601407 0.4422690), wk = 0.0029940 k( 232) = ( 0.5972222 -0.0561313 0.4536092), wk = 0.0029940 k( 233) = ( 0.5902778 -0.0521219 0.4649494), wk = 0.0029940 k( 234) = ( 0.5833333 -0.0481125 0.4762897), wk = 0.0029940 k( 235) = ( 0.5763889 -0.0441031 0.4876299), wk = 0.0029940 k( 236) = ( 0.5694444 -0.0400938 0.4989701), wk = 0.0029940 k( 237) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0029940 k( 238) = ( 0.5555556 -0.0320750 0.5216506), wk = 0.0029940 k( 239) = ( 0.5486111 -0.0280656 0.5329908), wk = 0.0029940 k( 240) = ( 0.5416667 -0.0240563 0.5443310), wk = 0.0029940 k( 241) = ( 0.5347222 -0.0200469 0.5556713), wk = 0.0029940 k( 242) = ( 0.5277778 -0.0160375 0.5670115), wk = 0.0029940 k( 243) = ( 0.5208333 -0.0120281 0.5783518), wk = 0.0029940 k( 244) = ( 0.5138889 -0.0080188 0.5896920), wk = 0.0029940 k( 245) = ( 0.5069444 -0.0040094 0.6010322), wk = 0.0029940 k( 246) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0029940 k( 247) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0029940 k( 248) = ( 0.5000000 0.0080187 0.6010322), wk = 0.0029940 k( 249) = ( 0.5000000 0.0160375 0.5896920), wk = 0.0029940 k( 250) = ( 0.5000000 0.0240563 0.5783518), wk = 0.0029940 k( 251) = ( 0.5000000 0.0320750 0.5670115), wk = 0.0029940 k( 252) = ( 0.5000000 0.0400938 0.5556713), wk = 0.0029940 k( 253) = ( 0.5000000 0.0481125 0.5443310), wk = 0.0029940 k( 254) = ( 0.5000000 0.0561313 0.5329908), wk = 0.0029940 k( 255) = ( 0.5000000 0.0641500 0.5216506), wk = 0.0029940 k( 256) = ( 0.5000000 0.0721688 0.5103104), wk = 0.0029940 k( 257) = ( 0.5000000 0.0801875 0.4989701), wk = 0.0029940 k( 258) = ( 0.5000000 0.0882063 0.4876299), wk = 0.0029940 k( 259) = ( 0.5000000 0.0962250 0.4762897), wk = 0.0029940 k( 260) = ( 0.5000000 0.1042438 0.4649494), wk = 0.0029940 k( 261) = ( 0.5000000 0.1122625 0.4536092), wk = 0.0029940 k( 262) = ( 0.5000000 0.1202813 0.4422690), wk = 0.0029940 k( 263) = ( 0.5000000 0.1283001 0.4309288), wk = 0.0029940 k( 264) = ( 0.5000000 0.1363188 0.4195885), wk = 0.0029940 k( 265) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0029940 k( 266) = ( 0.5000000 0.1523563 0.3969081), wk = 0.0029940 k( 267) = ( 0.5000000 0.1603751 0.3855678), wk = 0.0029940 k( 268) = ( 0.5000000 0.1683938 0.3742276), wk = 0.0029940 k( 269) = ( 0.5000000 0.1764126 0.3628874), wk = 0.0029940 k( 270) = ( 0.5000000 0.1844313 0.3515471), wk = 0.0029940 k( 271) = ( 0.5000000 0.1924501 0.3402069), wk = 0.0029940 k( 272) = ( 0.5000000 0.2004688 0.3288667), wk = 0.0029940 k( 273) = ( 0.5000000 0.2084876 0.3175264), wk = 0.0029940 k( 274) = ( 0.5000000 0.2165064 0.3061862), wk = 0.0029940 k( 275) = ( 0.5000000 0.2245251 0.2948460), wk = 0.0029940 k( 276) = ( 0.5000000 0.2325439 0.2835058), wk = 0.0029940 k( 277) = ( 0.5000000 0.2405626 0.2721655), wk = 0.0029940 k( 278) = ( 0.5000000 0.2485814 0.2608253), wk = 0.0029940 k( 279) = ( 0.5000000 0.2566001 0.2494851), wk = 0.0029940 k( 280) = ( 0.5000000 0.2646189 0.2381448), wk = 0.0029940 k( 281) = ( 0.5000000 0.2726376 0.2268046), wk = 0.0029940 k( 282) = ( 0.5000000 0.2806564 0.2154644), wk = 0.0029940 k( 283) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0029940 k( 284) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0029940 k( 285) = ( 0.4959677 0.2863471 0.2172935), wk = 0.0029940 k( 286) = ( 0.4919355 0.2840191 0.2304627), wk = 0.0029940 k( 287) = ( 0.4879032 0.2816911 0.2436320), wk = 0.0029940 k( 288) = ( 0.4838710 0.2793630 0.2568013), wk = 0.0029940 k( 289) = ( 0.4798387 0.2770350 0.2699706), wk = 0.0029940 k( 290) = ( 0.4758064 0.2747070 0.2831399), wk = 0.0029940 k( 291) = ( 0.4717742 0.2723790 0.2963092), wk = 0.0029940 k( 292) = ( 0.4677419 0.2700509 0.3094785), wk = 0.0029940 k( 293) = ( 0.4637097 0.2677229 0.3226478), wk = 0.0029940 k( 294) = ( 0.4596774 0.2653949 0.3358171), wk = 0.0029940 k( 295) = ( 0.4556452 0.2630669 0.3489864), wk = 0.0029940 k( 296) = ( 0.4516129 0.2607388 0.3621557), wk = 0.0029940 k( 297) = ( 0.4475807 0.2584108 0.3753250), wk = 0.0029940 k( 298) = ( 0.4435484 0.2560828 0.3884943), wk = 0.0029940 k( 299) = ( 0.4395161 0.2537548 0.4016636), wk = 0.0029940 k( 300) = ( 0.4354839 0.2514267 0.4148329), wk = 0.0029940 k( 301) = ( 0.4314516 0.2490987 0.4280022), wk = 0.0029940 k( 302) = ( 0.4274193 0.2467707 0.4411715), wk = 0.0029940 k( 303) = ( 0.4233871 0.2444427 0.4543408), wk = 0.0029940 k( 304) = ( 0.4193548 0.2421146 0.4675101), wk = 0.0029940 k( 305) = ( 0.4153226 0.2397866 0.4806794), wk = 0.0029940 k( 306) = ( 0.4112903 0.2374586 0.4938487), wk = 0.0029940 k( 307) = ( 0.4072581 0.2351306 0.5070180), wk = 0.0029940 k( 308) = ( 0.4032258 0.2328025 0.5201873), wk = 0.0029940 k( 309) = ( 0.3991936 0.2304745 0.5333566), wk = 0.0029940 k( 310) = ( 0.3951613 0.2281465 0.5465259), wk = 0.0029940 k( 311) = ( 0.3911290 0.2258185 0.5596952), wk = 0.0029940 k( 312) = ( 0.3870968 0.2234904 0.5728645), wk = 0.0029940 k( 313) = ( 0.3830645 0.2211624 0.5860338), wk = 0.0029940 k( 314) = ( 0.3790323 0.2188344 0.5992031), wk = 0.0029940 k( 315) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0029940 k( 316) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0029940 k( 317) = ( 0.6180556 -0.0841969 0.4082483), wk = 0.0029940 k( 318) = ( 0.6111111 -0.0962250 0.4082483), wk = 0.0029940 k( 319) = ( 0.6041667 -0.1082532 0.4082483), wk = 0.0029940 k( 320) = ( 0.5972222 -0.1202813 0.4082483), wk = 0.0029940 k( 321) = ( 0.5902778 -0.1323094 0.4082483), wk = 0.0029940 k( 322) = ( 0.5833333 -0.1443376 0.4082483), wk = 0.0029940 k( 323) = ( 0.5763889 -0.1563657 0.4082483), wk = 0.0029940 k( 324) = ( 0.5694444 -0.1683938 0.4082483), wk = 0.0029940 k( 325) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0029940 k( 326) = ( 0.5555556 -0.1924501 0.4082483), wk = 0.0029940 k( 327) = ( 0.5486111 -0.2044782 0.4082483), wk = 0.0029940 k( 328) = ( 0.5416667 -0.2165064 0.4082483), wk = 0.0029940 k( 329) = ( 0.5347222 -0.2285345 0.4082483), wk = 0.0029940 k( 330) = ( 0.5277778 -0.2405626 0.4082483), wk = 0.0029940 k( 331) = ( 0.5208333 -0.2525907 0.4082483), wk = 0.0029940 k( 332) = ( 0.5138889 -0.2646189 0.4082483), wk = 0.0029940 k( 333) = ( 0.5069444 -0.2766470 0.4082483), wk = 0.0029940 k( 334) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0029940 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029940 k( 2) = ( 0.0100000 -0.0000000 0.0100000), wk = 0.0029940 k( 3) = ( 0.0200000 -0.0000000 0.0200000), wk = 0.0029940 k( 4) = ( 0.0300000 -0.0000000 0.0300000), wk = 0.0029940 k( 5) = ( 0.0400000 -0.0000000 0.0400000), wk = 0.0029940 k( 6) = ( 0.0500000 -0.0000000 0.0500000), wk = 0.0029940 k( 7) = ( 0.0600000 -0.0000000 0.0600000), wk = 0.0029940 k( 8) = ( 0.0700000 -0.0000000 0.0700000), wk = 0.0029940 k( 9) = ( 0.0800000 -0.0000000 0.0800000), wk = 0.0029940 k( 10) = ( 0.0900000 -0.0000000 0.0900000), wk = 0.0029940 k( 11) = ( 0.1000000 -0.0000000 0.1000000), wk = 0.0029940 k( 12) = ( 0.1100000 -0.0000000 0.1100000), wk = 0.0029940 k( 13) = ( 0.1200000 -0.0000000 0.1200000), wk = 0.0029940 k( 14) = ( 0.1300000 -0.0000000 0.1300000), wk = 0.0029940 k( 15) = ( 0.1400000 -0.0000000 0.1400000), wk = 0.0029940 k( 16) = ( 0.1500000 -0.0000000 0.1500000), wk = 0.0029940 k( 17) = ( 0.1600000 -0.0000000 0.1600000), wk = 0.0029940 k( 18) = ( 0.1700000 -0.0000000 0.1700000), wk = 0.0029940 k( 19) = ( 0.1800000 -0.0000000 0.1800000), wk = 0.0029940 k( 20) = ( 0.1900000 -0.0000000 0.1900000), wk = 0.0029940 k( 21) = ( 0.2000000 -0.0000000 0.2000000), wk = 0.0029940 k( 22) = ( 0.2100000 -0.0000000 0.2100000), wk = 0.0029940 k( 23) = ( 0.2200000 -0.0000000 0.2200000), wk = 0.0029940 k( 24) = ( 0.2300000 -0.0000000 0.2300000), wk = 0.0029940 k( 25) = ( 0.2400000 -0.0000000 0.2400000), wk = 0.0029940 k( 26) = ( 0.2500000 -0.0000000 0.2500000), wk = 0.0029940 k( 27) = ( 0.2600000 -0.0000000 0.2600000), wk = 0.0029940 k( 28) = ( 0.2700000 -0.0000000 0.2700000), wk = 0.0029940 k( 29) = ( 0.2800000 -0.0000000 0.2800000), wk = 0.0029940 k( 30) = ( 0.2900000 -0.0000000 0.2900000), wk = 0.0029940 k( 31) = ( 0.3000000 -0.0000000 0.3000000), wk = 0.0029940 k( 32) = ( 0.3100000 -0.0000000 0.3100000), wk = 0.0029940 k( 33) = ( 0.3200000 -0.0000000 0.3200000), wk = 0.0029940 k( 34) = ( 0.3300000 -0.0000000 0.3300000), wk = 0.0029940 k( 35) = ( 0.3400000 -0.0000000 0.3400000), wk = 0.0029940 k( 36) = ( 0.3500000 -0.0000000 0.3500000), wk = 0.0029940 k( 37) = ( 0.3600000 -0.0000000 0.3600000), wk = 0.0029940 k( 38) = ( 0.3700000 -0.0000000 0.3700000), wk = 0.0029940 k( 39) = ( 0.3800000 -0.0000000 0.3800000), wk = 0.0029940 k( 40) = ( 0.3900000 -0.0000000 0.3900000), wk = 0.0029940 k( 41) = ( 0.4000000 -0.0000000 0.4000000), wk = 0.0029940 k( 42) = ( 0.4100000 -0.0000000 0.4100000), wk = 0.0029940 k( 43) = ( 0.4200000 -0.0000000 0.4200000), wk = 0.0029940 k( 44) = ( 0.4300000 -0.0000000 0.4300000), wk = 0.0029940 k( 45) = ( 0.4400000 -0.0000000 0.4400000), wk = 0.0029940 k( 46) = ( 0.4500000 -0.0000000 0.4500000), wk = 0.0029940 k( 47) = ( 0.4600000 -0.0000000 0.4600000), wk = 0.0029940 k( 48) = ( 0.4700000 -0.0000000 0.4700000), wk = 0.0029940 k( 49) = ( 0.4800000 -0.0000000 0.4800000), wk = 0.0029940 k( 50) = ( 0.4900000 -0.0000000 0.4900000), wk = 0.0029940 k( 51) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0029940 k( 52) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0029940 k( 53) = ( 0.5000000 0.0100000 0.5100000), wk = 0.0029940 k( 54) = ( 0.5000000 0.0200000 0.5200000), wk = 0.0029940 k( 55) = ( 0.5000000 0.0300000 0.5300000), wk = 0.0029940 k( 56) = ( 0.5000000 0.0400000 0.5400000), wk = 0.0029940 k( 57) = ( 0.5000000 0.0500000 0.5500000), wk = 0.0029940 k( 58) = ( 0.5000000 0.0600000 0.5600000), wk = 0.0029940 k( 59) = ( 0.5000000 0.0700000 0.5700000), wk = 0.0029940 k( 60) = ( 0.5000000 0.0800000 0.5800000), wk = 0.0029940 k( 61) = ( 0.5000000 0.0900000 0.5900000), wk = 0.0029940 k( 62) = ( 0.5000000 0.1000000 0.6000000), wk = 0.0029940 k( 63) = ( 0.5000000 0.1100000 0.6100000), wk = 0.0029940 k( 64) = ( 0.5000000 0.1200000 0.6200000), wk = 0.0029940 k( 65) = ( 0.5000000 0.1300000 0.6300000), wk = 0.0029940 k( 66) = ( 0.5000000 0.1400000 0.6400000), wk = 0.0029940 k( 67) = ( 0.5000000 0.1500000 0.6500000), wk = 0.0029940 k( 68) = ( 0.5000000 0.1600000 0.6600000), wk = 0.0029940 k( 69) = ( 0.5000000 0.1700000 0.6700000), wk = 0.0029940 k( 70) = ( 0.5000000 0.1800000 0.6800000), wk = 0.0029940 k( 71) = ( 0.5000000 0.1900000 0.6900000), wk = 0.0029940 k( 72) = ( 0.5000000 0.2000000 0.7000000), wk = 0.0029940 k( 73) = ( 0.5000000 0.2100000 0.7100000), wk = 0.0029940 k( 74) = ( 0.5000000 0.2200000 0.7200000), wk = 0.0029940 k( 75) = ( 0.5000000 0.2300000 0.7300000), wk = 0.0029940 k( 76) = ( 0.5000000 0.2400000 0.7400000), wk = 0.0029940 k( 77) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0029940 k( 78) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0029940 k( 79) = ( 0.4930556 0.2569444 0.7500000), wk = 0.0029940 k( 80) = ( 0.4861111 0.2638889 0.7500000), wk = 0.0029940 k( 81) = ( 0.4791667 0.2708333 0.7500000), wk = 0.0029940 k( 82) = ( 0.4722222 0.2777778 0.7500000), wk = 0.0029940 k( 83) = ( 0.4652778 0.2847222 0.7500000), wk = 0.0029940 k( 84) = ( 0.4583333 0.2916667 0.7500000), wk = 0.0029940 k( 85) = ( 0.4513889 0.2986111 0.7500000), wk = 0.0029940 k( 86) = ( 0.4444444 0.3055556 0.7500000), wk = 0.0029940 k( 87) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0029940 k( 88) = ( 0.4305556 0.3194444 0.7500000), wk = 0.0029940 k( 89) = ( 0.4236111 0.3263889 0.7500000), wk = 0.0029940 k( 90) = ( 0.4166667 0.3333333 0.7500000), wk = 0.0029940 k( 91) = ( 0.4097222 0.3402778 0.7500000), wk = 0.0029940 k( 92) = ( 0.4027778 0.3472222 0.7500000), wk = 0.0029940 k( 93) = ( 0.3958333 0.3541667 0.7500000), wk = 0.0029940 k( 94) = ( 0.3888889 0.3611111 0.7500000), wk = 0.0029940 k( 95) = ( 0.3819444 0.3680556 0.7500000), wk = 0.0029940 k( 96) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0029940 k( 97) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0029940 k( 98) = ( 0.3679245 0.3679245 0.7358491), wk = 0.0029940 k( 99) = ( 0.3608491 0.3608491 0.7216981), wk = 0.0029940 k( 100) = ( 0.3537736 0.3537736 0.7075472), wk = 0.0029940 k( 101) = ( 0.3466981 0.3466981 0.6933962), wk = 0.0029940 k( 102) = ( 0.3396226 0.3396226 0.6792453), wk = 0.0029940 k( 103) = ( 0.3325472 0.3325472 0.6650943), wk = 0.0029940 k( 104) = ( 0.3254717 0.3254717 0.6509434), wk = 0.0029940 k( 105) = ( 0.3183962 0.3183962 0.6367924), wk = 0.0029940 k( 106) = ( 0.3113207 0.3113207 0.6226415), wk = 0.0029940 k( 107) = ( 0.3042453 0.3042453 0.6084906), wk = 0.0029940 k( 108) = ( 0.2971698 0.2971698 0.5943396), wk = 0.0029940 k( 109) = ( 0.2900943 0.2900943 0.5801887), wk = 0.0029940 k( 110) = ( 0.2830189 0.2830189 0.5660377), wk = 0.0029940 k( 111) = ( 0.2759434 0.2759434 0.5518868), wk = 0.0029940 k( 112) = ( 0.2688679 0.2688679 0.5377359), wk = 0.0029940 k( 113) = ( 0.2617925 0.2617925 0.5235849), wk = 0.0029940 k( 114) = ( 0.2547170 0.2547170 0.5094340), wk = 0.0029940 k( 115) = ( 0.2476415 0.2476415 0.4952830), wk = 0.0029940 k( 116) = ( 0.2405660 0.2405660 0.4811321), wk = 0.0029940 k( 117) = ( 0.2334906 0.2334906 0.4669811), wk = 0.0029940 k( 118) = ( 0.2264151 0.2264151 0.4528302), wk = 0.0029940 k( 119) = ( 0.2193396 0.2193396 0.4386793), wk = 0.0029940 k( 120) = ( 0.2122642 0.2122642 0.4245283), wk = 0.0029940 k( 121) = ( 0.2051887 0.2051887 0.4103774), wk = 0.0029940 k( 122) = ( 0.1981132 0.1981132 0.3962264), wk = 0.0029940 k( 123) = ( 0.1910377 0.1910377 0.3820755), wk = 0.0029940 k( 124) = ( 0.1839623 0.1839623 0.3679245), wk = 0.0029940 k( 125) = ( 0.1768868 0.1768868 0.3537736), wk = 0.0029940 k( 126) = ( 0.1698113 0.1698113 0.3396226), wk = 0.0029940 k( 127) = ( 0.1627358 0.1627358 0.3254717), wk = 0.0029940 k( 128) = ( 0.1556604 0.1556604 0.3113207), wk = 0.0029940 k( 129) = ( 0.1485849 0.1485849 0.2971698), wk = 0.0029940 k( 130) = ( 0.1415094 0.1415094 0.2830189), wk = 0.0029940 k( 131) = ( 0.1344340 0.1344340 0.2688679), wk = 0.0029940 k( 132) = ( 0.1273585 0.1273585 0.2547170), wk = 0.0029940 k( 133) = ( 0.1202830 0.1202830 0.2405660), wk = 0.0029940 k( 134) = ( 0.1132076 0.1132075 0.2264151), wk = 0.0029940 k( 135) = ( 0.1061321 0.1061321 0.2122642), wk = 0.0029940 k( 136) = ( 0.0990566 0.0990566 0.1981132), wk = 0.0029940 k( 137) = ( 0.0919811 0.0919811 0.1839623), wk = 0.0029940 k( 138) = ( 0.0849057 0.0849057 0.1698113), wk = 0.0029940 k( 139) = ( 0.0778302 0.0778302 0.1556604), wk = 0.0029940 k( 140) = ( 0.0707547 0.0707547 0.1415094), wk = 0.0029940 k( 141) = ( 0.0636793 0.0636793 0.1273585), wk = 0.0029940 k( 142) = ( 0.0566038 0.0566038 0.1132076), wk = 0.0029940 k( 143) = ( 0.0495283 0.0495283 0.0990566), wk = 0.0029940 k( 144) = ( 0.0424528 0.0424528 0.0849057), wk = 0.0029940 k( 145) = ( 0.0353774 0.0353774 0.0707547), wk = 0.0029940 k( 146) = ( 0.0283019 0.0283019 0.0566038), wk = 0.0029940 k( 147) = ( 0.0212264 0.0212264 0.0424528), wk = 0.0029940 k( 148) = ( 0.0141509 0.0141509 0.0283019), wk = 0.0029940 k( 149) = ( 0.0070755 0.0070755 0.0141509), wk = 0.0029940 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029940 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029940 k( 152) = ( 0.0113636 0.0113636 0.0113636), wk = 0.0029940 k( 153) = ( 0.0227273 0.0227273 0.0227273), wk = 0.0029940 k( 154) = ( 0.0340909 0.0340909 0.0340909), wk = 0.0029940 k( 155) = ( 0.0454546 0.0454546 0.0454546), wk = 0.0029940 k( 156) = ( 0.0568182 0.0568182 0.0568182), wk = 0.0029940 k( 157) = ( 0.0681818 0.0681818 0.0681818), wk = 0.0029940 k( 158) = ( 0.0795455 0.0795455 0.0795455), wk = 0.0029940 k( 159) = ( 0.0909091 0.0909091 0.0909091), wk = 0.0029940 k( 160) = ( 0.1022727 0.1022727 0.1022727), wk = 0.0029940 k( 161) = ( 0.1136364 0.1136364 0.1136364), wk = 0.0029940 k( 162) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0029940 k( 163) = ( 0.1363636 0.1363636 0.1363636), wk = 0.0029940 k( 164) = ( 0.1477273 0.1477273 0.1477273), wk = 0.0029940 k( 165) = ( 0.1590909 0.1590909 0.1590909), wk = 0.0029940 k( 166) = ( 0.1704546 0.1704546 0.1704545), 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 0.4545455), wk = 0.0029940 k( 192) = ( 0.4659091 0.4659091 0.4659091), wk = 0.0029940 k( 193) = ( 0.4772727 0.4772727 0.4772727), wk = 0.0029940 k( 194) = ( 0.4886364 0.4886364 0.4886364), wk = 0.0029940 k( 195) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029940 k( 196) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029940 k( 197) = ( 0.5040323 0.4919355 0.5040323), wk = 0.0029940 k( 198) = ( 0.5080645 0.4838710 0.5080645), wk = 0.0029940 k( 199) = ( 0.5120968 0.4758065 0.5120968), wk = 0.0029940 k( 200) = ( 0.5161290 0.4677419 0.5161290), wk = 0.0029940 k( 201) = ( 0.5201613 0.4596774 0.5201613), wk = 0.0029940 k( 202) = ( 0.5241936 0.4516129 0.5241936), wk = 0.0029940 k( 203) = ( 0.5282258 0.4435484 0.5282258), wk = 0.0029940 k( 204) = ( 0.5322581 0.4354839 0.5322581), wk = 0.0029940 k( 205) = ( 0.5362903 0.4274193 0.5362903), wk = 0.0029940 k( 206) = ( 0.5403226 0.4193548 0.5403226), wk = 0.0029940 k( 207) = ( 0.5443548 0.4112903 0.5443548), wk = 0.0029940 k( 208) = ( 0.5483871 0.4032258 0.5483871), wk = 0.0029940 k( 209) = ( 0.5524193 0.3951613 0.5524193), wk = 0.0029940 k( 210) = ( 0.5564516 0.3870968 0.5564516), wk = 0.0029940 k( 211) = ( 0.5604839 0.3790323 0.5604839), wk = 0.0029940 k( 212) = ( 0.5645161 0.3709677 0.5645161), wk = 0.0029940 k( 213) = ( 0.5685484 0.3629032 0.5685484), wk = 0.0029940 k( 214) = ( 0.5725807 0.3548387 0.5725807), 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 0.3225807 0.5887097), wk = 0.0029940 k( 219) = ( 0.5927419 0.3145161 0.5927419), wk = 0.0029940 k( 220) = ( 0.5967742 0.3064516 0.5967742), wk = 0.0029940 k( 221) = ( 0.6008064 0.2983871 0.6008064), wk = 0.0029940 k( 222) = ( 0.6048387 0.2903226 0.6048387), wk = 0.0029940 k( 223) = ( 0.6088710 0.2822581 0.6088710), wk = 0.0029940 k( 224) = ( 0.6129032 0.2741936 0.6129032), wk = 0.0029940 k( 225) = ( 0.6169355 0.2661290 0.6169355), wk = 0.0029940 k( 226) = ( 0.6209677 0.2580645 0.6209677), wk = 0.0029940 k( 227) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0029940 k( 228) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0029940 k( 229) = ( 0.6180556 0.2500000 0.6319444), wk = 0.0029940 k( 230) = ( 0.6111111 0.2500000 0.6388889), wk = 0.0029940 k( 231) = ( 0.6041667 0.2500000 0.6458333), wk = 0.0029940 k( 232) = ( 0.5972222 0.2500000 0.6527778), wk = 0.0029940 k( 233) = ( 0.5902778 0.2500000 0.6597222), wk = 0.0029940 k( 234) = ( 0.5833333 0.2500000 0.6666667), wk = 0.0029940 k( 235) = ( 0.5763889 0.2500000 0.6736111), wk = 0.0029940 k( 236) = ( 0.5694444 0.2500000 0.6805556), wk = 0.0029940 k( 237) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0029940 k( 238) = ( 0.5555556 0.2500000 0.6944444), wk = 0.0029940 k( 239) = ( 0.5486111 0.2500000 0.7013889), wk = 0.0029940 k( 240) = ( 0.5416667 0.2500000 0.7083333), wk = 0.0029940 k( 241) = ( 0.5347222 0.2500000 0.7152778), wk = 0.0029940 k( 242) = ( 0.5277778 0.2500000 0.7222222), wk = 0.0029940 k( 243) = ( 0.5208333 0.2500000 0.7291667), wk = 0.0029940 k( 244) = ( 0.5138889 0.2500000 0.7361111), wk = 0.0029940 k( 245) = ( 0.5069444 0.2500000 0.7430556), wk = 0.0029940 k( 246) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0029940 k( 247) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0029940 k( 248) = ( 0.5000000 0.2569444 0.7430556), wk = 0.0029940 k( 249) = ( 0.5000000 0.2638889 0.7361111), wk = 0.0029940 k( 250) = ( 0.5000000 0.2708333 0.7291667), wk = 0.0029940 k( 251) = ( 0.5000000 0.2777778 0.7222222), wk = 0.0029940 k( 252) = ( 0.5000000 0.2847222 0.7152778), wk = 0.0029940 k( 253) = ( 0.5000000 0.2916667 0.7083333), wk = 0.0029940 k( 254) = ( 0.5000000 0.2986111 0.7013889), wk = 0.0029940 k( 255) = ( 0.5000000 0.3055556 0.6944444), wk = 0.0029940 k( 256) = ( 0.5000000 0.3125000 0.6875000), wk = 0.0029940 k( 257) = ( 0.5000000 0.3194444 0.6805556), wk = 0.0029940 k( 258) = ( 0.5000000 0.3263889 0.6736111), wk = 0.0029940 k( 259) = ( 0.5000000 0.3333333 0.6666667), wk = 0.0029940 k( 260) = ( 0.5000000 0.3402778 0.6597222), wk = 0.0029940 k( 261) = ( 0.5000000 0.3472222 0.6527778), wk = 0.0029940 k( 262) = ( 0.5000000 0.3541667 0.6458333), wk = 0.0029940 k( 263) = ( 0.5000000 0.3611111 0.6388889), wk = 0.0029940 k( 264) = ( 0.5000000 0.3680556 0.6319444), wk = 0.0029940 k( 265) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0029940 k( 266) = ( 0.5000000 0.3819444 0.6180556), wk = 0.0029940 k( 267) = ( 0.5000000 0.3888889 0.6111111), wk = 0.0029940 k( 268) = ( 0.5000000 0.3958333 0.6041667), wk = 0.0029940 k( 269) = ( 0.5000000 0.4027778 0.5972222), wk = 0.0029940 k( 270) = ( 0.5000000 0.4097222 0.5902778), wk = 0.0029940 k( 271) = ( 0.5000000 0.4166667 0.5833333), wk = 0.0029940 k( 272) = ( 0.5000000 0.4236111 0.5763889), wk = 0.0029940 k( 273) = ( 0.5000000 0.4305556 0.5694444), wk = 0.0029940 k( 274) = ( 0.5000000 0.4375000 0.5625000), wk = 0.0029940 k( 275) = ( 0.5000000 0.4444444 0.5555556), wk = 0.0029940 k( 276) = ( 0.5000000 0.4513889 0.5486111), wk = 0.0029940 k( 277) = ( 0.5000000 0.4583333 0.5416667), wk = 0.0029940 k( 278) = ( 0.5000000 0.4652778 0.5347222), wk = 0.0029940 k( 279) = ( 0.5000000 0.4722222 0.5277778), wk = 0.0029940 k( 280) = ( 0.5000000 0.4791667 0.5208333), wk = 0.0029940 k( 281) = ( 0.5000000 0.4861111 0.5138889), wk = 0.0029940 k( 282) = ( 0.5000000 0.4930556 0.5069444), wk = 0.0029940 k( 283) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029940 k( 284) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029940 k( 285) = ( 0.4959677 0.4959677 0.5080645), wk = 0.0029940 k( 286) = ( 0.4919355 0.4919355 0.5161290), wk = 0.0029940 k( 287) = ( 0.4879032 0.4879032 0.5241936), wk = 0.0029940 k( 288) = ( 0.4838710 0.4838710 0.5322581), wk = 0.0029940 k( 289) = ( 0.4798387 0.4798387 0.5403226), wk = 0.0029940 k( 290) = ( 0.4758064 0.4758064 0.5483871), wk = 0.0029940 k( 291) = ( 0.4717742 0.4717742 0.5564516), wk = 0.0029940 k( 292) = ( 0.4677419 0.4677419 0.5645161), wk = 0.0029940 k( 293) = ( 0.4637097 0.4637097 0.5725807), wk = 0.0029940 k( 294) = ( 0.4596774 0.4596774 0.5806452), wk = 0.0029940 k( 295) = ( 0.4556452 0.4556452 0.5887097), wk = 0.0029940 k( 296) = ( 0.4516129 0.4516129 0.5967742), wk = 0.0029940 k( 297) = ( 0.4475807 0.4475807 0.6048387), wk = 0.0029940 k( 298) = ( 0.4435484 0.4435484 0.6129032), wk = 0.0029940 k( 299) = ( 0.4395161 0.4395161 0.6209677), wk = 0.0029940 k( 300) = ( 0.4354839 0.4354839 0.6290323), wk = 0.0029940 k( 301) = ( 0.4314516 0.4314516 0.6370968), wk = 0.0029940 k( 302) = ( 0.4274193 0.4274193 0.6451613), wk = 0.0029940 k( 303) = ( 0.4233871 0.4233871 0.6532258), wk = 0.0029940 k( 304) = ( 0.4193548 0.4193548 0.6612903), wk = 0.0029940 k( 305) = ( 0.4153226 0.4153226 0.6693548), wk = 0.0029940 k( 306) = ( 0.4112903 0.4112903 0.6774193), wk = 0.0029940 k( 307) = ( 0.4072581 0.4072581 0.6854839), wk = 0.0029940 k( 308) = ( 0.4032258 0.4032258 0.6935484), wk = 0.0029940 k( 309) = ( 0.3991936 0.3991936 0.7016129), wk = 0.0029940 k( 310) = ( 0.3951613 0.3951613 0.7096774), wk = 0.0029940 k( 311) = ( 0.3911290 0.3911290 0.7177419), wk = 0.0029940 k( 312) = ( 0.3870968 0.3870968 0.7258064), wk = 0.0029940 k( 313) = ( 0.3830645 0.3830645 0.7338710), wk = 0.0029940 k( 314) = ( 0.3790323 0.3790323 0.7419355), wk = 0.0029940 k( 315) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0029940 k( 316) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0029940 k( 317) = ( 0.6180556 0.2361111 0.6180556), wk = 0.0029940 k( 318) = ( 0.6111111 0.2222222 0.6111111), wk = 0.0029940 k( 319) = ( 0.6041667 0.2083333 0.6041667), wk = 0.0029940 k( 320) = ( 0.5972222 0.1944444 0.5972222), wk = 0.0029940 k( 321) = ( 0.5902778 0.1805556 0.5902778), wk = 0.0029940 k( 322) = ( 0.5833333 0.1666667 0.5833333), wk = 0.0029940 k( 323) = ( 0.5763889 0.1527778 0.5763889), wk = 0.0029940 k( 324) = ( 0.5694444 0.1388889 0.5694444), wk = 0.0029940 k( 325) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0029940 k( 326) = ( 0.5555556 0.1111111 0.5555556), wk = 0.0029940 k( 327) = ( 0.5486111 0.0972222 0.5486111), wk = 0.0029940 k( 328) = ( 0.5416667 0.0833333 0.5416667), wk = 0.0029940 k( 329) = ( 0.5347222 0.0694444 0.5347222), wk = 0.0029940 k( 330) = ( 0.5277778 0.0555556 0.5277778), wk = 0.0029940 k( 331) = ( 0.5208333 0.0416667 0.5208333), wk = 0.0029940 k( 332) = ( 0.5138889 0.0277778 0.5138889), wk = 0.0029940 k( 333) = ( 0.5069444 0.0138889 0.5069444), wk = 0.0029940 k( 334) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0029940 Dense grid: 90777 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 25821 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.15 Mb ( 188, 52) NL pseudopotentials 0.15 Mb ( 94, 102) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.02 Mb ( 2522) G-vector shells 0.00 Mb ( 598) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.60 Mb ( 188, 208) Each subspace H/S matrix 0.04 Mb ( 52, 52) Each matrix 0.16 Mb ( 102, 2, 52) The potential is recalculated from file : ./HfSnPd.save/charge-density.dat Starting wfc are 58 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.8 secs Computing kpt #: 2 total cpu time spent up to now is 4.4 secs Computing kpt #: 3 total cpu time spent up to now is 4.9 secs Computing kpt #: 4 total cpu time spent up to now is 5.4 secs Computing kpt #: 5 total cpu time spent up to now is 5.8 secs Computing kpt #: 6 total cpu time spent up to now is 6.3 secs Computing kpt #: 7 total cpu time spent up to now is 6.8 secs Computing kpt #: 8 total cpu time spent up to now is 7.3 secs Computing kpt #: 9 total cpu time spent up to now is 7.8 secs Computing kpt #: 10 total cpu time spent up to now is 8.3 secs Computing kpt #: 11 total cpu time spent up to now is 8.8 secs Computing kpt #: 12 total cpu time spent up to now is 9.3 secs Computing kpt #: 13 total cpu time spent up to now is 9.8 secs Computing kpt #: 14 total cpu time spent up to now is 10.3 secs Computing kpt #: 15 total cpu time spent up to now is 10.9 secs Computing kpt #: 16 total cpu time spent up to now is 11.4 secs Computing kpt #: 17 total cpu time spent up to now is 11.9 secs Computing kpt #: 18 total cpu time spent up to now is 12.5 secs Computing kpt #: 19 total cpu time spent up to now is 12.9 secs Computing kpt #: 20 total cpu time spent up to now is 13.5 secs Computing kpt #: 21 total cpu time spent up to now is 14.1 secs Computing kpt #: 22 total cpu time spent up to now is 14.6 secs Computing kpt #: 23 total cpu time spent up to now is 15.1 secs Computing kpt #: 24 total cpu time spent up to now is 15.7 secs Computing kpt #: 25 total cpu time spent up to now is 16.2 secs Computing kpt #: 26 total cpu time spent up to now is 16.7 secs Computing kpt #: 27 total cpu time spent up to now is 17.3 secs Computing kpt #: 28 total cpu time spent up to now is 17.9 secs Computing kpt #: 29 total cpu time spent up to now is 18.4 secs Computing kpt #: 30 total cpu time spent up to now is 18.9 secs Computing kpt #: 31 total cpu time spent up to now is 19.4 secs Computing kpt #: 32 total cpu time spent up to now is 20.0 secs Computing kpt #: 33 total cpu time spent up to now is 20.5 secs Computing kpt #: 34 total cpu time spent up to now is 21.1 secs Computing kpt #: 35 total cpu time spent up to now is 21.6 secs Computing kpt #: 36 total cpu time spent up to now is 22.2 secs Computing kpt #: 37 total cpu time spent up to now is 22.7 secs Computing kpt #: 38 total cpu time spent up to now is 23.6 secs Computing kpt #: 39 total cpu time spent up to now is 24.1 secs Computing kpt #: 40 total cpu time spent up to now is 24.7 secs Computing kpt #: 41 total cpu time spent up to now is 25.2 secs Computing kpt #: 42 total cpu time spent up to now is 25.7 secs Computing kpt #: 43 total cpu time spent up to now is 26.3 secs Computing kpt #: 44 total cpu time spent up to now is 26.8 secs Computing kpt #: 45 total cpu time spent up to now is 27.3 secs Computing kpt #: 46 total cpu time spent up to now is 27.8 secs Computing kpt #: 47 total cpu time spent up to now is 28.3 secs Computing kpt #: 48 total cpu time spent up to now is 28.9 secs Computing kpt #: 49 total cpu time spent up to now is 29.4 secs Computing kpt #: 50 total cpu time spent up to now is 29.9 secs Computing kpt #: 51 total cpu time spent up to now is 30.4 secs Computing kpt #: 52 total cpu time spent up to now is 31.0 secs Computing kpt #: 53 total cpu time spent up to now is 31.5 secs Computing kpt #: 54 total cpu time spent up to now is 32.0 secs Computing kpt #: 55 total cpu time spent up to now is 32.5 secs Computing kpt #: 56 total cpu time spent up to now is 33.1 secs Computing kpt #: 57 total cpu time spent up to now is 33.6 secs Computing kpt #: 58 total cpu time spent up to now is 34.1 secs Computing kpt #: 59 total cpu time spent up to now is 34.7 secs Computing kpt #: 60 total cpu time spent up to now is 35.3 secs Computing kpt #: 61 total cpu time spent up to now is 35.9 secs Computing kpt #: 62 total cpu time spent up to now is 36.4 secs Computing kpt #: 63 total cpu time spent up to now is 37.0 secs Computing kpt #: 64 total cpu time spent up to now is 37.5 secs Computing kpt #: 65 total cpu time spent up to now is 38.0 secs Computing kpt #: 66 total cpu time spent up to now is 38.6 secs Computing kpt #: 67 total cpu time spent up to now is 39.1 secs Computing kpt #: 68 total cpu time spent up to now is 39.6 secs Computing kpt #: 69 total cpu time spent up to now is 40.2 secs Computing kpt #: 70 total cpu time spent up to now is 40.7 secs Computing kpt #: 71 total cpu time spent up to now is 41.3 secs Computing kpt #: 72 total cpu time spent up to now is 41.8 secs Computing kpt #: 73 total cpu time spent up to now is 42.3 secs Computing kpt #: 74 total cpu time spent up to now is 42.8 secs Computing kpt #: 75 total cpu time spent up to now is 43.4 secs Computing kpt #: 76 total cpu time spent up to now is 43.9 secs Computing kpt #: 77 total cpu time spent up to now is 44.4 secs Computing kpt #: 78 total cpu time spent up to now is 44.9 secs Computing kpt #: 79 total cpu time spent up to now is 45.5 secs Computing kpt #: 80 total cpu time spent up to now is 46.0 secs Computing kpt #: 81 total cpu time spent up to now is 46.5 secs Computing kpt #: 82 total cpu time spent up to now is 47.1 secs Computing kpt #: 83 total cpu time spent up to now is 47.6 secs Computing kpt #: 84 total cpu time spent up to now is 48.1 secs Computing kpt #: 85 total cpu time spent up to now is 48.7 secs Computing kpt #: 86 total cpu time spent up to now is 49.3 secs Computing kpt #: 87 total cpu time spent up to now is 49.9 secs Computing kpt #: 88 total cpu time spent up to now is 50.4 secs Computing kpt #: 89 total cpu time spent up to now is 51.0 secs Computing kpt #: 90 total cpu time spent up to now is 51.6 secs Computing kpt #: 91 total cpu time spent up to now is 52.1 secs Computing kpt #: 92 total cpu time spent up to now is 52.7 secs Computing kpt #: 93 total cpu time spent up to now is 53.2 secs Computing kpt #: 94 total cpu time spent up to now is 53.8 secs Computing kpt #: 95 total cpu time spent up to now is 54.3 secs Computing kpt #: 96 total cpu time spent up to now is 54.9 secs Computing kpt #: 97 total cpu time spent up to now is 55.5 secs Computing kpt #: 98 total cpu time spent up to now is 56.1 secs Computing kpt #: 99 total cpu time spent up to now is 56.6 secs Computing kpt #: 100 total cpu time spent up to now is 57.2 secs Computing kpt #: 101 total cpu time spent up to now is 57.7 secs Computing kpt #: 102 total cpu time spent up to now is 58.2 secs Computing kpt #: 103 total cpu time spent up to now is 58.7 secs Computing kpt #: 104 total cpu time spent up to now is 59.3 secs Computing kpt #: 105 total cpu time spent up to now is 59.8 secs Computing kpt #: 106 total cpu time spent up to now is 60.3 secs Computing kpt #: 107 total cpu time spent up to now is 60.8 secs Computing kpt #: 108 total cpu time spent up to now is 61.3 secs Computing kpt #: 109 total cpu time spent up to now is 61.8 secs Computing kpt #: 110 total cpu time spent up to now is 62.3 secs Computing kpt #: 111 total cpu time spent up to now is 62.9 secs Computing kpt #: 112 total cpu time spent up to now is 63.4 secs Computing kpt #: 113 total cpu time spent up to now is 63.9 secs Computing kpt #: 114 total cpu time spent up to now is 64.4 secs Computing kpt #: 115 total cpu time spent up to now is 64.9 secs Computing kpt #: 116 total cpu time spent up to now is 65.4 secs Computing kpt #: 117 total cpu time spent up to now is 65.9 secs Computing kpt #: 118 total cpu time spent up to now is 66.4 secs Computing kpt #: 119 total cpu time spent up to now is 66.9 secs Computing kpt #: 120 total cpu time spent up to now is 67.5 secs Computing kpt #: 121 total cpu time spent up to now is 67.9 secs Computing kpt #: 122 total cpu time spent up to now is 68.5 secs Computing kpt #: 123 total cpu time spent up to now is 69.0 secs Computing kpt #: 124 total cpu time spent up to now is 69.4 secs Computing kpt #: 125 total cpu time spent up to now is 69.9 secs Computing kpt #: 126 total cpu time spent up to now is 70.4 secs Computing kpt #: 127 total cpu time spent up to now is 70.9 secs Computing kpt #: 128 total cpu time spent up to now is 71.4 secs Computing kpt #: 129 total cpu time spent up to now is 71.9 secs Computing kpt #: 130 total cpu time spent up to now is 72.3 secs Computing kpt #: 131 total cpu time spent up to now is 72.8 secs Computing kpt #: 132 total cpu time spent up to now is 73.3 secs Computing kpt #: 133 total cpu time spent up to now is 73.7 secs Computing kpt #: 134 total cpu time spent up to now is 74.2 secs Computing kpt #: 135 total cpu time spent up to now is 74.7 secs Computing kpt #: 136 total cpu time spent up to now is 75.2 secs Computing kpt #: 137 total cpu time spent up to now is 75.7 secs Computing kpt #: 138 total cpu time spent up to now is 76.2 secs Computing kpt #: 139 total cpu time spent up to now is 76.6 secs Computing kpt #: 140 total cpu time spent up to now is 77.1 secs Computing kpt #: 141 total cpu time spent up to now is 77.6 secs Computing kpt #: 142 total cpu time spent up to now is 78.1 secs Computing kpt #: 143 total cpu time spent up to now is 78.6 secs Computing kpt #: 144 total cpu time spent up to now is 79.1 secs Computing kpt #: 145 total cpu time spent up to now is 79.6 secs Computing kpt #: 146 total cpu time spent up to now is 80.1 secs Computing kpt #: 147 total cpu time spent up to now is 80.7 secs Computing kpt #: 148 total cpu time spent up to now is 81.1 secs Computing kpt #: 149 total cpu time spent up to now is 81.7 secs Computing kpt #: 150 total cpu time spent up to now is 82.2 secs Computing kpt #: 151 total cpu time spent up to now is 82.7 secs Computing kpt #: 152 total cpu time spent up to now is 83.3 secs Computing kpt #: 153 total cpu time spent up to now is 83.8 secs Computing kpt #: 154 total cpu time spent up to now is 84.3 secs Computing kpt #: 155 total cpu time spent up to now is 84.8 secs Computing kpt #: 156 total cpu time spent up to now is 85.3 secs Computing kpt #: 157 total cpu time spent up to now is 85.8 secs Computing kpt #: 158 total cpu time spent up to now is 86.3 secs Computing kpt #: 159 total cpu time spent up to now is 86.8 secs Computing kpt #: 160 total cpu time spent up to now is 87.3 secs Computing kpt #: 161 total cpu time spent up to now is 87.9 secs Computing kpt #: 162 total cpu time spent up to now is 88.4 secs Computing kpt #: 163 total cpu time spent up to now is 88.9 secs Computing kpt #: 164 total cpu time spent up to now is 89.5 secs Computing kpt #: 165 total cpu time spent up to now is 90.0 secs Computing kpt #: 166 total cpu time spent up to now is 90.5 secs Computing kpt #: 167 total cpu time spent up to now is 91.1 secs Computing kpt #: 168 total cpu time spent up to now is 91.6 secs Computing kpt #: 169 total cpu time spent up to now is 92.2 secs Computing kpt #: 170 total cpu time spent up to now is 92.8 secs Computing kpt #: 171 total cpu time spent up to now is 93.4 secs Computing kpt #: 172 total cpu time spent up to now is 94.0 secs Computing kpt #: 173 total cpu time spent up to now is 94.7 secs Computing kpt #: 174 total cpu time spent up to now is 95.3 secs Computing kpt #: 175 total cpu time spent up to now is 95.9 secs Computing kpt #: 176 total cpu time spent up to now is 96.5 secs Computing kpt #: 177 total cpu time spent up to now is 97.0 secs Computing kpt #: 178 total cpu time spent up to now is 97.6 secs Computing kpt #: 179 total cpu time spent up to now is 98.1 secs Computing kpt #: 180 total cpu time spent up to now is 98.7 secs Computing kpt #: 181 total cpu time spent up to now is 99.3 secs Computing kpt #: 182 total cpu time spent up to now is 99.8 secs Computing kpt #: 183 total cpu time spent up to now is 100.3 secs Computing kpt #: 184 total cpu time spent up to now is 100.9 secs Computing kpt #: 185 total cpu time spent up to now is 101.3 secs Computing kpt #: 186 total cpu time spent up to now is 101.8 secs Computing kpt #: 187 total cpu time spent up to now is 102.3 secs Computing kpt #: 188 total cpu time spent up to now is 102.7 secs Computing kpt #: 189 total cpu time spent up to now is 103.3 secs Computing kpt #: 190 total cpu time spent up to now is 103.7 secs Computing kpt #: 191 total cpu time spent up to now is 104.2 secs Computing kpt #: 192 total cpu time spent up to now is 104.7 secs Computing kpt #: 193 total cpu time spent up to now is 105.2 secs Computing kpt #: 194 total cpu time spent up to now is 105.7 secs Computing kpt #: 195 total cpu time spent up to now is 106.1 secs Computing kpt #: 196 total cpu time spent up to now is 106.6 secs Computing kpt #: 197 total cpu time spent up to now is 107.1 secs Computing kpt #: 198 total cpu time spent up to now is 107.6 secs Computing kpt #: 199 total cpu time spent up to now is 108.1 secs Computing kpt #: 200 total cpu time spent up to now is 108.6 secs Computing kpt #: 201 total cpu time spent up to now is 109.0 secs Computing kpt #: 202 total cpu time spent up to now is 109.5 secs Computing kpt #: 203 total cpu time spent up to now is 110.1 secs Computing kpt #: 204 total cpu time spent up to now is 110.6 secs Computing kpt #: 205 total cpu time spent up to now is 111.1 secs Computing kpt #: 206 total cpu time spent up to now is 111.6 secs Computing kpt #: 207 total cpu time spent up to now is 112.1 secs Computing kpt #: 208 total cpu time spent up to now is 112.7 secs Computing kpt #: 209 total cpu time spent up to now is 113.3 secs Computing kpt #: 210 total cpu time spent up to now is 113.8 secs Computing kpt #: 211 total cpu time spent up to now is 114.4 secs Computing kpt #: 212 total cpu time spent up to now is 114.9 secs Computing kpt #: 213 total cpu time spent up to now is 115.5 secs Computing kpt #: 214 total cpu time spent up to now is 116.0 secs Computing kpt #: 215 total cpu time spent up to now is 116.5 secs Computing kpt #: 216 total cpu time spent up to now is 117.1 secs Computing kpt #: 217 total cpu time spent up to now is 117.6 secs Computing kpt #: 218 total cpu time spent up to now is 118.2 secs Computing kpt #: 219 total cpu time spent up to now is 118.7 secs Computing kpt #: 220 total cpu time spent up to now is 119.3 secs Computing kpt #: 221 total cpu time spent up to now is 119.8 secs Computing kpt #: 222 total cpu time spent up to now is 120.4 secs Computing kpt #: 223 total cpu time spent up to now is 120.9 secs Computing kpt #: 224 total cpu time spent up to now is 121.5 secs Computing kpt #: 225 total cpu time spent up to now is 122.1 secs Computing kpt #: 226 total cpu time spent up to now is 122.7 secs Computing kpt #: 227 total cpu time spent up to now is 123.3 secs Computing kpt #: 228 total cpu time spent up to now is 123.8 secs Computing kpt #: 229 total cpu time spent up to now is 124.3 secs Computing kpt #: 230 total cpu time spent up to now is 124.9 secs Computing kpt #: 231 total cpu time spent up to now is 125.4 secs Computing kpt #: 232 total cpu time spent up to now is 126.0 secs Computing kpt #: 233 total cpu time spent up to now is 126.6 secs Computing kpt #: 234 total cpu time spent up to now is 127.1 secs Computing kpt #: 235 total cpu time spent up to now is 127.7 secs Computing kpt #: 236 total cpu time spent up to now is 128.3 secs Computing kpt #: 237 total cpu time spent up to now is 128.9 secs Computing kpt #: 238 total cpu time spent up to now is 129.4 secs Computing kpt #: 239 total cpu time spent up to now is 130.0 secs Computing kpt #: 240 total cpu time spent up to now is 130.5 secs Computing kpt #: 241 total cpu time spent up to now is 131.1 secs Computing kpt #: 242 total cpu time spent up to now is 131.6 secs Computing kpt #: 243 total cpu time spent up to now is 132.1 secs Computing kpt #: 244 total cpu time spent up to now is 132.7 secs Computing kpt #: 245 total cpu time spent up to now is 133.2 secs Computing kpt #: 246 total cpu time spent up to now is 133.7 secs Computing kpt #: 247 total cpu time spent up to now is 134.3 secs Computing kpt #: 248 total cpu time spent up to now is 134.8 secs Computing kpt #: 249 total cpu time spent up to now is 135.4 secs Computing kpt #: 250 total cpu time spent up to now is 135.9 secs Computing kpt #: 251 total cpu time spent up to now is 136.4 secs Computing kpt #: 252 total cpu time spent up to now is 136.9 secs Computing kpt #: 253 total cpu time spent up to now is 137.5 secs Computing kpt #: 254 total cpu time spent up to now is 138.1 secs Computing kpt #: 255 total cpu time spent up to now is 138.7 secs Computing kpt #: 256 total cpu time spent up to now is 139.2 secs Computing kpt #: 257 total cpu time spent up to now is 139.7 secs Computing kpt #: 258 total cpu time spent up to now is 140.3 secs Computing kpt #: 259 total cpu time spent up to now is 140.9 secs Computing kpt #: 260 total cpu time spent up to now is 141.5 secs Computing kpt #: 261 total cpu time spent up to now is 142.1 secs Computing kpt #: 262 total cpu time spent up to now is 142.6 secs Computing kpt #: 263 total cpu time spent up to now is 143.1 secs Computing kpt #: 264 total cpu time spent up to now is 143.7 secs Computing kpt #: 265 total cpu time spent up to now is 144.3 secs Computing kpt #: 266 total cpu time spent up to now is 144.8 secs Computing kpt #: 267 total cpu time spent up to now is 145.4 secs Computing kpt #: 268 total cpu time spent up to now is 146.0 secs Computing kpt #: 269 total cpu time spent up to now is 146.6 secs Computing kpt #: 270 total cpu time spent up to now is 147.1 secs Computing kpt #: 271 total cpu time spent up to now is 147.7 secs Computing kpt #: 272 total cpu time spent up to now is 148.2 secs Computing kpt #: 273 total cpu time spent up to now is 148.8 secs Computing kpt #: 274 total cpu time spent up to now is 149.3 secs Computing kpt #: 275 total cpu time spent up to now is 149.8 secs Computing kpt #: 276 total cpu time spent up to now is 150.3 secs Computing kpt #: 277 total cpu time spent up to now is 150.9 secs Computing kpt #: 278 total cpu time spent up to now is 151.4 secs Computing kpt #: 279 total cpu time spent up to now is 152.0 secs Computing kpt #: 280 total cpu time spent up to now is 152.6 secs Computing kpt #: 281 total cpu time spent up to now is 153.3 secs Computing kpt #: 282 total cpu time spent up to now is 153.8 secs Computing kpt #: 283 total cpu time spent up to now is 154.3 secs Computing kpt #: 284 total cpu time spent up to now is 154.8 secs Computing kpt #: 285 total cpu time spent up to now is 155.3 secs Computing kpt #: 286 total cpu time spent up to now is 155.7 secs Computing kpt #: 287 total cpu time spent up to now is 156.2 secs Computing kpt #: 288 total cpu time spent up to now is 156.7 secs Computing kpt #: 289 total cpu time spent up to now is 157.2 secs Computing kpt #: 290 total cpu time spent up to now is 157.7 secs Computing kpt #: 291 total cpu time spent up to now is 158.2 secs Computing kpt #: 292 total cpu time spent up to now is 158.8 secs Computing kpt #: 293 total cpu time spent up to now is 159.3 secs Computing kpt #: 294 total cpu time spent up to now is 159.8 secs Computing kpt #: 295 total cpu time spent up to now is 160.4 secs Computing kpt #: 296 total cpu time spent up to now is 160.9 secs Computing kpt #: 297 total cpu time spent up to now is 161.4 secs Computing kpt #: 298 total cpu time spent up to now is 161.9 secs Computing kpt #: 299 total cpu time spent up to now is 162.5 secs Computing kpt #: 300 total cpu time spent up to now is 163.1 secs Computing kpt #: 301 total cpu time spent up to now is 163.6 secs Computing kpt #: 302 total cpu time spent up to now is 164.2 secs Computing kpt #: 303 total cpu time spent up to now is 164.7 secs Computing kpt #: 304 total cpu time spent up to now is 165.3 secs Computing kpt #: 305 total cpu time spent up to now is 165.8 secs Computing kpt #: 306 total cpu time spent up to now is 166.3 secs Computing kpt #: 307 total cpu time spent up to now is 166.9 secs Computing kpt #: 308 total cpu time spent up to now is 167.4 secs Computing kpt #: 309 total cpu time spent up to now is 168.0 secs Computing kpt #: 310 total cpu time spent up to now is 168.6 secs Computing kpt #: 311 total cpu time spent up to now is 169.1 secs Computing kpt #: 312 total cpu time spent up to now is 169.7 secs Computing kpt #: 313 total cpu time spent up to now is 170.2 secs Computing kpt #: 314 total cpu time spent up to now is 170.8 secs Computing kpt #: 315 total cpu time spent up to now is 171.4 secs Computing kpt #: 316 total cpu time spent up to now is 171.9 secs Computing kpt #: 317 total cpu time spent up to now is 172.5 secs Computing kpt #: 318 total cpu time spent up to now is 173.1 secs Computing kpt #: 319 total cpu time spent up to now is 173.6 secs Computing kpt #: 320 total cpu time spent up to now is 174.2 secs Computing kpt #: 321 total cpu time spent up to now is 174.8 secs Computing kpt #: 322 total cpu time spent up to now is 175.3 secs Computing kpt #: 323 total cpu time spent up to now is 175.9 secs Computing kpt #: 324 total cpu time spent up to now is 176.5 secs Computing kpt #: 325 total cpu time spent up to now is 177.2 secs Computing kpt #: 326 total cpu time spent up to now is 177.7 secs Computing kpt #: 327 total cpu time spent up to now is 178.3 secs Computing kpt #: 328 total cpu time spent up to now is 178.8 secs Computing kpt #: 329 total cpu time spent up to now is 179.3 secs Computing kpt #: 330 total cpu time spent up to now is 179.9 secs Computing kpt #: 331 total cpu time spent up to now is 180.4 secs Computing kpt #: 332 total cpu time spent up to now is 180.9 secs Computing kpt #: 333 total cpu time spent up to now is 181.4 secs Computing kpt #: 334 total cpu time spent up to now is 181.9 secs ethr = 2.27E-08, avg # of iterations = 16.1 total cpu time spent up to now is 181.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3215 PWs) bands (ev): -70.5085 -70.5085 -47.5042 -47.5042 -39.3242 -39.3242 -34.8521 -34.8521 -34.8521 -34.8521 -21.8129 -21.8129 -14.0786 -14.0786 -14.0786 -14.0786 -6.6073 -6.6073 -6.6073 -6.6073 -5.5807 -5.5807 -5.5807 -5.5807 -5.5736 -5.5736 5.1210 5.1210 10.3742 10.3742 10.3742 10.3742 10.4209 10.4209 10.9340 10.9340 10.9340 10.9340 14.8164 14.8164 14.8196 14.8196 14.8196 14.8196 17.0619 17.0619 17.0619 17.0619 17.6081 17.6081 17.9840 17.9840 k = 0.0100-0.0058 0.0082 ( 3235 PWs) bands (ev): -70.5086 -70.5086 -47.5042 -47.5042 -39.3242 -39.3242 -34.8521 -34.8521 -34.8521 -34.8521 -21.8129 -21.8129 -14.0787 -14.0787 -14.0786 -14.0786 -6.6076 -6.6076 -6.6074 -6.6074 -5.5810 -5.5810 -5.5808 -5.5808 -5.5738 -5.5738 5.1226 5.1226 10.3667 10.3667 10.3797 10.3797 10.4209 10.4209 10.9263 10.9263 10.9426 10.9426 14.8103 14.8103 14.8143 14.8143 14.8217 14.8217 17.0486 17.0486 17.0613 17.0613 17.6085 17.6085 17.9307 17.9307 k = 0.0200-0.0115 0.0163 ( 3231 PWs) bands (ev): -70.5086 -70.5086 -47.5042 -47.5042 -39.3242 -39.3242 -34.8521 -34.8521 -34.8521 -34.8521 -21.8129 -21.8129 -14.0787 -14.0787 -14.0786 -14.0786 -6.6075 -6.6075 -6.6073 -6.6073 -5.5810 -5.5810 -5.5807 -5.5807 -5.5736 -5.5736 5.1277 5.1277 10.3568 10.3568 10.3844 10.3844 10.4213 10.4213 10.9200 10.9200 10.9524 10.9524 14.7977 14.7977 14.8017 14.8017 14.8196 14.8196 17.0104 17.0104 17.0594 17.0594 17.6087 17.6087 17.8727 17.8727 k = 0.0300-0.0173 0.0245 ( 3211 PWs) bands (ev): -70.5085 -70.5085 -47.5042 -47.5042 -39.3242 -39.3242 -34.8521 -34.8521 -34.8521 -34.8521 -21.8129 -21.8129 -14.0788 -14.0788 -14.0786 -14.0786 -6.6073 -6.6073 -6.6070 -6.6070 -5.5809 -5.5809 -5.5804 -5.5804 -5.5733 -5.5733 5.1360 5.1360 10.3437 10.3437 10.3888 10.3888 10.4222 10.4222 10.9151 10.9151 10.9629 10.9629 14.7798 14.7798 14.7815 14.7815 14.8127 14.8127 16.9514 16.9514 17.0564 17.0564 17.6062 17.6062 17.8417 17.8417 k = 0.0400-0.0231 0.0327 ( 3219 PWs) bands (ev): -70.5085 -70.5085 -47.5042 -47.5042 -39.3242 -39.3242 -34.8521 -34.8521 -34.8521 -34.8521 -21.8129 -21.8129 -14.0790 -14.0790 -14.0787 -14.0787 -6.6074 -6.6074 -6.6069 -6.6069 -5.5809 -5.5809 -5.5803 -5.5803 -5.5733 -5.5733 5.1477 5.1477 10.3267 10.3267 10.3929 10.3929 10.4239 10.4239 10.9115 10.9115 10.9739 10.9739 14.7519 14.7519 14.7590 14.7590 14.8012 14.8012 16.8776 16.8776 17.0521 17.0521 17.6004 17.6004 17.8372 17.8372 k = 0.0500-0.0289 0.0408 ( 3219 PWs) bands (ev): -70.5085 -70.5085 -47.5042 -47.5042 -39.3242 -39.3242 -34.8521 -34.8521 -34.8521 -34.8521 -21.8130 -21.8130 -14.0793 -14.0793 -14.0788 -14.0788 -6.6074 -6.6074 -6.6067 -6.6067 -5.5809 -5.5809 -5.5801 -5.5801 -5.5733 -5.5733 5.1627 5.1627 10.3060 10.3060 10.3972 10.3972 10.4266 10.4266 10.9094 10.9094 10.9852 10.9852 14.7155 14.7155 14.7332 14.7332 14.7853 14.7853 16.7948 16.7948 17.0466 17.0466 17.5937 17.5937 17.8532 17.8532 k = 0.0600-0.0346 0.0490 ( 3219 PWs) bands (ev): -70.5085 -70.5085 -47.5042 -47.5042 -39.3242 -39.3242 -34.8521 -34.8521 -34.8521 -34.8521 -21.8130 -21.8130 -14.0796 -14.0796 -14.0788 -14.0788 -6.6074 -6.6074 -6.6065 -6.6065 -5.5809 -5.5809 -5.5799 -5.5799 -5.5732 -5.5732 5.1810 5.1810 10.2817 10.2817 10.4018 10.4018 10.4303 10.4303 10.9086 10.9086 10.9965 10.9965 14.6718 14.6718 14.7040 14.7040 14.7655 14.7655 16.7080 16.7080 17.0400 17.0400 17.5885 17.5885 17.8832 17.8832 k = 0.0700-0.0404 0.0572 ( 3211 PWs) bands (ev): -70.5085 -70.5085 -47.5042 -47.5042 -39.3242 -39.3242 -34.8521 -34.8521 -34.8521 -34.8521 -21.8130 -21.8130 -14.0799 -14.0799 -14.0789 -14.0789 -6.6073 -6.6073 -6.6062 -6.6062 -5.5808 -5.5808 -5.5795 -5.5795 -5.5730 -5.5730 5.2025 5.2025 10.2541 10.2541 10.4069 10.4069 10.4350 10.4350 10.9090 10.9090 11.0078 11.0078 14.6213 14.6213 14.6715 14.6715 14.7421 14.7421 16.6208 16.6208 17.0322 17.0322 17.5860 17.5860 17.9226 17.9226 k = 0.0800-0.0462 0.0653 ( 3215 PWs) bands (ev): -70.5085 -70.5085 -47.5042 -47.5042 -39.3242 -39.3242 -34.8521 -34.8521 -34.8520 -34.8520 -21.8131 -21.8131 -14.0803 -14.0803 -14.0789 -14.0789 -6.6073 -6.6073 -6.6060 -6.6060 -5.5808 -5.5808 -5.5793 -5.5793 -5.5729 -5.5729 5.2273 5.2273 10.2233 10.2233 10.4122 10.4122 10.4407 10.4407 10.9105 10.9105 11.0186 11.0186 14.5648 14.5648 14.6364 14.6364 14.7156 14.7156 16.5352 16.5352 17.0233 17.0233 17.5867 17.5867 17.9683 17.9683 k = 0.0900-0.0520 0.0735 ( 3219 PWs) bands (ev): -70.5085 -70.5085 -47.5042 -47.5042 -39.3242 -39.3242 -34.8522 -34.8522 -34.8520 -34.8520 -21.8131 -21.8131 -14.0807 -14.0807 -14.0790 -14.0790 -6.6073 -6.6073 -6.6058 -6.6058 -5.5807 -5.5807 -5.5790 -5.5790 -5.5728 -5.5728 5.2551 5.2551 10.1899 10.1899 10.4180 10.4180 10.4472 10.4472 10.9131 10.9131 11.0290 11.0290 14.5027 14.5027 14.5991 14.5991 14.6864 14.6864 16.4527 16.4527 17.0134 17.0134 17.5903 17.5903 18.0186 18.0186 k = 0.1000-0.0577 0.0816 ( 3219 PWs) bands (ev): -70.5085 -70.5085 -47.5042 -47.5042 -39.3242 -39.3242 -34.8522 -34.8522 -34.8520 -34.8520 -21.8132 -21.8132 -14.0812 -14.0812 -14.0791 -14.0791 -6.6073 -6.6073 -6.6055 -6.6055 -5.5807 -5.5807 -5.5787 -5.5787 -5.5727 -5.5727 5.2860 5.2860 10.1542 10.1542 10.4242 10.4242 10.4547 10.4547 10.9165 10.9165 11.0389 11.0389 14.4359 14.4359 14.5600 14.5600 14.6551 14.6551 16.3741 16.3741 17.0024 17.0024 17.5966 17.5966 18.0718 18.0718 k = 0.1100-0.0635 0.0898 ( 3227 PWs) bands (ev): -70.5086 -70.5086 -47.5042 -47.5042 -39.3242 -39.3242 -34.8522 -34.8522 -34.8520 -34.8520 -21.8132 -21.8132 -14.0817 -14.0817 -14.0792 -14.0792 -6.6073 -6.6073 -6.6053 -6.6053 -5.5807 -5.5807 -5.5784 -5.5784 -5.5727 -5.5727 5.3200 5.3200 10.1164 10.1164 10.4307 10.4307 10.4629 10.4629 10.9207 10.9207 11.0481 11.0481 14.3652 14.3652 14.5194 14.5194 14.6220 14.6220 16.2998 16.2998 16.9904 16.9904 17.6054 17.6054 18.1267 18.1267 k = 0.1200-0.0693 0.0980 ( 3223 PWs) bands (ev): -70.5085 -70.5085 -47.5042 -47.5042 -39.3242 -39.3242 -34.8522 -34.8522 -34.8520 -34.8520 -21.8133 -21.8133 -14.0822 -14.0822 -14.0793 -14.0793 -6.6073 -6.6073 -6.6049 -6.6049 -5.5806 -5.5806 -5.5780 -5.5780 -5.5725 -5.5725 5.3569 5.3569 10.0770 10.0770 10.4377 10.4377 10.4721 10.4721 10.9256 10.9256 11.0567 11.0567 14.2912 14.2912 14.4779 14.4779 14.5878 14.5878 16.2297 16.2297 16.9774 16.9774 17.6163 17.6163 18.1821 18.1821 k = 0.1300-0.0751 0.1061 ( 3223 PWs) bands (ev): -70.5085 -70.5085 -47.5042 -47.5042 -39.3241 -39.3241 -34.8522 -34.8522 -34.8520 -34.8520 -21.8133 -21.8133 -14.0828 -14.0828 -14.0795 -14.0795 -6.6073 -6.6073 -6.6046 -6.6046 -5.5805 -5.5805 -5.5776 -5.5776 -5.5723 -5.5723 5.3966 5.3966 10.0363 10.0363 10.4449 10.4449 10.4819 10.4819 10.9309 10.9309 11.0646 11.0646 14.2147 14.2147 14.4358 14.4358 14.5526 14.5526 16.1638 16.1638 16.9636 16.9636 17.6293 17.6293 18.2369 18.2369 k = 0.1400-0.0808 0.1143 ( 3219 PWs) bands (ev): -70.5085 -70.5085 -47.5042 -47.5042 -39.3241 -39.3241 -34.8523 -34.8523 -34.8520 -34.8520 -21.8134 -21.8134 -14.0833 -14.0833 -14.0796 -14.0796 -6.6072 -6.6072 -6.6041 -6.6041 -5.5805 -5.5805 -5.5771 -5.5771 -5.5721 -5.5721 5.4391 5.4391 9.9946 9.9946 10.4525 10.4525 10.4924 10.4924 10.9366 10.9366 11.0719 11.0719 14.1363 14.1363 14.3933 14.3933 14.5171 14.5171 16.1019 16.1019 16.9488 16.9488 17.6440 17.6440 18.2899 18.2899 k = 0.1500-0.0866 0.1225 ( 3231 PWs) bands (ev): -70.5086 -70.5086 -47.5043 -47.5043 -39.3241 -39.3241 -34.8523 -34.8523 -34.8520 -34.8520 -21.8134 -21.8134 -14.0840 -14.0840 -14.0797 -14.0797 -6.6072 -6.6072 -6.6040 -6.6040 -5.5805 -5.5805 -5.5769 -5.5769 -5.5721 -5.5721 5.4842 5.4842 9.9522 9.9522 10.4602 10.4602 10.5035 10.5035 10.9423 10.9423 11.0786 11.0786 14.0567 14.0567 14.3509 14.3509 14.4814 14.4814 16.0436 16.0436 16.9332 16.9332 17.6602 17.6602 18.3398 18.3398 k = 0.1600-0.0924 0.1306 ( 3231 PWs) bands (ev): -70.5086 -70.5086 -47.5043 -47.5043 -39.3241 -39.3241 -34.8523 -34.8523 -34.8520 -34.8520 -21.8135 -21.8135 -14.0846 -14.0846 -14.0799 -14.0799 -6.6072 -6.6072 -6.6037 -6.6037 -5.5804 -5.5804 -5.5765 -5.5765 -5.5719 -5.5719 5.5318 5.5318 9.9095 9.9095 10.4681 10.4681 10.5152 10.5152 10.9480 10.9480 11.0849 11.0849 13.9763 13.9763 14.3088 14.3088 14.4461 14.4461 15.9889 15.9889 16.9168 16.9168 17.6780 17.6780 18.3857 18.3857 k = 0.1700-0.0981 0.1388 ( 3227 PWs) bands (ev): -70.5085 -70.5085 -47.5043 -47.5043 -39.3241 -39.3241 -34.8523 -34.8523 -34.8519 -34.8519 -21.8136 -21.8136 -14.0852 -14.0852 -14.0800 -14.0800 -6.6072 -6.6072 -6.6032 -6.6032 -5.5804 -5.5804 -5.5760 -5.5760 -5.5716 -5.5716 5.5818 5.5818 9.8667 9.8667 10.4762 10.4762 10.5275 10.5275 10.9535 10.9535 11.0910 11.0910 13.8956 13.8956 14.2671 14.2671 14.4113 14.4113 15.9374 15.9374 16.8997 16.8997 17.6970 17.6970 18.4264 18.4264 k = 0.1800-0.1039 0.1470 ( 3227 PWs) bands (ev): -70.5085 -70.5085 -47.5043 -47.5043 -39.3241 -39.3241 -34.8524 -34.8524 -34.8519 -34.8519 -21.8136 -21.8136 -14.0859 -14.0859 -14.0802 -14.0802 -6.6072 -6.6072 -6.6029 -6.6029 -5.5803 -5.5803 -5.5757 -5.5757 -5.5714 -5.5714 5.6340 5.6340 9.8242 9.8242 10.4844 10.4844 10.5403 10.5403 10.9585 10.9585 11.0970 11.0970 13.8149 13.8149 14.2262 14.2262 14.3775 14.3775 15.8889 15.8889 16.8819 16.8819 17.7171 17.7171 18.4607 18.4607 k = 0.1900-0.1097 0.1551 ( 3235 PWs) bands (ev): -70.5086 -70.5086 -47.5043 -47.5043 -39.3241 -39.3241 -34.8524 -34.8524 -34.8519 -34.8519 -21.8137 -21.8137 -14.0865 -14.0865 -14.0803 -14.0803 -6.6072 -6.6072 -6.6027 -6.6027 -5.5804 -5.5804 -5.5754 -5.5754 -5.5712 -5.5712 5.6882 5.6882 9.7822 9.7822 10.4925 10.4925 10.5534 10.5534 10.9628 10.9628 11.1030 11.1030 13.7345 13.7345 14.1863 14.1863 14.3447 14.3447 15.8431 15.8431 16.8635 16.8635 17.7382 17.7382 18.4878 18.4878 k = 0.2000-0.1155 0.1633 ( 3219 PWs) bands (ev): -70.5085 -70.5085 -47.5043 -47.5043 -39.3241 -39.3241 -34.8524 -34.8524 -34.8519 -34.8519 -21.8138 -21.8138 -14.0872 -14.0872 -14.0805 -14.0805 -6.6071 -6.6071 -6.6022 -6.6022 -5.5803 -5.5803 -5.5749 -5.5749 -5.5707 -5.5707 5.7443 5.7443 9.7412 9.7412 10.5008 10.5008 10.5671 10.5671 10.9661 10.9661 11.1095 11.1095 13.6546 13.6546 14.1474 14.1474 14.3133 14.3133 15.7998 15.7998 16.8445 16.8445 17.7600 17.7600 18.5069 18.5069 k = 0.2100-0.1212 0.1715 ( 3215 PWs) bands (ev): -70.5085 -70.5085 -47.5043 -47.5043 -39.3241 -39.3241 -34.8524 -34.8524 -34.8519 -34.8519 -21.8138 -21.8138 -14.0878 -14.0878 -14.0806 -14.0806 -6.6070 -6.6070 -6.6018 -6.6018 -5.5803 -5.5803 -5.5745 -5.5745 -5.5705 -5.5705 5.8020 5.8020 9.7015 9.7015 10.5089 10.5089 10.5809 10.5809 10.9683 10.9683 11.1166 11.1166 13.5754 13.5754 14.1098 14.1098 14.2834 14.2834 15.7588 15.7588 16.8250 16.8250 17.7822 17.7822 18.5174 18.5174 k = 0.2200-0.1270 0.1796 ( 3215 PWs) bands (ev): -70.5085 -70.5085 -47.5043 -47.5043 -39.3241 -39.3241 -34.8525 -34.8525 -34.8518 -34.8518 -21.8139 -21.8139 -14.0884 -14.0884 -14.0808 -14.0808 -6.6070 -6.6070 -6.6016 -6.6016 -5.5803 -5.5803 -5.5743 -5.5743 -5.5702 -5.5702 5.8611 5.8611 9.6634 9.6634 10.5168 10.5168 10.5950 10.5950 10.9692 10.9692 11.1243 11.1243 13.4968 13.4968 14.0736 14.0736 14.2552 14.2552 15.7200 15.7200 16.8051 16.8051 17.8046 17.8046 18.5188 18.5188 k = 0.2300-0.1328 0.1878 ( 3215 PWs) bands (ev): -70.5085 -70.5085 -47.5044 -47.5044 -39.3241 -39.3241 -34.8525 -34.8525 -34.8518 -34.8518 -21.8140 -21.8140 -14.0891 -14.0891 -14.0810 -14.0810 -6.6070 -6.6070 -6.6013 -6.6013 -5.5803 -5.5803 -5.5741 -5.5741 -5.5699 -5.5699 5.9214 5.9214 9.6273 9.6273 10.5245 10.5245 10.6092 10.6092 10.9688 10.9688 11.1327 11.1327 13.4188 13.4188 14.0388 14.0388 14.2288 14.2288 15.6832 15.6832 16.7848 16.7848 17.8269 17.8269 18.5112 18.5112 k = 0.2400-0.1386 0.1960 ( 3207 PWs) bands (ev): -70.5085 -70.5085 -47.5044 -47.5044 -39.3240 -39.3240 -34.8525 -34.8525 -34.8518 -34.8518 -21.8140 -21.8140 -14.0897 -14.0897 -14.0811 -14.0811 -6.6069 -6.6069 -6.6011 -6.6011 -5.5802 -5.5802 -5.5738 -5.5738 -5.5695 -5.5695 5.9826 5.9826 9.5935 9.5935 10.5320 10.5320 10.6236 10.6236 10.9671 10.9671 11.1421 11.1421 13.3415 13.3415 14.0056 14.0056 14.2045 14.2045 15.6484 15.6484 16.7642 16.7642 17.8486 17.8486 18.4946 18.4946 k = 0.2500-0.1443 0.2041 ( 3207 PWs) bands (ev): -70.5085 -70.5085 -47.5044 -47.5044 -39.3240 -39.3240 -34.8526 -34.8526 -34.8518 -34.8518 -21.8141 -21.8141 -14.0903 -14.0903 -14.0813 -14.0813 -6.6068 -6.6068 -6.6009 -6.6009 -5.5802 -5.5802 -5.5737 -5.5737 -5.5692 -5.5692 6.0443 6.0443 9.5625 9.5625 10.5390 10.5390 10.6379 10.6379 10.9642 10.9642 11.1521 11.1521 13.2646 13.2646 13.9741 13.9741 14.1821 14.1821 15.6153 15.6153 16.7434 16.7434 17.8692 17.8692 18.4693 18.4693 k = 0.2600-0.1501 0.2123 ( 3211 PWs) bands (ev): -70.5085 -70.5085 -47.5044 -47.5044 -39.3240 -39.3240 -34.8526 -34.8526 -34.8518 -34.8518 -21.8142 -21.8142 -14.0909 -14.0909 -14.0814 -14.0814 -6.6068 -6.6068 -6.6008 -6.6008 -5.5802 -5.5802 -5.5737 -5.5737 -5.5689 -5.5689 6.1064 6.1064 9.5344 9.5344 10.5457 10.5457 10.6522 10.6522 10.9602 10.9602 11.1628 11.1628 13.1881 13.1881 13.9443 13.9443 14.1619 14.1619 15.5838 15.5838 16.7225 16.7225 17.8881 17.8881 18.4359 18.4359 k = 0.2700-0.1559 0.2205 ( 3235 PWs) bands (ev): -70.5085 -70.5085 -47.5044 -47.5044 -39.3240 -39.3240 -34.8526 -34.8526 -34.8518 -34.8518 -21.8142 -21.8142 -14.0915 -14.0915 -14.0816 -14.0816 -6.6070 -6.6070 -6.6010 -6.6010 -5.5805 -5.5805 -5.5739 -5.5739 -5.5690 -5.5690 6.1684 6.1684 9.5098 9.5098 10.5517 10.5517 10.6661 10.6661 10.9553 10.9553 11.1740 11.1740 13.1118 13.1118 13.9163 13.9163 14.1439 14.1439 15.5540 15.5540 16.7014 16.7014 17.9044 17.9044 18.3948 18.3948 k = 0.2800-0.1617 0.2286 ( 3234 PWs) bands (ev): -70.5085 -70.5085 -47.5044 -47.5044 -39.3240 -39.3240 -34.8527 -34.8527 -34.8517 -34.8517 -21.8143 -21.8143 -14.0921 -14.0921 -14.0818 -14.0818 -6.6070 -6.6070 -6.6009 -6.6009 -5.5805 -5.5805 -5.5739 -5.5739 -5.5687 -5.5687 6.2300 6.2300 9.4891 9.4891 10.5575 10.5575 10.6800 10.6800 10.9499 10.9499 11.1857 11.1857 13.0356 13.0356 13.8900 13.8900 14.1281 14.1281 15.5257 15.5257 16.6804 16.6804 17.9171 17.9171 18.3468 18.3468 k = 0.2900-0.1674 0.2368 ( 3234 PWs) bands (ev): -70.5085 -70.5085 -47.5044 -47.5044 -39.3240 -39.3240 -34.8527 -34.8527 -34.8517 -34.8517 -21.8144 -21.8144 -14.0926 -14.0926 -14.0820 -14.0820 -6.6071 -6.6071 -6.6008 -6.6008 -5.5806 -5.5806 -5.5739 -5.5739 -5.5683 -5.5683 6.2908 6.2908 9.4724 9.4724 10.5627 10.5627 10.6935 10.6935 10.9441 10.9441 11.1977 11.1977 12.9591 12.9591 13.8657 13.8657 14.1144 14.1144 15.4988 15.4988 16.6595 16.6595 17.9249 17.9249 18.2927 18.2927 k = 0.3000-0.1732 0.2449 ( 3238 PWs) bands (ev): -70.5085 -70.5085 -47.5045 -47.5045 -39.3240 -39.3240 -34.8527 -34.8527 -34.8517 -34.8517 -21.8144 -21.8144 -14.0931 -14.0931 -14.0821 -14.0821 -6.6070 -6.6070 -6.6009 -6.6009 -5.5807 -5.5807 -5.5740 -5.5740 -5.5680 -5.5680 6.3504 6.3504 9.4603 9.4603 10.5674 10.5674 10.7066 10.7066 10.9380 10.9380 11.2099 11.2099 12.8824 12.8824 13.8431 13.8431 14.1029 14.1029 15.4734 15.4734 16.6388 16.6388 17.9263 17.9263 18.2335 18.2335 k = 0.3100-0.1790 0.2531 ( 3246 PWs) bands (ev): -70.5086 -70.5086 -47.5045 -47.5045 -39.3240 -39.3240 -34.8528 -34.8528 -34.8517 -34.8517 -21.8145 -21.8145 -14.0936 -14.0936 -14.0823 -14.0823 -6.6070 -6.6070 -6.6010 -6.6010 -5.5807 -5.5807 -5.5743 -5.5743 -5.5678 -5.5678 6.4085 6.4085 9.4530 9.4530 10.5714 10.5714 10.7190 10.7190 10.9319 10.9319 11.2223 11.2223 12.8051 12.8051 13.8224 13.8224 14.0935 14.0935 15.4492 15.4492 16.6184 16.6184 17.9192 17.9192 18.1709 18.1709 k = 0.3200-0.1848 0.2613 ( 3230 PWs) bands (ev): -70.5085 -70.5085 -47.5045 -47.5045 -39.3240 -39.3240 -34.8528 -34.8528 -34.8517 -34.8517 -21.8145 -21.8145 -14.0941 -14.0941 -14.0824 -14.0824 -6.6070 -6.6070 -6.6008 -6.6008 -5.5807 -5.5807 -5.5741 -5.5741 -5.5674 -5.5674 6.4647 6.4647 9.4508 9.4508 10.5752 10.5752 10.7309 10.7309 10.9263 10.9263 11.2348 11.2348 12.7272 12.7272 13.8035 13.8035 14.0862 14.0862 15.4265 15.4265 16.5983 16.5983 17.9010 17.9010 18.1074 18.1074 k = 0.3300-0.1905 0.2694 ( 3230 PWs) bands (ev): -70.5085 -70.5085 -47.5045 -47.5045 -39.3240 -39.3240 -34.8528 -34.8528 -34.8516 -34.8516 -21.8146 -21.8146 -14.0945 -14.0945 -14.0826 -14.0826 -6.6069 -6.6069 -6.6008 -6.6008 -5.5807 -5.5807 -5.5743 -5.5743 -5.5671 -5.5671 6.5185 6.5185 9.4538 9.4538 10.5783 10.5783 10.7419 10.7419 10.9210 10.9210 11.2471 11.2471 12.6484 12.6484 13.7864 13.7864 14.0808 14.0808 15.4049 15.4049 16.5787 16.5787 17.8688 17.8688 18.0465 18.0465 k = 0.3400-0.1963 0.2776 ( 3230 PWs) bands (ev): -70.5085 -70.5085 -47.5045 -47.5045 -39.3240 -39.3240 -34.8528 -34.8528 -34.8516 -34.8516 -21.8146 -21.8146 -14.0949 -14.0949 -14.0827 -14.0827 -6.6069 -6.6069 -6.6009 -6.6009 -5.5807 -5.5807 -5.5745 -5.5745 -5.5669 -5.5669 6.5698 6.5698 9.4622 9.4622 10.5809 10.5809 10.7519 10.7519 10.9165 10.9165 11.2592 11.2592 12.5688 12.5688 13.7710 13.7710 14.0772 14.0772 15.3846 15.3846 16.5597 16.5597 17.8208 17.8208 17.9915 17.9915 k = 0.3500-0.2021 0.2858 ( 3230 PWs) bands (ev): -70.5085 -70.5085 -47.5045 -47.5045 -39.3240 -39.3240 -34.8529 -34.8529 -34.8516 -34.8516 -21.8147 -21.8147 -14.0953 -14.0953 -14.0828 -14.0828 -6.6069 -6.6069 -6.6010 -6.6010 -5.5807 -5.5807 -5.5747 -5.5747 -5.5666 -5.5666 6.6181 6.6181 9.4761 9.4761 10.5833 10.5833 10.7607 10.7607 10.9128 10.9128 11.2711 11.2711 12.4881 12.4881 13.7573 13.7573 14.0753 14.0753 15.3655 15.3655 16.5412 16.5412 17.7592 17.7592 17.9426 17.9426 k = 0.3600-0.2078 0.2939 ( 3230 PWs) bands (ev): -70.5085 -70.5085 -47.5045 -47.5045 -39.3239 -39.3239 -34.8529 -34.8529 -34.8516 -34.8516 -21.8147 -21.8147 -14.0957 -14.0957 -14.0830 -14.0830 -6.6068 -6.6068 -6.6012 -6.6012 -5.5807 -5.5807 -5.5749 -5.5749 -5.5664 -5.5664 6.6633 6.6633 9.4953 9.4953 10.5853 10.5853 10.7682 10.7682 10.9103 10.9103 11.2827 11.2827 12.4066 12.4066 13.7453 13.7453 14.0750 14.0750 15.3476 15.3476 16.5235 16.5235 17.6890 17.6890 17.8974 17.8974 k = 0.3700-0.2136 0.3021 ( 3222 PWs) bands (ev): -70.5085 -70.5085 -47.5045 -47.5045 -39.3239 -39.3239 -34.8529 -34.8529 -34.8516 -34.8516 -21.8148 -21.8148 -14.0960 -14.0960 -14.0831 -14.0831 -6.6067 -6.6067 -6.6012 -6.6012 -5.5807 -5.5807 -5.5751 -5.5751 -5.5661 -5.5661 6.7050 6.7050 9.5199 9.5199 10.5874 10.5874 10.7743 10.7743 10.9091 10.9091 11.2938 11.2938 12.3243 12.3243 13.7347 13.7347 14.0760 14.0760 15.3309 15.3309 16.5065 16.5065 17.6155 17.6155 17.8539 17.8539 k = 0.3800-0.2194 0.3103 ( 3226 PWs) bands (ev): -70.5085 -70.5085 -47.5045 -47.5045 -39.3239 -39.3239 -34.8529 -34.8529 -34.8516 -34.8516 -21.8148 -21.8148 -14.0963 -14.0963 -14.0832 -14.0832 -6.6067 -6.6067 -6.6014 -6.6014 -5.5807 -5.5807 -5.5754 -5.5754 -5.5659 -5.5659 6.7433 6.7433 9.5492 9.5492 10.5895 10.5895 10.7787 10.7787 10.9093 10.9093 11.3045 11.3045 12.2413 12.2413 13.7255 13.7255 14.0781 14.0781 15.3153 15.3153 16.4904 16.4904 17.5419 17.5419 17.8113 17.8113 k = 0.3900-0.2252 0.3184 ( 3226 PWs) bands (ev): -70.5085 -70.5085 -47.5045 -47.5045 -39.3239 -39.3239 -34.8530 -34.8530 -34.8515 -34.8515 -21.8148 -21.8148 -14.0966 -14.0966 -14.0833 -14.0833 -6.6067 -6.6067 -6.6015 -6.6015 -5.5807 -5.5807 -5.5757 -5.5757 -5.5657 -5.5657 6.7780 6.7780 9.5830 9.5830 10.5920 10.5920 10.7814 10.7814 10.9109 10.9109 11.3146 11.3146 12.1579 12.1579 13.7177 13.7177 14.0812 14.0812 15.3010 15.3010 16.4753 16.4753 17.4705 17.4705 17.7697 17.7697 k = 0.4000-0.2309 0.3266 ( 3242 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5046 -39.3239 -39.3239 -34.8530 -34.8530 -34.8515 -34.8515 -21.8149 -21.8149 -14.0968 -14.0968 -14.0834 -14.0834 -6.6068 -6.6068 -6.6019 -6.6019 -5.5808 -5.5808 -5.5762 -5.5762 -5.5656 -5.5656 6.8090 6.8090 9.6205 9.6205 10.5949 10.5949 10.7825 10.7825 10.9138 10.9138 11.3241 11.3241 12.0746 12.0746 13.7111 13.7111 14.0851 14.0851 15.2877 15.2877 16.4612 16.4612 17.4029 17.4029 17.7297 17.7297 k = 0.4100-0.2367 0.3348 ( 3242 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5046 -39.3239 -39.3239 -34.8530 -34.8530 -34.8515 -34.8515 -21.8149 -21.8149 -14.0971 -14.0971 -14.0835 -14.0835 -6.6068 -6.6068 -6.6021 -6.6021 -5.5808 -5.5808 -5.5765 -5.5765 -5.5655 -5.5655 6.8366 6.8366 9.6608 9.6608 10.5989 10.5989 10.7821 10.7821 10.9180 10.9180 11.3331 11.3331 11.9918 11.9918 13.7056 13.7056 14.0895 14.0895 15.2757 15.2757 16.4483 16.4483 17.3401 17.3401 17.6919 17.6919 k = 0.4200-0.2425 0.3429 ( 3242 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5046 -39.3239 -39.3239 -34.8530 -34.8530 -34.8515 -34.8515 -21.8149 -21.8149 -14.0973 -14.0973 -14.0836 -14.0836 -6.6067 -6.6067 -6.6022 -6.6022 -5.5808 -5.5808 -5.5768 -5.5768 -5.5653 -5.5653 6.8606 6.8606 9.7030 9.7030 10.6040 10.6040 10.7802 10.7802 10.9232 10.9232 11.3415 11.3415 11.9105 11.9105 13.7010 13.7010 14.0942 14.0942 15.2649 15.2649 16.4365 16.4365 17.2827 17.2827 17.6567 17.6567 k = 0.4300-0.2483 0.3511 ( 3246 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5046 -39.3239 -39.3239 -34.8530 -34.8530 -34.8515 -34.8515 -21.8150 -21.8150 -14.0974 -14.0974 -14.0837 -14.0837 -6.6067 -6.6067 -6.6024 -6.6024 -5.5808 -5.5808 -5.5770 -5.5770 -5.5652 -5.5652 6.8813 6.8813 9.7457 9.7457 10.6107 10.6107 10.7768 10.7768 10.9293 10.9293 11.3492 11.3492 11.8313 11.8313 13.6974 13.6974 14.0990 14.0990 15.2553 15.2553 16.4260 16.4260 17.2314 17.2314 17.6246 17.6246 k = 0.4400-0.2540 0.3593 ( 3246 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5046 -39.3239 -39.3239 -34.8530 -34.8530 -34.8515 -34.8515 -21.8150 -21.8150 -14.0976 -14.0976 -14.0837 -14.0837 -6.6067 -6.6067 -6.6025 -6.6025 -5.5808 -5.5808 -5.5772 -5.5772 -5.5651 -5.5651 6.8989 6.8989 9.7876 9.7876 10.6192 10.6192 10.7719 10.7719 10.9361 10.9361 11.3563 11.3563 11.7556 11.7556 13.6945 13.6945 14.1036 14.1036 15.2470 15.2470 16.4167 16.4167 17.1864 17.1864 17.5961 17.5961 k = 0.4500-0.2598 0.3674 ( 3262 PWs) bands (ev): -70.5086 -70.5086 -47.5046 -47.5046 -39.3239 -39.3239 -34.8530 -34.8530 -34.8515 -34.8515 -21.8150 -21.8150 -14.0977 -14.0977 -14.0838 -14.0838 -6.6068 -6.6068 -6.6029 -6.6029 -5.5808 -5.5808 -5.5777 -5.5777 -5.5652 -5.5652 6.9134 6.9134 9.8268 9.8268 10.6296 10.6296 10.7654 10.7654 10.9433 10.9433 11.3629 11.3629 11.6847 11.6847 13.6922 13.6922 14.1080 14.1080 15.2399 15.2399 16.4088 16.4088 17.1480 17.1480 17.5715 17.5715 k = 0.4600-0.2656 0.3756 ( 3250 PWs) bands (ev): -70.5086 -70.5086 -47.5046 -47.5046 -39.3239 -39.3239 -34.8531 -34.8531 -34.8515 -34.8515 -21.8150 -21.8150 -14.0978 -14.0978 -14.0838 -14.0838 -6.6067 -6.6067 -6.6028 -6.6028 -5.5807 -5.5807 -5.5777 -5.5777 -5.5650 -5.5650 6.9250 6.9250 9.8620 9.8620 10.6422 10.6422 10.7574 10.7574 10.9509 10.9509 11.3692 11.3692 11.6205 11.6205 13.6905 13.6905 14.1118 14.1118 15.2341 15.2341 16.4022 16.4022 17.1164 17.1164 17.5510 17.5510 k = 0.4700-0.2714 0.3838 ( 3250 PWs) bands (ev): -70.5086 -70.5086 -47.5046 -47.5046 -39.3239 -39.3239 -34.8531 -34.8531 -34.8515 -34.8515 -21.8150 -21.8150 -14.0979 -14.0979 -14.0839 -14.0839 -6.6067 -6.6067 -6.6029 -6.6029 -5.5807 -5.5807 -5.5778 -5.5778 -5.5650 -5.5650 6.9339 6.9339 9.8913 9.8913 10.6566 10.6566 10.7476 10.7476 10.9581 10.9581 11.3754 11.3754 11.5649 11.5649 13.6893 13.6893 14.1149 14.1149 15.2296 15.2296 16.3971 16.3971 17.0918 17.0918 17.5349 17.5349 k = 0.4800-0.2771 0.3919 ( 3250 PWs) bands (ev): -70.5086 -70.5086 -47.5046 -47.5046 -39.3239 -39.3239 -34.8531 -34.8531 -34.8515 -34.8515 -21.8150 -21.8150 -14.0980 -14.0980 -14.0839 -14.0839 -6.6067 -6.6067 -6.6030 -6.6030 -5.5807 -5.5807 -5.5779 -5.5779 -5.5649 -5.5649 6.9401 6.9401 9.9134 9.9134 10.6722 10.6722 10.7360 10.7360 10.9644 10.9644 11.3815 11.3815 11.5205 11.5205 13.6885 13.6885 14.1173 14.1173 15.2263 15.2263 16.3934 16.3934 17.0741 17.0741 17.5233 17.5233 k = 0.4900-0.2829 0.4001 ( 3250 PWs) bands (ev): -70.5086 -70.5086 -47.5046 -47.5046 -39.3239 -39.3239 -34.8531 -34.8531 -34.8515 -34.8515 -21.8150 -21.8150 -14.0980 -14.0980 -14.0839 -14.0839 -6.6067 -6.6067 -6.6030 -6.6030 -5.5807 -5.5807 -5.5780 -5.5780 -5.5649 -5.5649 6.9438 6.9438 9.9272 9.9272 10.6878 10.6878 10.7232 10.7232 10.9687 10.9687 11.3871 11.3871 11.4906 11.4906 13.6880 13.6880 14.1187 14.1187 15.2244 15.2244 16.3912 16.3912 17.0635 17.0635 17.5162 17.5162 k = 0.5000-0.2887 0.4082 ( 3250 PWs) bands (ev): -70.5086 -70.5086 -47.5046 -47.5046 -39.3239 -39.3239 -34.8531 -34.8531 -34.8515 -34.8515 -21.8150 -21.8150 -14.0980 -14.0980 -14.0839 -14.0839 -6.6066 -6.6066 -6.6030 -6.6030 -5.5807 -5.5807 -5.5780 -5.5780 -5.5649 -5.5649 6.9450 6.9450 9.9319 9.9319 10.6981 10.6981 10.7139 10.7139 10.9702 10.9702 11.3897 11.3897 11.4797 11.4797 13.6878 13.6878 14.1192 14.1192 15.2237 15.2237 16.3905 16.3905 17.0600 17.0600 17.5139 17.5139 k = 0.5000-0.2887 0.4082 ( 3250 PWs) bands (ev): -70.5086 -70.5086 -47.5046 -47.5046 -39.3239 -39.3239 -34.8531 -34.8531 -34.8515 -34.8515 -21.8150 -21.8150 -14.0980 -14.0980 -14.0839 -14.0839 -6.6066 -6.6066 -6.6030 -6.6030 -5.5807 -5.5807 -5.5780 -5.5780 -5.5649 -5.5649 6.9450 6.9450 9.9319 9.9319 10.6981 10.6981 10.7139 10.7139 10.9702 10.9702 11.3897 11.3897 11.4797 11.4797 13.6878 13.6878 14.1192 14.1192 15.2237 15.2237 16.3905 16.3905 17.0600 17.0600 17.5139 17.5139 k = 0.5000-0.2771 0.4164 ( 3250 PWs) bands (ev): -70.5086 -70.5086 -47.5046 -47.5046 -39.3239 -39.3239 -34.8531 -34.8531 -34.8515 -34.8514 -21.8151 -21.8149 -14.0982 -14.0978 -14.0840 -14.0839 -6.6067 -6.6066 -6.6031 -6.6029 -5.5807 -5.5806 -5.5781 -5.5779 -5.5649 -5.5648 6.9452 6.9458 9.9287 9.9356 10.6929 10.6943 10.7072 10.7304 10.9589 10.9828 11.3851 11.3928 11.4729 11.4856 13.6778 13.6882 14.1092 14.1158 15.2272 15.2289 16.3951 16.3955 17.0625 17.0695 17.5131 17.5149 k = 0.5000-0.2656 0.4246 ( 3250 PWs) bands (ev): -70.5086 -70.5086 -47.5046 -47.5046 -39.3240 -39.3238 -34.8531 -34.8531 -34.8516 -34.8514 -21.8152 -21.8148 -14.0983 -14.0977 -14.0841 -14.0839 -6.6067 -6.6065 -6.6033 -6.6027 -5.5806 -5.5805 -5.5783 -5.5777 -5.5650 -5.5648 6.9463 6.9476 9.9260 9.9398 10.6778 10.6898 10.7111 10.7485 10.9487 10.9966 11.3786 11.3949 11.4658 11.4901 13.6588 13.6778 14.0877 14.0990 15.2393 15.2426 16.4086 16.4093 17.0775 17.0905 17.5130 17.5159 k = 0.5000-0.2540 0.4327 ( 3254 PWs) bands (ev): -70.5086 -70.5086 -47.5046 -47.5046 -39.3240 -39.3238 -34.8531 -34.8531 -34.8516 -34.8513 -21.8153 -21.8148 -14.0984 -14.0975 -14.0842 -14.0839 -6.6067 -6.6065 -6.6034 -6.6026 -5.5806 -5.5805 -5.5784 -5.5776 -5.5651 -5.5648 6.9483 6.9502 9.9238 9.9446 10.6624 10.6852 10.7163 10.7673 10.9397 11.0116 11.3699 11.3961 11.4590 11.4931 13.6305 13.6550 14.0586 14.0707 15.2597 15.2643 16.4290 16.4298 17.1052 17.1222 17.5143 17.5166 k = 0.5000-0.2425 0.4409 ( 3254 PWs) bands (ev): -70.5086 -70.5086 -47.5046 -47.5046 -39.3241 -39.3237 -34.8531 -34.8531 -34.8517 -34.8512 -21.8154 -21.8147 -14.0985 -14.0973 -14.0844 -14.0839 -6.6066 -6.6064 -6.6035 -6.6025 -5.5805 -5.5803 -5.5785 -5.5774 -5.5651 -5.5647 6.9512 6.9538 9.9221 9.9500 10.6474 10.6807 10.7219 10.7867 10.9318 11.0279 11.3587 11.3967 11.4530 11.4943 13.5925 13.6180 14.0262 14.0341 15.2878 15.2934 16.4535 16.4543 17.1453 17.1626 17.5172 17.5177 k = 0.5000-0.2309 0.4491 ( 3254 PWs) bands (ev): -70.5086 -70.5086 -47.5046 -47.5046 -39.3241 -39.3237 -34.8531 -34.8531 -34.8517 -34.8512 -21.8155 -21.8146 -14.0986 -14.0971 -14.0846 -14.0840 -6.6066 -6.6062 -6.6036 -6.6023 -5.5804 -5.5802 -5.5785 -5.5772 -5.5652 -5.5647 6.9549 6.9582 9.9208 9.9560 10.6330 10.6761 10.7280 10.8066 10.9252 11.0456 11.3449 11.3968 11.4481 11.4936 13.5442 13.5656 13.9929 13.9948 15.3229 15.3295 16.4793 16.4804 17.1965 17.2081 17.5179 17.5248 k = 0.5000-0.2194 0.4572 ( 3246 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5046 -39.3241 -39.3237 -34.8531 -34.8531 -34.8518 -34.8511 -21.8156 -21.8145 -14.0986 -14.0968 -14.0848 -14.0841 -6.6064 -6.6059 -6.6035 -6.6021 -5.5801 -5.5799 -5.5785 -5.5770 -5.5652 -5.5647 6.9595 6.9634 9.9198 9.9626 10.6193 10.6717 10.7344 10.8265 10.9202 11.0647 11.3287 11.3963 11.4444 11.4910 13.4852 13.4985 13.9508 13.9668 15.3644 15.3718 16.5042 16.5062 17.2533 17.2556 17.5198 17.5370 k = 0.5000-0.2078 0.4654 ( 3242 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5046 -39.3242 -39.3236 -34.8531 -34.8531 -34.8518 -34.8511 -21.8157 -21.8144 -14.0987 -14.0966 -14.0850 -14.0842 -6.6063 -6.6056 -6.6035 -6.6020 -5.5798 -5.5797 -5.5784 -5.5767 -5.5653 -5.5646 6.9647 6.9693 9.9193 9.9697 10.6062 10.6672 10.7413 10.8454 10.9176 11.0853 11.3107 11.3954 11.4417 11.4867 13.4157 13.4187 13.9103 13.9428 15.4117 15.4196 16.5271 16.5306 17.2914 17.3164 17.5259 17.5541 k = 0.5000-0.1963 0.4736 ( 3246 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5046 -39.3242 -39.3236 -34.8532 -34.8531 -34.8518 -34.8510 -21.8158 -21.8144 -14.0987 -14.0963 -14.0853 -14.0844 -6.6063 -6.6055 -6.6035 -6.6019 -5.5798 -5.5797 -5.5782 -5.5765 -5.5654 -5.5647 6.9707 6.9758 9.9190 9.9773 10.5937 10.6629 10.7486 10.8610 10.9197 11.1073 11.2912 11.3940 11.4398 11.4808 13.3289 13.3369 13.8730 13.9224 15.4641 15.4725 16.5474 16.5532 17.3178 17.3676 17.5433 17.5715 k = 0.5000-0.1848 0.4817 ( 3230 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5046 -39.3242 -39.3235 -34.8532 -34.8531 -34.8519 -34.8510 -21.8158 -21.8143 -14.0987 -14.0960 -14.0855 -14.0846 -6.6060 -6.6050 -6.6033 -6.6016 -5.5796 -5.5793 -5.5778 -5.5761 -5.5654 -5.5645 6.9772 6.9829 9.9190 9.9855 10.5819 10.6587 10.7564 10.8699 10.9297 11.1308 11.2710 11.3921 11.4388 11.4736 13.2322 13.2505 13.8394 13.9048 15.5211 15.5297 16.5652 16.5739 17.3322 17.3963 17.5805 17.5825 k = 0.5000-0.1732 0.4899 ( 3230 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5046 -39.3243 -39.3235 -34.8532 -34.8531 -34.8519 -34.8509 -21.8159 -21.8142 -14.0987 -14.0957 -14.0858 -14.0848 -6.6060 -6.6048 -6.6032 -6.6015 -5.5796 -5.5790 -5.5775 -5.5759 -5.5655 -5.5645 6.9841 6.9904 9.9193 9.9941 10.5707 10.6546 10.7645 10.8716 10.9478 11.1559 11.2504 11.3896 11.4385 11.4653 13.1307 13.1583 13.8095 13.8894 15.5821 15.5906 16.5808 16.5928 17.3370 17.4020 17.5845 17.6332 k = 0.5000-0.1617 0.4981 ( 3226 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3243 -39.3235 -34.8532 -34.8531 -34.8519 -34.8509 -21.8160 -21.8142 -14.0987 -14.0955 -14.0861 -14.0851 -6.6060 -6.6045 -6.6031 -6.6013 -5.5796 -5.5788 -5.5771 -5.5755 -5.5656 -5.5645 6.9915 6.9983 9.9197 10.0031 10.5601 10.6507 10.7731 10.8692 10.9708 11.1825 11.2299 11.3863 11.4391 11.4564 13.0265 13.0621 13.7828 13.8757 15.6467 15.6546 16.5945 16.6104 17.3348 17.3934 17.5792 17.6831 k = 0.5000-0.1501 0.5062 ( 3224 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3243 -39.3234 -34.8532 -34.8531 -34.8519 -34.8508 -21.8161 -21.8141 -14.0986 -14.0951 -14.0865 -14.0853 -6.6060 -6.6042 -6.6029 -6.6011 -5.5797 -5.5786 -5.5767 -5.5752 -5.5656 -5.5645 6.9990 7.0064 9.9204 10.0125 10.5502 10.6470 10.7821 10.8645 10.9965 11.2101 11.2107 11.3821 11.4405 11.4475 12.9211 12.9637 13.7591 13.8633 15.7142 15.7211 16.6067 16.6268 17.3274 17.3763 17.5692 17.6960 k = 0.5000-0.1386 0.5144 ( 3218 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3244 -39.3234 -34.8532 -34.8531 -34.8519 -34.8508 -21.8162 -21.8140 -14.0986 -14.0948 -14.0868 -14.0856 -6.6059 -6.6038 -6.6026 -6.6010 -5.5797 -5.5784 -5.5761 -5.5748 -5.5657 -5.5645 7.0067 7.0146 9.9212 10.0222 10.5410 10.6436 10.7914 10.8584 11.0239 11.1914 11.2404 11.3768 11.4393 11.4429 12.8157 12.8644 13.7379 13.8520 15.7843 15.7895 16.6177 16.6424 17.3155 17.3532 17.5563 17.6969 k = 0.5000-0.1270 0.5226 ( 3218 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3244 -39.3234 -34.8532 -34.8531 -34.8520 -34.8507 -21.8162 -21.8140 -14.0985 -14.0945 -14.0871 -14.0859 -6.6060 -6.6035 -6.6024 -6.6009 -5.5798 -5.5782 -5.5756 -5.5744 -5.5659 -5.5646 7.0144 7.0228 9.9220 10.0320 10.5324 10.6404 10.8010 10.8512 11.0521 11.1744 11.2708 11.3706 11.4323 11.4466 12.7112 12.7651 13.7191 13.8418 15.8564 15.8591 16.6275 16.6572 17.2996 17.3253 17.5419 17.6971 k = 0.5000-0.1155 0.5307 ( 3222 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3244 -39.3233 -34.8532 -34.8532 -34.8520 -34.8507 -21.8163 -21.8139 -14.0984 -14.0942 -14.0874 -14.0862 -6.6061 -6.6033 -6.6023 -6.6009 -5.5799 -5.5781 -5.5753 -5.5741 -5.5661 -5.5647 7.0220 7.0308 9.9229 10.0418 10.5245 10.6375 10.8108 10.8429 11.0802 11.1598 11.3000 11.3654 11.4274 11.4521 12.6083 12.6668 13.7023 13.8325 15.9293 15.9300 16.6362 16.6716 17.2797 17.2932 17.5269 17.6975 k = 0.5000-0.1039 0.5389 ( 3214 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3244 -39.3233 -34.8532 -34.8532 -34.8520 -34.8506 -21.8163 -21.8139 -14.0983 -14.0938 -14.0877 -14.0865 -6.6060 -6.6030 -6.6020 -6.6007 -5.5798 -5.5779 -5.5747 -5.5736 -5.5662 -5.5647 7.0293 7.0386 9.9239 10.0515 10.5174 10.6350 10.8207 10.8337 11.1053 11.1502 11.3199 11.3683 11.4258 11.4598 12.5078 12.5702 13.6875 13.8241 15.9993 16.0046 16.6440 16.6858 17.2558 17.2574 17.5120 17.6981 k = 0.5000-0.0924 0.5471 ( 3220 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3245 -39.3233 -34.8533 -34.8532 -34.8520 -34.8506 -21.8164 -21.8139 -14.0983 -14.0935 -14.0881 -14.0869 -6.6060 -6.6028 -6.6019 -6.6007 -5.5799 -5.5778 -5.5744 -5.5734 -5.5664 -5.5648 7.0363 7.0459 9.9248 10.0610 10.5109 10.6329 10.8239 10.8306 11.1166 11.1558 11.3210 11.3848 11.4321 11.4704 12.4099 12.4757 13.6746 13.8166 16.0682 16.0796 16.6508 16.7000 17.2183 17.2279 17.4979 17.6989 k = 0.5000-0.0808 0.5552 ( 3224 PWs) bands (ev): -70.5085 -70.5085 -47.5047 -47.5045 -39.3245 -39.3233 -34.8533 -34.8532 -34.8520 -34.8506 -21.8164 -21.8138 -14.0982 -14.0932 -14.0884 -14.0873 -6.6061 -6.6026 -6.6018 -6.6007 -5.5800 -5.5778 -5.5740 -5.5731 -5.5666 -5.5650 7.0428 7.0527 9.9257 10.0700 10.5051 10.6311 10.8136 10.8402 11.1126 11.1772 11.3127 11.3963 11.4559 11.4850 12.3151 12.3839 13.6633 13.8100 16.1351 16.1546 16.6563 16.7146 17.1762 17.1962 17.4851 17.6998 k = 0.5000-0.0693 0.5634 ( 3220 PWs) bands (ev): -70.5085 -70.5085 -47.5047 -47.5045 -39.3245 -39.3233 -34.8533 -34.8532 -34.8520 -34.8505 -21.8165 -21.8138 -14.0981 -14.0928 -14.0886 -14.0876 -6.6062 -6.6023 -6.6016 -6.6007 -5.5801 -5.5777 -5.5735 -5.5727 -5.5668 -5.5651 7.0487 7.0589 9.9266 10.0785 10.5001 10.6298 10.8034 10.8494 11.1059 11.2009 11.3022 11.3993 11.4941 11.5048 12.2239 12.2952 13.6537 13.8043 16.1988 16.2290 16.6604 16.7299 17.1319 17.1610 17.4738 17.7007 k = 0.5000-0.0577 0.5715 ( 3216 PWs) bands (ev): -70.5085 -70.5085 -47.5047 -47.5045 -39.3245 -39.3232 -34.8533 -34.8532 -34.8520 -34.8505 -21.8165 -21.8138 -14.0980 -14.0925 -14.0889 -14.0879 -6.6061 -6.6020 -6.6014 -6.6006 -5.5801 -5.5776 -5.5731 -5.5723 -5.5669 -5.5651 7.0538 7.0643 9.9273 10.0861 10.4959 10.6289 10.7936 10.8578 11.0998 11.2222 11.2916 11.3995 11.5305 11.5392 12.1365 12.2097 13.6456 13.7994 16.2578 16.3018 16.6627 16.7465 17.0862 17.1229 17.4641 17.7016 k = 0.5000-0.0462 0.5797 ( 3228 PWs) bands (ev): -70.5085 -70.5085 -47.5047 -47.5045 -39.3245 -39.3232 -34.8533 -34.8533 -34.8520 -34.8505 -21.8166 -21.8137 -14.0979 -14.0922 -14.0891 -14.0883 -6.6063 -6.6020 -6.6014 -6.6008 -5.5803 -5.5776 -5.5729 -5.5722 -5.5672 -5.5653 7.0582 7.0689 9.9279 10.0926 10.4923 10.6283 10.7846 10.8653 11.0948 11.2398 11.2818 11.3991 11.5630 11.5885 12.0531 12.1278 13.6390 13.7954 16.3103 16.3723 16.6625 16.7652 17.0404 17.0827 17.4562 17.7024 k = 0.5000-0.0346 0.5879 ( 3226 PWs) bands (ev): -70.5085 -70.5085 -47.5047 -47.5045 -39.3245 -39.3232 -34.8533 -34.8533 -34.8520 -34.8505 -21.8166 -21.8137 -14.0978 -14.0919 -14.0892 -14.0886 -6.6063 -6.6018 -6.6013 -6.6008 -5.5803 -5.5776 -5.5725 -5.5720 -5.5673 -5.5654 7.0617 7.0725 9.9284 10.0979 10.4896 10.6280 10.7771 10.8716 11.0911 11.2533 11.2736 11.3986 11.6025 11.6412 11.9742 12.0498 13.6340 13.7924 16.3542 16.4392 16.6584 16.7863 16.9969 17.0419 17.4500 17.7031 k = 0.5000-0.0231 0.5960 ( 3230 PWs) bands (ev): -70.5085 -70.5085 -47.5047 -47.5045 -39.3245 -39.3232 -34.8533 -34.8533 -34.8520 -34.8505 -21.8166 -21.8137 -14.0978 -14.0916 -14.0894 -14.0889 -6.6064 -6.6017 -6.6012 -6.6009 -5.5803 -5.5776 -5.5723 -5.5718 -5.5675 -5.5655 7.0642 7.0752 9.9288 10.1018 10.4877 10.6278 10.7713 10.8763 11.0885 11.2626 11.2674 11.3981 11.6486 11.6964 11.9001 11.9766 13.6304 13.7901 16.3875 16.5007 16.6485 16.8097 16.9592 17.0026 17.4455 17.7036 k = 0.5000-0.0115 0.6042 ( 3242 PWs) bands (ev): -70.5085 -70.5085 -47.5047 -47.5045 -39.3246 -39.3232 -34.8533 -34.8533 -34.8520 -34.8505 -21.8166 -21.8137 -14.0978 -14.0914 -14.0895 -14.0891 -6.6065 -6.6017 -6.6013 -6.6010 -5.5805 -5.5777 -5.5723 -5.5718 -5.5678 -5.5657 7.0657 7.0768 9.9290 10.1042 10.4864 10.6277 10.7677 10.8792 11.0869 11.2634 11.2680 11.3978 11.6999 11.7513 11.8321 11.9107 13.6283 13.7888 16.4083 16.5544 16.6297 16.8321 16.9327 16.9700 17.4429 17.7039 k = 0.5000-0.0000 0.6124 ( 3248 PWs) bands (ev): -70.5086 -70.5085 -47.5047 -47.5045 -39.3246 -39.3232 -34.8533 -34.8533 -34.8520 -34.8505 -21.8166 -21.8137 -14.0978 -14.0914 -14.0895 -14.0891 -6.6065 -6.6018 -6.6014 -6.6011 -5.5805 -5.5777 -5.5724 -5.5720 -5.5678 -5.5657 7.0662 7.0773 9.9291 10.1050 10.4860 10.6277 10.7664 10.8802 11.0864 11.2621 11.2697 11.3977 11.7404 11.7852 11.7860 11.8732 13.6275 13.7883 16.4153 16.5920 16.6046 16.8429 16.9230 16.9555 17.4420 17.7040 k = 0.5000-0.0000 0.6124 ( 3248 PWs) bands (ev): -70.5086 -70.5085 -47.5047 -47.5045 -39.3246 -39.3232 -34.8533 -34.8533 -34.8520 -34.8505 -21.8166 -21.8137 -14.0978 -14.0914 -14.0895 -14.0891 -6.6065 -6.6018 -6.6014 -6.6011 -5.5805 -5.5777 -5.5724 -5.5720 -5.5678 -5.5657 7.0662 7.0773 9.9291 10.1050 10.4860 10.6277 10.7664 10.8802 11.0864 11.2621 11.2697 11.3977 11.7404 11.7852 11.7860 11.8732 13.6275 13.7883 16.4153 16.5920 16.6046 16.8429 16.9230 16.9555 17.4420 17.7040 k = 0.4931 0.0120 0.6124 ( 3247 PWs) bands (ev): -70.5085 -70.5085 -47.5047 -47.5045 -39.3246 -39.3232 -34.8533 -34.8533 -34.8520 -34.8505 -21.8166 -21.8137 -14.0978 -14.0914 -14.0895 -14.0891 -6.6065 -6.6018 -6.6014 -6.6010 -5.5805 -5.5777 -5.5724 -5.5720 -5.5678 -5.5657 7.0659 7.0770 9.9293 10.1049 10.4841 10.6255 10.7677 10.8804 11.0863 11.2570 11.2701 11.3928 11.7140 11.7669 11.8198 11.9002 13.6281 13.7886 16.4103 16.5664 16.6244 16.8410 16.9258 16.9661 17.4437 17.7044 k = 0.4861 0.0241 0.6124 ( 3227 PWs) bands (ev): -70.5085 -70.5085 -47.5047 -47.5045 -39.3245 -39.3232 -34.8533 -34.8532 -34.8520 -34.8505 -21.8166 -21.8137 -14.0978 -14.0915 -14.0894 -14.0889 -6.6063 -6.6016 -6.6011 -6.6008 -5.5803 -5.5775 -5.5722 -5.5717 -5.5675 -5.5655 7.0650 7.0763 9.9302 10.1046 10.4788 10.6195 10.7710 10.8819 11.0851 11.2434 11.2695 11.3807 11.6776 11.7361 11.8781 11.9544 13.6297 13.7892 16.3945 16.5253 16.6508 16.8370 16.9399 16.9900 17.4483 17.7055 k = 0.4792 0.0361 0.6124 ( 3230 PWs) bands (ev): -70.5085 -70.5085 -47.5047 -47.5045 -39.3245 -39.3232 -34.8533 -34.8532 -34.8520 -34.8505 -21.8166 -21.8137 -14.0978 -14.0917 -14.0894 -14.0887 -6.6063 -6.6017 -6.6012 -6.6008 -5.5803 -5.5775 -5.5724 -5.5718 -5.5675 -5.5655 7.0637 7.0752 9.9316 10.1043 10.4710 10.6105 10.7752 10.8849 11.0815 11.2234 11.2656 11.3654 11.6448 11.7083 11.9445 12.0174 13.6324 13.7901 16.3679 16.4763 16.6804 16.8352 16.9654 17.0202 17.4548 17.7070 k = 0.4722 0.0481 0.6124 ( 3228 PWs) bands (ev): -70.5085 -70.5085 -47.5047 -47.5045 -39.3245 -39.3232 -34.8533 -34.8532 -34.8520 -34.8505 -21.8166 -21.8137 -14.0979 -14.0919 -14.0894 -14.0884 -6.6062 -6.6018 -6.6012 -6.6008 -5.5802 -5.5775 -5.5725 -5.5719 -5.5674 -5.5655 7.0619 7.0739 9.9339 10.1041 10.4617 10.5995 10.7795 10.8893 11.0735 11.1993 11.2570 11.3517 11.6172 11.6853 12.0148 12.0846 13.6361 13.7914 16.3316 16.4224 16.7138 16.8389 16.9982 17.0540 17.4626 17.7088 k = 0.4653 0.0601 0.6124 ( 3222 PWs) bands (ev): -70.5085 -70.5085 -47.5047 -47.5045 -39.3245 -39.3232 -34.8534 -34.8532 -34.8520 -34.8505 -21.8166 -21.8137 -14.0979 -14.0921 -14.0893 -14.0882 -6.6061 -6.6018 -6.6011 -6.6007 -5.5800 -5.5773 -5.5726 -5.5720 -5.5673 -5.5654 7.0600 7.0723 9.9369 10.1041 10.4521 10.5871 10.7833 10.8947 11.0585 11.1745 11.2438 11.3424 11.5952 11.6666 12.0866 12.1539 13.6409 13.7928 16.2877 16.3662 16.7512 16.8492 17.0350 17.0901 17.4712 17.7107 k = 0.4583 0.0722 0.6124 ( 3216 PWs) bands (ev): -70.5085 -70.5085 -47.5047 -47.5045 -39.3245 -39.3232 -34.8534 -34.8532 -34.8520 -34.8505 -21.8165 -21.8137 -14.0980 -14.0923 -14.0892 -14.0879 -6.6059 -6.6019 -6.6011 -6.6006 -5.5798 -5.5772 -5.5728 -5.5721 -5.5671 -5.5652 7.0578 7.0706 9.9408 10.1042 10.4432 10.5742 10.7858 10.9004 11.0346 11.1514 11.2284 11.3380 11.5781 11.6511 12.1579 12.2237 13.6466 13.7943 16.2384 16.3093 16.7924 16.8657 17.0738 17.1279 17.4801 17.7127 k = 0.4514 0.0842 0.6124 ( 3220 PWs) bands (ev): -70.5085 -70.5085 -47.5047 -47.5045 -39.3245 -39.3232 -34.8534 -34.8531 -34.8520 -34.8505 -21.8165 -21.8138 -14.0980 -14.0925 -14.0891 -14.0876 -6.6059 -6.6020 -6.6012 -6.6006 -5.5798 -5.5772 -5.5730 -5.5723 -5.5670 -5.5652 7.0555 7.0689 9.9453 10.1042 10.4355 10.5614 10.7861 10.9061 11.0025 11.1300 11.2146 11.3369 11.5653 11.6379 12.2273 12.2930 13.6534 13.7959 16.1860 16.2527 16.8372 16.8874 17.1134 17.1669 17.4889 17.7147 k = 0.4444 0.0962 0.6124 ( 3224 PWs) bands (ev): -70.5085 -70.5085 -47.5047 -47.5045 -39.3245 -39.3233 -34.8534 -34.8531 -34.8520 -34.8506 -21.8165 -21.8138 -14.0981 -14.0927 -14.0890 -14.0874 -6.6058 -6.6022 -6.6012 -6.6006 -5.5797 -5.5771 -5.5733 -5.5725 -5.5670 -5.5651 7.0532 7.0671 9.9505 10.1041 10.4300 10.5494 10.7831 10.9115 10.9649 11.1095 11.2048 11.3378 11.5560 11.6265 12.2936 12.3606 13.6611 13.7976 16.1326 16.1975 16.8850 16.9134 17.1527 17.2068 17.4974 17.7168 k = 0.4375 0.1083 0.6124 ( 3224 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3245 -39.3233 -34.8534 -34.8531 -34.8520 -34.8506 -21.8165 -21.8138 -14.0982 -14.0928 -14.0889 -14.0871 -6.6057 -6.6023 -6.6013 -6.6006 -5.5796 -5.5770 -5.5735 -5.5727 -5.5669 -5.5651 7.0509 7.0653 9.9562 10.1038 10.4269 10.5389 10.7760 10.9163 10.9248 11.0902 11.1990 11.3401 11.5493 11.6165 12.3558 12.4256 13.6696 13.7991 16.0796 16.1444 16.9335 16.9444 17.1910 17.2476 17.5055 17.7191 k = 0.4306 0.1203 0.6124 ( 3226 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3245 -39.3233 -34.8534 -34.8531 -34.8520 -34.8506 -21.8165 -21.8138 -14.0983 -14.0930 -14.0888 -14.0869 -6.6056 -6.6025 -6.6014 -6.6006 -5.5795 -5.5770 -5.5738 -5.5729 -5.5668 -5.5650 7.0488 7.0637 9.9622 10.1030 10.4267 10.5304 10.7640 10.8838 10.9208 11.0735 11.1962 11.3430 11.5446 11.6075 12.4133 12.4868 13.6789 13.8005 16.0287 16.0942 16.9694 16.9916 17.2275 17.2888 17.5131 17.7221 k = 0.4236 0.1323 0.6124 ( 3227 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3245 -39.3233 -34.8534 -34.8530 -34.8520 -34.8506 -21.8164 -21.8138 -14.0983 -14.0931 -14.0887 -14.0867 -6.6054 -6.6027 -6.6014 -6.6005 -5.5794 -5.5769 -5.5741 -5.5732 -5.5667 -5.5649 7.0467 7.0621 9.9684 10.1019 10.4295 10.5242 10.7473 10.8435 10.9249 11.0602 11.1952 11.3462 11.5415 11.5993 12.4654 12.5434 13.6887 13.8016 15.9808 16.0475 17.0000 17.0458 17.2616 17.3299 17.5207 17.7260 k = 0.4167 0.1443 0.6124 ( 3222 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3245 -39.3233 -34.8534 -34.8530 -34.8520 -34.8506 -21.8164 -21.8138 -14.0984 -14.0933 -14.0886 -14.0865 -6.6053 -6.6027 -6.6014 -6.6005 -5.5792 -5.5767 -5.5742 -5.5734 -5.5666 -5.5648 7.0449 7.0607 9.9746 10.1005 10.4353 10.5208 10.7266 10.8048 10.9287 11.0504 11.1952 11.3495 11.5397 11.5920 12.5115 12.5944 13.6987 13.8023 15.9370 16.0052 17.0289 17.1008 17.2927 17.3690 17.5296 17.7316 k = 0.4097 0.1564 0.6124 ( 3226 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3245 -39.3233 -34.8534 -34.8530 -34.8520 -34.8506 -21.8164 -21.8138 -14.0985 -14.0934 -14.0886 -14.0864 -6.6052 -6.6029 -6.6015 -6.6005 -5.5791 -5.5766 -5.5745 -5.5736 -5.5666 -5.5648 7.0433 7.0594 9.9805 10.0988 10.4438 10.5202 10.7030 10.7682 10.9321 11.0437 11.1958 11.3526 11.5388 11.5854 12.5513 12.6391 13.7087 13.8027 15.8983 15.9679 17.0553 17.1553 17.3201 17.4024 17.5426 17.7392 k = 0.4028 0.1684 0.6124 ( 3222 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3245 -39.3233 -34.8534 -34.8530 -34.8520 -34.8507 -21.8164 -21.8139 -14.0985 -14.0935 -14.0885 -14.0863 -6.6050 -6.6030 -6.6015 -6.6005 -5.5790 -5.5764 -5.5746 -5.5738 -5.5665 -5.5647 7.0419 7.0584 9.9858 10.0969 10.4545 10.5227 10.6783 10.7346 10.9352 11.0393 11.1966 11.3555 11.5388 11.5796 12.5843 12.6766 13.7183 13.8025 15.8654 15.9363 17.0782 17.2078 17.3432 17.4245 17.5644 17.7494 k = 0.3958 0.1804 0.6124 ( 3218 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3245 -39.3233 -34.8534 -34.8530 -34.8520 -34.8507 -21.8164 -21.8139 -14.0985 -14.0935 -14.0884 -14.0861 -6.6048 -6.6031 -6.6014 -6.6005 -5.5788 -5.5762 -5.5748 -5.5739 -5.5664 -5.5646 7.0408 7.0576 9.9904 10.0952 10.4666 10.5282 10.6540 10.7051 10.9378 11.0365 11.1974 11.3579 11.5393 11.5746 12.6102 12.7064 13.7268 13.8019 15.8390 15.9111 17.0968 17.2567 17.3615 17.4321 17.5965 17.7617 k = 0.3889 0.1925 0.6124 ( 3218 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3245 -39.3233 -34.8534 -34.8530 -34.8520 -34.8507 -21.8164 -21.8139 -14.0986 -14.0936 -14.0884 -14.0861 -6.6047 -6.6032 -6.6014 -6.6005 -5.5788 -5.5760 -5.5750 -5.5740 -5.5664 -5.5646 7.0400 7.0570 9.9938 10.0937 10.4783 10.5360 10.6316 10.6811 10.9397 11.0349 11.1981 11.3596 11.5400 11.5706 12.6289 12.7281 13.7337 13.8011 15.8197 15.8927 17.1104 17.3003 17.3743 17.4276 17.6345 17.7746 k = 0.3819 0.2045 0.6124 ( 3218 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3245 -39.3233 -34.8534 -34.8530 -34.8520 -34.8507 -21.8164 -21.8139 -14.0986 -14.0936 -14.0884 -14.0860 -6.6046 -6.6033 -6.6015 -6.6005 -5.5788 -5.5759 -5.5751 -5.5740 -5.5663 -5.5646 7.0396 7.0566 9.9959 10.0928 10.4873 10.5444 10.6140 10.6648 10.9409 11.0340 11.1985 11.3608 11.5407 11.5680 12.6402 12.7412 13.7382 13.8004 15.8080 15.8814 17.1188 17.3359 17.3806 17.4163 17.6700 17.7854 k = 0.3750 0.2165 0.6124 ( 3212 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3244 -39.3233 -34.8534 -34.8529 -34.8520 -34.8507 -21.8164 -21.8139 -14.0986 -14.0936 -14.0884 -14.0860 -6.6045 -6.6033 -6.6014 -6.6004 -5.5787 -5.5758 -5.5751 -5.5740 -5.5663 -5.5645 7.0394 7.0565 9.9967 10.0925 10.4908 10.5487 10.6066 10.6590 10.9413 11.0338 11.1987 11.3612 11.5410 11.5670 12.6440 12.7457 13.7398 13.8001 15.8040 15.8777 17.1216 17.3539 17.3800 17.4092 17.6871 17.7922 k = 0.3750 0.2165 0.6124 ( 3212 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3244 -39.3233 -34.8534 -34.8529 -34.8520 -34.8507 -21.8164 -21.8139 -14.0986 -14.0936 -14.0884 -14.0860 -6.6045 -6.6033 -6.6014 -6.6004 -5.5787 -5.5758 -5.5751 -5.5740 -5.5663 -5.5645 7.0394 7.0565 9.9967 10.0925 10.4908 10.5487 10.6066 10.6590 10.9413 11.0338 11.1987 11.3612 11.5410 11.5670 12.6440 12.7457 13.7398 13.8001 15.8040 15.8777 17.1216 17.3539 17.3800 17.4092 17.6871 17.7922 k = 0.3679 0.2124 0.6008 ( 3220 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3245 -39.3233 -34.8534 -34.8529 -34.8520 -34.8507 -21.8164 -21.8138 -14.0986 -14.0934 -14.0886 -14.0861 -6.6046 -6.6031 -6.6011 -6.6004 -5.5787 -5.5756 -5.5748 -5.5738 -5.5665 -5.5646 7.0440 7.0626 10.0104 10.1088 10.4699 10.5142 10.5761 10.6197 10.9213 11.0250 11.2092 11.3589 11.5549 11.6028 12.6162 12.7025 13.7374 13.8005 15.8599 15.9366 17.1001 17.3649 17.3746 17.3977 17.7577 17.8336 k = 0.3608 0.2083 0.5893 ( 3222 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3245 -39.3233 -34.8534 -34.8529 -34.8520 -34.8507 -21.8164 -21.8138 -14.0985 -14.0933 -14.0887 -14.0863 -6.6046 -6.6029 -6.6008 -6.6004 -5.5787 -5.5755 -5.5743 -5.5735 -5.5667 -5.5647 7.0471 7.0673 10.0252 10.1257 10.4458 10.4745 10.5306 10.5873 10.9079 11.0183 11.2196 11.3564 11.5716 11.6395 12.5966 12.6660 13.7372 13.8032 15.9189 15.9985 17.0786 17.3608 17.3641 17.3853 17.7784 17.9343 k = 0.3538 0.2043 0.5777 ( 3222 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3245 -39.3233 -34.8535 -34.8529 -34.8520 -34.8507 -21.8164 -21.8138 -14.0985 -14.0932 -14.0888 -14.0863 -6.6046 -6.6026 -6.6005 -6.6004 -5.5786 -5.5753 -5.5739 -5.5731 -5.5669 -5.5648 7.0486 7.0704 10.0410 10.1429 10.4089 10.4410 10.4730 10.5610 10.9005 11.0138 11.2289 11.3537 11.5914 11.6768 12.5846 12.6360 13.7394 13.8080 15.9812 16.0634 17.0574 17.3416 17.3554 17.3728 17.7871 18.0177 k = 0.3467 0.2002 0.5662 ( 3222 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3245 -39.3233 -34.8535 -34.8529 -34.8520 -34.8507 -21.8164 -21.8138 -14.0984 -14.0932 -14.0888 -14.0864 -6.6045 -6.6024 -6.6003 -6.6002 -5.5786 -5.5752 -5.5734 -5.5728 -5.5670 -5.5649 7.0480 7.0714 10.0575 10.1599 10.3572 10.4095 10.4180 10.5368 10.8982 11.0113 11.2365 11.3509 11.6144 11.7143 12.5795 12.6122 13.7437 13.8150 16.0468 16.1313 17.0367 17.3194 17.3414 17.3595 17.7947 18.0467 k = 0.3396 0.1961 0.5546 ( 3214 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3245 -39.3233 -34.8535 -34.8529 -34.8520 -34.8507 -21.8164 -21.8138 -14.0983 -14.0932 -14.0887 -14.0864 -6.6044 -6.6021 -6.6002 -6.5998 -5.5784 -5.5750 -5.5729 -5.5724 -5.5671 -5.5649 7.0451 7.0701 10.0742 10.1758 10.3007 10.3438 10.3988 10.5135 10.8997 11.0100 11.2421 11.3481 11.6404 11.7520 12.5807 12.5946 13.7503 13.8241 16.1158 16.2023 17.0166 17.2953 17.3237 17.3449 17.8032 18.0643 k = 0.3325 0.1920 0.5430 ( 3210 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3245 -39.3233 -34.8535 -34.8529 -34.8520 -34.8507 -21.8164 -21.8138 -14.0983 -14.0933 -14.0886 -14.0864 -6.6044 -6.6019 -6.6001 -6.5995 -5.5783 -5.5749 -5.5725 -5.5720 -5.5672 -5.5650 7.0395 7.0661 10.0902 10.1864 10.2462 10.2790 10.3823 10.4908 10.9038 11.0097 11.2456 11.3453 11.6693 11.7895 12.5828 12.5874 13.7590 13.8352 16.1880 16.2762 16.9973 17.2702 17.3033 17.3289 17.8135 18.0784 k = 0.3255 0.1879 0.5315 ( 3220 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3245 -39.3233 -34.8535 -34.8528 -34.8520 -34.8507 -21.8164 -21.8138 -14.0982 -14.0934 -14.0884 -14.0864 -6.6044 -6.6019 -6.6002 -6.5993 -5.5783 -5.5749 -5.5722 -5.5718 -5.5675 -5.5652 7.0308 7.0589 10.1021 10.1661 10.2198 10.2199 10.3696 10.4687 10.9098 11.0097 11.2471 11.3425 11.7010 11.8267 12.5766 12.5991 13.7698 13.8484 16.2633 16.3531 16.9790 17.2443 17.2809 17.3116 17.8260 18.0915 k = 0.3184 0.1838 0.5199 ( 3220 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3245 -39.3233 -34.8535 -34.8528 -34.8520 -34.8507 -21.8164 -21.8138 -14.0981 -14.0935 -14.0882 -14.0864 -6.6044 -6.6018 -6.6001 -6.5990 -5.5783 -5.5749 -5.5718 -5.5715 -5.5677 -5.5653 7.0188 7.0482 10.0965 10.1140 10.1808 10.2223 10.3624 10.4476 10.9170 11.0101 11.2467 11.3397 11.7355 11.8640 12.5758 12.6152 13.7827 13.8636 16.3415 16.4326 16.9618 17.2181 17.2570 17.2930 17.8412 18.1048 k = 0.3113 0.1797 0.5084 ( 3214 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3245 -39.3233 -34.8534 -34.8528 -34.8520 -34.8508 -21.8164 -21.8137 -14.0980 -14.0936 -14.0879 -14.0863 -6.6043 -6.6018 -6.6000 -6.5988 -5.5782 -5.5749 -5.5714 -5.5712 -5.5677 -5.5654 7.0031 7.0337 10.0586 10.0597 10.1775 10.2233 10.3625 10.4277 10.9248 11.0105 11.2446 11.3371 11.7726 11.9012 12.5801 12.6353 13.7977 13.8807 16.4222 16.5145 16.9458 17.1917 17.2321 17.2734 17.8592 18.1187 k = 0.3042 0.1757 0.4968 ( 3218 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3245 -39.3233 -34.8534 -34.8528 -34.8520 -34.8508 -21.8163 -21.8137 -14.0979 -14.0937 -14.0876 -14.0862 -6.6043 -6.6018 -6.5999 -6.5986 -5.5781 -5.5749 -5.5711 -5.5711 -5.5678 -5.5656 6.9836 7.0152 10.0079 10.0087 10.1901 10.2187 10.3700 10.4095 10.9329 11.0107 11.2408 11.3344 11.8120 11.9385 12.5893 12.6589 13.8146 13.8997 16.5046 16.5981 16.9313 17.1654 17.2070 17.2532 17.8801 18.1337 k = 0.2972 0.1716 0.4853 ( 3220 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3245 -39.3233 -34.8534 -34.8528 -34.8520 -34.8508 -21.8163 -21.8137 -14.0977 -14.0938 -14.0873 -14.0861 -6.6043 -6.6019 -6.5999 -6.5985 -5.5781 -5.5750 -5.5710 -5.5709 -5.5680 -5.5657 6.9599 6.9923 9.9598 9.9601 10.2056 10.2096 10.3832 10.3937 10.9409 11.0107 11.2357 11.3317 11.8537 11.9760 12.6031 12.6857 13.8334 13.9206 16.5873 16.6825 16.9186 17.1398 17.1827 17.2328 17.9039 18.1498 k = 0.2901 0.1675 0.4737 ( 3220 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3245 -39.3234 -34.8534 -34.8528 -34.8520 -34.8509 -21.8162 -21.8137 -14.0976 -14.0939 -14.0869 -14.0859 -6.6043 -6.6019 -6.5998 -6.5983 -5.5780 -5.5750 -5.5709 -5.5706 -5.5680 -5.5659 6.9320 6.9649 9.9151 9.9169 10.1978 10.2205 10.3811 10.4001 10.9487 11.0104 11.2294 11.3291 11.8976 12.0141 12.6213 12.7154 13.8541 13.9432 16.6677 16.7657 16.9084 17.1157 17.1610 17.2133 17.9305 18.1673 k = 0.2830 0.1634 0.4622 ( 3216 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3245 -39.3234 -34.8533 -34.8527 -34.8520 -34.8509 -21.8162 -21.8137 -14.0974 -14.0939 -14.0866 -14.0857 -6.6042 -6.6020 -6.5998 -6.5982 -5.5779 -5.5750 -5.5709 -5.5704 -5.5680 -5.5660 6.8998 6.9329 9.8758 9.8788 10.1846 10.2324 10.3732 10.4189 10.9560 11.0099 11.2221 11.3264 11.9436 12.0530 12.6437 12.7479 13.8766 13.9675 16.7400 16.8434 16.9026 17.0955 17.1454 17.1965 17.9598 18.1862 k = 0.2759 0.1593 0.4506 ( 3220 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3245 -39.3234 -34.8533 -34.8527 -34.8520 -34.8509 -21.8161 -21.8137 -14.0972 -14.0939 -14.0862 -14.0856 -6.6042 -6.6021 -6.5998 -6.5981 -5.5779 -5.5752 -5.5710 -5.5702 -5.5681 -5.5662 6.8633 6.8963 9.8426 9.8461 10.1711 10.2396 10.3712 10.4386 10.9629 11.0089 11.2138 11.3236 11.9915 12.0930 12.6700 12.7828 13.9007 13.9934 16.7931 16.9049 16.9050 17.0845 17.1433 17.1872 17.9914 18.2064 k = 0.2689 0.1552 0.4391 ( 3222 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3245 -39.3234 -34.8533 -34.8527 -34.8520 -34.8510 -21.8160 -21.8137 -14.0969 -14.0939 -14.0859 -14.0853 -6.6042 -6.6023 -6.5998 -6.5981 -5.5779 -5.5753 -5.5711 -5.5701 -5.5681 -5.5664 6.8226 6.8553 9.8155 9.8189 10.1578 10.2413 10.3756 10.4584 10.9693 11.0076 11.2049 11.3208 12.0415 12.1343 12.7001 12.8203 13.9265 14.0209 16.8164 16.9139 16.9337 17.0853 17.1657 17.1990 18.0250 18.2278 k = 0.2618 0.1511 0.4275 ( 3216 PWs) bands (ev): -70.5085 -70.5085 -47.5045 -47.5044 -39.3245 -39.3234 -34.8532 -34.8527 -34.8520 -34.8510 -21.8160 -21.8137 -14.0966 -14.0938 -14.0855 -14.0851 -6.6041 -6.6024 -6.5998 -6.5980 -5.5777 -5.5753 -5.5712 -5.5699 -5.5680 -5.5666 6.7780 6.8100 9.7947 9.7973 10.1451 10.2385 10.3855 10.4779 10.9752 11.0060 11.1955 11.3178 12.0936 12.1774 12.7338 12.8601 13.9539 14.0499 16.8185 16.9155 16.9295 17.0830 17.2174 17.2462 18.0600 18.2503 k = 0.2547 0.1471 0.4160 ( 3226 PWs) bands (ev): -70.5085 -70.5085 -47.5045 -47.5044 -39.3244 -39.3235 -34.8532 -34.8526 -34.8520 -34.8511 -21.8159 -21.8138 -14.0964 -14.0937 -14.0852 -14.0849 -6.6042 -6.6027 -6.5999 -6.5981 -5.5779 -5.5757 -5.5715 -5.5699 -5.5681 -5.5669 6.7295 6.7606 9.7799 9.7810 10.1333 10.2328 10.3987 10.4963 10.9806 11.0039 11.1857 11.3146 12.1475 12.2223 12.7709 12.9023 13.9827 14.0803 16.8110 16.9057 16.9089 17.0718 17.2894 17.3170 18.0957 18.2736 k = 0.2476 0.1430 0.4044 ( 3230 PWs) bands (ev): -70.5085 -70.5085 -47.5045 -47.5044 -39.3244 -39.3235 -34.8532 -34.8526 -34.8520 -34.8511 -21.8158 -21.8138 -14.0960 -14.0936 -14.0849 -14.0847 -6.6043 -6.6029 -6.6000 -6.5982 -5.5779 -5.5759 -5.5717 -5.5699 -5.5682 -5.5671 6.6776 6.7076 9.7700 9.7711 10.1224 10.2258 10.4138 10.5136 10.9855 11.0015 11.1757 11.3112 12.2035 12.2694 12.8114 12.9468 14.0129 14.1119 16.7979 16.8815 16.8907 17.0567 17.3704 17.3954 18.1311 18.2977 k = 0.2406 0.1389 0.3928 ( 3210 PWs) bands (ev): -70.5085 -70.5085 -47.5045 -47.5044 -39.3244 -39.3235 -34.8531 -34.8526 -34.8520 -34.8512 -21.8157 -21.8137 -14.0956 -14.0934 -14.0845 -14.0844 -6.6041 -6.6029 -6.5998 -6.5980 -5.5776 -5.5758 -5.5717 -5.5698 -5.5681 -5.5671 6.6227 6.6513 9.7640 9.7679 10.1128 10.2187 10.4294 10.5294 10.9903 10.9989 11.1657 11.3078 12.2615 12.3191 12.8552 12.9938 14.0444 14.1448 16.7798 16.8511 16.8755 17.0405 17.4525 17.4737 18.1651 18.3221 k = 0.2335 0.1348 0.3813 ( 3216 PWs) bands (ev): -70.5085 -70.5085 -47.5045 -47.5044 -39.3244 -39.3236 -34.8531 -34.8526 -34.8520 -34.8512 -21.8156 -21.8137 -14.0952 -14.0931 -14.0842 -14.0841 -6.6042 -6.6031 -6.6001 -6.5982 -5.5777 -5.5761 -5.5720 -5.5698 -5.5682 -5.5675 6.5650 6.5922 9.7625 9.7697 10.1043 10.2118 10.4446 10.5434 10.9947 10.9958 11.1555 11.3038 12.3216 12.3712 12.9021 13.0431 14.0770 14.1787 16.7568 16.8191 16.8626 17.0241 17.5303 17.5472 18.1964 18.3464 k = 0.2264 0.1307 0.3697 ( 3220 PWs) bands (ev): -70.5085 -70.5085 -47.5045 -47.5044 -39.3244 -39.3236 -34.8530 -34.8525 -34.8520 -34.8513 -21.8155 -21.8137 -14.0948 -14.0929 -14.0839 -14.0839 -6.6042 -6.6033 -6.6002 -6.5984 -5.5777 -5.5763 -5.5723 -5.5699 -5.5684 -5.5678 6.5051 6.5307 9.7652 9.7763 10.0970 10.2057 10.4590 10.5555 10.9924 10.9988 11.1455 11.2996 12.3838 12.4261 12.9521 13.0949 14.1107 14.2136 16.7299 16.7862 16.8524 17.0079 17.5993 17.6127 18.2238 18.3705 k = 0.2193 0.1266 0.3582 ( 3220 PWs) bands (ev): -70.5085 -70.5085 -47.5045 -47.5044 -39.3244 -39.3236 -34.8530 -34.8525 -34.8520 -34.8513 -21.8154 -21.8137 -14.0943 -14.0926 -14.0836 -14.0836 -6.6043 -6.6035 -6.6004 -6.5985 -5.5777 -5.5765 -5.5725 -5.5700 -5.5685 -5.5681 6.4433 6.4672 9.7718 9.7871 10.0911 10.2006 10.4721 10.5654 10.9888 11.0030 11.1357 11.2950 12.4482 12.4840 13.0052 13.1491 14.1454 14.2494 16.7006 16.7530 16.8445 16.9919 17.6556 17.6672 18.2472 18.3937 k = 0.2123 0.1226 0.3466 ( 3224 PWs) bands (ev): -70.5085 -70.5085 -47.5045 -47.5044 -39.3244 -39.3237 -34.8529 -34.8525 -34.8520 -34.8514 -21.8153 -21.8137 -14.0938 -14.0922 -14.0833 -14.0833 -6.6044 -6.6038 -6.6007 -6.5987 -5.5778 -5.5767 -5.5728 -5.5702 -5.5687 -5.5685 6.3801 6.4022 9.7818 9.8017 10.0866 10.1967 10.4837 10.5732 10.9849 11.0069 11.1261 11.2901 12.5149 12.5449 13.0613 13.2059 14.1808 14.2858 16.6700 16.7201 16.8382 16.9763 17.6961 17.7082 18.2672 18.4157 k = 0.2052 0.1185 0.3351 ( 3238 PWs) bands (ev): -70.5085 -70.5085 -47.5045 -47.5044 -39.3244 -39.3237 -34.8529 -34.8525 -34.8520 -34.8514 -21.8152 -21.8137 -14.0933 -14.0918 -14.0831 -14.0830 -6.6045 -6.6041 -6.6010 -6.5991 -5.5780 -5.5771 -5.5733 -5.5704 -5.5690 -5.5690 6.3158 6.3362 9.7948 9.8195 10.0834 10.1939 10.4936 10.5787 10.9809 11.0108 11.1167 11.2846 12.5838 12.6088 13.1203 13.2650 14.2169 14.3227 16.6391 16.6876 16.8327 16.9608 17.7192 17.7339 18.2854 18.4359 k = 0.1981 0.1144 0.3235 ( 3246 PWs) bands (ev): -70.5086 -70.5086 -47.5044 -47.5044 -39.3243 -39.3237 -34.8528 -34.8525 -34.8520 -34.8515 -21.8150 -21.8137 -14.0928 -14.0914 -14.0828 -14.0827 -6.6047 -6.6044 -6.6014 -6.5994 -5.5781 -5.5775 -5.5736 -5.5706 -5.5694 -5.5693 6.2508 6.2695 9.8105 9.8402 10.0816 10.1926 10.5017 10.5822 10.9767 11.0145 11.1076 11.2788 12.6551 12.6759 13.1821 13.3267 14.2534 14.3600 16.6085 16.6561 16.8278 16.9454 17.7253 17.7441 18.3036 18.4539 k = 0.1910 0.1103 0.3120 ( 3234 PWs) bands (ev): -70.5085 -70.5085 -47.5044 -47.5044 -39.3243 -39.3238 -34.8528 -34.8524 -34.8520 -34.8515 -21.8149 -21.8137 -14.0921 -14.0909 -14.0826 -14.0824 -6.6046 -6.6046 -6.6014 -6.5996 -5.5781 -5.5776 -5.5738 -5.5705 -5.5697 -5.5693 6.1856 6.2026 9.8285 9.8634 10.0813 10.1926 10.5080 10.5838 10.9725 11.0181 11.0990 11.2726 12.7288 12.7463 13.2467 13.3909 14.2904 14.3975 16.5789 16.6259 16.8230 16.9300 17.7167 17.7402 18.3224 18.4693 k = 0.1840 0.1062 0.3004 ( 3220 PWs) bands (ev): -70.5085 -70.5085 -47.5044 -47.5044 -39.3243 -39.3238 -34.8527 -34.8524 -34.8520 -34.8516 -21.8148 -21.8137 -14.0915 -14.0904 -14.0823 -14.0821 -6.6046 -6.6045 -6.6016 -6.5997 -5.5780 -5.5776 -5.5740 -5.5705 -5.5700 -5.5694 6.1205 6.1359 9.8484 9.8886 10.0823 10.1940 10.5124 10.5834 10.9682 11.0214 11.0906 11.2659 12.8049 12.8199 13.3139 13.4574 14.3274 14.4349 16.5508 16.5973 16.8182 16.9144 17.6964 17.7248 18.3416 18.4816 k = 0.1769 0.1021 0.2889 ( 3230 PWs) bands (ev): -70.5085 -70.5085 -47.5044 -47.5043 -39.3243 -39.3238 -34.8527 -34.8524 -34.8520 -34.8516 -21.8147 -21.8136 -14.0909 -14.0899 -14.0820 -14.0819 -6.6049 -6.6047 -6.6020 -6.6001 -5.5782 -5.5780 -5.5744 -5.5708 -5.5705 -5.5697 6.0557 6.0696 9.8699 9.9152 10.0846 10.1966 10.5149 10.5813 10.9637 11.0242 11.0823 11.2585 12.8833 12.8965 13.3835 13.5261 14.3644 14.4720 16.5245 16.5706 16.8129 16.8986 17.6677 17.7009 18.3600 18.4904 k = 0.1698 0.0980 0.2773 ( 3230 PWs) bands (ev): -70.5085 -70.5085 -47.5044 -47.5043 -39.3243 -39.3239 -34.8526 -34.8524 -34.8520 -34.8517 -21.8146 -21.8136 -14.0902 -14.0894 -14.0818 -14.0816 -6.6051 -6.6048 -6.6023 -6.6004 -5.5783 -5.5782 -5.5748 -5.5710 -5.5709 -5.5700 5.9916 6.0040 9.8926 9.9431 10.0883 10.2005 10.5158 10.5776 10.9592 11.0266 11.0742 11.2507 12.9642 12.9763 13.4554 13.5969 14.4011 14.5085 16.5007 16.5463 16.8071 16.8824 17.6338 17.6718 18.3764 18.4956 k = 0.1627 0.0940 0.2657 ( 3230 PWs) bands (ev): -70.5085 -70.5085 -47.5044 -47.5043 -39.3243 -39.3239 -34.8526 -34.8523 -34.8520 -34.8517 -21.8144 -21.8136 -14.0896 -14.0888 -14.0815 -14.0814 -6.6053 -6.6049 -6.6026 -6.6008 -5.5785 -5.5784 -5.5751 -5.5715 -5.5711 -5.5702 5.9285 5.9395 9.9165 9.9719 10.0933 10.2058 10.5150 10.5726 10.9545 11.0285 11.0663 11.2424 13.0475 13.0591 13.5294 13.6697 14.4373 14.5442 16.4796 16.5247 16.8006 16.8660 17.5973 17.6399 18.3899 18.4968 k = 0.1557 0.0899 0.2542 ( 3242 PWs) bands (ev): -70.5086 -70.5086 -47.5044 -47.5043 -39.3243 -39.3239 -34.8526 -34.8523 -34.8520 -34.8517 -21.8143 -21.8136 -14.0889 -14.0882 -14.0813 -14.0812 -6.6056 -6.6052 -6.6031 -6.6013 -5.5788 -5.5786 -5.5756 -5.5721 -5.5714 -5.5706 5.8667 5.8763 9.9410 10.0012 10.0995 10.2122 10.5128 10.5664 10.9498 11.0296 11.0583 11.2333 13.1331 13.1447 13.6051 13.7440 14.4727 14.5788 16.4617 16.5061 16.7934 16.8493 17.5603 17.6072 18.3995 18.4940 k = 0.1486 0.0858 0.2426 ( 3234 PWs) bands (ev): -70.5085 -70.5085 -47.5043 -47.5043 -39.3242 -39.3239 -34.8525 -34.8523 -34.8520 -34.8518 -21.8142 -21.8135 -14.0882 -14.0876 -14.0811 -14.0809 -6.6058 -6.6052 -6.6033 -6.6015 -5.5790 -5.5787 -5.5759 -5.5725 -5.5715 -5.5707 5.8062 5.8147 9.9662 10.0308 10.1070 10.2198 10.5093 10.5594 10.9450 11.0302 11.0505 11.2238 13.2209 13.2331 13.6824 13.8197 14.5070 14.6121 16.4475 16.4910 16.7856 16.8327 17.5245 17.5753 18.4046 18.4870 k = 0.1415 0.0817 0.2311 ( 3235 PWs) bands (ev): -70.5086 -70.5086 -47.5043 -47.5043 -39.3242 -39.3240 -34.8525 -34.8523 -34.8520 -34.8518 -21.8141 -21.8135 -14.0875 -14.0870 -14.0808 -14.0807 -6.6060 -6.6053 -6.6036 -6.6019 -5.5792 -5.5788 -5.5763 -5.5730 -5.5716 -5.5710 5.7475 5.7548 9.9917 10.0604 10.1156 10.2285 10.5048 10.5515 10.9401 11.0301 11.0426 11.2137 13.3109 13.3240 13.7608 13.8964 14.5401 14.6436 16.4373 16.4796 16.7773 16.8165 17.4911 17.5451 18.4049 18.4758 k = 0.1344 0.0776 0.2195 ( 3239 PWs) bands (ev): -70.5086 -70.5086 -47.5043 -47.5043 -39.3242 -39.3240 -34.8524 -34.8523 -34.8520 -34.8519 -21.8140 -21.8135 -14.0868 -14.0864 -14.0806 -14.0805 -6.6062 -6.6055 -6.6040 -6.6023 -5.5794 -5.5790 -5.5768 -5.5736 -5.5718 -5.5712 5.6905 5.6969 10.0174 10.0897 10.1253 10.2383 10.4994 10.5430 10.9350 11.0292 11.0346 11.2029 13.4027 13.4172 13.8400 13.9736 14.5717 14.6731 16.4316 16.4724 16.7689 16.8010 17.4608 17.5174 18.4002 18.4604 k = 0.1274 0.0735 0.2080 ( 3233 PWs) bands (ev): -70.5086 -70.5086 -47.5043 -47.5043 -39.3242 -39.3240 -34.8524 -34.8522 -34.8521 -34.8519 -21.8139 -21.8134 -14.0861 -14.0857 -14.0804 -14.0803 -6.6063 -6.6056 -6.6043 -6.6027 -5.5795 -5.5791 -5.5771 -5.5741 -5.5719 -5.5714 5.6357 5.6411 10.0431 10.1186 10.1360 10.2490 10.4932 10.5341 10.9300 11.0266 11.0277 11.1915 13.4963 13.5123 13.9195 14.0510 14.6015 14.7004 16.4307 16.4696 16.7611 16.7870 17.4342 17.4927 18.3903 18.4411 k = 0.1203 0.0694 0.1964 ( 3233 PWs) bands (ev): -70.5086 -70.5086 -47.5043 -47.5043 -39.3242 -39.3240 -34.8523 -34.8522 -34.8521 -34.8519 -21.8138 -21.8134 -14.0854 -14.0851 -14.0802 -14.0801 -6.6065 -6.6057 -6.6046 -6.6030 -5.5797 -5.5792 -5.5775 -5.5746 -5.5721 -5.5716 5.5830 5.5875 10.0687 10.1467 10.1477 10.2606 10.4866 10.5249 10.9249 11.0185 11.0254 11.1795 13.5913 13.6091 13.9989 14.1279 14.6293 14.7252 16.4348 16.4715 16.7543 16.7750 17.4116 17.4710 18.3755 18.4177 k = 0.1132 0.0654 0.1849 ( 3245 PWs) bands (ev): -70.5086 -70.5086 -47.5043 -47.5043 -39.3242 -39.3241 -34.8523 -34.8522 -34.8521 -34.8519 -21.8137 -21.8134 -14.0848 -14.0845 -14.0801 -14.0800 -6.6067 -6.6060 -6.6051 -6.6036 -5.5800 -5.5795 -5.5780 -5.5754 -5.5723 -5.5719 5.5326 5.5364 10.0940 10.1602 10.1737 10.2729 10.4795 10.5155 10.9197 11.0101 11.0223 11.1668 13.6875 13.7070 14.0775 14.2037 14.6550 14.7474 16.4442 16.4784 16.7495 16.7659 17.3930 17.4526 18.3557 18.3907 k = 0.1061 0.0613 0.1733 ( 3245 PWs) bands (ev): -70.5086 -70.5086 -47.5043 -47.5043 -39.3242 -39.3241 -34.8523 -34.8522 -34.8521 -34.8520 -21.8136 -21.8133 -14.0842 -14.0839 -14.0799 -14.0798 -6.6068 -6.6061 -6.6054 -6.6039 -5.5802 -5.5795 -5.5784 -5.5759 -5.5725 -5.5722 5.4847 5.4879 10.1190 10.1735 10.1996 10.2859 10.4723 10.5060 10.9147 11.0018 11.0187 11.1537 13.7844 13.8057 14.1549 14.2777 14.6785 14.7668 16.4591 16.4904 16.7476 16.7604 17.3784 17.4373 18.3312 18.3601 k = 0.0991 0.0572 0.1618 ( 3237 PWs) bands (ev): -70.5086 -70.5086 -47.5043 -47.5042 -39.3242 -39.3241 -34.8523 -34.8522 -34.8521 -34.8520 -21.8135 -21.8133 -14.0835 -14.0833 -14.0797 -14.0797 -6.6069 -6.6062 -6.6056 -6.6042 -5.5802 -5.5796 -5.5787 -5.5763 -5.5725 -5.5722 5.4394 5.4420 10.1434 10.1876 10.2242 10.2994 10.4650 10.4967 10.9099 10.9935 11.0145 11.1400 13.8816 13.9045 14.2304 14.3494 14.6996 14.7834 16.4795 16.5075 16.7496 16.7594 17.3677 17.4253 18.3023 18.3262 k = 0.0920 0.0531 0.1502 ( 3239 PWs) bands (ev): -70.5086 -70.5086 -47.5042 -47.5042 -39.3242 -39.3241 -34.8522 -34.8522 -34.8521 -34.8520 -21.8134 -21.8132 -14.0829 -14.0827 -14.0796 -14.0795 -6.6071 -6.6063 -6.6059 -6.6046 -5.5804 -5.5798 -5.5791 -5.5769 -5.5727 -5.5725 5.3968 5.3989 10.1672 10.2024 10.2472 10.3134 10.4576 10.4875 10.9053 10.9851 11.0096 11.1258 13.9785 14.0030 14.3033 14.4178 14.7184 14.7972 16.5053 16.5299 16.7562 16.7635 17.3609 17.4165 18.2693 18.2892 k = 0.0849 0.0490 0.1387 ( 3237 PWs) bands (ev): -70.5086 -70.5086 -47.5042 -47.5042 -39.3242 -39.3241 -34.8522 -34.8522 -34.8521 -34.8520 -21.8133 -21.8132 -14.0823 -14.0822 -14.0794 -14.0794 -6.6072 -6.6064 -6.6061 -6.6049 -5.5805 -5.5799 -5.5793 -5.5773 -5.5728 -5.5727 5.3570 5.3586 10.1901 10.2176 10.2683 10.3275 10.4504 10.4786 10.9012 10.9770 11.0043 11.1111 14.0746 14.1004 14.3730 14.4824 14.7349 14.8084 16.5366 16.5575 16.7682 16.7732 17.3578 17.4109 18.2326 18.2496 k = 0.0778 0.0449 0.1271 ( 3237 PWs) bands (ev): -70.5086 -70.5086 -47.5042 -47.5042 -39.3242 -39.3241 -34.8522 -34.8521 -34.8521 -34.8520 -21.8133 -21.8132 -14.0818 -14.0817 -14.0793 -14.0793 -6.6073 -6.6065 -6.6063 -6.6053 -5.5806 -5.5800 -5.5797 -5.5778 -5.5729 -5.5728 5.3200 5.3213 10.2121 10.2335 10.2876 10.3417 10.4435 10.4700 10.8976 10.9690 10.9985 11.0961 14.1691 14.1958 14.4388 14.5423 14.7493 14.8172 16.5731 16.5902 16.7860 16.7890 17.3585 17.4087 18.1926 18.2075 k = 0.0708 0.0409 0.1155 ( 3237 PWs) bands (ev): -70.5086 -70.5086 -47.5042 -47.5042 -39.3242 -39.3242 -34.8522 -34.8521 -34.8521 -34.8520 -21.8132 -21.8131 -14.0812 -14.0812 -14.0792 -14.0792 -6.6074 -6.6066 -6.6066 -6.6056 -5.5807 -5.5802 -5.5800 -5.5783 -5.5730 -5.5729 5.2861 5.2870 10.2328 10.2498 10.3049 10.3556 10.4368 10.4619 10.8946 10.9614 10.9923 11.0806 14.2612 14.2884 14.5003 14.5970 14.7616 14.8236 16.6144 16.6279 16.8098 16.8107 17.3635 17.4104 18.1497 18.1633 k = 0.0637 0.0368 0.1040 ( 3233 PWs) bands (ev): -70.5086 -70.5086 -47.5042 -47.5042 -39.3242 -39.3242 -34.8521 -34.8521 -34.8521 -34.8521 -21.8131 -21.8131 -14.0808 -14.0807 -14.0791 -14.0791 -6.6074 -6.6067 -6.6067 -6.6059 -5.5808 -5.5803 -5.5802 -5.5786 -5.5731 -5.5731 5.2551 5.2558 10.2521 10.2667 10.3202 10.3689 10.4305 10.4543 10.8926 10.9543 10.9859 11.0650 14.3501 14.3773 14.5568 14.6461 14.7721 14.8281 16.6603 16.6702 16.8380 16.8390 17.3731 17.4163 18.1045 18.1175 k = 0.0566 0.0327 0.0924 ( 3225 PWs) bands (ev): -70.5086 -70.5086 -47.5042 -47.5042 -39.3242 -39.3242 -34.8521 -34.8521 -34.8521 -34.8521 -21.8131 -21.8130 -14.0803 -14.0803 -14.0790 -14.0790 -6.6075 -6.6068 -6.6067 -6.6061 -5.5808 -5.5803 -5.5803 -5.5789 -5.5731 -5.5731 5.2273 5.2277 10.2699 10.2839 10.3335 10.3812 10.4244 10.4474 10.8915 10.9478 10.9792 11.0493 14.4347 14.4613 14.6080 14.6890 14.7810 14.8309 16.7102 16.7169 16.8698 16.8726 17.3883 17.4275 18.0576 18.0704 k = 0.0495 0.0286 0.0809 ( 3223 PWs) bands (ev): -70.5085 -70.5085 -47.5042 -47.5042 -39.3242 -39.3242 -34.8521 -34.8521 -34.8521 -34.8521 -21.8130 -21.8130 -14.0799 -14.0799 -14.0789 -14.0789 -6.6075 -6.6069 -6.6068 -6.6063 -5.5809 -5.5804 -5.5804 -5.5793 -5.5732 -5.5732 5.2025 5.2029 10.2865 10.3007 10.3449 10.3920 10.4187 10.4410 10.8916 10.9422 10.9725 11.0334 14.5139 14.5392 14.6536 14.7257 14.7885 14.8322 16.7633 16.7673 16.9047 16.9089 17.4103 17.4449 18.0098 18.0225 k = 0.0425 0.0245 0.0693 ( 3225 PWs) bands (ev): -70.5086 -70.5086 -47.5042 -47.5042 -39.3242 -39.3242 -34.8521 -34.8521 -34.8521 -34.8521 -21.8130 -21.8130 -14.0796 -14.0796 -14.0788 -14.0788 -6.6076 -6.6071 -6.6069 -6.6066 -5.5809 -5.5806 -5.5805 -5.5796 -5.5733 -5.5733 5.1810 5.1812 10.3020 10.3168 10.3544 10.4012 10.4133 10.4354 10.8931 10.9374 10.9657 11.0177 14.5865 14.6099 14.6936 14.7562 14.7949 14.8324 16.8188 16.8205 16.9404 16.9455 17.4402 17.4697 17.9624 17.9747 k = 0.0354 0.0204 0.0578 ( 3225 PWs) bands (ev): -70.5086 -70.5086 -47.5042 -47.5042 -39.3242 -39.3242 -34.8521 -34.8521 -34.8521 -34.8521 -21.8130 -21.8130 -14.0793 -14.0793 -14.0788 -14.0788 -6.6076 -6.6072 -6.6070 -6.6068 -5.5810 -5.5808 -5.5806 -5.5799 -5.5733 -5.5733 5.1628 5.1629 10.3166 10.3316 10.3620 10.4063 10.4102 10.4306 10.8960 10.9338 10.9591 11.0022 14.6513 14.6721 14.7279 14.7805 14.8003 14.8316 16.8750 16.8751 16.9745 16.9799 17.4787 17.5022 17.9178 17.9289 k = 0.0283 0.0163 0.0462 ( 3229 PWs) bands (ev): -70.5086 -70.5086 -47.5042 -47.5042 -39.3242 -39.3242 -34.8521 -34.8521 -34.8521 -34.8521 -21.8129 -21.8129 -14.0791 -14.0790 -14.0787 -14.0787 -6.6077 -6.6073 -6.6072 -6.6070 -5.5811 -5.5809 -5.5807 -5.5803 -5.5735 -5.5735 5.1477 5.1478 10.3302 10.3447 10.3679 10.4017 10.4147 10.4267 10.9004 10.9313 10.9528 10.9870 14.7070 14.7246 14.7565 14.7989 14.8051 14.8301 16.9290 16.9299 17.0047 17.0096 17.5237 17.5407 17.8810 17.8897 k = 0.0212 0.0123 0.0347 ( 3233 PWs) bands (ev): -70.5086 -70.5086 -47.5042 -47.5042 -39.3242 -39.3242 -34.8521 -34.8521 -34.8521 -34.8521 -21.8129 -21.8129 -14.0789 -14.0789 -14.0787 -14.0787 -6.6077 -6.6074 -6.6073 -6.6072 -5.5811 -5.5810 -5.5808 -5.5806 -5.5736 -5.5736 5.1360 5.1361 10.3428 10.3557 10.3721 10.3959 10.4182 10.4237 10.9065 10.9300 10.9470 10.9724 14.7524 14.7662 14.7798 14.8092 14.8116 14.8281 16.9793 16.9806 17.0292 17.0331 17.5682 17.5780 17.8623 17.8673 k = 0.0142 0.0082 0.0231 ( 3229 PWs) bands (ev): -70.5086 -70.5086 -47.5042 -47.5042 -39.3242 -39.3242 -34.8521 -34.8521 -34.8521 -34.8521 -21.8129 -21.8129 -14.0787 -14.0787 -14.0787 -14.0786 -6.6076 -6.6074 -6.6073 -6.6073 -5.5811 -5.5809 -5.5808 -5.5807 -5.5736 -5.5736 5.1277 5.1277 10.3544 10.3645 10.3746 10.3895 10.4201 10.4219 10.9141 10.9301 10.9418 10.9586 14.7865 14.7956 14.7981 14.8130 14.8188 14.8257 17.0218 17.0230 17.0470 17.0496 17.5983 17.6018 17.8773 17.8784 k = 0.0071 0.0041 0.0116 ( 3239 PWs) bands (ev): -70.5086 -70.5086 -47.5042 -47.5042 -39.3242 -39.3242 -34.8521 -34.8521 -34.8521 -34.8521 -21.8129 -21.8129 -14.0787 -14.0787 -14.0786 -14.0786 -6.6076 -6.6076 -6.6075 -6.6074 -5.5811 -5.5810 -5.5810 -5.5809 -5.5738 -5.5738 5.1226 5.1226 10.3648 10.3705 10.3753 10.3823 10.4208 10.4210 10.9233 10.9314 10.9374 10.9457 14.8083 14.8103 14.8132 14.8167 14.8208 14.8232 17.0510 17.0518 17.0578 17.0591 17.6077 17.6081 17.9305 17.9308 k = 0.0000 0.0000 0.0000 ( 3215 PWs) bands (ev): -70.5085 -70.5085 -47.5042 -47.5042 -39.3242 -39.3242 -34.8521 -34.8521 -34.8521 -34.8521 -21.8129 -21.8129 -14.0786 -14.0786 -14.0786 -14.0786 -6.6073 -6.6073 -6.6073 -6.6073 -5.5807 -5.5807 -5.5807 -5.5807 -5.5736 -5.5736 5.1210 5.1210 10.3742 10.3742 10.3742 10.3742 10.4209 10.4209 10.9340 10.9340 10.9340 10.9340 14.8164 14.8164 14.8196 14.8196 14.8196 14.8196 17.0619 17.0619 17.0619 17.0619 17.6081 17.6081 17.9840 17.9840 k = 0.0000 0.0000 0.0000 ( 3215 PWs) bands (ev): -70.5085 -70.5085 -47.5042 -47.5042 -39.3242 -39.3242 -34.8521 -34.8521 -34.8521 -34.8521 -21.8129 -21.8129 -14.0786 -14.0786 -14.0786 -14.0786 -6.6073 -6.6073 -6.6073 -6.6073 -5.5807 -5.5807 -5.5807 -5.5807 -5.5736 -5.5736 5.1210 5.1210 10.3742 10.3742 10.3742 10.3742 10.4209 10.4209 10.9340 10.9340 10.9340 10.9340 14.8164 14.8164 14.8196 14.8196 14.8196 14.8196 17.0619 17.0619 17.0619 17.0619 17.6081 17.6081 17.9840 17.9840 k = 0.0114 0.0066 0.0046 ( 3233 PWs) bands (ev): -70.5086 -70.5086 -47.5042 -47.5042 -39.3242 -39.3242 -34.8521 -34.8521 -34.8521 -34.8521 -21.8129 -21.8129 -14.0787 -14.0787 -14.0786 -14.0786 -6.6076 -6.6076 -6.6075 -6.6073 -5.5811 -5.5809 -5.5809 -5.5809 -5.5737 -5.5737 5.1226 5.1226 10.3648 10.3729 10.3729 10.3825 10.4209 10.4209 10.9231 10.9344 10.9344 10.9459 14.8089 14.8089 14.8140 14.8190 14.8190 14.8236 17.0533 17.0533 17.0563 17.0579 17.6077 17.6077 17.9318 17.9318 k = 0.0227 0.0131 0.0093 ( 3230 PWs) bands (ev): -70.5086 -70.5086 -47.5042 -47.5042 -39.3242 -39.3242 -34.8521 -34.8521 -34.8521 -34.8521 -21.8129 -21.8129 -14.0787 -14.0787 -14.0787 -14.0787 -6.6076 -6.6074 -6.6074 -6.6073 -5.5811 -5.5809 -5.5809 -5.5807 -5.5736 -5.5736 5.1275 5.1275 10.3546 10.3696 10.3696 10.3897 10.4209 10.4209 10.9137 10.9359 10.9359 10.9589 14.7875 14.7875 14.8068 14.8162 14.8162 14.8261 17.0295 17.0295 17.0419 17.0446 17.5974 17.5974 17.8816 17.8816 k = 0.0341 0.0197 0.0139 ( 3230 PWs) bands (ev): -70.5086 -70.5086 -47.5042 -47.5042 -39.3242 -39.3242 -34.8521 -34.8521 -34.8521 -34.8521 -21.8129 -21.8129 -14.0789 -14.0789 -14.0787 -14.0787 -6.6076 -6.6073 -6.6073 -6.6072 -5.5811 -5.5809 -5.5809 -5.5805 -5.5735 -5.5735 5.1356 5.1356 10.3438 10.3643 10.3643 10.3957 10.4206 10.4206 10.9058 10.9383 10.9383 10.9729 14.7524 14.7524 14.7980 14.8113 14.8113 14.8270 16.9948 16.9948 17.0203 17.0233 17.5611 17.5611 17.8774 17.8774 k = 0.0455 0.0262 0.0186 ( 3227 PWs) bands (ev): -70.5086 -70.5086 -47.5042 -47.5042 -39.3242 -39.3242 -34.8521 -34.8521 -34.8521 -34.8521 -21.8129 -21.8129 -14.0790 -14.0790 -14.0787 -14.0787 -6.6076 -6.6072 -6.6072 -6.6070 -5.5810 -5.5808 -5.5808 -5.5802 -5.5734 -5.5734 5.1469 5.1469 10.3325 10.3573 10.3573 10.4004 10.4198 10.4198 10.8996 10.9417 10.9417 10.9877 14.7041 14.7041 14.7877 14.8045 14.8045 14.8263 16.9536 16.9536 16.9933 16.9957 17.5036 17.5036 17.9143 17.9143 k = 0.0568 0.0328 0.0232 ( 3221 PWs) bands (ev): -70.5085 -70.5085 -47.5042 -47.5042 -39.3242 -39.3242 -34.8521 -34.8521 -34.8521 -34.8521 -21.8130 -21.8130 -14.0793 -14.0793 -14.0787 -14.0787 -6.6075 -6.6071 -6.6071 -6.6067 -5.5809 -5.5807 -5.5807 -5.5799 -5.5733 -5.5733 5.1615 5.1615 10.3209 10.3491 10.3491 10.4036 10.4182 10.4182 10.8950 10.9460 10.9460 11.0030 14.6433 14.6433 14.7757 14.7957 14.7957 14.8240 16.9095 16.9095 16.9629 16.9637 17.4395 17.4395 17.9753 17.9753 k = 0.0682 0.0394 0.0278 ( 3227 PWs) bands (ev): -70.5086 -70.5086 -47.5042 -47.5042 -39.3242 -39.3242 -34.8521 -34.8521 -34.8521 -34.8521 -21.8130 -21.8130 -14.0796 -14.0796 -14.0788 -14.0788 -6.6076 -6.6070 -6.6070 -6.6067 -5.5808 -5.5808 -5.5808 -5.5796 -5.5733 -5.5733 5.1792 5.1792 10.3089 10.3396 10.3396 10.4053 10.4157 10.4157 10.8922 10.9510 10.9510 11.0186 14.5709 14.5709 14.7621 14.7849 14.7849 14.8199 16.8650 16.8650 16.9292 16.9308 17.3769 17.3769 18.0501 18.0501 k = 0.0795 0.0459 0.0325 ( 3221 PWs) bands (ev): -70.5085 -70.5085 -47.5042 -47.5042 -39.3242 -39.3242 -34.8521 -34.8521 -34.8521 -34.8521 -21.8130 -21.8130 -14.0799 -14.0799 -14.0789 -14.0789 -6.6074 -6.6069 -6.6069 -6.6064 -5.5806 -5.5806 -5.5806 -5.5793 -5.5731 -5.5731 5.2001 5.2001 10.2970 10.3293 10.3293 10.4057 10.4124 10.4124 10.8910 10.9567 10.9567 11.0346 14.4880 14.4880 14.7469 14.7722 14.7722 14.8141 16.8216 16.8216 16.8937 16.8984 17.3192 17.3192 18.1336 18.1336 k = 0.0909 0.0525 0.0371 ( 3227 PWs) bands (ev): -70.5086 -70.5086 -47.5042 -47.5042 -39.3242 -39.3242 -34.8521 -34.8521 -34.8521 -34.8521 -21.8131 -21.8131 -14.0803 -14.0803 -14.0789 -14.0789 -6.6073 -6.6069 -6.6069 -6.6061 -5.5806 -5.5806 -5.5804 -5.5789 -5.5731 -5.5731 5.2241 5.2241 10.2850 10.3180 10.3180 10.4046 10.4080 10.4080 10.8915 10.9629 10.9629 11.0506 14.3956 14.3956 14.7301 14.7574 14.7574 14.8065 16.7806 16.7806 16.8585 16.8669 17.2674 17.2674 18.2233 18.2233 k = 0.1023 0.0590 0.0418 ( 3221 PWs) bands (ev): -70.5085 -70.5085 -47.5042 -47.5042 -39.3242 -39.3242 -34.8521 -34.8521 -34.8521 -34.8521 -21.8131 -21.8131 -14.0807 -14.0807 -14.0790 -14.0790 -6.6072 -6.6066 -6.6066 -6.6059 -5.5804 -5.5804 -5.5801 -5.5785 -5.5730 -5.5730 5.2512 5.2512 10.2732 10.3060 10.3060 10.4023 10.4030 10.4030 10.8934 10.9695 10.9695 11.0666 14.2951 14.2951 14.7116 14.7407 14.7407 14.7971 16.7426 16.7426 16.8248 16.8371 17.2218 17.2218 18.3176 18.3176 k = 0.1136 0.0656 0.0464 ( 3227 PWs) bands (ev): -70.5086 -70.5086 -47.5042 -47.5042 -39.3242 -39.3242 -34.8521 -34.8521 -34.8521 -34.8521 -21.8131 -21.8131 -14.0811 -14.0811 -14.0791 -14.0791 -6.6071 -6.6066 -6.6066 -6.6057 -5.5804 -5.5804 -5.5799 -5.5781 -5.5729 -5.5729 5.2813 5.2813 10.2615 10.2933 10.2933 10.3971 10.3971 10.3989 10.8965 10.9764 10.9764 11.0823 14.1875 14.1875 14.6916 14.7220 14.7220 14.7858 16.7080 16.7080 16.7931 16.8098 17.1820 17.1820 18.4156 18.4156 k = 0.1250 0.0722 0.0510 ( 3227 PWs) bands (ev): -70.5086 -70.5086 -47.5042 -47.5042 -39.3242 -39.3242 -34.8521 -34.8521 -34.8521 -34.8521 -21.8132 -21.8132 -14.0817 -14.0817 -14.0792 -14.0792 -6.6069 -6.6064 -6.6064 -6.6054 -5.5803 -5.5803 -5.5796 -5.5777 -5.5728 -5.5728 5.3144 5.3144 10.2503 10.2798 10.2798 10.3907 10.3907 10.3945 10.9009 10.9835 10.9835 11.0978 14.0742 14.0742 14.6700 14.7016 14.7016 14.7726 16.6774 16.6774 16.7643 16.7854 17.1478 17.1478 18.5165 18.5165 k = 0.1364 0.0787 0.0557 ( 3236 PWs) bands (ev): -70.5086 -70.5086 -47.5042 -47.5042 -39.3242 -39.3242 -34.8521 -34.8521 -34.8521 -34.8521 -21.8133 -21.8133 -14.0822 -14.0822 -14.0793 -14.0793 -6.6068 -6.6063 -6.6063 -6.6052 -5.5802 -5.5802 -5.5794 -5.5774 -5.5727 -5.5727 5.3504 5.3504 10.2393 10.2656 10.2656 10.3838 10.3838 10.3893 10.9061 10.9905 10.9905 11.1128 13.9561 13.9561 14.6470 14.6793 14.6793 14.7575 16.6508 16.6508 16.7388 16.7644 17.1187 17.1187 18.6198 18.6198 k = 0.1477 0.0853 0.0603 ( 3239 PWs) bands (ev): -70.5086 -70.5086 -47.5042 -47.5042 -39.3242 -39.3242 -34.8521 -34.8521 -34.8521 -34.8521 -21.8133 -21.8133 -14.0828 -14.0828 -14.0795 -14.0794 -6.6066 -6.6061 -6.6061 -6.6049 -5.5801 -5.5801 -5.5790 -5.5769 -5.5726 -5.5726 5.3893 5.3893 10.2289 10.2506 10.2506 10.3766 10.3766 10.3835 10.9121 10.9975 10.9975 11.1272 13.8343 13.8343 14.6227 14.6555 14.6555 14.7406 16.6284 16.6284 16.7170 16.7469 17.0939 17.0939 18.7251 18.7251 k = 0.1591 0.0919 0.0649 ( 3239 PWs) bands (ev): -70.5086 -70.5086 -47.5043 -47.5043 -39.3242 -39.3242 -34.8522 -34.8522 -34.8521 -34.8521 -21.8134 -21.8134 -14.0834 -14.0834 -14.0796 -14.0796 -6.6064 -6.6059 -6.6059 -6.6046 -5.5799 -5.5799 -5.5786 -5.5764 -5.5725 -5.5725 5.4310 5.4310 10.2190 10.2348 10.2348 10.3694 10.3694 10.3773 10.9187 11.0042 11.0042 11.1411 13.7097 13.7097 14.5971 14.6302 14.6302 14.7218 16.6102 16.6102 16.6991 16.7332 17.0732 17.0732 18.8319 18.8319 k = 0.1705 0.0984 0.0696 ( 3242 PWs) bands (ev): -70.5086 -70.5086 -47.5043 -47.5043 -39.3241 -39.3241 -34.8522 -34.8522 -34.8521 -34.8521 -21.8134 -21.8134 -14.0840 -14.0840 -14.0797 -14.0797 -6.6062 -6.6058 -6.6058 -6.6043 -5.5798 -5.5798 -5.5783 -5.5759 -5.5724 -5.5724 5.4754 5.4754 10.2096 10.2182 10.2182 10.3622 10.3622 10.3707 10.9256 11.0105 11.0105 11.1541 13.5833 13.5833 14.5706 14.6036 14.6036 14.7014 16.5961 16.5961 16.6853 16.7234 17.0560 17.0560 18.9400 18.9400 k = 0.1818 0.1050 0.0742 ( 3257 PWs) bands (ev): -70.5086 -70.5086 -47.5043 -47.5043 -39.3242 -39.3242 -34.8522 -34.8522 -34.8521 -34.8521 -21.8135 -21.8135 -14.0847 -14.0847 -14.0798 -14.0798 -6.6062 -6.6057 -6.6057 -6.6042 -5.5798 -5.5798 -5.5780 -5.5756 -5.5724 -5.5724 5.5223 5.5223 10.2006 10.2006 10.2009 10.3553 10.3553 10.3639 10.9327 11.0163 11.0163 11.1662 13.4557 13.4557 14.5431 14.5759 14.5759 14.6793 16.5861 16.5861 16.6756 16.7174 17.0420 17.0420 19.0489 19.0489 k = 0.1932 0.1115 0.0789 ( 3257 PWs) bands (ev): -70.5086 -70.5086 -47.5043 -47.5043 -39.3241 -39.3241 -34.8522 -34.8522 -34.8521 -34.8521 -21.8136 -21.8136 -14.0854 -14.0854 -14.0800 -14.0800 -6.6059 -6.6054 -6.6054 -6.6039 -5.5796 -5.5796 -5.5775 -5.5750 -5.5722 -5.5722 5.5718 5.5718 10.1821 10.1821 10.1928 10.3488 10.3488 10.3571 10.9400 11.0216 11.0216 11.1775 13.3277 13.3277 14.5150 14.5473 14.5473 14.6558 16.5802 16.5802 16.6702 16.7153 17.0307 17.0307 19.1582 19.1582 k = 0.2045 0.1181 0.0835 ( 3263 PWs) bands (ev): -70.5086 -70.5086 -47.5043 -47.5043 -39.3241 -39.3241 -34.8522 -34.8522 -34.8521 -34.8521 -21.8136 -21.8136 -14.0861 -14.0861 -14.0801 -14.0801 -6.6057 -6.6052 -6.6052 -6.6036 -5.5794 -5.5794 -5.5772 -5.5746 -5.5721 -5.5721 5.6237 5.6237 10.1625 10.1625 10.1855 10.3428 10.3428 10.3503 10.9473 11.0261 11.0261 11.1877 13.1998 13.1998 14.4863 14.5181 14.5181 14.6310 16.5781 16.5781 16.6690 16.7169 17.0219 17.0219 19.2673 19.2673 k = 0.2159 0.1247 0.0881 ( 3245 PWs) bands (ev): -70.5086 -70.5086 -47.5043 -47.5043 -39.3241 -39.3241 -34.8522 -34.8522 -34.8521 -34.8521 -21.8137 -21.8137 -14.0867 -14.0867 -14.0803 -14.0802 -6.6053 -6.6047 -6.6047 -6.6032 -5.5791 -5.5791 -5.5764 -5.5738 -5.5718 -5.5718 5.6779 5.6779 10.1420 10.1420 10.1790 10.3375 10.3375 10.3437 10.9546 11.0300 11.0300 11.1970 13.0727 13.0727 14.4575 14.4885 14.4885 14.6051 16.5796 16.5796 16.6719 16.7222 17.0154 17.0154 19.3754 19.3754 k = 0.2273 0.1312 0.0928 ( 3239 PWs) bands (ev): -70.5086 -70.5086 -47.5043 -47.5043 -39.3241 -39.3241 -34.8522 -34.8522 -34.8521 -34.8521 -21.8138 -21.8138 -14.0875 -14.0875 -14.0804 -14.0804 -6.6050 -6.6043 -6.6043 -6.6029 -5.5789 -5.5789 -5.5758 -5.5731 -5.5715 -5.5715 5.7343 5.7343 10.1204 10.1204 10.1732 10.3328 10.3328 10.3372 10.9616 11.0330 11.0330 11.2051 12.9469 12.9469 14.4286 14.4586 14.4586 14.5783 16.5846 16.5846 16.6786 16.7310 17.0108 17.0108 19.4812 19.4812 k = 0.2386 0.1378 0.0974 ( 3239 PWs) bands (ev): -70.5086 -70.5086 -47.5043 -47.5043 -39.3241 -39.3241 -34.8522 -34.8522 -34.8521 -34.8521 -21.8139 -21.8139 -14.0882 -14.0882 -14.0805 -14.0805 -6.6047 -6.6041 -6.6041 -6.6026 -5.5787 -5.5787 -5.5752 -5.5726 -5.5713 -5.5713 5.7926 5.7926 10.0976 10.0976 10.1681 10.3289 10.3289 10.3310 10.9683 11.0349 11.0349 11.2120 12.8229 12.8229 14.3998 14.4287 14.4287 14.5508 16.5927 16.5927 16.6891 16.7432 17.0080 17.0080 19.5811 19.5811 k = 0.2500 0.1443 0.1021 ( 3233 PWs) bands (ev): -70.5085 -70.5085 -47.5043 -47.5043 -39.3241 -39.3241 -34.8522 -34.8522 -34.8521 -34.8521 -21.8139 -21.8139 -14.0889 -14.0889 -14.0807 -14.0807 -6.6044 -6.6037 -6.6037 -6.6022 -5.5784 -5.5784 -5.5747 -5.5720 -5.5711 -5.5711 5.8528 5.8528 10.0738 10.0738 10.1638 10.3251 10.3258 10.3258 10.9748 11.0359 11.0359 11.2177 12.7012 12.7012 14.3714 14.3990 14.3990 14.5227 16.6037 16.6037 16.7032 16.7584 17.0069 17.0069 19.6630 19.6630 k = 0.2614 0.1509 0.1067 ( 3239 PWs) bands (ev): -70.5086 -70.5086 -47.5043 -47.5043 -39.3241 -39.3241 -34.8522 -34.8522 -34.8521 -34.8521 -21.8140 -21.8140 -14.0896 -14.0896 -14.0808 -14.0808 -6.6041 -6.6035 -6.6035 -6.6020 -5.5783 -5.5783 -5.5742 -5.5715 -5.5710 -5.5710 5.9147 5.9147 10.0487 10.0487 10.1603 10.3194 10.3235 10.3235 10.9808 11.0357 11.0357 11.2220 12.5822 12.5822 14.3435 14.3698 14.3698 14.4944 16.6174 16.6174 16.7206 16.7766 17.0074 17.0074 19.6770 19.6770 k = 0.2727 0.1575 0.1113 ( 3227 PWs) bands (ev): -70.5085 -70.5085 -47.5044 -47.5044 -39.3241 -39.3241 -34.8523 -34.8523 -34.8521 -34.8521 -21.8141 -21.8141 -14.0903 -14.0903 -14.0810 -14.0809 -6.6036 -6.6031 -6.6031 -6.6015 -5.5779 -5.5779 -5.5735 -5.5709 -5.5707 -5.5707 5.9781 5.9781 10.0224 10.0224 10.1577 10.3141 10.3221 10.3221 10.9867 11.0345 11.0345 11.2252 12.4664 12.4664 14.3165 14.3411 14.3411 14.4661 16.6333 16.6333 16.7411 16.7974 17.0096 17.0096 19.5939 19.5939 k = 0.2841 0.1640 0.1160 ( 3227 PWs) bands (ev): -70.5085 -70.5085 -47.5044 -47.5044 -39.3241 -39.3241 -34.8523 -34.8523 -34.8521 -34.8521 -21.8141 -21.8141 -14.0911 -14.0911 -14.0811 -14.0811 -6.6033 -6.6028 -6.6028 -6.6013 -5.5778 -5.5778 -5.5729 -5.5705 -5.5705 -5.5703 6.0428 6.0428 9.9950 9.9950 10.1558 10.3090 10.3214 10.3214 10.9921 11.0320 11.0320 11.2271 12.3541 12.3541 14.2903 14.3132 14.3132 14.4378 16.6512 16.6512 16.7643 16.8206 17.0132 17.0132 19.4787 19.4787 k = 0.2955 0.1706 0.1206 ( 3230 PWs) bands (ev): -70.5085 -70.5085 -47.5044 -47.5044 -39.3241 -39.3241 -34.8523 -34.8523 -34.8521 -34.8521 -21.8142 -21.8142 -14.0918 -14.0918 -14.0812 -14.0812 -6.6031 -6.6025 -6.6025 -6.6010 -5.5776 -5.5776 -5.5724 -5.5704 -5.5704 -5.5698 6.1085 6.1085 9.9663 9.9663 10.1546 10.3042 10.3216 10.3216 10.9972 11.0283 11.0283 11.2277 12.2460 12.2460 14.2651 14.2862 14.2862 14.4098 16.6706 16.6706 16.7901 16.8460 17.0184 17.0184 19.3575 19.3575 k = 0.3068 0.1771 0.1253 ( 3230 PWs) bands (ev): -70.5085 -70.5085 -47.5044 -47.5044 -39.3240 -39.3240 -34.8523 -34.8523 -34.8521 -34.8521 -21.8143 -21.8143 -14.0925 -14.0925 -14.0814 -14.0814 -6.6028 -6.6023 -6.6023 -6.6008 -5.5774 -5.5774 -5.5718 -5.5702 -5.5702 -5.5693 6.1750 6.1750 9.9364 9.9364 10.1542 10.2997 10.3225 10.3225 11.0021 11.0234 11.0234 11.2271 12.1423 12.1423 14.2412 14.2602 14.2602 14.3822 16.6912 16.6912 16.8181 16.8733 17.0253 17.0253 19.2367 19.2367 k = 0.3182 0.1837 0.1299 ( 3236 PWs) bands (ev): -70.5085 -70.5085 -47.5044 -47.5044 -39.3240 -39.3240 -34.8523 -34.8523 -34.8521 -34.8521 -21.8143 -21.8143 -14.0931 -14.0931 -14.0815 -14.0815 -6.6025 -6.6021 -6.6021 -6.6005 -5.5773 -5.5773 -5.5713 -5.5702 -5.5702 -5.5689 6.2419 6.2419 9.9052 9.9052 10.1546 10.2954 10.3243 10.3243 11.0067 11.0171 11.0171 11.2253 12.0435 12.0435 14.2186 14.2354 14.2354 14.3553 16.7124 16.7124 16.8480 16.9021 17.0338 17.0338 19.1187 19.1187 k = 0.3295 0.1903 0.1345 ( 3239 PWs) bands (ev): -70.5085 -70.5085 -47.5044 -47.5044 -39.3240 -39.3240 -34.8523 -34.8523 -34.8521 -34.8521 -21.8144 -21.8144 -14.0938 -14.0938 -14.0817 -14.0816 -6.6022 -6.6019 -6.6019 -6.6003 -5.5772 -5.5772 -5.5708 -5.5700 -5.5700 -5.5684 6.3091 6.3091 9.8728 9.8728 10.1556 10.2913 10.3268 10.3268 11.0096 11.0096 11.0112 11.2223 11.9501 11.9501 14.1975 14.2118 14.2118 14.3290 16.7340 16.7340 16.8794 16.9322 17.0442 17.0442 19.0046 19.0046 k = 0.3409 0.1968 0.1392 ( 3245 PWs) bands (ev): -70.5086 -70.5086 -47.5044 -47.5044 -39.3240 -39.3240 -34.8523 -34.8523 -34.8521 -34.8521 -21.8145 -21.8145 -14.0944 -14.0944 -14.0818 -14.0818 -6.6019 -6.6018 -6.6018 -6.6001 -5.5771 -5.5771 -5.5703 -5.5700 -5.5700 -5.5681 6.3761 6.3761 9.8394 9.8394 10.1574 10.2874 10.3299 10.3299 11.0007 11.0007 11.0154 11.2182 11.8624 11.8624 14.1778 14.1896 14.1896 14.3037 16.7553 16.7553 16.9120 16.9631 17.0564 17.0564 18.8954 18.8954 k = 0.3523 0.2034 0.1438 ( 3245 PWs) bands (ev): -70.5086 -70.5086 -47.5044 -47.5044 -39.3240 -39.3240 -34.8523 -34.8523 -34.8521 -34.8521 -21.8145 -21.8145 -14.0950 -14.0950 -14.0819 -14.0819 -6.6017 -6.6015 -6.6015 -6.6000 -5.5769 -5.5769 -5.5698 -5.5698 -5.5698 -5.5677 6.4425 6.4425 9.8050 9.8050 10.1597 10.2835 10.3336 10.3336 10.9906 10.9906 11.0197 11.2131 11.7810 11.7810 14.1598 14.1687 14.1687 14.2793 16.7761 16.7761 16.9455 16.9946 17.0706 17.0706 18.7914 18.7914 k = 0.3636 0.2099 0.1485 ( 3233 PWs) bands (ev): -70.5085 -70.5085 -47.5044 -47.5044 -39.3240 -39.3240 -34.8523 -34.8523 -34.8521 -34.8521 -21.8146 -21.8146 -14.0956 -14.0956 -14.0820 -14.0820 -6.6013 -6.6011 -6.6011 -6.5997 -5.5766 -5.5766 -5.5696 -5.5696 -5.5692 -5.5672 6.5078 6.5078 9.7698 9.7698 10.1627 10.2798 10.3380 10.3380 10.9793 10.9793 11.0241 11.2072 11.7060 11.7060 14.1434 14.1494 14.1494 14.2560 16.7958 16.7958 16.9794 17.0262 17.0867 17.0867 18.6933 18.6933 k = 0.3750 0.2165 0.1531 ( 3230 PWs) bands (ev): -70.5085 -70.5085 -47.5044 -47.5044 -39.3240 -39.3240 -34.8523 -34.8523 -34.8521 -34.8521 -21.8146 -21.8146 -14.0961 -14.0961 -14.0821 -14.0821 -6.6010 -6.6008 -6.6008 -6.5995 -5.5764 -5.5764 -5.5695 -5.5695 -5.5687 -5.5668 6.5717 6.5717 9.7341 9.7341 10.1662 10.2760 10.3428 10.3428 10.9667 10.9667 11.0286 11.2004 11.6378 11.6378 14.1287 14.1315 14.1315 14.2339 16.8141 16.8141 17.0132 17.0575 17.1045 17.1045 18.6013 18.6013 k = 0.3864 0.2231 0.1577 ( 3227 PWs) bands (ev): -70.5085 -70.5085 -47.5044 -47.5044 -39.3240 -39.3240 -34.8523 -34.8523 -34.8521 -34.8521 -21.8147 -21.8147 -14.0966 -14.0966 -14.0822 -14.0822 -6.6007 -6.6006 -6.6006 -6.5993 -5.5762 -5.5762 -5.5693 -5.5693 -5.5682 -5.5665 6.6335 6.6335 9.6982 9.6982 10.1703 10.2723 10.3480 10.3480 10.9531 10.9531 11.0332 11.1928 11.5765 11.5765 14.1151 14.1151 14.1158 14.2130 16.8309 16.8309 17.0467 17.0881 17.1237 17.1237 18.5158 18.5158 k = 0.3977 0.2296 0.1624 ( 3233 PWs) bands (ev): -70.5085 -70.5085 -47.5045 -47.5045 -39.3240 -39.3240 -34.8523 -34.8523 -34.8521 -34.8521 -21.8147 -21.8147 -14.0970 -14.0970 -14.0823 -14.0823 -6.6005 -6.6005 -6.6005 -6.5992 -5.5761 -5.5761 -5.5693 -5.5693 -5.5679 -5.5663 6.6926 6.6926 9.6626 9.6626 10.1747 10.2684 10.3534 10.3534 10.9387 10.9387 11.0379 11.1846 11.5222 11.5222 14.1002 14.1002 14.1046 14.1934 16.8459 16.8459 17.0792 17.1176 17.1440 17.1440 18.4371 18.4371 k = 0.4091 0.2362 0.1670 ( 3226 PWs) bands (ev): -70.5085 -70.5085 -47.5045 -47.5045 -39.3240 -39.3240 -34.8524 -34.8524 -34.8521 -34.8521 -21.8148 -21.8148 -14.0975 -14.0975 -14.0824 -14.0824 -6.6003 -6.6003 -6.6002 -6.5990 -5.5759 -5.5759 -5.5691 -5.5691 -5.5675 -5.5661 6.7484 6.7484 9.6278 9.6278 10.1796 10.2644 10.3590 10.3590 10.9237 10.9237 11.0431 11.1758 11.4749 11.4749 14.0870 14.0870 14.0952 14.1751 16.8594 16.8594 17.1104 17.1454 17.1649 17.1649 18.3656 18.3656 k = 0.4205 0.2427 0.1716 ( 3226 PWs) bands (ev): -70.5085 -70.5085 -47.5045 -47.5045 -39.3240 -39.3240 -34.8524 -34.8524 -34.8521 -34.8521 -21.8148 -21.8148 -14.0978 -14.0978 -14.0824 -14.0824 -6.6002 -6.6002 -6.5999 -6.5989 -5.5758 -5.5758 -5.5690 -5.5690 -5.5671 -5.5659 6.8001 6.8001 9.5945 9.5945 10.1848 10.2602 10.3645 10.3645 10.9087 10.9087 11.0486 11.1666 11.4344 11.4344 14.0753 14.0753 14.0875 14.1583 16.8711 16.8711 17.1398 17.1711 17.1856 17.1856 18.3014 18.3014 k = 0.4318 0.2493 0.1763 ( 3220 PWs) bands (ev): -70.5085 -70.5085 -47.5045 -47.5045 -39.3240 -39.3240 -34.8524 -34.8524 -34.8521 -34.8521 -21.8148 -21.8148 -14.0981 -14.0981 -14.0825 -14.0825 -6.5999 -6.5999 -6.5997 -6.5988 -5.5756 -5.5756 -5.5689 -5.5689 -5.5667 -5.5656 6.8472 6.8472 9.5634 9.5634 10.1902 10.2559 10.3699 10.3699 10.8941 10.8941 11.0546 11.1572 11.4004 11.4004 14.0651 14.0651 14.0816 14.1429 16.8812 16.8812 17.1668 17.1942 17.2056 17.2056 18.2448 18.2448 k = 0.4432 0.2559 0.1809 ( 3220 PWs) bands (ev): -70.5085 -70.5085 -47.5045 -47.5045 -39.3240 -39.3240 -34.8524 -34.8524 -34.8521 -34.8521 -21.8149 -21.8149 -14.0984 -14.0984 -14.0826 -14.0826 -6.5998 -6.5998 -6.5995 -6.5988 -5.5755 -5.5755 -5.5688 -5.5688 -5.5664 -5.5655 6.8886 6.8886 9.5352 9.5352 10.1959 10.2513 10.3750 10.3750 10.8804 10.8804 11.0610 11.1476 11.3725 11.3725 14.0565 14.0565 14.0775 14.1289 16.8897 16.8897 17.1911 17.2143 17.2240 17.2240 18.1963 18.1963 k = 0.4545 0.2624 0.1856 ( 3220 PWs) bands (ev): -70.5085 -70.5085 -47.5045 -47.5045 -39.3240 -39.3240 -34.8524 -34.8524 -34.8521 -34.8521 -21.8149 -21.8149 -14.0986 -14.0986 -14.0826 -14.0826 -6.5997 -6.5997 -6.5993 -6.5988 -5.5755 -5.5755 -5.5688 -5.5688 -5.5661 -5.5654 6.9239 6.9239 9.5108 9.5108 10.2017 10.2465 10.3795 10.3795 10.8682 10.8682 11.0679 11.1378 11.3504 11.3504 14.0495 14.0495 14.0751 14.1165 16.8966 16.8966 17.2121 17.2310 17.2403 17.2403 18.1560 18.1560 k = 0.4659 0.2690 0.1902 ( 3208 PWs) bands (ev): -70.5085 -70.5085 -47.5045 -47.5045 -39.3240 -39.3240 -34.8524 -34.8524 -34.8521 -34.8521 -21.8149 -21.8149 -14.0988 -14.0988 -14.0826 -14.0826 -6.5995 -6.5995 -6.5991 -6.5986 -5.5753 -5.5753 -5.5686 -5.5686 -5.5657 -5.5652 6.9521 6.9521 9.4909 9.4909 10.2076 10.2415 10.3833 10.3833 10.8582 10.8582 11.0754 11.1282 11.3337 11.3337 14.0441 14.0441 14.0744 14.1057 16.9021 16.9021 17.2294 17.2438 17.2538 17.2538 18.1242 18.1242 k = 0.4773 0.2756 0.1948 ( 3211 PWs) bands (ev): -70.5085 -70.5085 -47.5045 -47.5045 -39.3240 -39.3240 -34.8524 -34.8524 -34.8521 -34.8521 -21.8149 -21.8149 -14.0989 -14.0989 -14.0827 -14.0827 -6.5995 -6.5995 -6.5990 -6.5987 -5.5753 -5.5753 -5.5686 -5.5686 -5.5656 -5.5652 6.9728 6.9728 9.4762 9.4762 10.2135 10.2362 10.3861 10.3861 10.8506 10.8506 11.0832 11.1186 11.3220 11.3220 14.0402 14.0402 14.0755 14.0964 16.9059 16.9059 17.2428 17.2524 17.2639 17.2639 18.1013 18.1013 k = 0.4886 0.2821 0.1995 ( 3214 PWs) bands (ev): -70.5085 -70.5085 -47.5045 -47.5045 -39.3240 -39.3240 -34.8524 -34.8524 -34.8521 -34.8521 -21.8149 -21.8149 -14.0990 -14.0990 -14.0827 -14.0827 -6.5995 -6.5995 -6.5989 -6.5987 -5.5753 -5.5753 -5.5687 -5.5687 -5.5654 -5.5653 6.9854 6.9854 9.4671 9.4671 10.2193 10.2307 10.3878 10.3878 10.8458 10.8458 11.0915 11.1092 11.3150 11.3150 14.0379 14.0379 14.0782 14.0887 16.9082 16.9082 17.2519 17.2567 17.2701 17.2701 18.0874 18.0874 k = 0.5000 0.2887 0.2041 ( 3214 PWs) bands (ev): -70.5085 -70.5085 -47.5045 -47.5045 -39.3240 -39.3240 -34.8524 -34.8524 -34.8521 -34.8521 -21.8149 -21.8149 -14.0990 -14.0990 -14.0827 -14.0827 -6.5995 -6.5995 -6.5988 -6.5988 -5.5753 -5.5753 -5.5687 -5.5687 -5.5653 -5.5653 6.9896 6.9896 9.4640 9.4640 10.2251 10.2251 10.3884 10.3884 10.8442 10.8442 11.1002 11.1002 11.3127 11.3127 14.0371 14.0371 14.0827 14.0827 16.9090 16.9090 17.2566 17.2566 17.2722 17.2722 18.0828 18.0828 k = 0.5000 0.2887 0.2041 ( 3214 PWs) bands (ev): -70.5085 -70.5085 -47.5045 -47.5045 -39.3240 -39.3240 -34.8524 -34.8524 -34.8521 -34.8521 -21.8149 -21.8149 -14.0990 -14.0990 -14.0827 -14.0827 -6.5995 -6.5995 -6.5988 -6.5988 -5.5753 -5.5753 -5.5687 -5.5687 -5.5653 -5.5653 6.9896 6.9896 9.4640 9.4640 10.2251 10.2251 10.3884 10.3884 10.8442 10.8442 11.1002 11.1002 11.3127 11.3127 14.0371 14.0371 14.0827 14.0827 16.9090 16.9090 17.2566 17.2566 17.2722 17.2722 18.0828 18.0828 k = 0.5040 0.2770 0.2107 ( 3214 PWs) bands (ev): -70.5085 -70.5085 -47.5045 -47.5045 -39.3240 -39.3239 -34.8524 -34.8524 -34.8521 -34.8520 -21.8150 -21.8149 -14.0991 -14.0989 -14.0827 -14.0827 -6.5996 -6.5995 -6.5988 -6.5988 -5.5753 -5.5753 -5.5687 -5.5686 -5.5653 -5.5653 6.9883 6.9913 9.4636 9.4667 10.2251 10.2252 10.3876 10.3896 10.8438 10.8460 11.1011 11.1011 11.3117 11.3140 14.0311 14.0388 14.0805 14.0805 16.9016 16.9135 17.2540 17.2541 17.2678 17.2731 18.0885 18.0948 k = 0.5081 0.2654 0.2173 ( 3216 PWs) bands (ev): -70.5085 -70.5085 -47.5045 -47.5045 -39.3240 -39.3239 -34.8524 -34.8524 -34.8521 -34.8519 -21.8151 -21.8148 -14.0992 -14.0988 -14.0827 -14.0827 -6.5997 -6.5995 -6.5988 -6.5988 -5.5754 -5.5753 -5.5687 -5.5686 -5.5654 -5.5654 6.9874 6.9935 9.4654 9.4715 10.2252 10.2253 10.3870 10.3910 10.8447 10.8491 11.1037 11.1037 11.3108 11.3157 14.0203 14.0356 14.0744 14.0745 16.8909 16.9152 17.2444 17.2446 17.2631 17.2724 18.1117 18.1235 k = 0.5121 0.2538 0.2239 ( 3219 PWs) bands (ev): -70.5085 -70.5085 -47.5045 -47.5045 -39.3241 -39.3239 -34.8524 -34.8524 -34.8522 -34.8519 -21.8152 -21.8147 -14.0992 -14.0987 -14.0828 -14.0828 -6.5998 -6.5996 -6.5988 -6.5988 -5.5754 -5.5753 -5.5688 -5.5687 -5.5655 -5.5655 6.9869 6.9960 9.4695 9.4786 10.2253 10.2257 10.3869 10.3926 10.8469 10.8536 11.1081 11.1082 11.3101 11.3177 14.0038 14.0259 14.0659 14.0664 16.8767 16.9146 17.2269 17.2283 17.2602 17.2721 18.1508 18.1668 k = 0.5161 0.2421 0.2305 ( 3225 PWs) bands (ev): -70.5085 -70.5085 -47.5045 -47.5045 -39.3241 -39.3238 -34.8525 -34.8524 -34.8522 -34.8518 -21.8153 -21.8146 -14.0993 -14.0986 -14.0829 -14.0829 -6.6000 -6.5997 -6.5989 -6.5988 -5.5755 -5.5754 -5.5689 -5.5687 -5.5657 -5.5656 6.9869 6.9989 9.4760 9.4878 10.2254 10.2263 10.3874 10.3943 10.8501 10.8594 11.1142 11.1145 11.3095 11.3203 13.9808 14.0077 14.0557 14.0584 16.8590 16.9116 17.2031 17.2081 17.2580 17.2724 18.2032 18.2222 k = 0.5202 0.2305 0.2370 ( 3223 PWs) bands (ev): -70.5085 -70.5085 -47.5045 -47.5045 -39.3241 -39.3238 -34.8526 -34.8525 -34.8522 -34.8517 -21.8153 -21.8146 -14.0993 -14.0984 -14.0830 -14.0830 -6.6002 -6.5997 -6.5988 -6.5988 -5.5756 -5.5754 -5.5689 -5.5687 -5.5658 -5.5657 6.9874 7.0020 9.4848 9.4992 10.2253 10.2271 10.3884 10.3961 10.8544 10.8664 11.1219 11.1226 11.3089 11.3235 13.9510 13.9810 14.0445 14.0508 16.8379 16.9065 17.1754 17.1864 17.2561 17.2731 18.2665 18.2871 k = 0.5242 0.2188 0.2436 ( 3226 PWs) bands (ev): -70.5085 -70.5085 -47.5045 -47.5045 -39.3242 -39.3238 -34.8526 -34.8525 -34.8521 -34.8517 -21.8154 -21.8145 -14.0993 -14.0983 -14.0831 -14.0831 -6.6004 -6.5999 -6.5989 -6.5988 -5.5756 -5.5754 -5.5690 -5.5687 -5.5659 -5.5658 6.9882 7.0055 9.4961 9.5127 10.2251 10.2281 10.3900 10.3980 10.8596 10.8746 11.1313 11.1325 11.3084 11.3274 13.9145 13.9467 14.0327 14.0431 16.8136 16.8990 17.1459 17.1645 17.2545 17.2740 18.3379 18.3594 k = 0.5282 0.2072 0.2502 ( 3226 PWs) bands (ev): -70.5085 -70.5085 -47.5045 -47.5045 -39.3242 -39.3237 -34.8527 -34.8525 -34.8521 -34.8516 -21.8155 -21.8144 -14.0993 -14.0981 -14.0833 -14.0832 -6.6006 -6.6000 -6.5989 -6.5988 -5.5757 -5.5754 -5.5690 -5.5686 -5.5661 -5.5659 6.9895 7.0091 9.5098 9.5284 10.2246 10.2294 10.3924 10.3999 10.8655 10.8839 11.1421 11.1443 11.3079 11.3323 13.8720 13.9058 14.0201 14.0346 16.7864 16.8885 17.1165 17.1431 17.2533 17.2752 18.4149 18.4367 k = 0.5323 0.1956 0.2568 ( 3229 PWs) bands (ev): -70.5085 -70.5085 -47.5045 -47.5045 -39.3242 -39.3237 -34.8528 -34.8525 -34.8521 -34.8515 -21.8156 -21.8144 -14.0993 -14.0979 -14.0835 -14.0834 -6.6008 -6.6001 -6.5989 -6.5989 -5.5758 -5.5754 -5.5691 -5.5686 -5.5663 -5.5660 6.9912 7.0130 9.5260 9.5463 10.2239 10.2309 10.3955 10.4018 10.8719 10.8941 11.1542 11.1578 11.3073 11.3383 13.8238 13.8589 14.0067 14.0253 16.7568 16.8742 17.0891 17.1228 17.2524 17.2767 18.4947 18.5167 k = 0.5363 0.1839 0.2634 ( 3229 PWs) bands (ev): -70.5085 -70.5085 -47.5045 -47.5045 -39.3243 -39.3237 -34.8528 -34.8525 -34.8521 -34.8514 -21.8156 -21.8143 -14.0992 -14.0977 -14.0837 -14.0836 -6.6010 -6.6002 -6.5989 -6.5989 -5.5759 -5.5755 -5.5693 -5.5686 -5.5665 -5.5661 6.9932 7.0169 9.5448 9.5664 10.2230 10.2326 10.3994 10.4037 10.8786 10.9051 11.1675 11.1731 11.3068 11.3457 13.7708 13.8065 13.9925 14.0150 16.7249 16.8550 17.0657 17.1036 17.2520 17.2787 18.5739 18.5964 k = 0.5403 0.1723 0.2700 ( 3227 PWs) bands (ev): -70.5085 -70.5085 -47.5045 -47.5045 -39.3243 -39.3236 -34.8529 -34.8526 -34.8521 -34.8514 -21.8157 -21.8142 -14.0992 -14.0974 -14.0839 -14.0837 -6.6012 -6.6003 -6.5989 -6.5989 -5.5760 -5.5754 -5.5694 -5.5685 -5.5667 -5.5661 6.9956 7.0210 9.5660 9.5887 10.2219 10.2346 10.4042 10.4057 10.8855 10.9167 11.1816 11.1901 11.3062 11.3546 13.7133 13.7492 13.9776 14.0039 16.6911 16.8299 17.0477 17.0858 17.2522 17.2812 18.6477 18.6717 k = 0.5444 0.1606 0.2766 ( 3219 PWs) bands (ev): -70.5085 -70.5085 -47.5045 -47.5045 -39.3243 -39.3236 -34.8529 -34.8526 -34.8521 -34.8513 -21.8158 -21.8142 -14.0991 -14.0972 -14.0841 -14.0839 -6.6014 -6.6004 -6.5989 -6.5989 -5.5760 -5.5753 -5.5695 -5.5684 -5.5669 -5.5661 6.9982 7.0251 9.5898 9.6131 10.2207 10.2369 10.4078 10.4099 10.8924 10.9287 11.1962 11.2086 11.3057 11.3655 13.6519 13.6875 13.9621 13.9920 16.6555 16.7987 17.0355 17.0694 17.2530 17.2843 18.7079 18.7356 k = 0.5484 0.1490 0.2831 ( 3223 PWs) bands (ev): -70.5085 -70.5085 -47.5045 -47.5045 -39.3243 -39.3236 -34.8530 -34.8526 -34.8521 -34.8512 -21.8159 -21.8141 -14.0991 -14.0970 -14.0844 -14.0841 -6.6016 -6.6006 -6.5990 -6.5990 -5.5762 -5.5754 -5.5697 -5.5684 -5.5672 -5.5661 7.0012 7.0292 9.6161 9.6396 10.2194 10.2393 10.4099 10.4163 10.8990 10.9410 11.2109 11.2280 11.3056 11.3785 13.5872 13.6219 13.9460 13.9794 16.6181 16.7621 17.0290 17.0547 17.2544 17.2881 18.7417 18.7774 k = 0.5524 0.1374 0.2897 ( 3225 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3244 -39.3235 -34.8531 -34.8526 -34.8521 -34.8512 -21.8159 -21.8141 -14.0990 -14.0967 -14.0847 -14.0843 -6.6019 -6.6008 -6.5990 -6.5990 -5.5764 -5.5754 -5.5700 -5.5685 -5.5675 -5.5661 7.0043 7.0332 9.6447 9.6682 10.2181 10.2419 10.4122 10.4236 10.9052 10.9535 11.2254 11.2477 11.3066 11.3938 13.5198 13.5530 13.9295 13.9663 16.5789 16.7211 17.0272 17.0419 17.2565 17.2926 18.7369 18.7857 k = 0.5565 0.1257 0.2963 ( 3221 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3244 -39.3235 -34.8531 -34.8527 -34.8520 -34.8511 -21.8160 -21.8140 -14.0990 -14.0965 -14.0849 -14.0845 -6.6021 -6.6009 -6.5991 -6.5990 -5.5764 -5.5754 -5.5702 -5.5685 -5.5677 -5.5660 7.0076 7.0371 9.6755 9.6987 10.2171 10.2448 10.4148 10.4316 10.9109 10.9659 11.2394 11.2651 11.3110 11.4115 13.4501 13.4813 13.9127 13.9528 16.5380 16.6765 17.0296 17.0309 17.2593 17.2979 18.6951 18.7591 k = 0.5605 0.1141 0.3029 ( 3217 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3244 -39.3235 -34.8531 -34.8527 -34.8520 -34.8511 -21.8160 -21.8140 -14.0989 -14.0962 -14.0852 -14.0847 -6.6023 -6.6010 -6.5991 -6.5991 -5.5765 -5.5754 -5.5704 -5.5686 -5.5677 -5.5660 7.0111 7.0409 9.7084 9.7312 10.2167 10.2480 10.4176 10.4403 10.9159 10.9782 11.2528 11.2759 11.3228 11.4316 13.3789 13.4073 13.8959 13.9390 16.4956 16.6292 17.0221 17.0353 17.2628 17.3041 18.6296 18.7086 k = 0.5645 0.1024 0.3095 ( 3216 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3244 -39.3234 -34.8532 -34.8527 -34.8520 -34.8510 -21.8161 -21.8140 -14.0988 -14.0959 -14.0856 -14.0849 -6.6025 -6.6011 -6.5992 -6.5992 -5.5767 -5.5754 -5.5707 -5.5689 -5.5677 -5.5659 7.0146 7.0446 9.7430 9.7653 10.2171 10.2515 10.4208 10.4497 10.9200 10.9902 11.2653 11.2793 11.3426 11.4538 13.3066 13.3317 13.8791 13.9252 16.4516 16.5799 17.0155 17.0440 17.2670 17.3112 18.5527 18.6460 k = 0.5685 0.0908 0.3161 ( 3218 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3244 -39.3234 -34.8532 -34.8527 -34.8520 -34.8510 -21.8161 -21.8139 -14.0988 -14.0956 -14.0859 -14.0851 -6.6028 -6.6013 -6.5993 -6.5993 -5.5769 -5.5754 -5.5710 -5.5692 -5.5677 -5.5658 7.0182 7.0480 9.7787 9.8009 10.2187 10.2554 10.4244 10.4598 10.9233 11.0016 11.2771 11.2787 11.3667 11.4776 13.2340 13.2551 13.8625 13.9114 16.4062 16.5292 17.0110 17.0553 17.2720 17.3193 18.4712 18.5787 k = 0.5726 0.0792 0.3226 ( 3214 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3244 -39.3234 -34.8533 -34.8528 -34.8520 -34.8509 -21.8162 -21.8139 -14.0987 -14.0953 -14.0862 -14.0853 -6.6029 -6.6014 -6.5994 -6.5993 -5.5770 -5.5754 -5.5713 -5.5695 -5.5676 -5.5657 7.0217 7.0513 9.8151 9.8376 10.2223 10.2600 10.4285 10.4705 10.9256 11.0124 11.2761 11.2882 11.3926 11.5025 13.1618 13.1783 13.8463 13.8979 16.3598 16.4774 17.0088 17.0689 17.2777 17.3283 18.3890 18.5107 k = 0.5766 0.0675 0.3292 ( 3218 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3245 -39.3234 -34.8533 -34.8528 -34.8520 -34.8509 -21.8162 -21.8139 -14.0987 -14.0951 -14.0865 -14.0855 -6.6032 -6.6016 -6.5995 -6.5995 -5.5772 -5.5754 -5.5717 -5.5699 -5.5676 -5.5656 7.0252 7.0542 9.8512 9.8750 10.2285 10.2654 10.4331 10.4816 10.9270 11.0223 11.2723 11.2985 11.4190 11.5276 13.0909 13.1021 13.8307 13.8847 16.3126 16.4251 17.0088 17.0847 17.2842 17.3384 18.3081 18.4442 k = 0.5806 0.0559 0.3358 ( 3220 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3245 -39.3234 -34.8533 -34.8528 -34.8520 -34.8508 -21.8163 -21.8139 -14.0986 -14.0948 -14.0868 -14.0856 -6.6034 -6.6018 -6.5997 -6.5996 -5.5774 -5.5755 -5.5720 -5.5703 -5.5675 -5.5655 7.0285 7.0569 9.8859 9.9126 10.2383 10.2720 10.4383 10.4933 10.9274 11.0313 11.2676 11.3081 11.4452 11.5524 13.0223 13.0275 13.8159 13.8721 16.2649 16.3726 17.0108 17.1024 17.2913 17.3494 18.2298 18.3802 k = 0.5847 0.0442 0.3424 ( 3219 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3245 -39.3233 -34.8534 -34.8528 -34.8520 -34.8508 -21.8163 -21.8138 -14.0986 -14.0946 -14.0872 -14.0858 -6.6036 -6.6019 -6.5998 -6.5997 -5.5776 -5.5755 -5.5723 -5.5707 -5.5674 -5.5654 7.0317 7.0593 9.9179 9.9494 10.2531 10.2804 10.4441 10.5054 10.9270 11.0390 11.2623 11.3171 11.4705 11.5758 12.9554 12.9571 13.8019 13.8601 16.2171 16.3203 17.0148 17.1220 17.2991 17.3613 18.1548 18.3195 k = 0.5887 0.0326 0.3490 ( 3220 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3245 -39.3233 -34.8534 -34.8528 -34.8520 -34.8508 -21.8163 -21.8138 -14.0985 -14.0943 -14.0875 -14.0859 -6.6038 -6.6020 -6.5999 -6.5998 -5.5778 -5.5755 -5.5726 -5.5711 -5.5673 -5.5653 7.0347 7.0613 9.9457 9.9845 10.2738 10.2913 10.4505 10.5179 10.9258 11.0453 11.2564 11.3254 11.4940 11.5969 12.8872 12.8965 13.7890 13.8490 16.1696 16.2686 17.0206 17.1432 17.3074 17.3740 18.0837 18.2623 k = 0.5927 0.0210 0.3556 ( 3224 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3245 -39.3233 -34.8534 -34.8529 -34.8520 -34.8508 -21.8164 -21.8138 -14.0985 -14.0941 -14.0877 -14.0860 -6.6040 -6.6022 -6.6001 -6.6000 -5.5780 -5.5756 -5.5730 -5.5715 -5.5672 -5.5652 7.0374 7.0629 9.9684 10.0166 10.3013 10.3054 10.4575 10.5307 10.9240 11.0499 11.2500 11.3328 11.5150 11.6145 12.8240 12.8419 13.7774 13.8388 16.1226 16.2178 17.0281 17.1661 17.3163 17.3872 18.0171 18.2084 k = 0.5968 0.0093 0.3622 ( 3221 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3245 -39.3233 -34.8534 -34.8529 -34.8520 -34.8507 -21.8164 -21.8138 -14.0985 -14.0939 -14.0880 -14.0861 -6.6041 -6.6024 -6.6002 -6.6000 -5.5781 -5.5755 -5.5733 -5.5719 -5.5671 -5.5651 7.0397 7.0641 9.9855 10.0445 10.3236 10.3355 10.4652 10.5438 10.9219 11.0525 11.2433 11.3395 11.5327 11.6277 12.7674 12.7948 13.7671 13.8296 16.0766 16.1683 17.0371 17.1904 17.3254 17.4005 17.9554 18.1575 k = 0.6008-0.0023 0.3687 ( 3223 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3245 -39.3233 -34.8534 -34.8529 -34.8520 -34.8507 -21.8164 -21.8138 -14.0985 -14.0937 -14.0882 -14.0861 -6.6043 -6.6025 -6.6004 -6.6002 -5.5783 -5.5756 -5.5736 -5.5723 -5.5670 -5.5650 7.0416 7.0649 9.9974 10.0671 10.3461 10.3755 10.4733 10.5572 10.9198 11.0529 11.2364 11.3452 11.5463 11.6354 12.7187 12.7565 13.7583 13.8216 16.0319 16.1203 17.0473 17.2160 17.3345 17.4132 17.8991 18.1086 k = 0.6048-0.0140 0.3753 ( 3223 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3245 -39.3233 -34.8534 -34.8529 -34.8520 -34.8507 -21.8164 -21.8138 -14.0985 -14.0936 -14.0884 -14.0862 -6.6044 -6.6027 -6.6006 -6.6002 -5.5784 -5.5756 -5.5739 -5.5727 -5.5669 -5.5649 7.0429 7.0652 10.0047 10.0839 10.3724 10.4197 10.4822 10.5708 10.9181 11.0510 11.2295 11.3500 11.5553 11.6369 12.6795 12.7283 13.7510 13.8147 15.9887 16.0741 17.0585 17.2430 17.3433 17.4245 17.8493 18.0598 k = 0.6089-0.0256 0.3819 ( 3219 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3245 -39.3233 -34.8534 -34.8529 -34.8520 -34.8507 -21.8164 -21.8138 -14.0985 -14.0935 -14.0885 -14.0862 -6.6044 -6.6028 -6.6007 -6.6002 -5.5785 -5.5756 -5.5741 -5.5730 -5.5667 -5.5648 7.0438 7.0648 10.0085 10.0952 10.4011 10.4662 10.4918 10.5847 10.9175 11.0470 11.2228 11.3538 11.5595 11.6321 12.6507 12.7110 13.7453 13.8092 15.9473 16.0299 17.0706 17.2711 17.3514 17.4327 17.8069 18.0086 k = 0.6129-0.0372 0.3885 ( 3219 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3245 -39.3233 -34.8534 -34.8529 -34.8520 -34.8507 -21.8164 -21.8138 -14.0985 -14.0934 -14.0885 -14.0862 -6.6045 -6.6029 -6.6009 -6.6003 -5.5785 -5.5756 -5.5744 -5.5733 -5.5666 -5.5647 7.0439 7.0639 10.0091 10.1012 10.4300 10.5027 10.5122 10.5993 10.9187 11.0414 11.2164 11.3567 11.5591 11.6213 12.6329 12.7047 13.7414 13.8049 15.9080 15.9881 17.0832 17.3002 17.3578 17.4358 17.7732 17.9535 k = 0.6169-0.0489 0.3951 ( 3218 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3245 -39.3233 -34.8534 -34.8529 -34.8520 -34.8507 -21.8164 -21.8138 -14.0985 -14.0935 -14.0885 -14.0861 -6.6045 -6.6031 -6.6011 -6.6004 -5.5786 -5.5757 -5.5747 -5.5736 -5.5665 -5.5646 7.0433 7.0622 10.0073 10.1025 10.4561 10.5156 10.5543 10.6155 10.9226 11.0357 11.2103 11.3587 11.5549 11.6058 12.6262 12.7090 13.7391 13.8020 15.8709 15.9487 17.0962 17.3301 17.3614 17.4317 17.7482 17.8852 k = 0.6210-0.0605 0.4017 ( 3218 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3245 -39.3233 -34.8534 -34.8529 -34.8520 -34.8507 -21.8164 -21.8139 -14.0986 -14.0935 -14.0885 -14.0861 -6.6046 -6.6032 -6.6012 -6.6004 -5.5787 -5.5757 -5.5749 -5.5739 -5.5664 -5.5646 7.0418 7.0598 10.0031 10.0995 10.4766 10.5313 10.5868 10.6357 10.9300 11.0321 11.2044 11.3601 11.5483 11.5870 12.6302 12.7230 13.7386 13.8004 15.8362 15.9118 17.1090 17.3599 17.3608 17.4197 17.7258 17.8220 k = 0.6250-0.0722 0.4082 ( 3212 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3244 -39.3233 -34.8534 -34.8529 -34.8520 -34.8507 -21.8164 -21.8139 -14.0986 -14.0936 -14.0884 -14.0860 -6.6045 -6.6033 -6.6014 -6.6004 -5.5787 -5.5758 -5.5751 -5.5740 -5.5663 -5.5645 7.0394 7.0565 9.9967 10.0925 10.4908 10.5487 10.6066 10.6590 10.9413 11.0338 11.1987 11.3612 11.5410 11.5670 12.6440 12.7457 13.7398 13.8001 15.8040 15.8777 17.1216 17.3539 17.3800 17.4092 17.6871 17.7922 k = 0.6250-0.0722 0.4082 ( 3212 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3244 -39.3233 -34.8534 -34.8529 -34.8520 -34.8507 -21.8164 -21.8139 -14.0986 -14.0936 -14.0884 -14.0860 -6.6045 -6.6033 -6.6014 -6.6004 -5.5787 -5.5758 -5.5751 -5.5740 -5.5663 -5.5645 7.0394 7.0565 9.9967 10.0925 10.4908 10.5487 10.6066 10.6590 10.9413 11.0338 11.1987 11.3612 11.5410 11.5670 12.6440 12.7457 13.7398 13.8001 15.8040 15.8777 17.1216 17.3539 17.3800 17.4092 17.6871 17.7922 k = 0.6181-0.0682 0.4196 ( 3218 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3245 -39.3233 -34.8534 -34.8530 -34.8520 -34.8507 -21.8164 -21.8139 -14.0986 -14.0936 -14.0884 -14.0860 -6.6046 -6.6033 -6.6015 -6.6005 -5.5788 -5.5759 -5.5751 -5.5740 -5.5663 -5.5646 7.0396 7.0566 9.9959 10.0928 10.4873 10.5444 10.6140 10.6648 10.9409 11.0340 11.1985 11.3608 11.5407 11.5680 12.6402 12.7412 13.7382 13.8004 15.8080 15.8814 17.1188 17.3359 17.3806 17.4163 17.6700 17.7854 k = 0.6111-0.0642 0.4309 ( 3218 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3245 -39.3233 -34.8534 -34.8530 -34.8520 -34.8507 -21.8164 -21.8139 -14.0986 -14.0936 -14.0884 -14.0861 -6.6047 -6.6032 -6.6014 -6.6005 -5.5788 -5.5760 -5.5750 -5.5740 -5.5664 -5.5646 7.0400 7.0570 9.9938 10.0937 10.4783 10.5360 10.6316 10.6811 10.9397 11.0349 11.1981 11.3596 11.5400 11.5706 12.6289 12.7281 13.7337 13.8011 15.8197 15.8927 17.1104 17.3003 17.3743 17.4276 17.6345 17.7746 k = 0.6042-0.0601 0.4423 ( 3218 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3245 -39.3233 -34.8534 -34.8530 -34.8520 -34.8507 -21.8164 -21.8139 -14.0985 -14.0935 -14.0884 -14.0861 -6.6048 -6.6031 -6.6014 -6.6005 -5.5788 -5.5762 -5.5748 -5.5739 -5.5664 -5.5646 7.0408 7.0576 9.9904 10.0952 10.4666 10.5282 10.6540 10.7051 10.9378 11.0365 11.1974 11.3579 11.5393 11.5746 12.6102 12.7064 13.7268 13.8019 15.8390 15.9111 17.0968 17.2567 17.3615 17.4321 17.5965 17.7617 k = 0.5972-0.0561 0.4536 ( 3222 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3245 -39.3233 -34.8534 -34.8530 -34.8520 -34.8507 -21.8164 -21.8139 -14.0985 -14.0935 -14.0885 -14.0863 -6.6050 -6.6030 -6.6015 -6.6005 -5.5790 -5.5764 -5.5746 -5.5738 -5.5665 -5.5647 7.0419 7.0584 9.9858 10.0969 10.4545 10.5227 10.6783 10.7346 10.9352 11.0393 11.1966 11.3555 11.5388 11.5796 12.5843 12.6766 13.7183 13.8025 15.8654 15.9363 17.0782 17.2078 17.3432 17.4245 17.5644 17.7494 k = 0.5903-0.0521 0.4649 ( 3226 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3245 -39.3233 -34.8534 -34.8530 -34.8520 -34.8506 -21.8164 -21.8138 -14.0985 -14.0934 -14.0886 -14.0864 -6.6052 -6.6029 -6.6015 -6.6005 -5.5791 -5.5766 -5.5745 -5.5736 -5.5666 -5.5648 7.0433 7.0594 9.9805 10.0988 10.4438 10.5202 10.7030 10.7682 10.9321 11.0437 11.1958 11.3526 11.5388 11.5854 12.5513 12.6391 13.7087 13.8027 15.8983 15.9679 17.0553 17.1553 17.3201 17.4024 17.5426 17.7392 k = 0.5833-0.0481 0.4763 ( 3222 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3245 -39.3233 -34.8534 -34.8530 -34.8520 -34.8506 -21.8164 -21.8138 -14.0984 -14.0933 -14.0886 -14.0865 -6.6053 -6.6027 -6.6014 -6.6005 -5.5792 -5.5767 -5.5742 -5.5734 -5.5666 -5.5648 7.0449 7.0607 9.9746 10.1005 10.4353 10.5208 10.7266 10.8048 10.9287 11.0504 11.1952 11.3495 11.5397 11.5920 12.5115 12.5944 13.6987 13.8023 15.9370 16.0052 17.0289 17.1008 17.2927 17.3690 17.5296 17.7316 k = 0.5764-0.0441 0.4876 ( 3227 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3245 -39.3233 -34.8534 -34.8530 -34.8520 -34.8506 -21.8164 -21.8138 -14.0983 -14.0931 -14.0887 -14.0867 -6.6054 -6.6027 -6.6014 -6.6005 -5.5794 -5.5769 -5.5741 -5.5732 -5.5667 -5.5649 7.0467 7.0621 9.9684 10.1019 10.4295 10.5242 10.7473 10.8435 10.9249 11.0602 11.1952 11.3462 11.5415 11.5993 12.4654 12.5434 13.6887 13.8016 15.9808 16.0475 17.0000 17.0458 17.2616 17.3299 17.5207 17.7260 k = 0.5694-0.0401 0.4990 ( 3226 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3245 -39.3233 -34.8534 -34.8531 -34.8520 -34.8506 -21.8165 -21.8138 -14.0983 -14.0930 -14.0888 -14.0869 -6.6056 -6.6025 -6.6014 -6.6006 -5.5795 -5.5770 -5.5738 -5.5729 -5.5668 -5.5650 7.0488 7.0637 9.9622 10.1030 10.4267 10.5304 10.7640 10.8838 10.9208 11.0735 11.1962 11.3430 11.5446 11.6075 12.4133 12.4868 13.6789 13.8005 16.0287 16.0942 16.9694 16.9916 17.2275 17.2888 17.5131 17.7221 k = 0.5625-0.0361 0.5103 ( 3224 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3245 -39.3233 -34.8534 -34.8531 -34.8520 -34.8506 -21.8165 -21.8138 -14.0982 -14.0928 -14.0889 -14.0871 -6.6057 -6.6023 -6.6013 -6.6006 -5.5796 -5.5770 -5.5735 -5.5727 -5.5669 -5.5651 7.0509 7.0653 9.9562 10.1038 10.4269 10.5389 10.7760 10.9163 10.9248 11.0902 11.1990 11.3401 11.5493 11.6165 12.3558 12.4256 13.6696 13.7991 16.0796 16.1444 16.9335 16.9444 17.1910 17.2476 17.5055 17.7191 k = 0.5556-0.0321 0.5217 ( 3224 PWs) bands (ev): -70.5085 -70.5085 -47.5047 -47.5045 -39.3245 -39.3233 -34.8534 -34.8531 -34.8520 -34.8506 -21.8165 -21.8138 -14.0981 -14.0927 -14.0890 -14.0874 -6.6058 -6.6022 -6.6012 -6.6006 -5.5797 -5.5771 -5.5733 -5.5725 -5.5670 -5.5651 7.0532 7.0671 9.9505 10.1041 10.4300 10.5494 10.7831 10.9115 10.9649 11.1095 11.2048 11.3378 11.5560 11.6265 12.2936 12.3606 13.6611 13.7976 16.1326 16.1975 16.8850 16.9134 17.1527 17.2068 17.4974 17.7168 k = 0.5486-0.0281 0.5330 ( 3220 PWs) bands (ev): -70.5085 -70.5085 -47.5047 -47.5045 -39.3245 -39.3232 -34.8534 -34.8531 -34.8520 -34.8505 -21.8165 -21.8138 -14.0980 -14.0925 -14.0891 -14.0876 -6.6059 -6.6020 -6.6012 -6.6006 -5.5798 -5.5772 -5.5730 -5.5723 -5.5670 -5.5652 7.0555 7.0689 9.9453 10.1042 10.4355 10.5614 10.7861 10.9061 11.0025 11.1300 11.2146 11.3369 11.5653 11.6379 12.2273 12.2930 13.6534 13.7959 16.1860 16.2527 16.8372 16.8874 17.1134 17.1669 17.4889 17.7147 k = 0.5417-0.0241 0.5443 ( 3216 PWs) bands (ev): -70.5085 -70.5085 -47.5047 -47.5045 -39.3245 -39.3232 -34.8534 -34.8532 -34.8520 -34.8505 -21.8165 -21.8137 -14.0980 -14.0923 -14.0892 -14.0879 -6.6059 -6.6019 -6.6011 -6.6006 -5.5798 -5.5772 -5.5728 -5.5721 -5.5671 -5.5652 7.0578 7.0706 9.9408 10.1042 10.4432 10.5742 10.7858 10.9004 11.0346 11.1514 11.2283 11.3380 11.5781 11.6511 12.1579 12.2237 13.6466 13.7943 16.2384 16.3093 16.7924 16.8657 17.0738 17.1279 17.4801 17.7127 k = 0.5347-0.0200 0.5557 ( 3222 PWs) bands (ev): -70.5085 -70.5085 -47.5047 -47.5045 -39.3245 -39.3232 -34.8534 -34.8532 -34.8520 -34.8505 -21.8166 -21.8137 -14.0979 -14.0921 -14.0893 -14.0882 -6.6061 -6.6018 -6.6011 -6.6007 -5.5800 -5.5773 -5.5726 -5.5720 -5.5673 -5.5654 7.0600 7.0723 9.9369 10.1041 10.4521 10.5871 10.7833 10.8947 11.0585 11.1745 11.2438 11.3424 11.5952 11.6666 12.0866 12.1539 13.6409 13.7928 16.2877 16.3662 16.7512 16.8492 17.0350 17.0901 17.4712 17.7107 k = 0.5278-0.0160 0.5670 ( 3228 PWs) bands (ev): -70.5085 -70.5085 -47.5047 -47.5045 -39.3245 -39.3232 -34.8533 -34.8532 -34.8520 -34.8505 -21.8166 -21.8137 -14.0979 -14.0919 -14.0894 -14.0884 -6.6062 -6.6018 -6.6012 -6.6008 -5.5802 -5.5775 -5.5725 -5.5719 -5.5674 -5.5655 7.0619 7.0739 9.9339 10.1041 10.4617 10.5995 10.7795 10.8893 11.0735 11.1993 11.2570 11.3517 11.6172 11.6853 12.0148 12.0846 13.6361 13.7914 16.3316 16.4224 16.7138 16.8389 16.9982 17.0540 17.4626 17.7088 k = 0.5208-0.0120 0.5784 ( 3230 PWs) bands (ev): -70.5085 -70.5085 -47.5047 -47.5045 -39.3245 -39.3232 -34.8533 -34.8532 -34.8520 -34.8505 -21.8166 -21.8137 -14.0978 -14.0917 -14.0894 -14.0887 -6.6063 -6.6017 -6.6012 -6.6008 -5.5803 -5.5775 -5.5724 -5.5718 -5.5675 -5.5655 7.0637 7.0752 9.9316 10.1043 10.4710 10.6105 10.7752 10.8849 11.0815 11.2234 11.2656 11.3654 11.6448 11.7083 11.9445 12.0174 13.6324 13.7901 16.3679 16.4763 16.6804 16.8352 16.9654 17.0202 17.4548 17.7070 k = 0.5139-0.0080 0.5897 ( 3227 PWs) bands (ev): -70.5085 -70.5085 -47.5047 -47.5045 -39.3245 -39.3232 -34.8533 -34.8532 -34.8520 -34.8505 -21.8166 -21.8137 -14.0978 -14.0915 -14.0894 -14.0889 -6.6063 -6.6016 -6.6011 -6.6008 -5.5803 -5.5775 -5.5722 -5.5717 -5.5675 -5.5655 7.0650 7.0763 9.9302 10.1046 10.4788 10.6195 10.7710 10.8819 11.0851 11.2434 11.2695 11.3807 11.6776 11.7361 11.8781 11.9544 13.6297 13.7892 16.3945 16.5253 16.6508 16.8370 16.9399 16.9900 17.4483 17.7055 k = 0.5069-0.0040 0.6010 ( 3247 PWs) bands (ev): -70.5085 -70.5085 -47.5047 -47.5045 -39.3246 -39.3232 -34.8533 -34.8533 -34.8520 -34.8505 -21.8166 -21.8137 -14.0978 -14.0914 -14.0895 -14.0891 -6.6065 -6.6018 -6.6014 -6.6010 -5.5805 -5.5777 -5.5724 -5.5720 -5.5678 -5.5657 7.0659 7.0770 9.9293 10.1049 10.4841 10.6255 10.7677 10.8804 11.0863 11.2570 11.2701 11.3928 11.7140 11.7669 11.8198 11.9002 13.6281 13.7886 16.4103 16.5664 16.6244 16.8410 16.9258 16.9661 17.4437 17.7044 k = 0.5000-0.0000 0.6124 ( 3248 PWs) bands (ev): -70.5086 -70.5085 -47.5047 -47.5045 -39.3246 -39.3232 -34.8533 -34.8533 -34.8520 -34.8505 -21.8166 -21.8137 -14.0978 -14.0914 -14.0895 -14.0891 -6.6065 -6.6018 -6.6014 -6.6011 -5.5805 -5.5777 -5.5724 -5.5720 -5.5678 -5.5657 7.0662 7.0773 9.9291 10.1050 10.4860 10.6277 10.7664 10.8802 11.0864 11.2621 11.2697 11.3977 11.7404 11.7852 11.7860 11.8732 13.6275 13.7883 16.4153 16.5920 16.6046 16.8429 16.9230 16.9555 17.4420 17.7040 k = 0.5000-0.0000 0.6124 ( 3248 PWs) bands (ev): -70.5086 -70.5085 -47.5047 -47.5045 -39.3246 -39.3232 -34.8533 -34.8533 -34.8520 -34.8505 -21.8166 -21.8137 -14.0978 -14.0914 -14.0895 -14.0891 -6.6065 -6.6018 -6.6014 -6.6011 -5.5805 -5.5777 -5.5724 -5.5720 -5.5678 -5.5657 7.0662 7.0773 9.9291 10.1050 10.4860 10.6277 10.7664 10.8802 11.0864 11.2621 11.2697 11.3977 11.7404 11.7852 11.7860 11.8732 13.6275 13.7883 16.4153 16.5920 16.6046 16.8429 16.9230 16.9555 17.4420 17.7040 k = 0.5000 0.0080 0.6010 ( 3244 PWs) bands (ev): -70.5085 -70.5085 -47.5047 -47.5045 -39.3246 -39.3232 -34.8533 -34.8533 -34.8520 -34.8505 -21.8166 -21.8137 -14.0978 -14.0914 -14.0895 -14.0891 -6.6065 -6.6018 -6.6014 -6.6010 -5.5804 -5.5777 -5.5724 -5.5719 -5.5678 -5.5656 7.0660 7.0773 9.9296 10.1054 10.4817 10.6229 10.7682 10.8813 11.0859 11.2533 11.2695 11.3880 11.7336 11.7857 11.8018 11.8878 13.6279 13.7884 16.4128 16.5925 16.6043 16.8502 16.9175 16.9628 17.4449 17.7050 k = 0.5000 0.0160 0.5897 ( 3232 PWs) bands (ev): -70.5085 -70.5085 -47.5047 -47.5045 -39.3246 -39.3232 -34.8533 -34.8532 -34.8520 -34.8505 -21.8166 -21.8137 -14.0978 -14.0915 -14.0894 -14.0890 -6.6063 -6.6017 -6.6012 -6.6008 -5.5802 -5.5775 -5.5723 -5.5718 -5.5677 -5.5655 7.0655 7.0771 9.9310 10.1064 10.4694 10.6087 10.7737 10.8837 11.0838 11.2334 11.2618 11.3661 11.7187 11.7853 11.8447 11.9258 13.6292 13.7885 16.4062 16.5841 16.6138 16.8696 16.9085 16.9784 17.4536 17.7081 k = 0.5000 0.0241 0.5784 ( 3226 PWs) bands (ev): -70.5085 -70.5085 -47.5047 -47.5045 -39.3245 -39.3232 -34.8533 -34.8532 -34.8520 -34.8505 -21.8166 -21.8137 -14.0978 -14.0916 -14.0894 -14.0889 -6.6062 -6.6016 -6.6010 -6.6008 -5.5801 -5.5774 -5.5722 -5.5716 -5.5676 -5.5655 7.0646 7.0769 9.9334 10.1080 10.4504 10.5859 10.7825 10.8852 11.0792 11.2056 11.2441 11.3454 11.7029 11.7820 11.9059 11.9784 13.6312 13.7888 16.3980 16.5696 16.6303 16.8854 16.9129 16.9979 17.4680 17.7136 k = 0.5000 0.0321 0.5670 ( 3228 PWs) bands (ev): -70.5085 -70.5085 -47.5047 -47.5045 -39.3245 -39.3232 -34.8534 -34.8532 -34.8520 -34.8505 -21.8166 -21.8137 -14.0978 -14.0917 -14.0893 -14.0888 -6.6061 -6.6017 -6.6010 -6.6007 -5.5801 -5.5773 -5.5723 -5.5715 -5.5676 -5.5656 7.0634 7.0765 9.9366 10.1099 10.4263 10.5557 10.7933 10.8833 11.0701 11.1711 11.2220 11.3322 11.6879 11.7761 11.9778 12.0404 13.6341 13.7894 16.3904 16.5542 16.6483 16.8809 16.9454 17.0207 17.4880 17.7219 k = 0.5000 0.0401 0.5557 ( 3228 PWs) bands (ev): -70.5085 -70.5085 -47.5047 -47.5045 -39.3245 -39.3232 -34.8534 -34.8532 -34.8520 -34.8505 -21.8166 -21.8137 -14.0978 -14.0919 -14.0891 -14.0886 -6.6060 -6.6017 -6.6009 -6.6007 -5.5799 -5.5772 -5.5723 -5.5714 -5.5677 -5.5656 7.0618 7.0760 9.9406 10.1119 10.3985 10.5198 10.8045 10.8762 11.0541 11.1331 11.2048 11.3246 11.6737 11.7681 12.0562 12.1090 13.6381 13.7903 16.3851 16.5400 16.6647 16.8743 16.9858 17.0471 17.5136 17.7338 k = 0.5000 0.0481 0.5443 ( 3220 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3245 -39.3232 -34.8534 -34.8531 -34.8520 -34.8505 -21.8166 -21.8137 -14.0978 -14.0921 -14.0890 -14.0884 -6.6058 -6.6016 -6.6007 -6.6006 -5.5797 -5.5770 -5.5723 -5.5711 -5.5676 -5.5656 7.0600 7.0753 9.9453 10.1137 10.3683 10.4796 10.8125 10.8650 11.0287 11.0987 11.1960 11.3197 11.6595 11.7580 12.1387 12.1823 13.6432 13.7919 16.3827 16.5284 16.6778 16.8691 17.0284 17.0773 17.5443 17.7502 k = 0.5000 0.0561 0.5330 ( 3222 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3245 -39.3232 -34.8534 -34.8531 -34.8520 -34.8505 -21.8166 -21.8137 -14.0979 -14.0924 -14.0888 -14.0882 -6.6057 -6.6017 -6.6006 -6.6005 -5.5795 -5.5769 -5.5723 -5.5710 -5.5677 -5.5657 7.0578 7.0744 9.9506 10.1144 10.3370 10.4364 10.8081 10.8576 10.9933 11.0738 11.1941 11.3161 11.6448 11.7458 12.2235 12.2592 13.6496 13.7943 16.3837 16.5200 16.6871 16.8657 17.0709 17.1110 17.5802 17.7724 k = 0.5000 0.0642 0.5217 ( 3224 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3245 -39.3232 -34.8534 -34.8531 -34.8520 -34.8506 -21.8165 -21.8137 -14.0979 -14.0926 -14.0886 -14.0880 -6.6056 -6.6017 -6.6005 -6.6005 -5.5794 -5.5768 -5.5723 -5.5709 -5.5677 -5.5657 7.0555 7.0734 9.9561 10.1129 10.3059 10.3915 10.7853 10.8608 10.9528 11.0573 11.1967 11.3131 11.6291 11.7316 12.3097 12.3390 13.6574 13.7975 16.3882 16.5152 16.6930 16.8636 17.1110 17.1475 17.6211 17.8016 k = 0.5000 0.0722 0.5103 ( 3226 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3245 -39.3233 -34.8534 -34.8531 -34.8520 -34.8506 -21.8165 -21.8137 -14.0980 -14.0929 -14.0884 -14.0878 -6.6054 -6.6017 -6.6004 -6.6004 -5.5792 -5.5767 -5.5723 -5.5707 -5.5677 -5.5658 7.0528 7.0721 9.9616 10.1074 10.2765 10.3468 10.7526 10.8652 10.9143 11.0458 11.2018 11.3103 11.6122 11.7153 12.3964 12.4210 13.6666 13.8019 16.3961 16.5141 16.6969 16.8625 17.1470 17.1853 17.6671 17.8392 k = 0.5000 0.0802 0.4990 ( 3222 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3245 -39.3233 -34.8534 -34.8530 -34.8520 -34.8506 -21.8165 -21.8137 -14.0980 -14.0931 -14.0882 -14.0876 -6.6052 -6.6016 -6.6003 -6.6002 -5.5790 -5.5765 -5.5722 -5.5705 -5.5677 -5.5658 7.0500 7.0707 9.9666 10.0958 10.2490 10.3057 10.7159 10.8508 10.8959 11.0369 11.2080 11.3076 11.5939 11.6972 12.4829 12.5049 13.6773 13.8074 16.4072 16.5167 16.6999 16.8621 17.1784 17.2219 17.7191 17.8857 k = 0.5000 0.0882 0.4876 ( 3222 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3245 -39.3233 -34.8534 -34.8530 -34.8520 -34.8506 -21.8165 -21.8138 -14.0981 -14.0934 -14.0879 -14.0873 -6.6050 -6.6016 -6.6002 -6.6001 -5.5788 -5.5763 -5.5721 -5.5703 -5.5677 -5.5659 7.0470 7.0690 9.9701 10.0764 10.2200 10.2750 10.6781 10.8153 10.8993 11.0295 11.2146 11.3050 11.5742 11.6772 12.5687 12.5905 13.6896 13.8142 16.4210 16.5230 16.7033 16.8622 17.2049 17.2551 17.7777 17.9409 k = 0.5000 0.0962 0.4763 ( 3232 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3245 -39.3233 -34.8534 -34.8530 -34.8520 -34.8507 -21.8164 -21.8138 -14.0982 -14.0937 -14.0877 -14.0871 -6.6049 -6.6017 -6.6003 -6.6001 -5.5787 -5.5763 -5.5721 -5.5702 -5.5679 -5.5661 7.0438 7.0672 9.9704 10.0499 10.1863 10.2597 10.6403 10.7771 10.9062 11.0228 11.2208 11.3025 11.5530 11.6554 12.6538 12.6770 13.7034 13.8223 16.4369 16.5329 16.7081 16.8628 17.2266 17.2832 17.8437 18.0040 k = 0.5000 0.1042 0.4649 ( 3222 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3245 -39.3233 -34.8534 -34.8529 -34.8520 -34.8507 -21.8164 -21.8138 -14.0982 -14.0939 -14.0874 -14.0869 -6.6045 -6.6015 -6.6000 -6.5998 -5.5783 -5.5760 -5.5719 -5.5700 -5.5678 -5.5660 7.0404 7.0651 9.9647 10.0186 10.1536 10.2555 10.6037 10.7400 10.9128 11.0165 11.2263 11.3002 11.5306 11.6322 12.7382 12.7639 13.7188 13.8317 16.4544 16.5462 16.7152 16.8641 17.2436 17.3059 17.9173 18.0739 k = 0.5000 0.1123 0.4536 ( 3218 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3245 -39.3233 -34.8533 -34.8529 -34.8520 -34.8507 -21.8164 -21.8138 -14.0983 -14.0942 -14.0871 -14.0866 -6.6042 -6.6014 -6.5999 -6.5997 -5.5781 -5.5759 -5.5717 -5.5698 -5.5677 -5.5660 7.0369 7.0628 9.9493 9.9851 10.1287 10.2571 10.5686 10.7045 10.9183 11.0103 11.2306 11.2983 11.5069 11.6077 12.8219 12.8506 13.7354 13.8423 16.4727 16.5626 16.7253 16.8663 17.2561 17.3234 17.9980 18.1494 k = 0.5000 0.1203 0.4423 ( 3220 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3245 -39.3233 -34.8533 -34.8529 -34.8520 -34.8508 -21.8163 -21.8138 -14.0984 -14.0945 -14.0868 -14.0864 -6.6040 -6.6014 -6.5998 -6.5996 -5.5779 -5.5758 -5.5716 -5.5696 -5.5678 -5.5661 7.0333 7.0602 9.9228 9.9505 10.1147 10.2619 10.5354 10.6710 10.9223 11.0041 11.2334 11.2968 11.4821 11.5821 12.9049 12.9366 13.7533 13.8540 16.4915 16.5820 16.7387 16.8694 17.2645 17.3362 18.0848 18.2292 k = 0.5000 0.1283 0.4309 ( 3222 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3245 -39.3234 -34.8533 -34.8528 -34.8520 -34.8508 -21.8163 -21.8138 -14.0985 -14.0948 -14.0865 -14.0861 -6.6038 -6.6013 -6.5998 -6.5995 -5.5777 -5.5758 -5.5714 -5.5694 -5.5678 -5.5661 7.0296 7.0575 9.8890 9.9143 10.1105 10.2683 10.5042 10.6394 10.9249 10.9979 11.2345 11.2960 11.4566 11.5560 12.9870 13.0216 13.7722 13.8667 16.5101 16.6039 16.7559 16.8737 17.2694 17.3449 18.1768 18.3123 k = 0.5000 0.1363 0.4196 ( 3224 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3245 -39.3234 -34.8533 -34.8528 -34.8520 -34.8509 -21.8163 -21.8139 -14.0986 -14.0951 -14.0863 -14.0859 -6.6036 -6.6013 -6.5997 -6.5994 -5.5775 -5.5757 -5.5712 -5.5692 -5.5679 -5.5662 7.0259 7.0545 9.8522 9.8764 10.1129 10.2756 10.4754 10.6098 10.9260 10.9915 11.2336 11.2958 11.4305 11.5296 13.0681 13.1053 13.7920 13.8801 16.5285 16.6280 16.7767 16.8793 17.2715 17.3501 18.2725 18.3977 k = 0.5000 0.1443 0.4082 ( 3222 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3244 -39.3234 -34.8532 -34.8528 -34.8520 -34.8509 -21.8162 -21.8139 -14.0986 -14.0954 -14.0860 -14.0856 -6.6033 -6.6011 -6.5996 -6.5993 -5.5773 -5.5756 -5.5710 -5.5689 -5.5678 -5.5662 7.0221 7.0514 9.8147 9.8381 10.1191 10.2829 10.4493 10.5822 10.9255 10.9849 11.2309 11.2964 11.4041 11.5035 13.1481 13.1875 13.8124 13.8941 16.5467 16.6538 16.8009 16.8864 17.2714 17.3522 18.3707 18.4839 k = 0.5000 0.1524 0.3969 ( 3232 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3244 -39.3234 -34.8532 -34.8528 -34.8520 -34.8510 -21.8162 -21.8139 -14.0987 -14.0957 -14.0857 -14.0854 -6.6031 -6.6012 -6.5996 -6.5993 -5.5772 -5.5757 -5.5708 -5.5689 -5.5679 -5.5664 7.0183 7.0480 9.7775 9.8004 10.1274 10.2894 10.4260 10.5566 10.9236 10.9780 11.2263 11.2973 11.3775 11.4780 13.2267 13.2678 13.8331 13.9086 16.5649 16.6806 16.8280 16.8953 17.2696 17.3517 18.4694 18.5691 k = 0.5000 0.1604 0.3856 ( 3232 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3244 -39.3235 -34.8532 -34.8527 -34.8520 -34.8510 -21.8161 -21.8140 -14.0988 -14.0959 -14.0854 -14.0851 -6.6029 -6.6011 -6.5995 -6.5992 -5.5770 -5.5756 -5.5706 -5.5687 -5.5678 -5.5664 7.0146 7.0444 9.7413 9.7642 10.1369 10.2944 10.4064 10.5329 10.9204 10.9706 11.2202 11.2986 11.3511 11.4539 13.3038 13.3462 13.8541 13.9232 16.5836 16.7080 16.8573 16.9060 17.2667 17.3491 18.5657 18.6498 k = 0.5000 0.1684 0.3742 ( 3224 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3244 -39.3235 -34.8531 -34.8527 -34.8520 -34.8511 -21.8160 -21.8140 -14.0989 -14.0962 -14.0851 -14.0849 -6.6025 -6.6009 -6.5993 -6.5990 -5.5767 -5.5755 -5.5703 -5.5685 -5.5676 -5.5663 7.0110 7.0407 9.7067 9.7296 10.1471 10.2967 10.3912 10.5113 10.9161 10.9628 11.2128 11.3000 11.3251 11.4315 13.3790 13.4222 13.8750 13.9379 16.6029 16.7354 16.8882 16.9191 17.2632 17.3447 18.6543 18.7199 k = 0.5000 0.1764 0.3629 ( 3224 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3244 -39.3235 -34.8531 -34.8527 -34.8521 -34.8511 -21.8160 -21.8140 -14.0990 -14.0965 -14.0848 -14.0846 -6.6022 -6.6008 -6.5992 -6.5990 -5.5766 -5.5755 -5.5700 -5.5685 -5.5674 -5.5663 7.0075 7.0369 9.6738 9.6970 10.1574 10.2952 10.3813 10.4916 10.9109 10.9542 11.2041 11.2994 11.3014 11.4113 13.4520 13.4957 13.8956 13.9523 16.6232 16.7620 16.9197 16.9349 17.2593 17.3389 18.7242 18.7694 k = 0.5000 0.1844 0.3515 ( 3224 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3244 -39.3235 -34.8530 -34.8527 -34.8521 -34.8512 -21.8159 -21.8141 -14.0990 -14.0967 -14.0846 -14.0844 -6.6020 -6.6006 -6.5992 -6.5989 -5.5764 -5.5755 -5.5699 -5.5685 -5.5672 -5.5663 7.0042 7.0329 9.6431 9.6664 10.1675 10.2899 10.3766 10.4738 10.9049 10.9450 11.1946 11.2744 11.3027 11.3935 13.5226 13.5662 13.9157 13.9664 16.6446 16.7873 16.9483 16.9568 17.2556 17.3320 18.7584 18.7892 k = 0.5000 0.1925 0.3402 ( 3224 PWs) bands (ev): -70.5085 -70.5085 -47.5045 -47.5045 -39.3243 -39.3236 -34.8530 -34.8526 -34.8521 -34.8512 -21.8159 -21.8141 -14.0991 -14.0970 -14.0843 -14.0842 -6.6017 -6.6005 -6.5991 -6.5989 -5.5763 -5.5755 -5.5696 -5.5685 -5.5670 -5.5662 7.0010 7.0289 9.6146 9.6380 10.1773 10.2817 10.3759 10.4580 10.8985 10.9352 11.1844 11.2502 11.3039 11.3781 13.5905 13.6336 13.9352 13.9799 16.6672 16.8107 16.9710 16.9873 17.2523 17.3244 18.7486 18.7751 k = 0.5000 0.2005 0.3289 ( 3224 PWs) bands (ev): -70.5085 -70.5085 -47.5045 -47.5045 -39.3243 -39.3236 -34.8529 -34.8526 -34.8521 -34.8513 -21.8158 -21.8142 -14.0991 -14.0972 -14.0841 -14.0840 -6.6014 -6.6004 -6.5991 -6.5988 -5.5761 -5.5755 -5.5695 -5.5685 -5.5668 -5.5662 6.9981 7.0248 9.5885 9.6116 10.1864 10.2724 10.3773 10.4440 10.8918 10.9249 11.1739 11.2271 11.3049 11.3651 13.6552 13.6974 13.9538 13.9928 16.6909 16.8317 16.9949 17.0191 17.2497 17.3165 18.7058 18.7305 k = 0.5000 0.2085 0.3175 ( 3218 PWs) bands (ev): -70.5085 -70.5085 -47.5045 -47.5045 -39.3243 -39.3236 -34.8529 -34.8526 -34.8521 -34.8514 -21.8157 -21.8142 -14.0992 -14.0975 -14.0838 -14.0837 -6.6011 -6.6002 -6.5989 -6.5987 -5.5759 -5.5754 -5.5692 -5.5684 -5.5665 -5.5661 6.9955 7.0208 9.5649 9.5874 10.1949 10.2631 10.3797 10.4320 10.8849 10.9143 11.1635 11.2053 11.3059 11.3543 13.7163 13.7573 13.9715 14.0049 16.7157 16.8502 17.0211 17.0504 17.2478 17.3085 18.6430 18.6660 k = 0.5000 0.2165 0.3062 ( 3216 PWs) bands (ev): -70.5085 -70.5085 -47.5045 -47.5045 -39.3243 -39.3236 -34.8528 -34.8525 -34.8521 -34.8514 -21.8156 -21.8143 -14.0992 -14.0977 -14.0836 -14.0836 -6.6009 -6.6001 -6.5989 -6.5987 -5.5758 -5.5753 -5.5691 -5.5684 -5.5663 -5.5660 6.9931 7.0167 9.5438 9.5654 10.2023 10.2544 10.3822 10.4218 10.8781 10.9037 11.1533 11.1853 11.3067 11.3454 13.7734 13.8128 13.9882 14.0161 16.7411 16.8661 17.0494 17.0808 17.2469 17.3008 18.5692 18.5912 k = 0.5000 0.2245 0.2948 ( 3224 PWs) bands (ev): -70.5085 -70.5085 -47.5045 -47.5045 -39.3242 -39.3237 -34.8528 -34.8525 -34.8521 -34.8515 -21.8156 -21.8144 -14.0993 -14.0979 -14.0834 -14.0834 -6.6008 -6.6001 -6.5989 -6.5988 -5.5758 -5.5754 -5.5691 -5.5686 -5.5662 -5.5660 6.9911 7.0128 9.5253 9.5455 10.2087 10.2468 10.3842 10.4133 10.8714 10.8933 11.1435 11.1670 11.3073 11.3381 13.8260 13.8636 14.0037 14.0263 16.7669 16.8796 17.0793 17.1101 17.2470 17.2937 18.4906 18.5123 k = 0.5000 0.2325 0.2835 ( 3224 PWs) bands (ev): -70.5085 -70.5085 -47.5045 -47.5045 -39.3242 -39.3237 -34.8527 -34.8525 -34.8521 -34.8516 -21.8155 -21.8144 -14.0993 -14.0981 -14.0833 -14.0832 -6.6005 -6.5999 -6.5989 -6.5988 -5.5757 -5.5754 -5.5690 -5.5686 -5.5660 -5.5659 6.9895 7.0090 9.5092 9.5278 10.2140 10.2404 10.3857 10.4065 10.8651 10.8834 11.1344 11.1508 11.3079 11.3321 13.8737 13.9091 14.0182 14.0356 16.7923 16.8908 17.1101 17.1382 17.2480 17.2874 18.4116 18.4331 k = 0.5000 0.2406 0.2722 ( 3220 PWs) bands (ev): -70.5085 -70.5085 -47.5045 -47.5045 -39.3242 -39.3237 -34.8526 -34.8525 -34.8521 -34.8517 -21.8154 -21.8145 -14.0993 -14.0983 -14.0831 -14.0831 -6.6003 -6.5998 -6.5988 -6.5987 -5.5756 -5.5753 -5.5689 -5.5686 -5.5658 -5.5657 6.9882 7.0054 9.4957 9.5122 10.2181 10.2353 10.3866 10.4013 10.8593 10.8744 11.1262 11.1369 11.3084 11.3273 13.9158 13.9489 14.0316 14.0439 16.8167 16.8998 17.1411 17.1650 17.2497 17.2822 18.3354 18.3566 k = 0.5000 0.2486 0.2608 ( 3226 PWs) bands (ev): -70.5085 -70.5085 -47.5045 -47.5045 -39.3241 -39.3238 -34.8526 -34.8525 -34.8522 -34.8517 -21.8153 -21.8146 -14.0993 -14.0984 -14.0830 -14.0830 -6.6002 -6.5998 -6.5989 -6.5988 -5.5756 -5.5754 -5.5689 -5.5687 -5.5658 -5.5657 6.9873 7.0020 9.4845 9.4988 10.2211 10.2313 10.3869 10.3975 10.8542 10.8662 11.1188 11.1252 11.3089 11.3234 13.9519 13.9823 14.0440 14.0515 16.8394 16.9068 17.1711 17.1902 17.2521 17.2781 18.2646 18.2851 k = 0.5000 0.2566 0.2495 ( 3222 PWs) bands (ev): -70.5085 -70.5085 -47.5045 -47.5045 -39.3241 -39.3238 -34.8525 -34.8524 -34.8522 -34.8518 -21.8153 -21.8146 -14.0993 -14.0986 -14.0829 -14.0829 -6.6000 -6.5996 -6.5989 -6.5988 -5.5755 -5.5754 -5.5689 -5.5687 -5.5656 -5.5656 6.9869 6.9988 9.4758 9.4876 10.2232 10.2285 10.3869 10.3947 10.8500 10.8592 11.1125 11.1158 11.3095 11.3202 13.9814 14.0084 14.0555 14.0589 16.8597 16.9117 17.1991 17.2133 17.2549 17.2752 18.2019 18.2208 k = 0.5000 0.2646 0.2381 ( 3224 PWs) bands (ev): -70.5085 -70.5085 -47.5045 -47.5045 -39.3241 -39.3239 -34.8524 -34.8524 -34.8522 -34.8519 -21.8152 -21.8147 -14.0992 -14.0987 -14.0828 -14.0828 -6.5999 -6.5996 -6.5989 -6.5989 -5.5755 -5.5754 -5.5689 -5.5687 -5.5656 -5.5655 6.9869 6.9960 9.4695 9.4784 10.2244 10.2266 10.3868 10.3926 10.8468 10.8535 11.1073 11.1087 11.3101 11.3177 14.0041 14.0261 14.0658 14.0667 16.8770 16.9146 17.2235 17.2330 17.2582 17.2734 18.1500 18.1660 k = 0.5000 0.2726 0.2268 ( 3216 PWs) bands (ev): -70.5085 -70.5085 -47.5045 -47.5045 -39.3240 -39.3239 -34.8524 -34.8524 -34.8521 -34.8519 -21.8151 -21.8148 -14.0992 -14.0988 -14.0827 -14.0827 -6.5997 -6.5995 -6.5988 -6.5988 -5.5754 -5.5753 -5.5687 -5.5686 -5.5654 -5.5654 6.9874 6.9935 9.4654 9.4715 10.2249 10.2256 10.3870 10.3910 10.8447 10.8491 11.1035 11.1039 11.3108 11.3157 14.0205 14.0357 14.0746 14.0746 16.8910 16.9152 17.2426 17.2472 17.2624 17.2727 18.1114 18.1231 k = 0.5000 0.2807 0.2155 ( 3214 PWs) bands (ev): -70.5085 -70.5085 -47.5045 -47.5045 -39.3240 -39.3239 -34.8524 -34.8524 -34.8521 -34.8520 -21.8150 -21.8149 -14.0991 -14.0989 -14.0827 -14.0827 -6.5996 -6.5995 -6.5988 -6.5988 -5.5753 -5.5753 -5.5687 -5.5686 -5.5653 -5.5653 6.9883 6.9913 9.4636 9.4667 10.2251 10.2252 10.3876 10.3896 10.8438 10.8460 11.1010 11.1011 11.3117 11.3140 14.0312 14.0388 14.0805 14.0805 16.9016 16.9135 17.2537 17.2544 17.2678 17.2732 18.0884 18.0947 k = 0.5000 0.2887 0.2041 ( 3214 PWs) bands (ev): -70.5085 -70.5085 -47.5045 -47.5045 -39.3240 -39.3240 -34.8524 -34.8524 -34.8521 -34.8521 -21.8149 -21.8149 -14.0990 -14.0990 -14.0827 -14.0827 -6.5995 -6.5995 -6.5988 -6.5988 -5.5753 -5.5753 -5.5687 -5.5687 -5.5653 -5.5653 6.9896 6.9896 9.4640 9.4640 10.2251 10.2251 10.3884 10.3884 10.8442 10.8442 11.1002 11.1002 11.3127 11.3127 14.0371 14.0371 14.0827 14.0827 16.9090 16.9090 17.2566 17.2566 17.2722 17.2722 18.0828 18.0828 k = 0.5000 0.2887 0.2041 ( 3214 PWs) bands (ev): -70.5085 -70.5085 -47.5045 -47.5045 -39.3240 -39.3240 -34.8524 -34.8524 -34.8521 -34.8521 -21.8149 -21.8149 -14.0990 -14.0990 -14.0827 -14.0827 -6.5995 -6.5995 -6.5988 -6.5988 -5.5753 -5.5753 -5.5687 -5.5687 -5.5653 -5.5653 6.9896 6.9896 9.4640 9.4640 10.2251 10.2251 10.3884 10.3884 10.8442 10.8442 11.1002 11.1002 11.3127 11.3127 14.0371 14.0371 14.0827 14.0827 16.9090 16.9090 17.2566 17.2566 17.2722 17.2722 18.0828 18.0828 k = 0.4960 0.2863 0.2173 ( 3214 PWs) bands (ev): -70.5085 -70.5085 -47.5045 -47.5045 -39.3240 -39.3239 -34.8524 -34.8524 -34.8521 -34.8520 -21.8150 -21.8149 -14.0991 -14.0989 -14.0827 -14.0827 -6.5996 -6.5995 -6.5988 -6.5988 -5.5753 -5.5753 -5.5687 -5.5686 -5.5653 -5.5653 6.9883 6.9913 9.4636 9.4667 10.2251 10.2252 10.3876 10.3896 10.8438 10.8460 11.1011 11.1011 11.3117 11.3140 14.0311 14.0388 14.0805 14.0805 16.9016 16.9135 17.2540 17.2541 17.2678 17.2731 18.0885 18.0948 k = 0.4919 0.2840 0.2305 ( 3216 PWs) bands (ev): -70.5085 -70.5085 -47.5045 -47.5045 -39.3240 -39.3239 -34.8524 -34.8524 -34.8521 -34.8519 -21.8151 -21.8148 -14.0992 -14.0988 -14.0827 -14.0827 -6.5997 -6.5995 -6.5988 -6.5988 -5.5754 -5.5753 -5.5687 -5.5686 -5.5654 -5.5654 6.9874 6.9935 9.4654 9.4715 10.2252 10.2253 10.3870 10.3910 10.8447 10.8491 11.1037 11.1037 11.3108 11.3157 14.0203 14.0356 14.0744 14.0745 16.8909 16.9152 17.2444 17.2446 17.2631 17.2724 18.1117 18.1235 k = 0.4879 0.2817 0.2436 ( 3219 PWs) bands (ev): -70.5085 -70.5085 -47.5045 -47.5045 -39.3241 -39.3239 -34.8524 -34.8524 -34.8522 -34.8519 -21.8152 -21.8147 -14.0992 -14.0987 -14.0828 -14.0828 -6.5998 -6.5996 -6.5988 -6.5988 -5.5754 -5.5753 -5.5688 -5.5687 -5.5655 -5.5655 6.9869 6.9960 9.4695 9.4786 10.2253 10.2257 10.3869 10.3926 10.8469 10.8536 11.1081 11.1082 11.3101 11.3177 14.0038 14.0259 14.0659 14.0664 16.8767 16.9146 17.2269 17.2283 17.2602 17.2721 18.1508 18.1668 k = 0.4839 0.2794 0.2568 ( 3225 PWs) bands (ev): -70.5085 -70.5085 -47.5045 -47.5045 -39.3241 -39.3238 -34.8525 -34.8524 -34.8522 -34.8518 -21.8153 -21.8146 -14.0993 -14.0986 -14.0829 -14.0829 -6.6000 -6.5997 -6.5989 -6.5988 -5.5755 -5.5754 -5.5689 -5.5687 -5.5657 -5.5656 6.9869 6.9989 9.4760 9.4878 10.2254 10.2263 10.3874 10.3943 10.8501 10.8594 11.1142 11.1145 11.3095 11.3203 13.9808 14.0077 14.0557 14.0584 16.8590 16.9116 17.2031 17.2081 17.2580 17.2724 18.2032 18.2222 k = 0.4798 0.2770 0.2700 ( 3223 PWs) bands (ev): -70.5085 -70.5085 -47.5045 -47.5045 -39.3241 -39.3238 -34.8526 -34.8525 -34.8522 -34.8517 -21.8153 -21.8146 -14.0993 -14.0984 -14.0830 -14.0830 -6.6002 -6.5997 -6.5988 -6.5988 -5.5756 -5.5754 -5.5689 -5.5687 -5.5658 -5.5657 6.9874 7.0020 9.4848 9.4992 10.2253 10.2271 10.3884 10.3961 10.8544 10.8664 11.1219 11.1226 11.3089 11.3235 13.9510 13.9810 14.0445 14.0508 16.8379 16.9065 17.1754 17.1864 17.2561 17.2731 18.2665 18.2871 k = 0.4758 0.2747 0.2831 ( 3226 PWs) bands (ev): -70.5085 -70.5085 -47.5045 -47.5045 -39.3242 -39.3238 -34.8526 -34.8525 -34.8521 -34.8517 -21.8154 -21.8145 -14.0993 -14.0983 -14.0831 -14.0831 -6.6004 -6.5999 -6.5989 -6.5988 -5.5756 -5.5754 -5.5690 -5.5687 -5.5659 -5.5658 6.9882 7.0055 9.4961 9.5127 10.2251 10.2281 10.3900 10.3980 10.8596 10.8746 11.1313 11.1325 11.3084 11.3274 13.9145 13.9467 14.0327 14.0431 16.8136 16.8990 17.1459 17.1645 17.2545 17.2740 18.3379 18.3594 k = 0.4718 0.2724 0.2963 ( 3226 PWs) bands (ev): -70.5085 -70.5085 -47.5045 -47.5045 -39.3242 -39.3237 -34.8527 -34.8525 -34.8521 -34.8516 -21.8155 -21.8144 -14.0993 -14.0981 -14.0833 -14.0832 -6.6006 -6.6000 -6.5989 -6.5988 -5.5757 -5.5754 -5.5690 -5.5686 -5.5661 -5.5659 6.9895 7.0091 9.5098 9.5284 10.2246 10.2294 10.3924 10.3999 10.8655 10.8839 11.1421 11.1443 11.3079 11.3323 13.8720 13.9058 14.0201 14.0346 16.7864 16.8885 17.1165 17.1431 17.2533 17.2752 18.4149 18.4367 k = 0.4677 0.2701 0.3095 ( 3229 PWs) bands (ev): -70.5085 -70.5085 -47.5045 -47.5045 -39.3242 -39.3237 -34.8528 -34.8525 -34.8521 -34.8515 -21.8156 -21.8144 -14.0993 -14.0979 -14.0835 -14.0834 -6.6008 -6.6001 -6.5989 -6.5989 -5.5758 -5.5754 -5.5691 -5.5686 -5.5663 -5.5660 6.9912 7.0130 9.5260 9.5463 10.2239 10.2309 10.3955 10.4018 10.8719 10.8941 11.1542 11.1578 11.3073 11.3383 13.8238 13.8589 14.0067 14.0253 16.7568 16.8742 17.0891 17.1228 17.2524 17.2767 18.4947 18.5167 k = 0.4637 0.2677 0.3226 ( 3229 PWs) bands (ev): -70.5085 -70.5085 -47.5045 -47.5045 -39.3243 -39.3237 -34.8528 -34.8525 -34.8521 -34.8514 -21.8156 -21.8143 -14.0992 -14.0977 -14.0837 -14.0836 -6.6010 -6.6002 -6.5989 -6.5989 -5.5759 -5.5755 -5.5693 -5.5686 -5.5665 -5.5661 6.9932 7.0169 9.5448 9.5664 10.2230 10.2326 10.3994 10.4037 10.8786 10.9051 11.1675 11.1731 11.3068 11.3457 13.7708 13.8065 13.9925 14.0150 16.7249 16.8550 17.0657 17.1036 17.2520 17.2787 18.5739 18.5964 k = 0.4597 0.2654 0.3358 ( 3227 PWs) bands (ev): -70.5085 -70.5085 -47.5045 -47.5045 -39.3243 -39.3236 -34.8529 -34.8526 -34.8521 -34.8514 -21.8157 -21.8142 -14.0992 -14.0974 -14.0839 -14.0837 -6.6012 -6.6003 -6.5989 -6.5989 -5.5760 -5.5754 -5.5694 -5.5685 -5.5667 -5.5661 6.9956 7.0210 9.5660 9.5887 10.2219 10.2346 10.4042 10.4057 10.8855 10.9167 11.1816 11.1901 11.3062 11.3546 13.7133 13.7492 13.9776 14.0039 16.6911 16.8299 17.0477 17.0858 17.2522 17.2812 18.6477 18.6717 k = 0.4556 0.2631 0.3490 ( 3219 PWs) bands (ev): -70.5085 -70.5085 -47.5045 -47.5045 -39.3243 -39.3236 -34.8529 -34.8526 -34.8521 -34.8513 -21.8158 -21.8142 -14.0991 -14.0972 -14.0841 -14.0839 -6.6014 -6.6004 -6.5989 -6.5989 -5.5760 -5.5753 -5.5695 -5.5684 -5.5669 -5.5661 6.9982 7.0251 9.5898 9.6131 10.2207 10.2369 10.4078 10.4099 10.8924 10.9287 11.1962 11.2086 11.3057 11.3655 13.6519 13.6875 13.9621 13.9920 16.6555 16.7987 17.0355 17.0694 17.2530 17.2843 18.7079 18.7356 k = 0.4516 0.2607 0.3622 ( 3223 PWs) bands (ev): -70.5085 -70.5085 -47.5045 -47.5045 -39.3243 -39.3236 -34.8530 -34.8526 -34.8521 -34.8512 -21.8159 -21.8141 -14.0991 -14.0970 -14.0844 -14.0841 -6.6016 -6.6006 -6.5990 -6.5990 -5.5762 -5.5754 -5.5697 -5.5684 -5.5672 -5.5661 7.0012 7.0292 9.6161 9.6396 10.2194 10.2393 10.4099 10.4163 10.8990 10.9410 11.2109 11.2280 11.3056 11.3785 13.5872 13.6219 13.9460 13.9794 16.6181 16.7621 17.0290 17.0547 17.2544 17.2881 18.7417 18.7774 k = 0.4476 0.2584 0.3753 ( 3225 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3244 -39.3235 -34.8531 -34.8526 -34.8521 -34.8512 -21.8159 -21.8141 -14.0990 -14.0967 -14.0847 -14.0843 -6.6019 -6.6008 -6.5990 -6.5990 -5.5764 -5.5754 -5.5700 -5.5685 -5.5675 -5.5661 7.0043 7.0332 9.6447 9.6682 10.2181 10.2419 10.4122 10.4236 10.9052 10.9535 11.2254 11.2477 11.3066 11.3938 13.5198 13.5530 13.9295 13.9663 16.5789 16.7211 17.0272 17.0419 17.2565 17.2926 18.7369 18.7857 k = 0.4435 0.2561 0.3885 ( 3221 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3244 -39.3235 -34.8531 -34.8527 -34.8520 -34.8511 -21.8160 -21.8140 -14.0990 -14.0965 -14.0849 -14.0845 -6.6021 -6.6009 -6.5991 -6.5990 -5.5764 -5.5754 -5.5702 -5.5685 -5.5677 -5.5660 7.0076 7.0371 9.6755 9.6987 10.2171 10.2448 10.4148 10.4316 10.9109 10.9659 11.2394 11.2651 11.3110 11.4115 13.4501 13.4813 13.9127 13.9528 16.5380 16.6765 17.0296 17.0309 17.2593 17.2979 18.6951 18.7591 k = 0.4395 0.2538 0.4017 ( 3217 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3244 -39.3235 -34.8531 -34.8527 -34.8520 -34.8511 -21.8160 -21.8140 -14.0989 -14.0962 -14.0852 -14.0847 -6.6023 -6.6010 -6.5991 -6.5991 -5.5765 -5.5754 -5.5704 -5.5686 -5.5677 -5.5660 7.0111 7.0409 9.7084 9.7312 10.2167 10.2480 10.4176 10.4403 10.9159 10.9782 11.2528 11.2759 11.3228 11.4316 13.3789 13.4073 13.8959 13.9390 16.4956 16.6292 17.0221 17.0353 17.2628 17.3041 18.6296 18.7086 k = 0.4355 0.2514 0.4148 ( 3216 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3244 -39.3234 -34.8532 -34.8527 -34.8520 -34.8510 -21.8161 -21.8140 -14.0988 -14.0959 -14.0856 -14.0849 -6.6025 -6.6011 -6.5992 -6.5992 -5.5767 -5.5754 -5.5707 -5.5689 -5.5677 -5.5659 7.0146 7.0446 9.7430 9.7653 10.2171 10.2515 10.4208 10.4497 10.9200 10.9902 11.2653 11.2793 11.3426 11.4538 13.3066 13.3317 13.8791 13.9252 16.4516 16.5799 17.0155 17.0440 17.2670 17.3112 18.5527 18.6460 k = 0.4315 0.2491 0.4280 ( 3218 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3244 -39.3234 -34.8532 -34.8527 -34.8520 -34.8510 -21.8161 -21.8139 -14.0988 -14.0956 -14.0859 -14.0851 -6.6028 -6.6013 -6.5993 -6.5993 -5.5769 -5.5754 -5.5710 -5.5692 -5.5677 -5.5658 7.0182 7.0480 9.7787 9.8009 10.2187 10.2554 10.4244 10.4598 10.9233 11.0016 11.2771 11.2787 11.3667 11.4776 13.2340 13.2551 13.8625 13.9114 16.4062 16.5292 17.0110 17.0553 17.2720 17.3193 18.4712 18.5787 k = 0.4274 0.2468 0.4412 ( 3214 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3244 -39.3234 -34.8533 -34.8528 -34.8520 -34.8509 -21.8162 -21.8139 -14.0987 -14.0953 -14.0862 -14.0853 -6.6029 -6.6014 -6.5994 -6.5993 -5.5770 -5.5754 -5.5713 -5.5695 -5.5676 -5.5657 7.0217 7.0513 9.8151 9.8376 10.2223 10.2600 10.4285 10.4705 10.9256 11.0124 11.2761 11.2882 11.3926 11.5025 13.1618 13.1783 13.8463 13.8979 16.3598 16.4774 17.0088 17.0689 17.2777 17.3283 18.3890 18.5107 k = 0.4234 0.2444 0.4543 ( 3218 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3245 -39.3234 -34.8533 -34.8528 -34.8520 -34.8509 -21.8162 -21.8139 -14.0987 -14.0951 -14.0865 -14.0855 -6.6032 -6.6016 -6.5995 -6.5995 -5.5772 -5.5754 -5.5717 -5.5699 -5.5676 -5.5656 7.0252 7.0542 9.8512 9.8750 10.2285 10.2654 10.4331 10.4816 10.9270 11.0223 11.2723 11.2985 11.4190 11.5276 13.0909 13.1021 13.8307 13.8847 16.3126 16.4251 17.0088 17.0847 17.2842 17.3384 18.3081 18.4442 k = 0.4194 0.2421 0.4675 ( 3220 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3245 -39.3234 -34.8533 -34.8528 -34.8520 -34.8508 -21.8163 -21.8139 -14.0986 -14.0948 -14.0868 -14.0856 -6.6034 -6.6018 -6.5997 -6.5996 -5.5774 -5.5755 -5.5720 -5.5703 -5.5675 -5.5655 7.0285 7.0569 9.8859 9.9126 10.2383 10.2720 10.4383 10.4933 10.9274 11.0313 11.2676 11.3081 11.4452 11.5524 13.0223 13.0275 13.8159 13.8721 16.2649 16.3726 17.0108 17.1024 17.2913 17.3494 18.2298 18.3802 k = 0.4153 0.2398 0.4807 ( 3219 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3245 -39.3233 -34.8534 -34.8528 -34.8520 -34.8508 -21.8163 -21.8138 -14.0986 -14.0946 -14.0872 -14.0858 -6.6036 -6.6019 -6.5998 -6.5997 -5.5776 -5.5755 -5.5723 -5.5707 -5.5674 -5.5654 7.0317 7.0593 9.9179 9.9494 10.2531 10.2804 10.4441 10.5054 10.9270 11.0390 11.2623 11.3171 11.4705 11.5758 12.9554 12.9571 13.8019 13.8601 16.2171 16.3203 17.0148 17.1220 17.2991 17.3613 18.1548 18.3195 k = 0.4113 0.2375 0.4938 ( 3220 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3245 -39.3233 -34.8534 -34.8528 -34.8520 -34.8508 -21.8163 -21.8138 -14.0985 -14.0943 -14.0875 -14.0859 -6.6038 -6.6020 -6.5999 -6.5998 -5.5778 -5.5755 -5.5726 -5.5711 -5.5673 -5.5653 7.0347 7.0613 9.9457 9.9845 10.2738 10.2913 10.4505 10.5179 10.9258 11.0453 11.2564 11.3254 11.4940 11.5969 12.8872 12.8965 13.7890 13.8490 16.1696 16.2686 17.0206 17.1432 17.3074 17.3740 18.0837 18.2623 k = 0.4073 0.2351 0.5070 ( 3224 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3245 -39.3233 -34.8534 -34.8529 -34.8520 -34.8508 -21.8164 -21.8138 -14.0985 -14.0941 -14.0877 -14.0860 -6.6040 -6.6022 -6.6001 -6.6000 -5.5780 -5.5756 -5.5730 -5.5715 -5.5672 -5.5652 7.0374 7.0629 9.9684 10.0166 10.3013 10.3054 10.4575 10.5307 10.9240 11.0499 11.2500 11.3328 11.5150 11.6145 12.8240 12.8419 13.7774 13.8388 16.1226 16.2178 17.0281 17.1661 17.3163 17.3872 18.0171 18.2084 k = 0.4032 0.2328 0.5202 ( 3221 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3245 -39.3233 -34.8534 -34.8529 -34.8520 -34.8507 -21.8164 -21.8138 -14.0985 -14.0939 -14.0880 -14.0861 -6.6041 -6.6024 -6.6002 -6.6000 -5.5781 -5.5755 -5.5733 -5.5719 -5.5671 -5.5651 7.0397 7.0641 9.9855 10.0445 10.3236 10.3355 10.4652 10.5438 10.9219 11.0525 11.2433 11.3395 11.5327 11.6277 12.7674 12.7948 13.7671 13.8296 16.0766 16.1683 17.0371 17.1904 17.3254 17.4005 17.9554 18.1575 k = 0.3992 0.2305 0.5334 ( 3223 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3245 -39.3233 -34.8534 -34.8529 -34.8520 -34.8507 -21.8164 -21.8138 -14.0985 -14.0937 -14.0882 -14.0861 -6.6043 -6.6025 -6.6004 -6.6002 -5.5783 -5.5756 -5.5736 -5.5723 -5.5670 -5.5650 7.0416 7.0649 9.9974 10.0671 10.3461 10.3755 10.4733 10.5572 10.9198 11.0529 11.2364 11.3452 11.5463 11.6354 12.7187 12.7565 13.7583 13.8216 16.0319 16.1203 17.0473 17.2160 17.3345 17.4132 17.8991 18.1086 k = 0.3952 0.2281 0.5465 ( 3223 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3245 -39.3233 -34.8534 -34.8529 -34.8520 -34.8507 -21.8164 -21.8138 -14.0985 -14.0936 -14.0884 -14.0862 -6.6044 -6.6027 -6.6006 -6.6002 -5.5784 -5.5756 -5.5739 -5.5727 -5.5669 -5.5649 7.0429 7.0652 10.0047 10.0839 10.3724 10.4197 10.4822 10.5708 10.9181 11.0510 11.2295 11.3500 11.5553 11.6369 12.6795 12.7283 13.7510 13.8147 15.9887 16.0741 17.0585 17.2430 17.3433 17.4245 17.8493 18.0598 k = 0.3911 0.2258 0.5597 ( 3219 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3245 -39.3233 -34.8534 -34.8529 -34.8520 -34.8507 -21.8164 -21.8138 -14.0985 -14.0935 -14.0885 -14.0862 -6.6044 -6.6028 -6.6007 -6.6002 -5.5785 -5.5756 -5.5741 -5.5730 -5.5667 -5.5648 7.0438 7.0648 10.0085 10.0952 10.4011 10.4662 10.4918 10.5847 10.9175 11.0470 11.2228 11.3538 11.5595 11.6321 12.6507 12.7110 13.7453 13.8092 15.9473 16.0299 17.0706 17.2711 17.3514 17.4327 17.8069 18.0086 k = 0.3871 0.2235 0.5729 ( 3219 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3245 -39.3233 -34.8534 -34.8529 -34.8520 -34.8507 -21.8164 -21.8138 -14.0985 -14.0934 -14.0885 -14.0862 -6.6045 -6.6029 -6.6009 -6.6003 -5.5785 -5.5756 -5.5744 -5.5733 -5.5666 -5.5647 7.0439 7.0639 10.0091 10.1012 10.4300 10.5027 10.5122 10.5993 10.9187 11.0414 11.2164 11.3567 11.5591 11.6213 12.6329 12.7047 13.7414 13.8049 15.9080 15.9881 17.0832 17.3002 17.3578 17.4358 17.7732 17.9535 k = 0.3831 0.2212 0.5860 ( 3218 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3245 -39.3233 -34.8534 -34.8529 -34.8520 -34.8507 -21.8164 -21.8138 -14.0985 -14.0935 -14.0885 -14.0861 -6.6045 -6.6031 -6.6011 -6.6004 -5.5786 -5.5757 -5.5747 -5.5736 -5.5665 -5.5646 7.0433 7.0622 10.0073 10.1025 10.4561 10.5156 10.5543 10.6155 10.9226 11.0357 11.2103 11.3587 11.5549 11.6058 12.6262 12.7090 13.7391 13.8020 15.8709 15.9487 17.0962 17.3301 17.3614 17.4317 17.7482 17.8852 k = 0.3790 0.2188 0.5992 ( 3218 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3245 -39.3233 -34.8534 -34.8529 -34.8520 -34.8507 -21.8164 -21.8139 -14.0986 -14.0935 -14.0885 -14.0861 -6.6046 -6.6032 -6.6012 -6.6004 -5.5787 -5.5757 -5.5749 -5.5739 -5.5664 -5.5646 7.0418 7.0598 10.0031 10.0995 10.4766 10.5313 10.5868 10.6357 10.9300 11.0321 11.2044 11.3601 11.5483 11.5870 12.6302 12.7230 13.7386 13.8004 15.8362 15.9118 17.1090 17.3599 17.3608 17.4197 17.7258 17.8220 k = 0.3750 0.2165 0.6124 ( 3212 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3244 -39.3233 -34.8534 -34.8529 -34.8520 -34.8507 -21.8164 -21.8139 -14.0986 -14.0936 -14.0884 -14.0860 -6.6045 -6.6033 -6.6014 -6.6004 -5.5787 -5.5758 -5.5751 -5.5740 -5.5663 -5.5645 7.0394 7.0565 9.9967 10.0925 10.4908 10.5487 10.6066 10.6590 10.9413 11.0338 11.1987 11.3612 11.5410 11.5670 12.6440 12.7457 13.7398 13.8001 15.8040 15.8777 17.1216 17.3539 17.3800 17.4092 17.6871 17.7922 k = 0.6250-0.0722 0.4082 ( 3212 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3244 -39.3233 -34.8534 -34.8529 -34.8520 -34.8507 -21.8164 -21.8139 -14.0986 -14.0936 -14.0884 -14.0860 -6.6045 -6.6033 -6.6014 -6.6004 -5.5787 -5.5758 -5.5751 -5.5740 -5.5663 -5.5645 7.0394 7.0565 9.9967 10.0925 10.4908 10.5487 10.6066 10.6590 10.9413 11.0338 11.1987 11.3612 11.5410 11.5670 12.6440 12.7457 13.7398 13.8001 15.8040 15.8777 17.1216 17.3539 17.3800 17.4092 17.6871 17.7922 k = 0.6181-0.0842 0.4082 ( 3218 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3244 -39.3233 -34.8534 -34.8530 -34.8520 -34.8507 -21.8163 -21.8139 -14.0986 -14.0939 -14.0881 -14.0859 -6.6046 -6.6036 -6.6017 -6.6005 -5.5788 -5.5761 -5.5756 -5.5744 -5.5662 -5.5645 7.0338 7.0495 9.9843 10.0771 10.5099 10.5753 10.6285 10.6961 10.9668 11.0431 11.1902 11.3626 11.5300 11.5335 12.6796 12.7943 13.7444 13.8017 15.7522 15.8226 17.1423 17.3264 17.3705 17.4175 17.6060 17.7269 k = 0.6111-0.0962 0.4082 ( 3222 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3244 -39.3234 -34.8534 -34.8530 -34.8520 -34.8507 -21.8163 -21.8139 -14.0987 -14.0941 -14.0878 -14.0857 -6.6047 -6.6039 -6.6021 -6.6007 -5.5788 -5.5764 -5.5761 -5.5747 -5.5661 -5.5645 7.0274 7.0417 9.9730 10.0625 10.5277 10.5953 10.6465 10.7275 10.9964 11.0501 11.1864 11.3631 11.5024 11.5215 12.7238 12.8493 13.7513 13.8054 15.7032 15.7700 17.1619 17.2799 17.3317 17.4225 17.5530 17.6811 k = 0.6042-0.1083 0.4082 ( 3222 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3244 -39.3234 -34.8534 -34.8530 -34.8519 -34.8507 -21.8162 -21.8140 -14.0987 -14.0944 -14.0875 -14.0855 -6.6047 -6.6042 -6.6024 -6.6007 -5.5789 -5.5767 -5.5765 -5.5750 -5.5659 -5.5644 7.0204 7.0334 9.9630 10.0487 10.5441 10.6102 10.6614 10.7527 11.0277 11.0508 11.1906 11.3620 11.4751 11.5150 12.7766 12.9101 13.7603 13.8112 15.6569 15.7199 17.1756 17.2212 17.2608 17.4253 17.5325 17.6544 k = 0.5972-0.1203 0.4082 ( 3230 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3244 -39.3234 -34.8533 -34.8530 -34.8519 -34.8508 -21.8162 -21.8140 -14.0987 -14.0947 -14.0872 -14.0854 -6.6048 -6.6045 -6.6027 -6.6009 -5.5790 -5.5771 -5.5770 -5.5753 -5.5659 -5.5645 7.0130 7.0247 9.9540 10.0358 10.5587 10.6220 10.6733 10.7729 11.0435 11.0579 11.2030 11.3584 11.4530 11.5103 12.8374 12.9763 13.7717 13.8192 15.6130 15.6721 17.1311 17.1740 17.2084 17.4262 17.5279 17.6409 k = 0.5903-0.1323 0.4082 ( 3232 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3244 -39.3234 -34.8533 -34.8530 -34.8519 -34.8508 -21.8161 -21.8141 -14.0988 -14.0950 -14.0869 -14.0852 -6.6049 -6.6048 -6.6029 -6.6010 -5.5790 -5.5775 -5.5775 -5.5755 -5.5658 -5.5645 7.0054 7.0160 9.9464 10.0238 10.5712 10.6321 10.6823 10.7895 11.0296 11.0842 11.2211 11.3525 11.4377 11.5072 12.9057 13.0472 13.7853 13.8292 15.5716 15.6264 17.0522 17.0831 17.2231 17.4242 17.5276 17.6351 k = 0.5833-0.1443 0.4082 ( 3240 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5045 -39.3243 -39.3235 -34.8533 -34.8530 -34.8519 -34.8509 -21.8160 -21.8141 -14.0988 -14.0952 -14.0865 -14.0850 -6.6051 -6.6051 -6.6032 -6.6013 -5.5791 -5.5779 -5.5779 -5.5758 -5.5658 -5.5646 6.9978 7.0072 9.9397 10.0125 10.5816 10.6418 10.6885 10.8037 11.0117 11.1040 11.2415 11.3461 11.4290 11.5053 12.9804 13.1218 13.8014 13.8412 15.5322 15.5825 16.9702 16.9933 17.2377 17.4177 17.5269 17.6326 k = 0.5764-0.1564 0.4082 ( 3234 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5046 -39.3243 -39.3235 -34.8533 -34.8530 -34.8519 -34.8509 -21.8160 -21.8142 -14.0988 -14.0955 -14.0862 -14.0848 -6.6053 -6.6051 -6.6034 -6.6013 -5.5791 -5.5782 -5.5780 -5.5760 -5.5656 -5.5645 6.9903 6.9987 9.9343 10.0022 10.5904 10.6514 10.6925 10.8160 10.9918 11.1150 11.2622 11.3425 11.4251 11.5042 13.0603 13.1987 13.8201 13.8555 15.4947 15.5404 16.8892 16.9066 17.2496 17.4046 17.5249 17.6301 k = 0.5694-0.1684 0.4082 ( 3242 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5046 -39.3243 -39.3235 -34.8532 -34.8530 -34.8519 -34.8509 -21.8159 -21.8142 -14.0988 -14.0958 -14.0859 -14.0846 -6.6056 -6.6053 -6.6035 -6.6015 -5.5793 -5.5786 -5.5784 -5.5763 -5.5656 -5.5646 6.9831 6.9905 9.9299 9.9926 10.5980 10.6607 10.6947 10.8261 10.9714 11.1163 11.2818 11.3442 11.4243 11.5037 13.1434 13.2763 13.8416 13.8720 15.4590 15.4998 16.8112 16.8245 17.2577 17.3829 17.5221 17.6241 k = 0.5625-0.1804 0.4082 ( 3238 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5046 -39.3242 -39.3235 -34.8532 -34.8530 -34.8519 -34.8510 -21.8158 -21.8143 -14.0988 -14.0961 -14.0856 -14.0845 -6.6057 -6.6054 -6.6036 -6.6016 -5.5794 -5.5789 -5.5785 -5.5764 -5.5654 -5.5646 6.9762 6.9828 9.9265 9.9837 10.6053 10.6697 10.6957 10.8336 10.9522 11.1091 11.2998 11.3508 11.4254 11.5035 13.2279 13.3525 13.8662 13.8909 15.4249 15.4606 16.7375 16.7476 17.2603 17.3518 17.5198 17.6111 k = 0.5556-0.1925 0.4082 ( 3238 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5046 -39.3242 -39.3236 -34.8532 -34.8530 -34.8518 -34.8510 -21.8157 -21.8144 -14.0987 -14.0963 -14.0853 -14.0843 -6.6059 -6.6056 -6.6036 -6.6018 -5.5796 -5.5792 -5.5785 -5.5766 -5.5653 -5.5645 6.9699 6.9755 9.9241 9.9756 10.6126 10.6779 10.6961 10.8366 10.9365 11.0961 11.3159 11.3605 11.4277 11.5032 13.3116 13.4252 13.8945 13.9125 15.3921 15.4227 16.6692 16.6769 17.2554 17.3127 17.5183 17.5900 k = 0.5486-0.2045 0.4082 ( 3242 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5046 -39.3242 -39.3236 -34.8532 -34.8530 -34.8518 -34.8511 -21.8157 -21.8144 -14.0987 -14.0966 -14.0850 -14.0842 -6.6061 -6.6058 -6.6036 -6.6019 -5.5799 -5.5795 -5.5785 -5.5768 -5.5653 -5.5646 6.9641 6.9689 9.9226 9.9681 10.6205 10.6850 10.6960 10.8332 10.9266 11.0798 11.3303 11.3709 11.4313 11.5027 13.3917 13.4917 13.9266 13.9370 15.3608 15.3861 16.6069 16.6128 17.2412 17.2682 17.5176 17.5653 k = 0.5417-0.2165 0.4082 ( 3252 PWs) bands (ev): -70.5086 -70.5086 -47.5046 -47.5046 -39.3241 -39.3237 -34.8531 -34.8530 -34.8518 -34.8511 -21.8156 -21.8145 -14.0986 -14.0968 -14.0848 -14.0841 -6.6064 -6.6061 -6.6036 -6.6022 -5.5802 -5.5799 -5.5786 -5.5771 -5.5653 -5.5647 6.9589 6.9630 9.9219 9.9613 10.6294 10.6909 10.6960 10.8226 10.9237 11.0621 11.3430 11.3802 11.4362 11.5016 13.4655 13.5498 13.9623 13.9647 15.3309 15.3511 16.5515 16.5558 17.2173 17.2216 17.5173 17.5437 k = 0.5347-0.2285 0.4082 ( 3248 PWs) bands (ev): -70.5085 -70.5085 -47.5046 -47.5046 -39.3241 -39.3237 -34.8531 -34.8530 -34.8517 -34.8512 -21.8155 -21.8146 -14.0986 -14.0971 -14.0846 -14.0840 -6.6065 -6.6062 -6.6035 -6.6023 -5.5803 -5.5801 -5.5785 -5.5772 -5.5652 -5.5647 6.9545 6.9579 9.9219 9.9551 10.6394 10.6956 10.6962 10.8067 10.9263 11.0444 11.3543 11.3873 11.4424 11.5000 13.5306 13.5980 13.9953 14.0005 15.3028 15.3181 16.5034 16.5066 17.1763 17.1858 17.5172 17.5284 k = 0.5278-0.2406 0.4082 ( 3250 PWs) bands (ev): -70.5086 -70.5086 -47.5046 -47.5046 -39.3241 -39.3237 -34.8531 -34.8530 -34.8517 -34.8513 -21.8154 -21.8147 -14.0985 -14.0973 -14.0844 -14.0839 -6.6066 -6.6064 -6.6034 -6.6024 -5.5805 -5.5803 -5.5785 -5.5774 -5.5651 -5.5647 6.9509 6.9536 9.9227 9.9494 10.6507 10.6966 10.6989 10.7881 10.9322 11.0272 11.3641 11.3919 11.4498 11.4977 13.5848 13.6355 14.0279 14.0385 15.2773 15.2881 16.4633 16.4656 17.1352 17.1508 17.5169 17.5193 k = 0.5208-0.2526 0.4082 ( 3258 PWs) bands (ev): -70.5086 -70.5086 -47.5046 -47.5046 -39.3240 -39.3238 -34.8531 -34.8531 -34.8516 -34.8513 -21.8153 -21.8148 -14.0984 -14.0975 -14.0842 -14.0839 -6.6067 -6.6066 -6.6034 -6.6027 -5.5807 -5.5805 -5.5784 -5.5776 -5.5651 -5.5648 6.9481 6.9501 9.9241 9.9442 10.6633 10.6973 10.7012 10.7685 10.9399 11.0110 11.3724 11.3941 11.4577 11.4945 13.6273 13.6627 14.0602 14.0730 15.2552 15.2622 16.4316 16.4332 17.1011 17.1171 17.5148 17.5165 k = 0.5139-0.2646 0.4082 ( 3250 PWs) bands (ev): -70.5086 -70.5086 -47.5046 -47.5046 -39.3240 -39.3238 -34.8531 -34.8531 -34.8516 -34.8514 -21.8152 -21.8149 -14.0983 -14.0977 -14.0841 -14.0839 -6.6067 -6.6065 -6.6033 -6.6027 -5.5806 -5.5805 -5.5783 -5.5777 -5.5650 -5.5648 6.9462 6.9475 9.9261 9.9396 10.6771 10.6981 10.7027 10.7491 10.9490 10.9961 11.3795 11.3943 11.4656 11.4905 13.6580 13.6802 14.0887 14.0999 15.2379 15.2419 16.4087 16.4097 17.0763 17.0889 17.5132 17.5158 k = 0.5069-0.2766 0.4082 ( 3250 PWs) bands (ev): -70.5086 -70.5086 -47.5046 -47.5046 -39.3239 -39.3239 -34.8531 -34.8531 -34.8515 -34.8514 -21.8151 -21.8149 -14.0981 -14.0978 -14.0840 -14.0839 -6.6067 -6.6066 -6.6031 -6.6029 -5.5807 -5.5806 -5.5781 -5.5779 -5.5649 -5.5648 6.9452 6.9458 9.9287 9.9355 10.6909 10.6987 10.7047 10.7305 10.9591 10.9826 11.3853 11.3927 11.4730 11.4855 13.6779 13.6885 14.1095 14.1160 15.2270 15.2288 16.3949 16.3954 17.0624 17.0691 17.5132 17.5149 k = 0.5000-0.2887 0.4082 ( 3250 PWs) bands (ev): -70.5086 -70.5086 -47.5046 -47.5046 -39.3239 -39.3239 -34.8531 -34.8531 -34.8515 -34.8515 -21.8150 -21.8150 -14.0980 -14.0980 -14.0839 -14.0839 -6.6066 -6.6066 -6.6030 -6.6030 -5.5807 -5.5807 -5.5780 -5.5780 -5.5649 -5.5649 6.9450 6.9450 9.9319 9.9319 10.6981 10.6981 10.7139 10.7139 10.9702 10.9702 11.3897 11.3897 11.4797 11.4797 13.6878 13.6878 14.1192 14.1192 15.2237 15.2237 16.3905 16.3905 17.0600 17.0600 17.5139 17.5139 Writing output data file HfSnPd.save init_run : 1.15s CPU 0.68s WALL ( 1 calls) electrons : 278.78s CPU 178.85s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.10s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 278.78s CPU 178.84s 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 : 0.32s CPU 0.18s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.32s CPU 0.37s WALL ( 334 calls) cegterg : 245.56s CPU 159.21s WALL ( 342 calls) Called by sum_band: Called by *egterg: h_psi : 179.11s CPU 105.30s WALL ( 6059 calls) s_psi : 6.68s CPU 4.17s WALL ( 6059 calls) g_psi : 0.22s CPU 0.17s WALL ( 5383 calls) cdiaghg : 67.13s CPU 51.08s WALL ( 5717 calls) cegterg:over : 8.54s CPU 5.67s WALL ( 5383 calls) cegterg:upda : 6.10s CPU 4.08s WALL ( 5383 calls) cegterg:last : 3.11s CPU 2.27s WALL ( 1010 calls) cdiaghg:chol : 3.48s CPU 2.82s WALL ( 5717 calls) cdiaghg:inve : 2.65s CPU 1.82s WALL ( 5717 calls) cdiaghg:para : 3.78s CPU 2.92s WALL ( 11434 calls) Called by h_psi: h_psi:vloc : 163.90s CPU 95.71s WALL ( 6059 calls) h_psi:vnl : 14.96s CPU 9.43s WALL ( 6059 calls) add_vuspsi : 8.88s CPU 5.56s WALL ( 6059 calls) General routines calbec : 6.06s CPU 3.85s WALL ( 6059 calls) fft : 0.02s CPU 0.01s WALL ( 19 calls) ffts : 0.02s CPU 0.01s WALL ( 4 calls) fftw : 153.66s CPU 89.20s WALL ( 698928 calls) interpolate : 0.02s CPU 0.01s WALL ( 4 calls) davcio : 0.37s CPU 0.70s WALL ( 668 calls) Parallel routines fft_scatter : 59.56s CPU 36.80s WALL ( 698951 calls) PWSCF : 4m55.44s CPU 3m28.20s WALL This run was terminated on: 4: 4:58 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=