Program PWSCF v.5.4.0 starts on 12Feb2017 at 4:40:31 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: ./ZrSnPd.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 2536 715 110 Max 75 33 11 2540 742 113 Sum 2677 1159 337 91353 26229 4015 bravais-lattice index = 14 lattice parameter (alat) = 8.4464 a.u. unit-cell volume = 426.0827 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 3 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 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)= 8.446361 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 Zr read from file: /users/gautes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 2 for Sn read from file: /users/gautes/Pseudo/Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 9499e19b89e678f7f9f46ad7de03aa82 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for 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 Zr 4.00 91.22400 Zr( 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 0.4386792), wk = 0.0029940 k( 120) = ( 0.2122642 0.2122642 0.4245283), wk = 0.0029940 k( 121) = ( 0.2051887 0.2051887 0.4103774), wk = 0.0029940 k( 122) = ( 0.1981132 0.1981132 0.3962264), wk = 0.0029940 k( 123) = ( 0.1910377 0.1910377 0.3820755), wk = 0.0029940 k( 124) = ( 0.1839623 0.1839623 0.3679245), wk = 0.0029940 k( 125) = ( 0.1768868 0.1768868 0.3537736), wk = 0.0029940 k( 126) = ( 0.1698113 0.1698113 0.3396226), wk = 0.0029940 k( 127) = ( 0.1627358 0.1627358 0.3254717), wk = 0.0029940 k( 128) = ( 0.1556604 0.1556604 0.3113207), wk = 0.0029940 k( 129) = ( 0.1485849 0.1485849 0.2971698), wk = 0.0029940 k( 130) = ( 0.1415094 0.1415094 0.2830189), wk = 0.0029940 k( 131) = ( 0.1344340 0.1344340 0.2688679), wk = 0.0029940 k( 132) = ( 0.1273585 0.1273585 0.2547170), wk = 0.0029940 k( 133) = ( 0.1202830 0.1202830 0.2405660), wk = 0.0029940 k( 134) = ( 0.1132076 0.1132076 0.2264151), wk = 0.0029940 k( 135) = ( 0.1061321 0.1061321 0.2122642), wk = 0.0029940 k( 136) = ( 0.0990566 0.0990566 0.1981132), wk = 0.0029940 k( 137) = ( 0.0919811 0.0919811 0.1839623), wk = 0.0029940 k( 138) = ( 0.0849057 0.0849057 0.1698113), wk = 0.0029940 k( 139) = ( 0.0778302 0.0778302 0.1556604), wk = 0.0029940 k( 140) = ( 0.0707547 0.0707547 0.1415094), wk = 0.0029940 k( 141) = ( 0.0636793 0.0636793 0.1273585), wk = 0.0029940 k( 142) = ( 0.0566038 0.0566038 0.1132076), wk = 0.0029940 k( 143) = ( 0.0495283 0.0495283 0.0990566), wk = 0.0029940 k( 144) = ( 0.0424528 0.0424528 0.0849057), wk = 0.0029940 k( 145) = ( 0.0353774 0.0353774 0.0707547), wk = 0.0029940 k( 146) = ( 0.0283019 0.0283019 0.0566038), wk = 0.0029940 k( 147) = ( 0.0212264 0.0212264 0.0424528), wk = 0.0029940 k( 148) = ( 0.0141509 0.0141509 0.0283019), wk = 0.0029940 k( 149) = ( 0.0070755 0.0070755 0.0141509), wk = 0.0029940 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029940 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029940 k( 152) = ( 0.0113636 0.0113636 0.0113636), wk = 0.0029940 k( 153) = ( 0.0227273 0.0227273 0.0227273), wk = 0.0029940 k( 154) = ( 0.0340909 0.0340909 0.0340909), wk = 0.0029940 k( 155) = ( 0.0454546 0.0454546 0.0454546), wk = 0.0029940 k( 156) = ( 0.0568182 0.0568182 0.0568182), wk = 0.0029940 k( 157) = ( 0.0681818 0.0681818 0.0681818), wk = 0.0029940 k( 158) = ( 0.0795455 0.0795455 0.0795454), wk = 0.0029940 k( 159) = ( 0.0909091 0.0909091 0.0909091), wk = 0.0029940 k( 160) = ( 0.1022727 0.1022727 0.1022727), wk = 0.0029940 k( 161) = ( 0.1136364 0.1136364 0.1136364), wk = 0.0029940 k( 162) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0029940 k( 163) = ( 0.1363636 0.1363636 0.1363636), wk = 0.0029940 k( 164) = ( 0.1477273 0.1477273 0.1477273), wk = 0.0029940 k( 165) = ( 0.1590909 0.1590909 0.1590909), wk = 0.0029940 k( 166) = ( 0.1704546 0.1704546 0.1704546), wk = 0.0029940 k( 167) = ( 0.1818182 0.1818182 0.1818182), wk = 0.0029940 k( 168) = ( 0.1931818 0.1931818 0.1931818), wk = 0.0029940 k( 169) = ( 0.2045454 0.2045454 0.2045454), wk = 0.0029940 k( 170) = ( 0.2159091 0.2159091 0.2159091), wk = 0.0029940 k( 171) = ( 0.2272727 0.2272727 0.2272727), wk = 0.0029940 k( 172) = ( 0.2386364 0.2386364 0.2386364), wk = 0.0029940 k( 173) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029940 k( 174) = ( 0.2613636 0.2613636 0.2613636), wk = 0.0029940 k( 175) = ( 0.2727273 0.2727273 0.2727273), wk = 0.0029940 k( 176) = ( 0.2840909 0.2840909 0.2840909), wk = 0.0029940 k( 177) = ( 0.2954545 0.2954545 0.2954545), wk = 0.0029940 k( 178) = ( 0.3068182 0.3068182 0.3068182), wk = 0.0029940 k( 179) = ( 0.3181818 0.3181818 0.3181818), wk = 0.0029940 k( 180) = ( 0.3295455 0.3295455 0.3295455), wk = 0.0029940 k( 181) = ( 0.3409091 0.3409091 0.3409091), wk = 0.0029940 k( 182) = ( 0.3522727 0.3522727 0.3522727), wk = 0.0029940 k( 183) = ( 0.3636364 0.3636364 0.3636364), wk = 0.0029940 k( 184) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0029940 k( 185) = ( 0.3863636 0.3863636 0.3863636), wk = 0.0029940 k( 186) = ( 0.3977273 0.3977273 0.3977273), wk = 0.0029940 k( 187) = ( 0.4090909 0.4090909 0.4090909), wk = 0.0029940 k( 188) = ( 0.4204545 0.4204545 0.4204545), wk = 0.0029940 k( 189) = ( 0.4318182 0.4318182 0.4318182), wk = 0.0029940 k( 190) = ( 0.4431818 0.4431818 0.4431818), wk = 0.0029940 k( 191) = ( 0.4545455 0.4545455 0.4545454), wk = 0.0029940 k( 192) = ( 0.4659091 0.4659091 0.4659091), wk = 0.0029940 k( 193) = ( 0.4772727 0.4772727 0.4772727), wk = 0.0029940 k( 194) = ( 0.4886364 0.4886364 0.4886364), wk = 0.0029940 k( 195) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029940 k( 196) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029940 k( 197) = ( 0.5040323 0.4919355 0.5040323), wk = 0.0029940 k( 198) = ( 0.5080645 0.4838710 0.5080645), wk = 0.0029940 k( 199) = ( 0.5120968 0.4758064 0.5120968), wk = 0.0029940 k( 200) = ( 0.5161290 0.4677419 0.5161290), wk = 0.0029940 k( 201) = ( 0.5201613 0.4596774 0.5201613), wk = 0.0029940 k( 202) = ( 0.5241936 0.4516129 0.5241936), wk = 0.0029940 k( 203) = ( 0.5282258 0.4435484 0.5282258), wk = 0.0029940 k( 204) = ( 0.5322581 0.4354839 0.5322581), wk = 0.0029940 k( 205) = ( 0.5362903 0.4274193 0.5362903), wk = 0.0029940 k( 206) = ( 0.5403226 0.4193548 0.5403226), wk = 0.0029940 k( 207) = ( 0.5443548 0.4112903 0.5443548), wk = 0.0029940 k( 208) = ( 0.5483871 0.4032258 0.5483871), wk = 0.0029940 k( 209) = ( 0.5524193 0.3951613 0.5524193), wk = 0.0029940 k( 210) = ( 0.5564516 0.3870968 0.5564516), wk = 0.0029940 k( 211) = ( 0.5604839 0.3790323 0.5604839), wk = 0.0029940 k( 212) = ( 0.5645161 0.3709677 0.5645161), wk = 0.0029940 k( 213) = ( 0.5685484 0.3629032 0.5685484), wk = 0.0029940 k( 214) = ( 0.5725807 0.3548387 0.5725806), wk = 0.0029940 k( 215) = ( 0.5766129 0.3467742 0.5766129), wk = 0.0029940 k( 216) = ( 0.5806452 0.3387097 0.5806452), wk = 0.0029940 k( 217) = ( 0.5846774 0.3306452 0.5846774), wk = 0.0029940 k( 218) = ( 0.5887097 0.3225807 0.5887097), wk = 0.0029940 k( 219) = ( 0.5927419 0.3145161 0.5927419), wk = 0.0029940 k( 220) = ( 0.5967742 0.3064516 0.5967742), wk = 0.0029940 k( 221) = ( 0.6008064 0.2983871 0.6008064), wk = 0.0029940 k( 222) = ( 0.6048387 0.2903226 0.6048387), wk = 0.0029940 k( 223) = ( 0.6088710 0.2822581 0.6088710), wk = 0.0029940 k( 224) = ( 0.6129032 0.2741935 0.6129032), wk = 0.0029940 k( 225) = ( 0.6169355 0.2661290 0.6169355), wk = 0.0029940 k( 226) = ( 0.6209677 0.2580645 0.6209677), wk = 0.0029940 k( 227) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0029940 k( 228) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0029940 k( 229) = ( 0.6180556 0.2500000 0.6319444), wk = 0.0029940 k( 230) = ( 0.6111111 0.2500000 0.6388889), wk = 0.0029940 k( 231) = ( 0.6041667 0.2500000 0.6458333), wk = 0.0029940 k( 232) = ( 0.5972222 0.2500000 0.6527778), wk = 0.0029940 k( 233) = ( 0.5902778 0.2500000 0.6597222), wk = 0.0029940 k( 234) = ( 0.5833333 0.2500000 0.6666667), wk = 0.0029940 k( 235) = ( 0.5763889 0.2500000 0.6736111), wk = 0.0029940 k( 236) = ( 0.5694444 0.2500000 0.6805556), wk = 0.0029940 k( 237) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0029940 k( 238) = ( 0.5555556 0.2500000 0.6944444), wk = 0.0029940 k( 239) = ( 0.5486111 0.2500000 0.7013889), wk = 0.0029940 k( 240) = ( 0.5416667 0.2500000 0.7083333), wk = 0.0029940 k( 241) = ( 0.5347222 0.2500000 0.7152778), wk = 0.0029940 k( 242) = ( 0.5277778 0.2500000 0.7222222), wk = 0.0029940 k( 243) = ( 0.5208333 0.2500000 0.7291667), wk = 0.0029940 k( 244) = ( 0.5138889 0.2500000 0.7361111), wk = 0.0029940 k( 245) = ( 0.5069444 0.2500000 0.7430556), wk = 0.0029940 k( 246) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0029940 k( 247) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0029940 k( 248) = ( 0.5000000 0.2569444 0.7430556), wk = 0.0029940 k( 249) = ( 0.5000000 0.2638889 0.7361111), wk = 0.0029940 k( 250) = ( 0.5000000 0.2708333 0.7291667), wk = 0.0029940 k( 251) = ( 0.5000000 0.2777778 0.7222222), wk = 0.0029940 k( 252) = ( 0.5000000 0.2847222 0.7152778), wk = 0.0029940 k( 253) = ( 0.5000000 0.2916667 0.7083333), wk = 0.0029940 k( 254) = ( 0.5000000 0.2986111 0.7013889), wk = 0.0029940 k( 255) = ( 0.5000000 0.3055556 0.6944444), wk = 0.0029940 k( 256) = ( 0.5000000 0.3125000 0.6875000), wk = 0.0029940 k( 257) = ( 0.5000000 0.3194444 0.6805556), wk = 0.0029940 k( 258) = ( 0.5000000 0.3263889 0.6736111), wk = 0.0029940 k( 259) = ( 0.5000000 0.3333333 0.6666667), wk = 0.0029940 k( 260) = ( 0.5000000 0.3402778 0.6597222), wk = 0.0029940 k( 261) = ( 0.5000000 0.3472222 0.6527778), wk = 0.0029940 k( 262) = ( 0.5000000 0.3541667 0.6458333), wk = 0.0029940 k( 263) = ( 0.5000000 0.3611111 0.6388889), wk = 0.0029940 k( 264) = ( 0.5000000 0.3680556 0.6319444), wk = 0.0029940 k( 265) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0029940 k( 266) = ( 0.5000000 0.3819444 0.6180556), wk = 0.0029940 k( 267) = ( 0.5000000 0.3888889 0.6111111), wk = 0.0029940 k( 268) = ( 0.5000000 0.3958333 0.6041667), wk = 0.0029940 k( 269) = ( 0.5000000 0.4027778 0.5972222), wk = 0.0029940 k( 270) = ( 0.5000000 0.4097222 0.5902778), wk = 0.0029940 k( 271) = ( 0.5000000 0.4166667 0.5833333), wk = 0.0029940 k( 272) = ( 0.5000000 0.4236111 0.5763889), wk = 0.0029940 k( 273) = ( 0.5000000 0.4305556 0.5694444), wk = 0.0029940 k( 274) = ( 0.5000000 0.4375000 0.5625000), wk = 0.0029940 k( 275) = ( 0.5000000 0.4444444 0.5555556), wk = 0.0029940 k( 276) = ( 0.5000000 0.4513889 0.5486111), wk = 0.0029940 k( 277) = ( 0.5000000 0.4583333 0.5416667), wk = 0.0029940 k( 278) = ( 0.5000000 0.4652778 0.5347222), wk = 0.0029940 k( 279) = ( 0.5000000 0.4722222 0.5277778), wk = 0.0029940 k( 280) = ( 0.5000000 0.4791667 0.5208333), wk = 0.0029940 k( 281) = ( 0.5000000 0.4861111 0.5138889), wk = 0.0029940 k( 282) = ( 0.5000000 0.4930556 0.5069444), wk = 0.0029940 k( 283) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029940 k( 284) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029940 k( 285) = ( 0.4959677 0.4959677 0.5080645), wk = 0.0029940 k( 286) = ( 0.4919355 0.4919355 0.5161290), wk = 0.0029940 k( 287) = ( 0.4879032 0.4879032 0.5241936), wk = 0.0029940 k( 288) = ( 0.4838710 0.4838710 0.5322581), wk = 0.0029940 k( 289) = ( 0.4798387 0.4798387 0.5403226), wk = 0.0029940 k( 290) = ( 0.4758064 0.4758064 0.5483871), wk = 0.0029940 k( 291) = ( 0.4717742 0.4717742 0.5564516), wk = 0.0029940 k( 292) = ( 0.4677419 0.4677419 0.5645161), wk = 0.0029940 k( 293) = ( 0.4637097 0.4637097 0.5725807), wk = 0.0029940 k( 294) = ( 0.4596774 0.4596774 0.5806452), wk = 0.0029940 k( 295) = ( 0.4556452 0.4556452 0.5887097), wk = 0.0029940 k( 296) = ( 0.4516129 0.4516129 0.5967742), wk = 0.0029940 k( 297) = ( 0.4475807 0.4475807 0.6048387), wk = 0.0029940 k( 298) = ( 0.4435484 0.4435484 0.6129032), wk = 0.0029940 k( 299) = ( 0.4395161 0.4395161 0.6209677), wk = 0.0029940 k( 300) = ( 0.4354839 0.4354839 0.6290323), wk = 0.0029940 k( 301) = ( 0.4314516 0.4314516 0.6370968), wk = 0.0029940 k( 302) = ( 0.4274193 0.4274193 0.6451613), wk = 0.0029940 k( 303) = ( 0.4233871 0.4233871 0.6532258), wk = 0.0029940 k( 304) = ( 0.4193548 0.4193548 0.6612903), wk = 0.0029940 k( 305) = ( 0.4153226 0.4153226 0.6693548), wk = 0.0029940 k( 306) = ( 0.4112903 0.4112903 0.6774193), wk = 0.0029940 k( 307) = ( 0.4072581 0.4072581 0.6854839), wk = 0.0029940 k( 308) = ( 0.4032258 0.4032258 0.6935484), wk = 0.0029940 k( 309) = ( 0.3991936 0.3991936 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: 91353 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 26229 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.13 Mb ( 192, 44) NL pseudopotentials 0.12 Mb ( 96, 84) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.02 Mb ( 2540) G-vector shells 0.00 Mb ( 614) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.52 Mb ( 192, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.11 Mb ( 84, 2, 44) The potential is recalculated from file : ./ZrSnPd.save/charge-density.dat Starting wfc are 56 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.0 secs Computing kpt #: 2 total cpu time spent up to now is 3.6 secs Computing kpt #: 3 total cpu time spent up to now is 4.2 secs Computing kpt #: 4 total cpu time spent up to now is 4.8 secs Computing kpt #: 5 total cpu time spent up to now is 5.3 secs Computing kpt #: 6 total cpu time spent up to now is 5.9 secs Computing kpt #: 7 total cpu time spent up to now is 6.4 secs Computing kpt #: 8 total cpu time spent up to now is 7.0 secs Computing kpt #: 9 total cpu time spent up to now is 7.5 secs Computing kpt #: 10 total cpu time spent up to now is 8.1 secs Computing kpt #: 11 total cpu time spent up to now is 8.6 secs Computing kpt #: 12 total cpu time spent up to now is 9.2 secs Computing kpt #: 13 total cpu time spent up to now is 9.7 secs Computing kpt #: 14 total cpu time spent up to now is 10.2 secs Computing kpt #: 15 total cpu time spent up to now is 10.8 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 12.0 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 13.0 secs Computing kpt #: 20 total cpu time spent up to now is 13.6 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 15.6 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 17.1 secs Computing kpt #: 28 total cpu time spent up to now is 17.6 secs Computing kpt #: 29 total cpu time spent up to now is 18.0 secs Computing kpt #: 30 total cpu time spent up to now is 18.5 secs Computing kpt #: 31 total cpu time spent up to now is 18.9 secs Computing kpt #: 32 total cpu time spent up to now is 19.4 secs Computing kpt #: 33 total cpu time spent up to now is 19.9 secs Computing kpt #: 34 total cpu time spent up to now is 20.3 secs Computing kpt #: 35 total cpu time spent up to now is 20.8 secs Computing kpt #: 36 total cpu time spent up to now is 21.3 secs Computing kpt #: 37 total cpu time spent up to now is 21.7 secs Computing kpt #: 38 total cpu time spent up to now is 22.2 secs Computing kpt #: 39 total cpu time spent up to now is 22.6 secs Computing kpt #: 40 total cpu time spent up to now is 23.1 secs Computing kpt #: 41 total cpu time spent up to now is 23.5 secs Computing kpt #: 42 total cpu time spent up to now is 24.0 secs Computing kpt #: 43 total cpu time spent up to now is 24.5 secs Computing kpt #: 44 total cpu time spent up to now is 24.9 secs Computing kpt #: 45 total cpu time spent up to now is 25.3 secs Computing kpt #: 46 total cpu time spent up to now is 25.7 secs Computing kpt #: 47 total cpu time spent up to now is 26.2 secs Computing kpt #: 48 total cpu time spent up to now is 26.7 secs Computing kpt #: 49 total cpu time spent up to now is 27.1 secs Computing kpt #: 50 total cpu time spent up to now is 27.6 secs Computing kpt #: 51 total cpu time spent up to now is 28.0 secs Computing kpt #: 52 total cpu time spent up to now is 28.5 secs Computing kpt #: 53 total cpu time spent up to now is 28.9 secs Computing kpt #: 54 total cpu time spent up to now is 29.4 secs Computing kpt #: 55 total cpu time spent up to now is 29.8 secs Computing kpt #: 56 total cpu time spent up to now is 30.7 secs Computing kpt #: 57 total cpu time spent up to now is 31.2 secs Computing kpt #: 58 total cpu time spent up to now is 31.7 secs Computing kpt #: 59 total cpu time spent up to now is 32.1 secs Computing kpt #: 60 total cpu time spent up to now is 32.5 secs Computing kpt #: 61 total cpu time spent up to now is 33.0 secs Computing kpt #: 62 total cpu time spent up to now is 33.4 secs Computing kpt #: 63 total cpu time spent up to now is 33.9 secs Computing kpt #: 64 total cpu time spent up to now is 34.3 secs Computing kpt #: 65 total cpu time spent up to now is 34.7 secs Computing kpt #: 66 total cpu time spent up to now is 35.1 secs Computing kpt #: 67 total cpu time spent up to now is 35.5 secs Computing kpt #: 68 total cpu time spent up to now is 35.9 secs Computing kpt #: 69 total cpu time spent up to now is 36.3 secs Computing kpt #: 70 total cpu time spent up to now is 36.7 secs Computing kpt #: 71 total cpu time spent up to now is 37.1 secs Computing kpt #: 72 total cpu time spent up to now is 37.5 secs Computing kpt #: 73 total cpu time spent up to now is 37.9 secs Computing kpt #: 74 total cpu time spent up to now is 38.3 secs Computing kpt #: 75 total cpu time spent up to now is 38.6 secs Computing kpt #: 76 total cpu time spent up to now is 39.0 secs Computing kpt #: 77 total cpu time spent up to now is 39.4 secs Computing kpt #: 78 total cpu time spent up to now is 39.8 secs Computing kpt #: 79 total cpu time spent up to now is 40.2 secs Computing kpt #: 80 total cpu time spent up to now is 40.6 secs Computing kpt #: 81 total cpu time spent up to now is 41.0 secs Computing kpt #: 82 total cpu time spent up to now is 41.4 secs Computing kpt #: 83 total cpu time spent up to now is 41.8 secs Computing kpt #: 84 total cpu time spent up to now is 42.3 secs Computing kpt #: 85 total cpu time spent up to now is 42.7 secs Computing kpt #: 86 total cpu time spent up to now is 43.1 secs Computing kpt #: 87 total cpu time spent up to now is 43.6 secs Computing kpt #: 88 total cpu time spent up to now is 44.1 secs Computing kpt #: 89 total cpu time spent up to now is 44.5 secs Computing kpt #: 90 total cpu time spent up to now is 44.9 secs Computing kpt #: 91 total cpu time spent up to now is 45.4 secs Computing kpt #: 92 total cpu time spent up to now is 45.8 secs Computing kpt #: 93 total cpu time spent up to now is 46.3 secs Computing kpt #: 94 total cpu time spent up to now is 46.7 secs Computing kpt #: 95 total cpu time spent up to now is 47.2 secs Computing kpt #: 96 total cpu time spent up to now is 47.7 secs Computing kpt #: 97 total cpu time spent up to now is 48.1 secs Computing kpt #: 98 total cpu time spent up to now is 48.6 secs Computing kpt #: 99 total cpu time spent up to now is 49.0 secs Computing kpt #: 100 total cpu time spent up to now is 49.5 secs Computing kpt #: 101 total cpu time spent up to now is 49.9 secs Computing kpt #: 102 total cpu time spent up to now is 50.3 secs Computing kpt #: 103 total cpu time spent up to now is 50.8 secs Computing kpt #: 104 total cpu time spent up to now is 51.2 secs Computing kpt #: 105 total cpu time spent up to now is 51.7 secs Computing kpt #: 106 total cpu time spent up to now is 52.1 secs Computing kpt #: 107 total cpu time spent up to now is 52.5 secs Computing kpt #: 108 total cpu time spent up to now is 53.0 secs Computing kpt #: 109 total cpu time spent up to now is 53.4 secs Computing kpt #: 110 total cpu time spent up to now is 53.8 secs Computing kpt #: 111 total cpu time spent up to now is 54.3 secs Computing kpt #: 112 total cpu time spent up to now is 54.7 secs Computing kpt #: 113 total cpu time spent up to now is 55.2 secs Computing kpt #: 114 total cpu time spent up to now is 55.6 secs Computing kpt #: 115 total cpu time spent up to now is 56.1 secs Computing kpt #: 116 total cpu time spent up to now is 56.5 secs Computing kpt #: 117 total cpu time spent up to now is 56.9 secs Computing kpt #: 118 total cpu time spent up to now is 57.4 secs Computing kpt #: 119 total cpu time spent up to now is 57.9 secs Computing kpt #: 120 total cpu time spent up to now is 58.3 secs Computing kpt #: 121 total cpu time spent up to now is 58.8 secs Computing kpt #: 122 total cpu time spent up to now is 59.2 secs Computing kpt #: 123 total cpu time spent up to now is 59.7 secs Computing kpt #: 124 total cpu time spent up to now is 60.2 secs Computing kpt #: 125 total cpu time spent up to now is 60.6 secs Computing kpt #: 126 total cpu time spent up to now is 61.1 secs Computing kpt #: 127 total cpu time spent up to now is 61.5 secs Computing kpt #: 128 total cpu time spent up to now is 62.0 secs Computing kpt #: 129 total cpu time spent up to now is 62.5 secs Computing kpt #: 130 total cpu time spent up to now is 63.0 secs Computing kpt #: 131 total cpu time spent up to now is 63.9 secs Computing kpt #: 132 total cpu time spent up to now is 64.4 secs Computing kpt #: 133 total cpu time spent up to now is 64.9 secs Computing kpt #: 134 total cpu time spent up to now is 65.4 secs Computing kpt #: 135 total cpu time spent up to now is 65.9 secs Computing kpt #: 136 total cpu time spent up to now is 66.4 secs Computing kpt #: 137 total cpu time spent up to now is 66.9 secs Computing kpt #: 138 total cpu time spent up to now is 67.5 secs Computing kpt #: 139 total cpu time spent up to now is 68.0 secs Computing kpt #: 140 total cpu time spent up to now is 68.6 secs Computing kpt #: 141 total cpu time spent up to now is 69.2 secs Computing kpt #: 142 total cpu time spent up to now is 69.7 secs Computing kpt #: 143 total cpu time spent up to now is 70.2 secs Computing kpt #: 144 total cpu time spent up to now is 70.8 secs Computing kpt #: 145 total cpu time spent up to now is 71.3 secs Computing kpt #: 146 total cpu time spent up to now is 71.8 secs Computing kpt #: 147 total cpu time spent up to now is 72.4 secs Computing kpt #: 148 total cpu time spent up to now is 73.0 secs Computing kpt #: 149 total cpu time spent up to now is 73.5 secs Computing kpt #: 150 total cpu time spent up to now is 74.0 secs Computing kpt #: 151 total cpu time spent up to now is 74.5 secs Computing kpt #: 152 total cpu time spent up to now is 75.1 secs Computing kpt #: 153 total cpu time spent up to now is 75.6 secs Computing kpt #: 154 total cpu time spent up to now is 76.1 secs Computing kpt #: 155 total cpu time spent up to now is 76.6 secs Computing kpt #: 156 total cpu time spent up to now is 77.1 secs Computing kpt #: 157 total cpu time spent up to now is 77.6 secs Computing kpt #: 158 total cpu time spent up to now is 78.1 secs Computing kpt #: 159 total cpu time spent up to now is 78.5 secs Computing kpt #: 160 total cpu time spent up to now is 79.0 secs Computing kpt #: 161 total cpu time spent up to now is 79.5 secs Computing kpt #: 162 total cpu time spent up to now is 80.0 secs Computing kpt #: 163 total cpu time spent up to now is 80.5 secs Computing kpt #: 164 total cpu time spent up to now is 80.9 secs Computing kpt #: 165 total cpu time spent up to now is 81.4 secs Computing kpt #: 166 total cpu time spent up to now is 81.9 secs Computing kpt #: 167 total cpu time spent up to now is 82.3 secs Computing kpt #: 168 total cpu time spent up to now is 82.7 secs Computing kpt #: 169 total cpu time spent up to now is 83.2 secs Computing kpt #: 170 total cpu time spent up to now is 83.7 secs Computing kpt #: 171 total cpu time spent up to now is 84.1 secs Computing kpt #: 172 total cpu time spent up to now is 84.6 secs Computing kpt #: 173 total cpu time spent up to now is 85.0 secs Computing kpt #: 174 total cpu time spent up to now is 85.4 secs Computing kpt #: 175 total cpu time spent up to now is 85.9 secs Computing kpt #: 176 total cpu time spent up to now is 86.4 secs Computing kpt #: 177 total cpu time spent up to now is 86.8 secs Computing kpt #: 178 total cpu time spent up to now is 87.3 secs Computing kpt #: 179 total cpu time spent up to now is 87.7 secs Computing kpt #: 180 total cpu time spent up to now is 88.2 secs Computing kpt #: 181 total cpu time spent up to now is 88.6 secs Computing kpt #: 182 total cpu time spent up to now is 89.1 secs Computing kpt #: 183 total cpu time spent up to now is 89.5 secs Computing kpt #: 184 total cpu time spent up to now is 90.0 secs Computing kpt #: 185 total cpu time spent up to now is 90.5 secs Computing kpt #: 186 total cpu time spent up to now is 91.0 secs Computing kpt #: 187 total cpu time spent up to now is 91.5 secs Computing kpt #: 188 total cpu time spent up to now is 91.9 secs Computing kpt #: 189 total cpu time spent up to now is 92.4 secs Computing kpt #: 190 total cpu time spent up to now is 92.9 secs Computing kpt #: 191 total cpu time spent up to now is 93.4 secs Computing kpt #: 192 total cpu time spent up to now is 94.0 secs Computing kpt #: 193 total cpu time spent up to now is 94.4 secs Computing kpt #: 194 total cpu time spent up to now is 94.9 secs Computing kpt #: 195 total cpu time spent up to now is 95.4 secs Computing kpt #: 196 total cpu time spent up to now is 95.9 secs Computing kpt #: 197 total cpu time spent up to now is 96.5 secs Computing kpt #: 198 total cpu time spent up to now is 97.0 secs Computing kpt #: 199 total cpu time spent up to now is 97.6 secs Computing kpt #: 200 total cpu time spent up to now is 98.1 secs Computing kpt #: 201 total cpu time spent up to now is 98.6 secs Computing kpt #: 202 total cpu time spent up to now is 99.2 secs Computing kpt #: 203 total cpu time spent up to now is 99.7 secs Computing kpt #: 204 total cpu time spent up to now is 100.2 secs Computing kpt #: 205 total cpu time spent up to now is 100.7 secs Computing kpt #: 206 total cpu time spent up to now is 101.1 secs Computing kpt #: 207 total cpu time spent up to now is 101.6 secs Computing kpt #: 208 total cpu time spent up to now is 102.0 secs Computing kpt #: 209 total cpu time spent up to now is 102.5 secs Computing kpt #: 210 total cpu time spent up to now is 102.9 secs Computing kpt #: 211 total cpu time spent up to now is 103.4 secs Computing kpt #: 212 total cpu time spent up to now is 103.8 secs Computing kpt #: 213 total cpu time spent up to now is 104.3 secs Computing kpt #: 214 total cpu time spent up to now is 104.7 secs Computing kpt #: 215 total cpu time spent up to now is 105.1 secs Computing kpt #: 216 total cpu time spent up to now is 105.6 secs Computing kpt #: 217 total cpu time spent up to now is 106.1 secs Computing kpt #: 218 total cpu time spent up to now is 106.5 secs Computing kpt #: 219 total cpu time spent up to now is 107.0 secs Computing kpt #: 220 total cpu time spent up to now is 107.5 secs Computing kpt #: 221 total cpu time spent up to now is 107.9 secs Computing kpt #: 222 total cpu time spent up to now is 108.4 secs Computing kpt #: 223 total cpu time spent up to now is 108.8 secs Computing kpt #: 224 total cpu time spent up to now is 109.3 secs Computing kpt #: 225 total cpu time spent up to now is 109.7 secs Computing kpt #: 226 total cpu time spent up to now is 110.2 secs Computing kpt #: 227 total cpu time spent up to now is 110.6 secs Computing kpt #: 228 total cpu time spent up to now is 111.1 secs Computing kpt #: 229 total cpu time spent up to now is 111.6 secs Computing kpt #: 230 total cpu time spent up to now is 112.0 secs Computing kpt #: 231 total cpu time spent up to now is 112.5 secs Computing kpt #: 232 total cpu time spent up to now is 113.0 secs Computing kpt #: 233 total cpu time spent up to now is 113.5 secs Computing kpt #: 234 total cpu time spent up to now is 113.9 secs Computing kpt #: 235 total cpu time spent up to now is 114.3 secs Computing kpt #: 236 total cpu time spent up to now is 114.8 secs Computing kpt #: 237 total cpu time spent up to now is 115.3 secs Computing kpt #: 238 total cpu time spent up to now is 115.7 secs Computing kpt #: 239 total cpu time spent up to now is 116.2 secs Computing kpt #: 240 total cpu time spent up to now is 116.6 secs Computing kpt #: 241 total cpu time spent up to now is 117.0 secs Computing kpt #: 242 total cpu time spent up to now is 117.4 secs Computing kpt #: 243 total cpu time spent up to now is 117.9 secs Computing kpt #: 244 total cpu time spent up to now is 118.3 secs Computing kpt #: 245 total cpu time spent up to now is 118.6 secs Computing kpt #: 246 total cpu time spent up to now is 119.1 secs Computing kpt #: 247 total cpu time spent up to now is 119.5 secs Computing kpt #: 248 total cpu time spent up to now is 119.8 secs Computing kpt #: 249 total cpu time spent up to now is 120.2 secs Computing kpt #: 250 total cpu time spent up to now is 120.6 secs Computing kpt #: 251 total cpu time spent up to now is 121.0 secs Computing kpt #: 252 total cpu time spent up to now is 121.5 secs Computing kpt #: 253 total cpu time spent up to now is 121.9 secs Computing kpt #: 254 total cpu time spent up to now is 122.3 secs Computing kpt #: 255 total cpu time spent up to now is 122.7 secs Computing kpt #: 256 total cpu time spent up to now is 123.2 secs Computing kpt #: 257 total cpu time spent up to now is 123.6 secs Computing kpt #: 258 total cpu time spent up to now is 124.1 secs Computing kpt #: 259 total cpu time spent up to now is 124.5 secs Computing kpt #: 260 total cpu time spent up to now is 124.9 secs Computing kpt #: 261 total cpu time spent up to now is 125.3 secs Computing kpt #: 262 total cpu time spent up to now is 125.8 secs Computing kpt #: 263 total cpu time spent up to now is 126.3 secs Computing kpt #: 264 total cpu time spent up to now is 126.8 secs Computing kpt #: 265 total cpu time spent up to now is 127.2 secs Computing kpt #: 266 total cpu time spent up to now is 127.7 secs Computing kpt #: 267 total cpu time spent up to now is 128.2 secs Computing kpt #: 268 total cpu time spent up to now is 128.7 secs Computing kpt #: 269 total cpu time spent up to now is 129.2 secs Computing kpt #: 270 total cpu time spent up to now is 129.6 secs Computing kpt #: 271 total cpu time spent up to now is 130.1 secs Computing kpt #: 272 total cpu time spent up to now is 130.6 secs Computing kpt #: 273 total cpu time spent up to now is 131.1 secs Computing kpt #: 274 total cpu time spent up to now is 131.6 secs Computing kpt #: 275 total cpu time spent up to now is 132.1 secs Computing kpt #: 276 total cpu time spent up to now is 132.7 secs Computing kpt #: 277 total cpu time spent up to now is 133.2 secs Computing kpt #: 278 total cpu time spent up to now is 133.7 secs Computing kpt #: 279 total cpu time spent up to now is 134.3 secs Computing kpt #: 280 total cpu time spent up to now is 134.8 secs Computing kpt #: 281 total cpu time spent up to now is 135.3 secs Computing kpt #: 282 total cpu time spent up to now is 135.9 secs Computing kpt #: 283 total cpu time spent up to now is 136.4 secs Computing kpt #: 284 total cpu time spent up to now is 136.9 secs Computing kpt #: 285 total cpu time spent up to now is 137.5 secs Computing kpt #: 286 total cpu time spent up to now is 138.0 secs Computing kpt #: 287 total cpu time spent up to now is 138.6 secs Computing kpt #: 288 total cpu time spent up to now is 139.1 secs Computing kpt #: 289 total cpu time spent up to now is 139.6 secs Computing kpt #: 290 total cpu time spent up to now is 140.1 secs Computing kpt #: 291 total cpu time spent up to now is 140.7 secs Computing kpt #: 292 total cpu time spent up to now is 141.2 secs Computing kpt #: 293 total cpu time spent up to now is 141.8 secs Computing kpt #: 294 total cpu time spent up to now is 142.2 secs Computing kpt #: 295 total cpu time spent up to now is 142.7 secs Computing kpt #: 296 total cpu time spent up to now is 143.2 secs Computing kpt #: 297 total cpu time spent up to now is 143.6 secs Computing kpt #: 298 total cpu time spent up to now is 144.0 secs Computing kpt #: 299 total cpu time spent up to now is 144.5 secs Computing kpt #: 300 total cpu time spent up to now is 145.0 secs Computing kpt #: 301 total cpu time spent up to now is 145.4 secs Computing kpt #: 302 total cpu time spent up to now is 145.9 secs Computing kpt #: 303 total cpu time spent up to now is 146.3 secs Computing kpt #: 304 total cpu time spent up to now is 146.8 secs Computing kpt #: 305 total cpu time spent up to now is 147.3 secs Computing kpt #: 306 total cpu time spent up to now is 147.7 secs Computing kpt #: 307 total cpu time spent up to now is 148.1 secs Computing kpt #: 308 total cpu time spent up to now is 148.6 secs Computing kpt #: 309 total cpu time spent up to now is 149.1 secs Computing kpt #: 310 total cpu time spent up to now is 149.6 secs Computing kpt #: 311 total cpu time spent up to now is 150.0 secs Computing kpt #: 312 total cpu time spent up to now is 150.5 secs Computing kpt #: 313 total cpu time spent up to now is 151.0 secs Computing kpt #: 314 total cpu time spent up to now is 151.4 secs Computing kpt #: 315 total cpu time spent up to now is 151.8 secs Computing kpt #: 316 total cpu time spent up to now is 152.3 secs Computing kpt #: 317 total cpu time spent up to now is 152.8 secs Computing kpt #: 318 total cpu time spent up to now is 153.2 secs Computing kpt #: 319 total cpu time spent up to now is 153.7 secs Computing kpt #: 320 total cpu time spent up to now is 154.2 secs Computing kpt #: 321 total cpu time spent up to now is 154.7 secs Computing kpt #: 322 total cpu time spent up to now is 155.2 secs Computing kpt #: 323 total cpu time spent up to now is 155.6 secs Computing kpt #: 324 total cpu time spent up to now is 156.2 secs Computing kpt #: 325 total cpu time spent up to now is 156.6 secs Computing kpt #: 326 total cpu time spent up to now is 157.2 secs Computing kpt #: 327 total cpu time spent up to now is 157.6 secs Computing kpt #: 328 total cpu time spent up to now is 158.1 secs Computing kpt #: 329 total cpu time spent up to now is 158.5 secs Computing kpt #: 330 total cpu time spent up to now is 159.0 secs Computing kpt #: 331 total cpu time spent up to now is 159.4 secs Computing kpt #: 332 total cpu time spent up to now is 159.9 secs Computing kpt #: 333 total cpu time spent up to now is 160.4 secs Computing kpt #: 334 total cpu time spent up to now is 160.8 secs ethr = 2.78E-08, avg # of iterations = 17.0 total cpu time spent up to now is 160.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3287 PWs) bands (ev): -71.9943 -71.9943 -40.8205 -40.8205 -36.3540 -36.3540 -36.3540 -36.3540 -9.1889 -9.1889 -9.1889 -9.1889 -8.1911 -8.1911 -8.1489 -8.1489 -8.1489 -8.1489 2.9190 2.9190 8.1781 8.1781 8.1796 8.1796 8.1796 8.1796 9.0083 9.0083 9.0083 9.0083 12.5413 12.5413 12.5413 12.5413 12.6029 12.6029 14.5017 14.5017 14.5017 14.5017 15.5784 15.5784 17.1881 17.1881 k = 0.0100-0.0058 0.0082 ( 3287 PWs) bands (ev): -71.9943 -71.9943 -40.8205 -40.8205 -36.3540 -36.3540 -36.3540 -36.3540 -9.1890 -9.1890 -9.1888 -9.1888 -8.1911 -8.1911 -8.1490 -8.1490 -8.1488 -8.1488 2.9203 2.9203 8.1770 8.1770 8.1794 8.1794 8.1820 8.1820 9.0061 9.0061 9.0117 9.0117 12.5383 12.5383 12.5405 12.5405 12.6012 12.6012 14.4926 14.4926 14.5018 14.5018 15.5827 15.5827 17.1901 17.1901 k = 0.0200-0.0115 0.0163 ( 3287 PWs) bands (ev): -71.9943 -71.9943 -40.8205 -40.8205 -36.3540 -36.3540 -36.3540 -36.3540 -9.1891 -9.1891 -9.1887 -9.1887 -8.1911 -8.1911 -8.1491 -8.1491 -8.1486 -8.1486 2.9244 2.9244 8.1731 8.1731 8.1824 8.1824 8.1861 8.1861 9.0049 9.0049 9.0163 9.0163 12.5312 12.5312 12.5357 12.5357 12.5960 12.5960 14.4656 14.4656 14.5023 14.5023 15.5958 15.5958 17.1955 17.1955 k = 0.0300-0.0173 0.0245 ( 3275 PWs) bands (ev): -71.9943 -71.9943 -40.8205 -40.8205 -36.3540 -36.3540 -36.3540 -36.3540 -9.1891 -9.1891 -9.1885 -9.1885 -8.1910 -8.1910 -8.1490 -8.1490 -8.1484 -8.1484 2.9312 2.9312 8.1670 8.1670 8.1876 8.1876 8.1924 8.1924 9.0046 9.0046 9.0224 9.0224 12.5202 12.5202 12.5273 12.5273 12.5874 12.5874 14.4218 14.4218 14.5029 14.5029 15.6174 15.6174 17.2030 17.2030 k = 0.0400-0.0231 0.0327 ( 3267 PWs) bands (ev): -71.9943 -71.9943 -40.8205 -40.8205 -36.3540 -36.3540 -36.3540 -36.3540 -9.1891 -9.1891 -9.1884 -9.1884 -8.1910 -8.1910 -8.1491 -8.1491 -8.1482 -8.1482 2.9407 2.9407 8.1586 8.1586 8.1949 8.1949 8.2010 8.2010 9.0049 9.0049 9.0299 9.0299 12.5053 12.5053 12.5152 12.5152 12.5757 12.5757 14.3622 14.3622 14.5039 14.5039 15.6476 15.6476 17.2106 17.2106 k = 0.0500-0.0289 0.0408 ( 3275 PWs) bands (ev): -71.9943 -71.9943 -40.8205 -40.8205 -36.3540 -36.3540 -36.3540 -36.3540 -9.1893 -9.1893 -9.1884 -9.1884 -8.1911 -8.1911 -8.1493 -8.1493 -8.1482 -8.1482 2.9529 2.9529 8.1480 8.1480 8.2043 8.2043 8.2118 8.2118 9.0058 9.0058 9.0387 9.0387 12.4866 12.4866 12.4995 12.4995 12.5608 12.5608 14.2886 14.2886 14.5052 14.5052 15.6861 15.6861 17.2159 17.2159 k = 0.0600-0.0346 0.0490 ( 3271 PWs) bands (ev): -71.9943 -71.9943 -40.8205 -40.8205 -36.3540 -36.3540 -36.3540 -36.3540 -9.1894 -9.1894 -9.1883 -9.1883 -8.1911 -8.1911 -8.1493 -8.1493 -8.1481 -8.1481 2.9678 2.9678 8.1353 8.1353 8.2160 8.2160 8.2249 8.2249 9.0073 9.0073 9.0492 9.0492 12.4644 12.4644 12.4805 12.4805 12.5433 12.5433 14.2030 14.2030 14.5067 14.5067 15.7327 15.7327 17.2166 17.2166 k = 0.0700-0.0404 0.0572 ( 3263 PWs) bands (ev): -71.9943 -71.9943 -40.8205 -40.8205 -36.3540 -36.3540 -36.3540 -36.3540 -9.1895 -9.1895 -9.1882 -9.1882 -8.1911 -8.1911 -8.1494 -8.1494 -8.1479 -8.1479 2.9852 2.9852 8.1205 8.1205 8.2298 8.2298 8.2403 8.2403 9.0093 9.0093 9.0612 9.0612 12.4388 12.4388 12.4582 12.4582 12.5233 12.5233 14.1072 14.1072 14.5085 14.5085 15.7870 15.7870 17.2110 17.2110 k = 0.0800-0.0462 0.0653 ( 3255 PWs) bands (ev): -71.9942 -71.9942 -40.8205 -40.8205 -36.3540 -36.3540 -36.3540 -36.3540 -9.1895 -9.1895 -9.1881 -9.1881 -8.1911 -8.1911 -8.1494 -8.1494 -8.1477 -8.1477 3.0053 3.0053 8.1039 8.1039 8.2456 8.2456 8.2578 8.2578 9.0118 9.0118 9.0745 9.0745 12.4101 12.4101 12.4328 12.4328 12.5011 12.5011 14.0033 14.0033 14.5105 14.5105 15.8484 15.8484 17.1975 17.1975 k = 0.0900-0.0520 0.0735 ( 3255 PWs) bands (ev): -71.9942 -71.9942 -40.8205 -40.8205 -36.3540 -36.3540 -36.3540 -36.3540 -9.1897 -9.1897 -9.1881 -9.1881 -8.1912 -8.1912 -8.1495 -8.1495 -8.1476 -8.1476 3.0279 3.0279 8.0854 8.0854 8.2635 8.2635 8.2774 8.2774 9.0147 9.0147 9.0892 9.0892 12.3786 12.3786 12.4043 12.4043 12.4768 12.4768 13.8930 13.8930 14.5128 14.5128 15.9165 15.9165 17.1755 17.1755 k = 0.1000-0.0577 0.0816 ( 3255 PWs) bands (ev): -71.9942 -71.9942 -40.8205 -40.8205 -36.3541 -36.3541 -36.3540 -36.3540 -9.1898 -9.1898 -9.1881 -9.1881 -8.1913 -8.1913 -8.1496 -8.1496 -8.1475 -8.1475 3.0529 3.0529 8.0652 8.0652 8.2834 8.2834 8.2991 8.2991 9.0179 9.0179 9.1051 9.1051 12.3445 12.3445 12.3731 12.3731 12.4507 12.4507 13.7781 13.7781 14.5154 14.5154 15.9907 15.9907 17.1444 17.1444 k = 0.1100-0.0635 0.0898 ( 3251 PWs) bands (ev): -71.9942 -71.9942 -40.8205 -40.8205 -36.3541 -36.3541 -36.3540 -36.3540 -9.1900 -9.1900 -9.1881 -9.1881 -8.1914 -8.1914 -8.1496 -8.1496 -8.1474 -8.1474 3.0805 3.0805 8.0436 8.0436 8.3052 8.3052 8.3229 8.3229 9.0216 9.0216 9.1220 9.1220 12.3082 12.3082 12.3392 12.3392 12.4228 12.4228 13.6603 13.6603 14.5182 14.5182 16.0704 16.0704 17.1043 17.1043 k = 0.1200-0.0693 0.0980 ( 3271 PWs) bands (ev): -71.9943 -71.9943 -40.8206 -40.8206 -36.3541 -36.3541 -36.3540 -36.3540 -9.1903 -9.1903 -9.1883 -9.1883 -8.1918 -8.1918 -8.1499 -8.1499 -8.1475 -8.1475 3.1103 3.1103 8.0205 8.0205 8.3288 8.3288 8.3487 8.3487 9.0255 9.0255 9.1398 9.1398 12.2699 12.2699 12.3030 12.3030 12.3927 12.3927 13.5413 13.5413 14.5213 14.5213 16.1550 16.1550 17.0555 17.0555 k = 0.1300-0.0751 0.1061 ( 3271 PWs) bands (ev): -71.9943 -71.9943 -40.8206 -40.8206 -36.3541 -36.3541 -36.3540 -36.3540 -9.1905 -9.1905 -9.1883 -9.1883 -8.1920 -8.1920 -8.1500 -8.1500 -8.1474 -8.1474 3.1425 3.1425 7.9963 7.9963 8.3544 8.3544 8.3764 8.3764 9.0299 9.0299 9.1585 9.1585 12.2301 12.2301 12.2647 12.2647 12.3604 12.3604 13.4227 13.4227 14.5246 14.5246 16.2437 16.2437 16.9983 16.9983 k = 0.1400-0.0808 0.1143 ( 3275 PWs) bands (ev): -71.9943 -71.9943 -40.8206 -40.8206 -36.3542 -36.3542 -36.3540 -36.3540 -9.1907 -9.1907 -9.1884 -9.1884 -8.1922 -8.1922 -8.1501 -8.1501 -8.1473 -8.1473 3.1769 3.1769 7.9710 7.9710 8.3816 8.3816 8.4060 8.4060 9.0347 9.0347 9.1779 9.1779 12.1887 12.1887 12.2247 12.2247 12.3252 12.3252 13.3063 13.3063 14.5282 14.5282 16.3358 16.3358 16.9334 16.9334 k = 0.1500-0.0866 0.1225 ( 3267 PWs) bands (ev): -71.9943 -71.9943 -40.8206 -40.8206 -36.3542 -36.3542 -36.3540 -36.3540 -9.1908 -9.1908 -9.1884 -9.1884 -8.1923 -8.1923 -8.1501 -8.1501 -8.1471 -8.1471 3.2135 3.2135 7.9449 7.9449 8.4105 8.4105 8.4373 8.4373 9.0398 9.0398 9.1979 9.1979 12.1462 12.1462 12.1831 12.1831 12.2866 12.2866 13.1939 13.1939 14.5320 14.5320 16.4304 16.4304 16.8613 16.8613 k = 0.1600-0.0924 0.1306 ( 3267 PWs) bands (ev): -71.9943 -71.9943 -40.8206 -40.8206 -36.3542 -36.3542 -36.3540 -36.3540 -9.1909 -9.1909 -9.1884 -9.1884 -8.1925 -8.1925 -8.1502 -8.1502 -8.1471 -8.1471 3.2521 3.2521 7.9179 7.9179 8.4410 8.4410 8.4704 8.4704 9.0453 9.0453 9.2182 9.2182 12.1025 12.1025 12.1401 12.1401 12.2435 12.2435 13.0874 13.0874 14.5361 14.5361 16.5263 16.5263 16.7829 16.7829 k = 0.1700-0.0981 0.1388 ( 3259 PWs) bands (ev): -71.9942 -71.9942 -40.8206 -40.8206 -36.3542 -36.3542 -36.3540 -36.3540 -9.1910 -9.1910 -9.1884 -9.1884 -8.1926 -8.1926 -8.1501 -8.1501 -8.1469 -8.1469 3.2926 3.2926 7.8904 7.8904 8.4730 8.4730 8.5050 8.5050 9.0512 9.0512 9.2388 9.2388 12.0576 12.0576 12.0960 12.0960 12.1954 12.1954 12.9890 12.9890 14.5404 14.5404 16.6213 16.6213 16.6990 16.6990 k = 0.1800-0.1039 0.1470 ( 3251 PWs) bands (ev): -71.9942 -71.9942 -40.8206 -40.8206 -36.3542 -36.3542 -36.3540 -36.3540 -9.1911 -9.1911 -9.1884 -9.1884 -8.1927 -8.1927 -8.1501 -8.1501 -8.1467 -8.1467 3.3350 3.3350 7.8625 7.8625 8.5063 8.5063 8.5411 8.5411 9.0574 9.0574 9.2594 9.2594 12.0106 12.0106 12.0509 12.0509 12.1422 12.1422 12.9004 12.9004 14.5449 14.5449 16.6091 16.6091 16.7073 16.7073 k = 0.1900-0.1097 0.1551 ( 3263 PWs) bands (ev): -71.9942 -71.9942 -40.8206 -40.8206 -36.3543 -36.3543 -36.3540 -36.3540 -9.1914 -9.1914 -9.1886 -9.1886 -8.1930 -8.1930 -8.1503 -8.1503 -8.1468 -8.1468 3.3791 3.3791 7.8342 7.8342 8.5408 8.5408 8.5784 8.5784 9.0639 9.0639 9.2798 9.2798 11.9596 11.9596 12.0050 12.0050 12.0851 12.0851 12.8230 12.8230 14.5495 14.5495 16.5159 16.5159 16.6631 16.6631 k = 0.2000-0.1155 0.1633 ( 3255 PWs) bands (ev): -71.9942 -71.9942 -40.8206 -40.8206 -36.3543 -36.3543 -36.3540 -36.3540 -9.1915 -9.1915 -9.1886 -9.1886 -8.1932 -8.1932 -8.1502 -8.1502 -8.1467 -8.1467 3.4249 3.4249 7.8059 7.8059 8.5765 8.5765 8.6169 8.6169 9.0709 9.0709 9.3000 9.3000 11.9011 11.9011 11.9594 11.9594 12.0274 12.0274 12.7575 12.7575 14.5544 14.5544 16.4190 16.4190 16.5641 16.5641 k = 0.2100-0.1212 0.1715 ( 3255 PWs) bands (ev): -71.9942 -71.9942 -40.8206 -40.8206 -36.3543 -36.3543 -36.3541 -36.3541 -9.1917 -9.1917 -9.1887 -9.1887 -8.1934 -8.1934 -8.1502 -8.1502 -8.1466 -8.1466 3.4721 3.4721 7.7775 7.7775 8.6131 8.6131 8.6563 8.6563 9.0785 9.0785 9.3198 9.3198 11.8312 11.8312 11.9151 11.9151 11.9729 11.9729 12.7036 12.7036 14.5595 14.5595 16.3190 16.3190 16.4606 16.4606 k = 0.2200-0.1270 0.1796 ( 3271 PWs) bands (ev): -71.9943 -71.9943 -40.8206 -40.8206 -36.3543 -36.3543 -36.3541 -36.3541 -9.1921 -9.1921 -9.1889 -9.1889 -8.1938 -8.1938 -8.1504 -8.1504 -8.1468 -8.1468 3.5207 3.5207 7.7492 7.7492 8.6504 8.6504 8.6962 8.6962 9.0865 9.0865 9.3389 9.3389 11.7494 11.7494 11.8728 11.8728 11.9232 11.9232 12.6603 12.6603 14.5646 14.5646 16.2165 16.2165 16.3546 16.3546 k = 0.2300-0.1328 0.1878 ( 3263 PWs) bands (ev): -71.9942 -71.9942 -40.8206 -40.8206 -36.3544 -36.3544 -36.3541 -36.3541 -9.1922 -9.1922 -9.1889 -9.1889 -8.1940 -8.1940 -8.1503 -8.1503 -8.1466 -8.1466 3.5705 3.5705 7.7213 7.7213 8.6885 8.6885 8.7367 8.7367 9.0953 9.0953 9.3573 9.3573 11.6586 11.6586 11.8327 11.8327 11.8780 11.8780 12.6262 12.6262 14.5700 14.5700 16.1122 16.1122 16.2469 16.2469 k = 0.2400-0.1386 0.1960 ( 3263 PWs) bands (ev): -71.9942 -71.9942 -40.8206 -40.8206 -36.3544 -36.3544 -36.3541 -36.3541 -9.1924 -9.1924 -9.1890 -9.1890 -8.1942 -8.1942 -8.1504 -8.1504 -8.1466 -8.1466 3.6213 3.6213 7.6938 7.6938 8.7269 8.7269 8.7772 8.7772 9.1050 9.1050 9.3749 9.3749 11.5616 11.5616 11.7946 11.7946 11.8361 11.8361 12.5999 12.5999 14.5755 14.5755 16.0064 16.0064 16.1379 16.1379 k = 0.2500-0.1443 0.2041 ( 3263 PWs) bands (ev): -71.9942 -71.9942 -40.8206 -40.8206 -36.3544 -36.3544 -36.3541 -36.3541 -9.1925 -9.1925 -9.1891 -9.1891 -8.1944 -8.1944 -8.1504 -8.1504 -8.1465 -8.1465 3.6730 3.6730 7.6669 7.6669 8.7656 8.7656 8.8173 8.8173 9.1157 9.1157 9.3916 9.3916 11.4612 11.4612 11.7584 11.7584 11.7971 11.7971 12.5802 12.5802 14.5810 14.5810 15.8995 15.8995 16.0279 16.0279 k = 0.2600-0.1501 0.2123 ( 3263 PWs) bands (ev): -71.9942 -71.9942 -40.8206 -40.8206 -36.3544 -36.3544 -36.3541 -36.3541 -9.1927 -9.1927 -9.1893 -9.1893 -8.1947 -8.1947 -8.1504 -8.1504 -8.1465 -8.1465 3.7254 3.7254 7.6406 7.6406 8.8044 8.8044 8.8564 8.8564 9.1278 9.1278 9.4072 9.4072 11.3590 11.3590 11.7243 11.7243 11.7607 11.7607 12.5659 12.5659 14.5867 14.5867 15.7920 15.7920 15.9174 15.9174 k = 0.2700-0.1559 0.2205 ( 3267 PWs) bands (ev): -71.9942 -71.9942 -40.8206 -40.8206 -36.3544 -36.3544 -36.3541 -36.3541 -9.1929 -9.1929 -9.1894 -9.1894 -8.1949 -8.1949 -8.1505 -8.1505 -8.1464 -8.1464 3.7783 3.7783 7.6151 7.6151 8.8429 8.8429 8.8940 8.8940 9.1419 9.1419 9.4217 9.4217 11.2564 11.2564 11.6922 11.6922 11.7271 11.7271 12.5564 12.5564 14.5924 14.5924 15.6843 15.6843 15.8066 15.8066 k = 0.2800-0.1617 0.2286 ( 3267 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3545 -36.3545 -36.3541 -36.3541 -9.1930 -9.1930 -9.1896 -9.1896 -8.1951 -8.1951 -8.1506 -8.1506 -8.1463 -8.1463 3.8315 3.8315 7.5905 7.5905 8.8809 8.8809 8.9291 8.9291 9.1583 9.1583 9.4352 9.4352 11.1544 11.1544 11.6623 11.6623 11.6962 11.6962 12.5508 12.5508 14.5982 14.5982 15.5767 15.5767 15.6959 15.6959 k = 0.2900-0.1674 0.2368 ( 3267 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3545 -36.3545 -36.3541 -36.3541 -9.1932 -9.1932 -9.1897 -9.1897 -8.1954 -8.1954 -8.1507 -8.1507 -8.1463 -8.1463 3.8849 3.8849 7.5668 7.5668 8.9183 8.9183 8.9611 8.9611 9.1777 9.1777 9.4476 9.4476 11.0537 11.0537 11.6346 11.6346 11.6684 11.6684 12.5487 12.5487 14.6039 14.6039 15.4696 15.4696 15.5857 15.5857 k = 0.3000-0.1732 0.2449 ( 3267 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3545 -36.3545 -36.3541 -36.3541 -9.1933 -9.1933 -9.1899 -9.1899 -8.1956 -8.1956 -8.1507 -8.1507 -8.1462 -8.1462 3.9382 3.9382 7.5443 7.5443 8.9545 8.9545 8.9894 8.9894 9.2005 9.2005 9.4591 9.4591 10.9547 10.9547 11.6091 11.6091 11.6438 11.6438 12.5496 12.5496 14.6096 14.6096 15.3633 15.3633 15.4761 15.4761 k = 0.3100-0.1790 0.2531 ( 3274 PWs) bands (ev): -71.9943 -71.9943 -40.8207 -40.8207 -36.3545 -36.3545 -36.3541 -36.3541 -9.1936 -9.1936 -9.1900 -9.1900 -8.1959 -8.1959 -8.1507 -8.1507 -8.1463 -8.1463 3.9911 3.9911 7.5230 7.5230 8.9892 8.9892 9.0137 9.0137 9.2266 9.2266 9.4696 9.4696 10.8580 10.8580 11.5860 11.5860 11.6225 11.6225 12.5530 12.5530 14.6152 14.6152 15.2581 15.2581 15.3676 15.3676 k = 0.3200-0.1848 0.2613 ( 3274 PWs) bands (ev): -71.9943 -71.9943 -40.8207 -40.8207 -36.3545 -36.3545 -36.3541 -36.3541 -9.1937 -9.1937 -9.1902 -9.1902 -8.1961 -8.1961 -8.1508 -8.1508 -8.1463 -8.1463 4.0435 4.0435 7.5028 7.5028 9.0207 9.0207 9.0358 9.0358 9.2557 9.2557 9.4795 9.4795 10.7638 10.7638 11.5655 11.5655 11.6046 11.6046 12.5588 12.5588 14.6206 14.6206 15.1543 15.1543 15.2606 15.2606 k = 0.3300-0.1905 0.2694 ( 3270 PWs) bands (ev): -71.9943 -71.9943 -40.8207 -40.8207 -36.3545 -36.3545 -36.3541 -36.3541 -9.1938 -9.1938 -9.1902 -9.1902 -8.1963 -8.1963 -8.1507 -8.1507 -8.1462 -8.1462 4.0951 4.0951 7.4840 7.4840 9.0438 9.0438 9.0609 9.0609 9.2870 9.2870 9.4889 9.4889 10.6725 10.6725 11.5475 11.5475 11.5901 11.5901 12.5666 12.5666 14.6259 14.6259 15.0524 15.0524 15.1553 15.1553 k = 0.3400-0.1963 0.2776 ( 3270 PWs) bands (ev): -71.9943 -71.9943 -40.8207 -40.8207 -36.3545 -36.3545 -36.3542 -36.3542 -9.1939 -9.1939 -9.1904 -9.1904 -8.1965 -8.1965 -8.1508 -8.1508 -8.1461 -8.1461 4.1457 4.1457 7.4666 7.4666 9.0589 9.0589 9.0892 9.0892 9.3193 9.3193 9.4981 9.4981 10.5842 10.5842 11.5324 11.5324 11.5791 11.5791 12.5760 12.5760 14.6307 14.6307 14.9527 14.9527 15.0521 15.0521 k = 0.3500-0.2021 0.2858 ( 3258 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3545 -36.3545 -36.3542 -36.3542 -9.1940 -9.1940 -9.1903 -9.1903 -8.1966 -8.1966 -8.1505 -8.1505 -8.1461 -8.1461 4.1950 4.1950 7.4505 7.4505 9.0704 9.0704 9.1167 9.1167 9.3517 9.3517 9.5073 9.5073 10.4991 10.4991 11.5200 11.5200 11.5715 11.5715 12.5867 12.5867 14.6350 14.6350 14.8557 14.8557 14.9518 14.9518 k = 0.3600-0.2078 0.2939 ( 3266 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3545 -36.3545 -36.3542 -36.3542 -9.1942 -9.1942 -9.1905 -9.1905 -8.1969 -8.1969 -8.1506 -8.1506 -8.1461 -8.1461 4.2427 4.2427 7.4358 7.4358 9.0798 9.0798 9.1420 9.1420 9.3834 9.3834 9.5168 9.5168 10.4173 10.4173 11.5105 11.5105 11.5670 11.5670 12.5985 12.5985 14.6377 14.6377 14.7619 14.7619 14.8550 14.8550 k = 0.3700-0.2136 0.3021 ( 3266 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3545 -36.3545 -36.3542 -36.3542 -9.1943 -9.1943 -9.1906 -9.1906 -8.1971 -8.1971 -8.1506 -8.1506 -8.1461 -8.1461 4.2886 4.2886 7.4225 7.4225 9.0877 9.0877 9.1649 9.1649 9.4136 9.4136 9.5270 9.5270 10.3391 10.3391 11.5039 11.5039 11.5657 11.5657 12.6112 12.6112 14.6343 14.6343 14.6742 14.6742 14.7645 14.7645 k = 0.3800-0.2194 0.3103 ( 3274 PWs) bands (ev): -71.9943 -71.9943 -40.8207 -40.8207 -36.3545 -36.3545 -36.3542 -36.3542 -9.1945 -9.1945 -9.1909 -9.1909 -8.1973 -8.1973 -8.1509 -8.1509 -8.1461 -8.1461 4.3324 4.3324 7.4106 7.4106 9.0945 9.0945 9.1854 9.1854 9.4416 9.4416 9.5382 9.5382 10.2646 10.2646 11.5000 11.5000 11.5673 11.5673 12.6243 12.6243 14.5787 14.5787 14.6254 14.6254 14.6942 14.6942 k = 0.3900-0.2252 0.3184 ( 3278 PWs) bands (ev): -71.9943 -71.9943 -40.8207 -40.8207 -36.3546 -36.3546 -36.3542 -36.3542 -9.1946 -9.1946 -9.1910 -9.1910 -8.1975 -8.1975 -8.1509 -8.1509 -8.1461 -8.1461 4.3738 4.3738 7.4001 7.4001 9.1003 9.1003 9.2034 9.2034 9.4667 9.4667 9.5508 9.5508 10.1938 10.1938 11.4988 11.4988 11.5714 11.5714 12.6376 12.6376 14.4974 14.4974 14.5613 14.5613 14.6731 14.6731 k = 0.4000-0.2309 0.3266 ( 3262 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3545 -36.3545 -36.3542 -36.3542 -9.1945 -9.1945 -9.1909 -9.1909 -8.1975 -8.1975 -8.1508 -8.1508 -8.1459 -8.1459 4.4127 4.4127 7.3909 7.3909 9.1054 9.1054 9.2192 9.2192 9.4889 9.4889 9.5648 9.5648 10.1271 10.1271 11.4999 11.4999 11.5778 11.5778 12.6510 12.6510 14.4195 14.4195 14.4832 14.4832 14.6715 14.6715 k = 0.4100-0.2367 0.3348 ( 3270 PWs) bands (ev): -71.9943 -71.9943 -40.8207 -40.8207 -36.3546 -36.3546 -36.3542 -36.3542 -9.1947 -9.1947 -9.1911 -9.1911 -8.1977 -8.1977 -8.1509 -8.1509 -8.1460 -8.1460 4.4487 4.4487 7.3830 7.3830 9.1099 9.1099 9.2327 9.2327 9.5080 9.5080 9.5797 9.5797 10.0645 10.0645 11.5031 11.5031 11.5861 11.5861 12.6640 12.6640 14.3466 14.3466 14.4066 14.4066 14.6733 14.6733 k = 0.4200-0.2425 0.3429 ( 3278 PWs) bands (ev): -71.9943 -71.9943 -40.8207 -40.8207 -36.3546 -36.3546 -36.3542 -36.3542 -9.1948 -9.1948 -9.1913 -9.1913 -8.1979 -8.1979 -8.1510 -8.1510 -8.1460 -8.1460 4.4817 4.4817 7.3762 7.3762 9.1138 9.1138 9.2442 9.2442 9.5247 9.5247 9.5949 9.5949 10.0063 10.0063 11.5079 11.5079 11.5956 11.5956 12.6764 12.6764 14.2795 14.2795 14.3346 14.3346 14.6758 14.6758 k = 0.4300-0.2483 0.3511 ( 3278 PWs) bands (ev): -71.9943 -71.9943 -40.8207 -40.8207 -36.3546 -36.3546 -36.3542 -36.3542 -9.1949 -9.1949 -9.1914 -9.1914 -8.1980 -8.1980 -8.1511 -8.1511 -8.1460 -8.1460 4.5113 4.5113 7.3706 7.3706 9.1173 9.1173 9.2540 9.2540 9.5395 9.5395 9.6095 9.6095 9.9526 9.9526 11.5139 11.5139 11.6061 11.6061 12.6881 12.6881 14.2187 14.2187 14.2683 14.2683 14.6784 14.6784 k = 0.4400-0.2540 0.3593 ( 3278 PWs) bands (ev): -71.9943 -71.9943 -40.8207 -40.8207 -36.3546 -36.3546 -36.3542 -36.3542 -9.1949 -9.1949 -9.1915 -9.1915 -8.1981 -8.1981 -8.1511 -8.1511 -8.1459 -8.1459 4.5374 4.5374 7.3660 7.3660 9.1203 9.1203 9.2623 9.2623 9.5533 9.5533 9.6227 9.6227 9.9038 9.9038 11.5207 11.5207 11.6167 11.6167 12.6986 12.6986 14.1650 14.1650 14.2085 14.2085 14.6809 14.6809 k = 0.4500-0.2598 0.3674 ( 3286 PWs) bands (ev): -71.9943 -71.9943 -40.8207 -40.8207 -36.3546 -36.3546 -36.3542 -36.3542 -9.1951 -9.1951 -9.1916 -9.1916 -8.1982 -8.1982 -8.1512 -8.1512 -8.1461 -8.1461 4.5599 4.5599 7.3623 7.3623 9.1229 9.1229 9.2692 9.2692 9.5665 9.5665 9.6338 9.6338 9.8603 9.8603 11.5277 11.5277 11.6271 11.6271 12.7080 12.7080 14.1189 14.1189 14.1559 14.1559 14.6831 14.6831 k = 0.4600-0.2656 0.3756 ( 3286 PWs) bands (ev): -71.9943 -71.9943 -40.8207 -40.8207 -36.3546 -36.3546 -36.3542 -36.3542 -9.1951 -9.1951 -9.1916 -9.1916 -8.1983 -8.1983 -8.1512 -8.1512 -8.1461 -8.1461 4.5785 4.5785 7.3594 7.3594 9.1251 9.1251 9.2749 9.2749 9.5795 9.5795 9.6421 9.6421 9.8225 9.8225 11.5343 11.5343 11.6365 11.6365 12.7159 12.7159 14.0810 14.0810 14.1111 14.1111 14.6850 14.6850 k = 0.4700-0.2714 0.3838 ( 3278 PWs) bands (ev): -71.9943 -71.9943 -40.8207 -40.8207 -36.3546 -36.3546 -36.3542 -36.3542 -9.1951 -9.1951 -9.1916 -9.1916 -8.1983 -8.1983 -8.1511 -8.1511 -8.1459 -8.1459 4.5931 4.5931 7.3573 7.3573 9.1269 9.1269 9.2794 9.2794 9.5925 9.5925 9.6470 9.6470 9.7914 9.7914 11.5401 11.5401 11.6445 11.6445 12.7222 12.7222 14.0518 14.0518 14.0747 14.0747 14.6865 14.6865 k = 0.4800-0.2771 0.3919 ( 3278 PWs) bands (ev): -71.9943 -71.9943 -40.8207 -40.8207 -36.3546 -36.3546 -36.3542 -36.3542 -9.1951 -9.1951 -9.1916 -9.1916 -8.1983 -8.1983 -8.1511 -8.1511 -8.1459 -8.1459 4.6036 4.6036 7.3558 7.3558 9.1282 9.1282 9.2826 9.2826 9.6055 9.6055 9.6476 9.6476 9.7680 9.7680 11.5446 11.5446 11.6506 11.6506 12.7268 12.7268 14.0317 14.0317 14.0472 14.0472 14.6876 14.6876 k = 0.4900-0.2829 0.4001 ( 3274 PWs) bands (ev): -71.9943 -71.9943 -40.8207 -40.8207 -36.3546 -36.3546 -36.3542 -36.3542 -9.1951 -9.1951 -9.1916 -9.1916 -8.1984 -8.1984 -8.1510 -8.1510 -8.1459 -8.1459 4.6099 4.6099 7.3550 7.3550 9.1290 9.1290 9.2846 9.2846 9.6178 9.6178 9.6438 9.6438 9.7536 9.7536 11.5474 11.5474 11.6544 11.6544 12.7296 12.7296 14.0211 14.0211 14.0290 14.0290 14.6883 14.6883 k = 0.5000-0.2887 0.4082 ( 3282 PWs) bands (ev): -71.9943 -71.9943 -40.8207 -40.8207 -36.3546 -36.3546 -36.3542 -36.3542 -9.1952 -9.1952 -9.1916 -9.1916 -8.1985 -8.1985 -8.1511 -8.1511 -8.1460 -8.1460 4.6120 4.6120 7.3547 7.3547 9.1293 9.1293 9.2853 9.2853 9.6247 9.6247 9.6396 9.6396 9.7487 9.7487 11.5484 11.5484 11.6557 11.6557 12.7305 12.7305 14.0193 14.0193 14.0211 14.0211 14.6885 14.6885 k = 0.5000-0.2887 0.4082 ( 3282 PWs) bands (ev): -71.9943 -71.9943 -40.8207 -40.8207 -36.3546 -36.3546 -36.3542 -36.3542 -9.1952 -9.1952 -9.1916 -9.1916 -8.1985 -8.1985 -8.1511 -8.1511 -8.1460 -8.1460 4.6120 4.6120 7.3547 7.3547 9.1293 9.1293 9.2853 9.2853 9.6247 9.6247 9.6396 9.6396 9.7487 9.7487 11.5484 11.5484 11.6557 11.6557 12.7305 12.7305 14.0193 14.0193 14.0211 14.0211 14.6885 14.6885 k = 0.5000-0.2771 0.4164 ( 3270 PWs) bands (ev): -71.9943 -71.9943 -40.8207 -40.8207 -36.3546 -36.3546 -36.3542 -36.3542 -9.1951 -9.1950 -9.1917 -9.1914 -8.1984 -8.1983 -8.1512 -8.1508 -8.1459 -8.1457 4.6114 4.6127 7.3560 7.3573 9.1257 9.1337 9.2730 9.2953 9.6033 9.6142 9.6493 9.6587 9.7317 9.7706 11.5436 11.5480 11.6497 11.6560 12.7300 12.7318 14.0066 14.0159 14.0205 14.0238 14.6910 14.6968 k = 0.5000-0.2656 0.4246 ( 3270 PWs) bands (ev): -71.9943 -71.9943 -40.8207 -40.8207 -36.3546 -36.3545 -36.3542 -36.3542 -9.1951 -9.1950 -9.1919 -9.1912 -8.1985 -8.1982 -8.1513 -8.1506 -8.1460 -8.1456 4.6110 4.6135 7.3611 7.3636 9.1227 9.1389 9.2584 9.3027 9.5806 9.5903 9.6636 9.6774 9.7250 9.7953 11.5338 11.5427 11.6381 11.6506 12.7302 12.7336 13.9793 13.9963 14.0225 14.0297 14.7026 14.7128 k = 0.5000-0.2540 0.4327 ( 3270 PWs) bands (ev): -71.9943 -71.9943 -40.8207 -40.8207 -36.3546 -36.3545 -36.3542 -36.3542 -9.1951 -9.1949 -9.1920 -9.1910 -8.1986 -8.1981 -8.1515 -8.1504 -8.1461 -8.1455 4.6107 4.6145 7.3699 7.3738 9.1201 9.1448 9.2417 9.3075 9.5587 9.5641 9.6639 9.6945 9.7361 9.8222 11.5189 11.5324 11.6209 11.6396 12.7309 12.7359 13.9412 13.9647 14.0271 14.0381 14.7178 14.7303 k = 0.5000-0.2425 0.4409 ( 3270 PWs) bands (ev): -71.9943 -71.9943 -40.8207 -40.8207 -36.3546 -36.3545 -36.3542 -36.3542 -9.1951 -9.1949 -9.1922 -9.1909 -8.1986 -8.1981 -8.1517 -8.1502 -8.1463 -8.1455 4.6105 4.6156 7.3826 7.3877 9.1178 9.1516 9.2231 9.3096 9.5358 9.5379 9.6554 9.7101 9.7596 9.8510 11.4990 11.5174 11.5985 11.6235 12.7322 12.7388 13.8964 13.9255 14.0343 14.0488 14.7316 14.7445 k = 0.5000-0.2309 0.4491 ( 3270 PWs) bands (ev): -71.9943 -71.9943 -40.8207 -40.8207 -36.3546 -36.3545 -36.3542 -36.3542 -9.1952 -9.1949 -9.1923 -9.1907 -8.1987 -8.1980 -8.1518 -8.1500 -8.1464 -8.1454 4.6104 4.6167 7.3989 7.4055 9.1156 9.1592 9.2026 9.3091 9.5055 9.5186 9.6456 9.7241 9.7881 9.8814 11.4741 11.4976 11.5715 11.6025 12.7341 12.7421 13.8485 13.8822 14.0437 14.0616 14.7413 14.7536 k = 0.5000-0.2194 0.4572 ( 3270 PWs) bands (ev): -71.9943 -71.9943 -40.8207 -40.8207 -36.3546 -36.3545 -36.3542 -36.3542 -9.1952 -9.1949 -9.1925 -9.1905 -8.1987 -8.1979 -8.1520 -8.1498 -8.1465 -8.1453 4.6105 4.6180 7.4189 7.4269 9.1131 9.1674 9.1805 9.3060 9.4731 9.5009 9.6368 9.7368 9.8191 9.9132 11.4444 11.4733 11.5403 11.5771 12.7364 12.7457 13.7998 13.8376 14.0551 14.0762 14.7470 14.7584 k = 0.5000-0.2078 0.4654 ( 3274 PWs) bands (ev): -71.9943 -71.9943 -40.8207 -40.8207 -36.3546 -36.3545 -36.3542 -36.3542 -9.1953 -9.1949 -9.1927 -9.1904 -8.1988 -8.1979 -8.1522 -8.1497 -8.1466 -8.1453 4.6107 4.6194 7.4425 7.4519 9.1099 9.1568 9.1760 9.3007 9.4387 9.4853 9.6296 9.7481 9.8518 9.9463 11.4102 11.4443 11.5058 11.5479 12.7390 12.7496 13.7521 13.7936 14.0683 14.0924 14.7495 14.7600 k = 0.5000-0.1963 0.4736 ( 3270 PWs) bands (ev): -71.9943 -71.9943 -40.8207 -40.8207 -36.3546 -36.3545 -36.3543 -36.3542 -9.1954 -9.1948 -9.1927 -9.1902 -8.1988 -8.1978 -8.1524 -8.1495 -8.1466 -8.1452 4.6109 4.6208 7.4696 7.4806 9.1048 9.1326 9.1848 9.2937 9.4027 9.4719 9.6240 9.7582 9.8858 9.9806 11.3718 11.4108 11.4687 11.5154 12.7420 12.7537 13.7064 13.7514 14.0829 14.1099 14.7498 14.7595 k = 0.5000-0.1848 0.4817 ( 3262 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3545 -36.3543 -36.3542 -9.1953 -9.1947 -9.1927 -9.1900 -8.1988 -8.1976 -8.1524 -8.1492 -8.1467 -8.1451 4.6113 4.6223 7.5001 7.5127 9.0917 9.1135 9.1927 9.2854 9.3657 9.4611 9.6200 9.7672 9.9210 10.0160 11.3296 11.3730 11.4300 11.4801 12.7452 12.7580 13.6636 13.7117 14.0987 14.1283 14.7484 14.7575 k = 0.5000-0.1732 0.4899 ( 3268 PWs) bands (ev): -71.9943 -71.9943 -40.8207 -40.8207 -36.3546 -36.3545 -36.3543 -36.3543 -9.1955 -9.1947 -9.1929 -9.1899 -8.1989 -8.1976 -8.1526 -8.1491 -8.1469 -8.1451 4.6117 4.6238 7.5339 7.5483 9.0655 9.1043 9.1975 9.2765 9.3294 9.4528 9.6172 9.7752 9.9570 10.0522 11.2842 11.3311 11.3901 11.4424 12.7485 12.7622 13.6240 13.6750 14.1154 14.1473 14.7458 14.7545 k = 0.5000-0.1617 0.4981 ( 3268 PWs) bands (ev): -71.9943 -71.9943 -40.8207 -40.8207 -36.3546 -36.3545 -36.3543 -36.3543 -9.1955 -9.1947 -9.1929 -9.1898 -8.1990 -8.1975 -8.1527 -8.1489 -8.1470 -8.1451 4.6122 4.6253 7.5710 7.5871 9.0337 9.0976 9.1942 9.2681 9.2983 9.4475 9.6153 9.7822 9.9940 10.0894 11.2364 11.2862 11.3495 11.4027 12.7518 12.7665 13.5879 13.6416 14.1325 14.1667 14.7424 14.7508 k = 0.5000-0.1501 0.5062 ( 3272 PWs) bands (ev): -71.9943 -71.9943 -40.8207 -40.8207 -36.3546 -36.3545 -36.3543 -36.3543 -9.1957 -9.1948 -9.1930 -9.1897 -8.1991 -8.1975 -8.1529 -8.1487 -8.1471 -8.1452 4.6128 4.6268 7.6111 7.6292 8.9985 9.0908 9.1748 9.2584 9.2821 9.4450 9.6142 9.7884 10.0317 10.1274 11.1868 11.2390 11.3080 11.3614 12.7551 12.7707 13.5551 13.6113 14.1499 14.1860 14.7385 14.7466 k = 0.5000-0.1386 0.5144 ( 3272 PWs) bands (ev): -71.9943 -71.9943 -40.8207 -40.8207 -36.3546 -36.3545 -36.3543 -36.3543 -9.1958 -9.1948 -9.1931 -9.1896 -8.1991 -8.1975 -8.1530 -8.1485 -8.1472 -8.1452 4.6133 4.6283 7.6541 7.6743 8.9605 9.0835 9.1390 9.2454 9.2837 9.4451 9.6136 9.7939 10.0701 10.1661 11.1363 11.1908 11.2659 11.3188 12.7584 12.7748 13.5258 13.5843 14.1671 14.2051 14.7342 14.7421 k = 0.5000-0.1270 0.5226 ( 3264 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3545 -36.3543 -36.3543 -9.1958 -9.1946 -9.1930 -9.1894 -8.1990 -8.1973 -8.1530 -8.1482 -8.1472 -8.1452 4.6140 4.6298 7.6999 7.7223 8.9198 9.0759 9.0933 9.2332 9.2928 9.4477 9.6134 9.7986 10.1091 10.2054 11.0857 11.1424 11.2233 11.2751 12.7616 12.7789 13.4998 13.5604 14.1840 14.2236 14.7297 14.7375 k = 0.5000-0.1155 0.5307 ( 3268 PWs) bands (ev): -71.9943 -71.9943 -40.8207 -40.8207 -36.3546 -36.3545 -36.3543 -36.3543 -9.1959 -9.1947 -9.1932 -9.1893 -8.1991 -8.1973 -8.1531 -8.1481 -8.1474 -8.1452 4.6146 4.6312 7.7483 7.7730 8.8764 9.0421 9.0680 9.2219 9.3044 9.4523 9.6133 9.8027 10.1484 10.2451 11.0360 11.0948 11.1802 11.2306 12.7646 12.7826 13.4768 13.5393 14.2002 14.2412 14.7251 14.7329 k = 0.5000-0.1039 0.5389 ( 3260 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3545 -36.3543 -36.3543 -9.1958 -9.1946 -9.1932 -9.1891 -8.1990 -8.1971 -8.1531 -8.1479 -8.1475 -8.1452 4.6152 4.6326 7.7991 7.8262 8.8304 8.9872 9.0602 9.2115 9.3173 9.4587 9.6134 9.8063 10.1879 10.2852 10.9881 11.0488 11.1371 11.1856 12.7675 12.7862 13.4568 13.5210 14.2155 14.2579 14.7207 14.7285 k = 0.5000-0.0924 0.5471 ( 3252 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3545 -36.3544 -36.3543 -9.1958 -9.1944 -9.1930 -9.1889 -8.1990 -8.1970 -8.1532 -8.1476 -8.1474 -8.1452 4.6158 4.6338 7.8520 7.8818 8.7818 8.9296 9.0527 9.2021 9.3306 9.4662 9.6133 9.8093 10.2275 10.3254 10.9428 11.0051 11.0943 11.1403 12.7701 12.7895 13.4395 13.5052 14.2297 14.2733 14.7164 14.7242 k = 0.5000-0.0808 0.5552 ( 3258 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3545 -36.3544 -36.3543 -9.1959 -9.1945 -9.1931 -9.1889 -8.1991 -8.1970 -8.1533 -8.1476 -8.1475 -8.1453 4.6163 4.6350 7.9069 7.9394 8.7309 8.8699 9.0455 9.1935 9.3435 9.4744 9.6132 9.8118 10.2667 10.3653 10.9011 10.9642 11.0523 11.0949 12.7725 12.7925 13.4247 13.4917 14.2427 14.2872 14.7124 14.7202 k = 0.5000-0.0693 0.5634 ( 3258 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3545 -36.3545 -36.3544 -36.3544 -9.1960 -9.1945 -9.1932 -9.1888 -8.1991 -8.1970 -8.1533 -8.1477 -8.1473 -8.1454 4.6168 4.6360 7.9636 7.9987 8.6778 8.8086 9.0390 9.1859 9.3559 9.4828 9.6130 9.8139 10.3052 10.4046 10.8639 10.9268 11.0117 11.0499 12.7746 12.7952 13.4123 13.4804 14.2542 14.2996 14.7088 14.7166 k = 0.5000-0.0577 0.5715 ( 3252 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3545 -36.3545 -36.3544 -36.3544 -9.1960 -9.1945 -9.1931 -9.1887 -8.1990 -8.1969 -8.1533 -8.1477 -8.1471 -8.1454 4.6173 4.6369 8.0216 8.0594 8.6228 8.7461 9.0333 9.1794 9.3672 9.4910 9.6127 9.8156 10.3423 10.4426 10.8324 10.8932 10.9736 11.0057 12.7764 12.7975 13.4021 13.4711 14.2642 14.3103 14.7056 14.7135 k = 0.5000-0.0462 0.5797 ( 3256 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3545 -36.3544 -36.3544 -36.3544 -9.1960 -9.1945 -9.1932 -9.1887 -8.1991 -8.1969 -8.1534 -8.1478 -8.1470 -8.1455 4.6176 4.6377 8.0809 8.1208 8.5661 8.6831 9.0285 9.1740 9.3770 9.4985 9.6123 9.8169 10.3770 10.4781 10.8076 10.8638 10.9390 10.9628 12.7779 12.7994 13.3939 13.4637 14.2725 14.3192 14.7029 14.7109 k = 0.5000-0.0346 0.5879 ( 3258 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3545 -36.3544 -36.3544 -36.3544 -9.1961 -9.1945 -9.1933 -9.1886 -8.1991 -8.1969 -8.1534 -8.1479 -8.1469 -8.1456 4.6180 4.6383 8.1409 8.1820 8.5080 8.6206 9.0246 9.1697 9.3851 9.5048 9.6119 9.8179 10.4080 10.5095 10.7911 10.8388 10.9097 10.9221 12.7791 12.8009 13.3877 13.4581 14.2790 14.3263 14.7007 14.7088 k = 0.5000-0.0231 0.5960 ( 3258 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3545 -36.3544 -36.3544 -36.3544 -9.1961 -9.1945 -9.1933 -9.1886 -8.1991 -8.1969 -8.1534 -8.1479 -8.1469 -8.1456 4.6182 4.6387 8.2013 8.2409 8.4490 8.5608 9.0218 9.1666 9.3912 9.5096 9.6116 9.8186 10.4333 10.5347 10.7839 10.8189 10.8853 10.8874 12.7799 12.8020 13.3833 13.4541 14.2837 14.3313 14.6991 14.7072 k = 0.5000-0.0115 0.6042 ( 3258 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3545 -36.3544 -36.3544 -36.3544 -9.1961 -9.1945 -9.1933 -9.1886 -8.1991 -8.1968 -8.1534 -8.1479 -8.1468 -8.1456 4.6183 4.6389 8.2609 8.2914 8.3903 8.5098 9.0201 9.1648 9.3949 9.5127 9.6113 9.8190 10.4502 10.5511 10.7855 10.8055 10.8559 10.8735 12.7804 12.8027 13.3807 13.4517 14.2865 14.3344 14.6982 14.7063 k = 0.5000 0.0000 0.6124 ( 3248 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3545 -36.3544 -36.3544 -36.3544 -9.1960 -9.1944 -9.1932 -9.1885 -8.1990 -8.1967 -8.1534 -8.1479 -8.1467 -8.1455 4.6184 4.6390 8.3048 8.3148 8.3467 8.4862 9.0196 9.1642 9.3962 9.5137 9.6113 9.8192 10.4562 10.5568 10.7890 10.8008 10.8429 10.8688 12.7806 12.8029 13.3799 13.4509 14.2875 14.3354 14.6978 14.7060 k = 0.5000 0.0000 0.6124 ( 3248 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3545 -36.3544 -36.3544 -36.3544 -9.1960 -9.1944 -9.1932 -9.1885 -8.1990 -8.1967 -8.1534 -8.1479 -8.1467 -8.1455 4.6184 4.6390 8.3048 8.3148 8.3467 8.4862 9.0196 9.1642 9.3962 9.5137 9.6113 9.8192 10.4562 10.5568 10.7890 10.8008 10.8429 10.8688 12.7806 12.8029 13.3799 13.4509 14.2875 14.3354 14.6978 14.7060 k = 0.4931 0.0120 0.6124 ( 3256 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3545 -36.3544 -36.3544 -36.3544 -9.1961 -9.1945 -9.1932 -9.1886 -8.1991 -8.1968 -8.1534 -8.1479 -8.1468 -8.1456 4.6179 4.6386 8.2789 8.3032 8.3729 8.4981 9.0202 9.1648 9.3956 9.5132 9.6111 9.8182 10.4520 10.5541 10.7721 10.7918 10.8647 10.8829 12.7809 12.8033 13.3803 13.4515 14.2851 14.3327 14.7004 14.7107 k = 0.4861 0.0241 0.6124 ( 3256 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3545 -36.3544 -36.3544 -36.3544 -9.1961 -9.1945 -9.1932 -9.1886 -8.1991 -8.1968 -8.1534 -8.1479 -8.1468 -8.1456 4.6167 4.6373 8.2406 8.2758 8.4123 8.5268 9.0218 9.1667 9.3938 9.5117 9.6103 9.8152 10.4418 10.5460 10.7507 10.7677 10.9046 10.9166 12.7819 12.8043 13.3816 13.4530 14.2776 14.3243 14.7094 14.7242 k = 0.4792 0.0361 0.6124 ( 3256 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3545 -36.3544 -36.3544 -36.3544 -9.1961 -9.1945 -9.1932 -9.1886 -8.1991 -8.1968 -8.1534 -8.1480 -8.1468 -8.1456 4.6149 4.6354 8.2025 8.2419 8.4524 8.5630 9.0243 9.1697 9.3909 9.5092 9.6088 9.8099 10.4283 10.5331 10.7305 10.7446 10.9447 10.9622 12.7835 12.8060 13.3838 13.4555 14.2650 14.3105 14.7258 14.7454 k = 0.4722 0.0481 0.6124 ( 3259 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3545 -36.3544 -36.3544 -36.3544 -9.1962 -9.1945 -9.1931 -9.1887 -8.1991 -8.1969 -8.1534 -8.1480 -8.1469 -8.1455 4.6126 4.6329 8.1656 8.2062 8.4921 8.6022 9.0275 9.1735 9.3871 9.5057 9.6065 9.8022 10.4131 10.5165 10.7108 10.7269 10.9869 11.0109 12.7857 12.8084 13.3867 13.4586 14.2482 14.2923 14.7495 14.7732 k = 0.4653 0.0601 0.6124 ( 3256 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3545 -36.3544 -36.3544 -36.3544 -9.1962 -9.1945 -9.1930 -9.1887 -8.1990 -8.1968 -8.1533 -8.1480 -8.1469 -8.1454 4.6099 4.6300 8.1305 8.1707 8.5311 8.6424 9.0313 9.1782 9.3826 9.5013 9.6031 9.7920 10.3974 10.4975 10.6918 10.7147 11.0309 11.0596 12.7884 12.8114 13.3902 13.4623 14.2282 14.2709 14.7795 14.8066 k = 0.4583 0.0722 0.6124 ( 3259 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3545 -36.3545 -36.3544 -36.3544 -9.1962 -9.1946 -9.1929 -9.1888 -8.1990 -8.1969 -8.1533 -8.1481 -8.1470 -8.1454 4.6069 4.6268 8.0974 8.1364 8.5692 8.6826 9.0356 9.1834 9.3774 9.4959 9.5987 9.7791 10.3818 10.4773 10.6751 10.7063 11.0755 11.1073 12.7916 12.8151 13.3943 13.4661 14.2062 14.2474 14.8151 14.8447 k = 0.4514 0.0842 0.6124 ( 3251 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3545 -36.3544 -36.3544 -9.1962 -9.1945 -9.1927 -9.1887 -8.1989 -8.1968 -8.1532 -8.1481 -8.1470 -8.1452 4.6037 4.6234 8.0664 8.1039 8.6064 8.7222 9.0403 9.1892 9.3717 9.4896 9.5933 9.7638 10.3671 10.4569 10.6611 10.7006 11.1196 11.1533 12.7953 12.8194 13.3986 13.4698 14.1833 14.2229 14.8554 14.8868 k = 0.4444 0.0962 0.6124 ( 3251 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3545 -36.3544 -36.3544 -9.1962 -9.1945 -9.1925 -9.1888 -8.1989 -8.1968 -8.1531 -8.1482 -8.1470 -8.1451 4.6005 4.6200 8.0378 8.0735 8.6424 8.7609 9.0453 9.1953 9.3655 9.4823 9.5869 9.7463 10.3534 10.4369 10.6499 10.6968 11.1625 11.1969 12.7994 12.8240 13.4029 13.4732 14.1605 14.1983 14.8996 14.9321 k = 0.4375 0.1083 0.6124 ( 3255 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3545 -36.3544 -36.3543 -9.1962 -9.1946 -9.1924 -9.1890 -8.1989 -8.1969 -8.1531 -8.1483 -8.1471 -8.1451 4.5973 4.6165 8.0116 8.0455 8.6773 8.7981 9.0506 9.2017 9.3589 9.4740 9.5797 9.7270 10.3411 10.4180 10.6411 10.6944 11.2035 11.2377 12.8039 12.8290 13.4071 13.4759 14.1386 14.1744 14.9470 14.9801 k = 0.4306 0.1203 0.6124 ( 3255 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3545 -36.3544 -36.3543 -9.1963 -9.1946 -9.1922 -9.1890 -8.1989 -8.1969 -8.1530 -8.1483 -8.1472 -8.1450 4.5942 4.6132 7.9879 8.0200 8.7107 8.8334 9.0564 9.2083 9.3519 9.4645 9.5720 9.7066 10.3303 10.4004 10.6345 10.6930 11.2419 11.2753 12.8088 12.8342 13.4110 13.4778 14.1182 14.1517 14.9972 15.0303 k = 0.4236 0.1323 0.6124 ( 3255 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3545 -36.3544 -36.3543 -9.1963 -9.1946 -9.1920 -9.1892 -8.1989 -8.1969 -8.1530 -8.1484 -8.1472 -8.1449 4.5912 4.6101 7.9668 7.9972 8.7425 8.8658 9.0630 9.2151 9.3447 9.4537 9.5642 9.6857 10.3211 10.3846 10.6297 10.6925 11.2773 11.3091 12.8138 12.8394 13.4144 13.4786 14.0999 14.1308 15.0493 15.0822 k = 0.4167 0.1443 0.6124 ( 3257 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3545 -36.3544 -36.3543 -9.1964 -9.1947 -9.1919 -9.1893 -8.1989 -8.1969 -8.1529 -8.1485 -8.1472 -8.1449 4.5886 4.6072 7.9484 7.9773 8.7725 8.8944 9.0709 9.2220 9.3371 9.4416 9.5566 9.6653 10.3135 10.3706 10.6264 10.6925 11.3091 11.3390 12.8189 12.8443 13.4173 13.4784 14.0842 14.1119 15.1027 15.1351 k = 0.4097 0.1564 0.6124 ( 3251 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3545 -36.3544 -36.3543 -9.1963 -9.1946 -9.1916 -9.1893 -8.1988 -8.1969 -8.1528 -8.1485 -8.1472 -8.1448 4.5862 4.6047 7.9327 7.9602 8.8001 8.9181 9.0808 9.2289 9.3295 9.4283 9.5494 9.6463 10.3075 10.3585 10.6241 10.6928 11.3370 11.3645 12.8239 12.8489 13.4197 13.4773 14.0713 14.0953 15.1565 15.1881 k = 0.4028 0.1684 0.6124 ( 3247 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3545 -36.3544 -36.3543 -9.1963 -9.1946 -9.1914 -9.1894 -8.1988 -8.1968 -8.1527 -8.1485 -8.1472 -8.1447 4.5842 4.6025 7.9199 7.9462 8.8250 8.9358 9.0928 9.2358 9.3220 9.4141 9.5431 9.6296 10.3029 10.3485 10.6227 10.6933 11.3607 11.3855 12.8286 12.8529 13.4216 13.4755 14.0613 14.0812 15.2092 15.2399 k = 0.3958 0.1804 0.6124 ( 3248 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3545 -36.3544 -36.3543 -9.1963 -9.1946 -9.1912 -9.1895 -8.1988 -8.1968 -8.1526 -8.1486 -8.1472 -8.1447 4.5826 4.6008 7.9098 7.9351 8.8464 8.9472 9.1061 9.2423 9.3148 9.3999 9.5378 9.6159 10.2995 10.3406 10.6218 10.6938 11.3796 11.4018 12.8326 12.8561 13.4231 13.4734 14.0542 14.0696 15.2589 15.2885 k = 0.3889 0.1925 0.6124 ( 3252 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3545 -36.3544 -36.3543 -9.1964 -9.1947 -9.1912 -9.1897 -8.1988 -8.1969 -8.1526 -8.1487 -8.1473 -8.1447 4.5815 4.5995 7.9026 7.9272 8.8633 8.9533 9.1188 9.2481 9.3086 9.3871 9.5337 9.6059 10.2973 10.3348 10.6213 10.6942 11.3935 11.4133 12.8357 12.8585 13.4242 13.4714 14.0500 14.0605 15.3022 15.3307 k = 0.3819 0.2045 0.6124 ( 3248 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3545 -36.3544 -36.3543 -9.1964 -9.1946 -9.1910 -9.1897 -8.1987 -8.1968 -8.1526 -8.1487 -8.1472 -8.1447 4.5808 4.5988 7.8983 7.9225 8.8744 8.9557 9.1281 9.2523 9.3043 9.3781 9.5312 9.5998 10.2960 10.3314 10.6210 10.6945 11.4020 11.4202 12.8377 12.8600 13.4249 13.4700 14.0485 14.0540 15.3334 15.3611 k = 0.3750 0.2165 0.6124 ( 3258 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3545 -36.3544 -36.3543 -9.1965 -9.1947 -9.1911 -9.1898 -8.1988 -8.1969 -8.1527 -8.1488 -8.1473 -8.1448 4.5805 4.5985 7.8969 7.9209 8.8783 8.9562 9.1316 9.2538 9.3026 9.3746 9.5303 9.5977 10.2956 10.3302 10.6209 10.6946 11.4048 11.4224 12.8383 12.8604 13.4251 13.4695 14.0492 14.0507 15.3451 15.3724 k = 0.3750 0.2165 0.6124 ( 3258 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3545 -36.3544 -36.3543 -9.1965 -9.1947 -9.1911 -9.1898 -8.1988 -8.1969 -8.1527 -8.1488 -8.1473 -8.1448 4.5805 4.5985 7.8969 7.9209 8.8783 8.9562 9.1316 9.2538 9.3026 9.3746 9.5303 9.5977 10.2956 10.3302 10.6209 10.6946 11.4048 11.4224 12.8383 12.8604 13.4251 13.4695 14.0492 14.0507 15.3451 15.3724 k = 0.3679 0.2124 0.6008 ( 3238 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3545 -36.3544 -36.3543 -9.1964 -9.1945 -9.1907 -9.1896 -8.1986 -8.1966 -8.1524 -8.1487 -8.1471 -8.1445 4.5725 4.5909 7.9542 7.9794 8.8449 8.9125 9.1216 9.2482 9.3036 9.3574 9.5309 9.6069 10.3176 10.3594 10.5651 10.6311 11.3959 11.4122 12.8520 12.8774 13.3870 13.4319 14.0849 14.0873 15.3471 15.3773 k = 0.3608 0.2083 0.5893 ( 3236 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3545 -36.3544 -36.3543 -9.1964 -9.1944 -9.1905 -9.1896 -8.1985 -8.1965 -8.1524 -8.1488 -8.1471 -8.1445 4.5629 4.5817 8.0129 8.0392 8.8093 8.8657 9.1110 9.2455 9.2907 9.3527 9.5341 9.6173 10.3231 10.3803 10.5273 10.5774 11.3888 11.4036 12.8667 12.8954 13.3495 13.3950 14.1247 14.1280 15.3463 15.3794 k = 0.3538 0.2043 0.5777 ( 3240 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3545 -36.3544 -36.3543 -9.1966 -9.1943 -9.1903 -9.1897 -8.1985 -8.1965 -8.1524 -8.1489 -8.1471 -8.1445 4.5518 4.5708 8.0726 8.0998 8.7717 8.8169 9.0986 9.2465 9.2676 9.3575 9.5402 9.6287 10.3034 10.3816 10.5166 10.5448 11.3840 11.3970 12.8826 12.9146 13.3127 13.3588 14.1685 14.1726 15.3431 15.3790 k = 0.3467 0.2002 0.5662 ( 3236 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3545 -36.3544 -36.3543 -9.1966 -9.1942 -9.1901 -9.1897 -8.1985 -8.1964 -8.1523 -8.1489 -8.1470 -8.1444 4.5389 4.5581 8.1329 8.1605 8.7322 8.7668 9.0839 9.2407 9.2521 9.3659 9.5491 9.6409 10.2630 10.3541 10.5288 10.5430 11.3816 11.3926 12.8996 12.9349 13.2769 13.3235 14.2162 14.2210 15.3379 15.3765 k = 0.3396 0.1961 0.5546 ( 3236 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3545 -36.3544 -36.3543 -9.1967 -9.1941 -9.1899 -9.1898 -8.1984 -8.1964 -8.1522 -8.1490 -8.1470 -8.1444 4.5243 4.5435 8.1933 8.2205 8.6908 8.7164 9.0667 9.2123 9.2623 9.3760 9.5607 9.6536 10.2128 10.3079 10.5528 10.5618 11.3820 11.3906 12.9178 12.9565 13.2420 13.2893 14.2677 14.2731 15.3311 15.3724 k = 0.3325 0.1920 0.5430 ( 3236 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3545 -36.3544 -36.3543 -9.1967 -9.1940 -9.1899 -9.1897 -8.1983 -8.1963 -8.1522 -8.1492 -8.1470 -8.1444 4.5076 4.5268 8.2532 8.2788 8.6480 8.6666 9.0473 9.1832 9.2771 9.3874 9.5751 9.6667 10.1594 10.2553 10.5821 10.5892 11.3852 11.3914 12.9370 12.9793 13.2082 13.2564 14.3228 14.3287 15.3232 15.3671 k = 0.3255 0.1879 0.5315 ( 3236 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3545 -36.3543 -36.3543 -9.1967 -9.1940 -9.1899 -9.1895 -8.1982 -8.1962 -8.1521 -8.1493 -8.1470 -8.1444 4.4889 4.5080 8.3120 8.3335 8.6042 8.6191 9.0261 9.1536 9.2964 9.3999 9.5924 9.6802 10.1057 10.2013 10.6139 10.6200 11.3915 11.3951 12.9573 13.0032 13.1759 13.2250 14.3814 14.3877 15.3147 15.3611 k = 0.3184 0.1838 0.5199 ( 3238 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3545 -36.3543 -36.3543 -9.1967 -9.1939 -9.1900 -9.1893 -8.1982 -8.1962 -8.1520 -8.1494 -8.1470 -8.1444 4.4681 4.4869 8.3689 8.3807 8.5597 8.5773 9.0033 9.1237 9.3200 9.4132 9.6130 9.6940 10.0527 10.1480 10.6469 10.6525 11.4012 11.4019 12.9781 13.0279 13.1454 13.1958 14.4433 14.4499 15.3059 15.3547 k = 0.3113 0.1797 0.5084 ( 3242 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3545 -36.3543 -36.3543 -9.1967 -9.1938 -9.1902 -9.1892 -8.1981 -8.1962 -8.1519 -8.1495 -8.1470 -8.1444 4.4451 4.4635 8.4103 8.4230 8.5154 8.5512 8.9793 9.0937 9.3474 9.4267 9.6377 9.7086 10.0010 10.0961 10.6806 10.6858 11.4121 11.4142 12.9987 13.0519 13.1184 13.1696 14.5084 14.5151 15.2974 15.3484 k = 0.3042 0.1757 0.4968 ( 3242 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3545 -36.3543 -36.3543 -9.1967 -9.1938 -9.1902 -9.1890 -8.1980 -8.1961 -8.1518 -8.1496 -8.1470 -8.1444 4.4198 4.4378 8.4064 8.4630 8.4824 8.5562 8.9544 9.0634 9.3779 9.4398 9.6672 9.7244 9.9508 10.0462 10.7149 10.7198 11.4258 11.4309 13.0172 13.0639 13.1063 13.1486 14.5765 14.5832 15.2897 15.3428 k = 0.2972 0.1716 0.4853 ( 3254 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3545 -36.3543 -36.3543 -9.1967 -9.1938 -9.1905 -9.1889 -8.1979 -8.1961 -8.1519 -8.1498 -8.1472 -8.1445 4.3922 4.4097 8.3767 8.4254 8.5239 8.5841 8.9288 9.0331 9.4101 9.4515 9.7024 9.7425 9.9023 9.9986 10.7494 10.7543 11.4432 11.4513 13.0289 13.0481 13.1251 13.1373 14.6474 14.6540 15.2831 15.3381 k = 0.2901 0.1675 0.4737 ( 3250 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3546 -36.3543 -36.3543 -9.1965 -9.1936 -9.1905 -9.1888 -8.1977 -8.1960 -8.1517 -8.1499 -8.1472 -8.1445 4.3624 4.3793 8.3389 8.3833 8.5669 8.6172 8.9030 9.0028 9.4420 9.4611 9.7434 9.7642 9.8563 9.9541 10.7845 10.7894 11.4643 11.4755 13.0247 13.0285 13.1414 13.1544 14.7209 14.7272 15.2783 15.3349 k = 0.2830 0.1634 0.4622 ( 3252 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3546 -36.3543 -36.3543 -9.1964 -9.1936 -9.1906 -9.1886 -8.1976 -8.1959 -8.1517 -8.1500 -8.1473 -8.1445 4.3303 4.3465 8.2996 8.3425 8.6054 8.6483 8.8772 8.9726 9.4680 9.4707 9.7811 9.7898 9.8223 9.9151 10.8200 10.8251 11.4892 11.5034 13.0014 13.0171 13.1597 13.1869 14.7969 14.8027 15.2757 15.3336 k = 0.2759 0.1593 0.4506 ( 3252 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3546 -36.3543 -36.3543 -9.1963 -9.1934 -9.1907 -9.1884 -8.1974 -8.1958 -8.1515 -8.1501 -8.1473 -8.1445 4.2960 4.3115 8.2614 8.3036 8.6389 8.6747 8.8521 8.9426 9.4718 9.4934 9.7576 9.8108 9.8582 9.8922 10.8560 10.8614 11.5180 11.5351 12.9793 13.0006 13.1863 13.2213 14.8752 14.8802 15.2759 15.3347 k = 0.2689 0.1552 0.4391 ( 3260 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3546 -36.3543 -36.3543 -9.1962 -9.1934 -9.1908 -9.1884 -8.1973 -8.1958 -8.1515 -8.1502 -8.1474 -8.1446 4.2596 4.2743 8.2250 8.2669 8.6671 8.6947 8.8287 8.9130 9.4722 9.5079 9.7165 9.8011 9.9132 9.9203 10.8925 10.8984 11.5506 11.5705 12.9588 12.9827 13.2177 13.2573 14.9554 14.9593 15.2794 15.3385 k = 0.2618 0.1511 0.4275 ( 3254 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3546 -36.3543 -36.3543 -9.1960 -9.1933 -9.1908 -9.1881 -8.1971 -8.1956 -8.1512 -8.1502 -8.1474 -8.1446 4.2211 4.2351 8.1912 8.2327 8.6900 8.7063 8.8092 8.8842 9.4693 9.5139 9.6756 9.7722 9.9668 9.9904 10.9299 10.9362 11.5868 11.6095 12.9402 12.9651 13.2520 13.2945 15.0375 15.0396 15.2870 15.3456 k = 0.2547 0.1471 0.4160 ( 3250 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3546 -36.3543 -36.3543 -9.1957 -9.1931 -9.1908 -9.1879 -8.1969 -8.1955 -8.1510 -8.1502 -8.1474 -8.1446 4.1807 4.1938 8.1600 8.2010 8.7066 8.7070 8.7962 8.8567 9.4630 9.5118 9.6363 9.7408 10.0349 10.0668 10.9680 10.9751 11.6267 11.6520 12.9235 12.9486 13.2885 13.3329 15.1201 15.1210 15.2998 15.3564 k = 0.2476 0.1430 0.4044 ( 3250 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3545 -36.3543 -36.3542 -9.1955 -9.1930 -9.1909 -9.1878 -8.1966 -8.1954 -8.1509 -8.1503 -8.1475 -8.1446 4.1385 4.1508 8.1317 8.1721 8.6952 8.7173 8.7906 8.8316 9.4529 9.5028 9.5991 9.7105 10.1123 10.1487 11.0071 11.0149 11.6699 11.6978 12.9088 12.9335 13.3266 13.3722 15.1988 15.2057 15.3201 15.3712 k = 0.2406 0.1389 0.3928 ( 3270 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3545 -36.3543 -36.3542 -9.1955 -9.1932 -9.1911 -9.1878 -8.1966 -8.1955 -8.1509 -8.1506 -8.1477 -8.1449 4.0946 4.1061 8.1062 8.1460 8.6758 8.7193 8.7888 8.8105 9.4389 9.4881 9.5643 9.6819 10.1965 10.2352 11.0471 11.0558 11.7163 11.7465 12.8965 12.9202 13.3660 13.4121 15.2690 15.2908 15.3544 15.3910 k = 0.2335 0.1348 0.3813 ( 3266 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3545 -36.3542 -36.3542 -9.1952 -9.1930 -9.1911 -9.1877 -8.1964 -8.1953 -8.1507 -8.1506 -8.1478 -8.1448 4.0493 4.0599 8.0838 8.1227 8.6526 8.7117 8.7870 8.7954 9.4210 9.4693 9.5328 9.6551 10.2859 10.3257 11.0882 11.0981 11.7655 11.7980 12.8865 12.9089 13.4064 13.4524 15.3209 15.3733 15.4130 15.4188 k = 0.2264 0.1307 0.3697 ( 3282 PWs) bands (ev): -71.9943 -71.9943 -40.8207 -40.8207 -36.3546 -36.3545 -36.3542 -36.3542 -9.1951 -9.1931 -9.1913 -9.1878 -8.1963 -8.1953 -8.1508 -8.1507 -8.1480 -8.1450 4.0028 4.0125 8.0643 8.1023 8.6277 8.6951 8.7832 8.7856 9.3993 9.4474 9.5043 9.6294 10.3792 10.4196 11.1305 11.1416 11.8173 11.8520 12.8791 12.8999 13.4474 13.4929 15.3606 15.4315 15.4763 15.4896 k = 0.2193 0.1266 0.3582 ( 3270 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3545 -36.3545 -36.3542 -36.3542 -9.1947 -9.1928 -9.1912 -9.1876 -8.1960 -8.1951 -8.1507 -8.1505 -8.1480 -8.1449 3.9551 3.9641 8.0477 8.0848 8.6023 8.6732 8.7769 8.7780 9.3746 9.4238 9.4788 9.6046 10.4755 10.5162 11.1740 11.1867 11.8712 11.9080 12.8746 12.8934 13.4890 13.5334 15.3997 15.4689 15.5600 15.5727 k = 0.2123 0.1226 0.3466 ( 3270 PWs) bands (ev): -71.9943 -71.9942 -40.8207 -40.8207 -36.3545 -36.3545 -36.3542 -36.3542 -9.1944 -9.1927 -9.1912 -9.1875 -8.1958 -8.1949 -8.1507 -8.1503 -8.1481 -8.1450 3.9066 3.9148 8.0338 8.0700 8.5767 8.6487 8.7676 8.7699 9.3478 9.3992 9.4551 9.5801 10.5739 10.6150 11.2188 11.2331 11.9266 11.9656 12.8732 12.8898 13.5306 13.5736 15.4422 15.5082 15.6469 15.6580 k = 0.2052 0.1185 0.3351 ( 3266 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3545 -36.3545 -36.3542 -36.3542 -9.1940 -9.1925 -9.1912 -9.1874 -8.1955 -8.1947 -8.1506 -8.1502 -8.1481 -8.1450 3.8574 3.8648 8.0227 8.0579 8.5512 8.6231 8.7554 8.7599 9.3203 9.3744 9.4327 9.5556 10.6738 10.7155 11.2648 11.2812 11.9831 12.0241 12.8754 12.8896 13.5723 13.6133 15.4893 15.5519 15.7341 15.7441 k = 0.1981 0.1144 0.3235 ( 3272 PWs) bands (ev): -71.9943 -71.9943 -40.8207 -40.8207 -36.3545 -36.3545 -36.3542 -36.3542 -9.1938 -9.1925 -9.1912 -9.1873 -8.1953 -8.1946 -8.1507 -8.1501 -8.1483 -8.1451 3.8078 3.8145 8.0142 8.0484 8.5261 8.5972 8.7404 8.7474 9.2928 9.3499 9.4108 9.5310 10.7744 10.8170 11.3121 11.3308 12.0399 12.0829 12.8816 12.8931 13.6138 13.6525 15.5415 15.6005 15.8211 15.8302 k = 0.1910 0.1103 0.3120 ( 3272 PWs) bands (ev): -71.9943 -71.9943 -40.8207 -40.8207 -36.3545 -36.3544 -36.3542 -36.3542 -9.1935 -9.1923 -9.1912 -9.1873 -8.1951 -8.1945 -8.1507 -8.1500 -8.1484 -8.1451 3.7579 3.7639 8.0080 8.0412 8.5014 8.5714 8.7226 8.7324 9.2661 9.3260 9.3890 9.5061 10.8753 10.9193 11.3606 11.3821 12.0961 12.1411 12.8925 12.9011 13.6549 13.6910 15.5986 15.6536 15.9072 15.9159 k = 0.1840 0.1062 0.3004 ( 3272 PWs) bands (ev): -71.9943 -71.9943 -40.8207 -40.8207 -36.3544 -36.3544 -36.3542 -36.3541 -9.1933 -9.1922 -9.1912 -9.1872 -8.1948 -8.1943 -8.1507 -8.1499 -8.1484 -8.1452 3.7080 3.7134 8.0042 8.0364 8.4774 8.5460 8.7025 8.7147 9.2407 9.3030 9.3673 9.4810 10.9758 11.0217 11.4104 11.4351 12.1509 12.1977 12.9086 12.9144 13.6956 13.7288 15.6602 15.7111 15.9923 16.0009 k = 0.1769 0.1021 0.2889 ( 3276 PWs) bands (ev): -71.9943 -71.9943 -40.8207 -40.8207 -36.3544 -36.3544 -36.3541 -36.3541 -9.1930 -9.1922 -9.1912 -9.1872 -8.1946 -8.1942 -8.1508 -8.1498 -8.1486 -8.1453 3.6583 3.6631 8.0025 8.0337 8.4540 8.5211 8.6801 8.6946 9.2167 9.2810 9.3454 9.4557 11.0753 11.1237 11.4613 11.4898 12.2033 12.2516 12.9310 12.9340 13.7359 13.7660 15.7258 15.7722 16.0760 16.0851 k = 0.1698 0.0980 0.2773 ( 3264 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8206 -36.3544 -36.3544 -36.3541 -36.3541 -9.1925 -9.1918 -9.1911 -9.1871 -8.1942 -8.1938 -8.1506 -8.1496 -8.1486 -8.1452 3.6090 3.6132 8.0028 8.0331 8.4314 8.4968 8.6559 8.6722 9.1944 9.2601 9.3236 9.4302 11.1734 11.2251 11.5135 11.5464 12.2522 12.3016 12.9601 12.9606 13.7757 13.8026 15.7944 15.8362 16.1580 16.1683 k = 0.1627 0.0940 0.2657 ( 3265 PWs) bands (ev): -71.9942 -71.9942 -40.8206 -40.8206 -36.3544 -36.3544 -36.3541 -36.3541 -9.1922 -9.1917 -9.1910 -9.1871 -8.1940 -8.1937 -8.1506 -8.1495 -8.1487 -8.1453 3.5603 3.5639 8.0049 8.0342 8.4096 8.4731 8.6301 8.6478 9.1736 9.2402 9.3017 9.4047 11.2693 11.3252 11.5667 11.6048 12.2969 12.3467 12.9953 12.9968 13.8151 13.8388 15.8647 15.9019 16.2382 16.2506 k = 0.1557 0.0899 0.2542 ( 3273 PWs) bands (ev): -71.9943 -71.9943 -40.8206 -40.8206 -36.3543 -36.3543 -36.3541 -36.3541 -9.1920 -9.1916 -9.1911 -9.1871 -8.1938 -8.1936 -8.1506 -8.1495 -8.1488 -8.1455 3.5123 3.5155 8.0086 8.0370 8.3885 8.4502 8.6030 8.6218 9.1545 9.2213 9.2799 9.3791 11.3627 11.4236 11.6207 11.6648 12.3367 12.3862 13.0383 13.0412 13.8542 13.8746 15.9352 15.9677 16.3164 16.3319 k = 0.1486 0.0858 0.2426 ( 3273 PWs) bands (ev): -71.9943 -71.9943 -40.8206 -40.8206 -36.3543 -36.3543 -36.3541 -36.3541 -9.1917 -9.1915 -9.1910 -9.1871 -8.1936 -8.1934 -8.1506 -8.1494 -8.1489 -8.1456 3.4653 3.4680 8.0137 8.0412 8.3684 8.4281 8.5750 8.5945 9.1369 9.2035 9.2583 9.3537 11.4530 11.5200 11.6757 11.7266 12.3713 12.4197 13.0899 13.0935 13.8931 13.9103 16.0036 16.0316 16.3924 16.4127 k = 0.1415 0.0817 0.2311 ( 3275 PWs) bands (ev): -71.9943 -71.9943 -40.8206 -40.8206 -36.3543 -36.3543 -36.3541 -36.3541 -9.1915 -9.1914 -9.1909 -9.1871 -8.1934 -8.1932 -8.1506 -8.1493 -8.1490 -8.1458 3.4194 3.4217 8.0202 8.0467 8.3491 8.4068 8.5464 8.5662 9.1207 9.1866 9.2369 9.3285 11.5399 11.6137 11.7315 11.7897 12.4010 12.4476 13.1495 13.1532 13.9318 13.9459 16.0673 16.0908 16.4662 16.4932 k = 0.1344 0.0776 0.2195 ( 3275 PWs) bands (ev): -71.9943 -71.9943 -40.8206 -40.8206 -36.3543 -36.3543 -36.3541 -36.3541 -9.1912 -9.1912 -9.1908 -9.1872 -8.1931 -8.1930 -8.1506 -8.1492 -8.1490 -8.1459 3.3747 3.3768 8.0278 8.0534 8.3308 8.3864 8.5175 8.5373 9.1059 9.1706 9.2160 9.3037 11.6232 11.7044 11.7878 11.8539 12.4261 12.4704 13.2162 13.2195 13.9705 13.9817 16.1228 16.1420 16.5378 16.5739 k = 0.1274 0.0735 0.2080 ( 3275 PWs) bands (ev): -71.9943 -71.9943 -40.8206 -40.8206 -36.3542 -36.3542 -36.3541 -36.3541 -9.1911 -9.1909 -9.1908 -9.1872 -8.1929 -8.1928 -8.1505 -8.1491 -8.1491 -8.1460 3.3315 3.3333 8.0363 8.0610 8.3135 8.3668 8.4886 8.5081 9.0923 9.1554 9.1956 9.2793 11.7029 11.7917 11.8446 11.9187 12.4473 12.4888 13.2890 13.2917 14.0092 14.0177 16.1660 16.1811 16.6070 16.6551 k = 0.1203 0.0694 0.1964 ( 3275 PWs) bands (ev): -71.9943 -71.9943 -40.8206 -40.8206 -36.3542 -36.3542 -36.3541 -36.3541 -9.1909 -9.1907 -9.1906 -9.1872 -8.1927 -8.1926 -8.1505 -8.1491 -8.1490 -8.1461 3.2899 3.2914 8.0456 8.0693 8.2971 8.3481 8.4599 8.4789 9.0799 9.1410 9.1759 9.2555 11.7791 11.8748 11.9018 11.9832 12.4651 12.5037 13.3668 13.3688 14.0479 14.0540 16.1928 16.2039 16.6739 16.7369 k = 0.1132 0.0654 0.1849 ( 3265 PWs) bands (ev): -71.9943 -71.9943 -40.8206 -40.8206 -36.3542 -36.3542 -36.3540 -36.3540 -9.1907 -9.1904 -9.1904 -9.1871 -8.1924 -8.1924 -8.1504 -8.1490 -8.1488 -8.1462 3.2500 3.2512 8.0555 8.0783 8.2818 8.3304 8.4317 8.4501 9.0686 9.1276 9.1569 9.2324 11.8520 11.9513 11.9617 12.0467 12.4803 12.5157 13.4485 13.4497 14.0867 14.0906 16.2001 16.2077 16.7384 16.8186 k = 0.1061 0.0613 0.1733 ( 3269 PWs) bands (ev): -71.9943 -71.9943 -40.8206 -40.8206 -36.3542 -36.3542 -36.3540 -36.3540 -9.1906 -9.1903 -9.1902 -9.1872 -8.1923 -8.1922 -8.1504 -8.1491 -8.1488 -8.1463 3.2119 3.2129 8.0658 8.0876 8.2675 8.3135 8.4042 8.4219 9.0582 9.1147 9.1386 9.2100 11.9218 12.0125 12.0321 12.1083 12.4931 12.5255 13.5332 13.5337 14.1254 14.1274 16.1875 16.1924 16.8005 16.8981 k = 0.0991 0.0572 0.1618 ( 3263 PWs) bands (ev): -71.9943 -71.9943 -40.8206 -40.8206 -36.3541 -36.3541 -36.3540 -36.3540 -9.1904 -9.1901 -9.1899 -9.1872 -8.1920 -8.1920 -8.1502 -8.1490 -8.1487 -8.1464 3.1758 3.1766 8.0764 8.0972 8.2542 8.2976 8.3776 8.3945 9.0489 9.1027 9.1213 9.1884 11.9890 12.0689 12.1020 12.1674 12.5043 12.5335 13.6198 13.6200 14.1638 14.1643 16.1572 16.1604 16.8599 16.9668 k = 0.0920 0.0531 0.1502 ( 3263 PWs) bands (ev): -71.9943 -71.9943 -40.8206 -40.8206 -36.3541 -36.3541 -36.3540 -36.3540 -9.1903 -9.1900 -9.1897 -9.1872 -8.1919 -8.1918 -8.1501 -8.1490 -8.1486 -8.1466 3.1417 3.1423 8.0871 8.1068 8.2420 8.2827 8.3522 8.3681 9.0404 9.0913 9.1050 9.1677 12.0535 12.1238 12.1676 12.2231 12.5141 12.5401 13.7071 13.7079 14.2010 14.2019 16.1134 16.1158 16.9166 17.0098 k = 0.0849 0.0490 0.1387 ( 3267 PWs) bands (ev): -71.9943 -71.9943 -40.8206 -40.8206 -36.3541 -36.3541 -36.3540 -36.3540 -9.1902 -9.1899 -9.1896 -9.1874 -8.1918 -8.1917 -8.1501 -8.1490 -8.1486 -8.1468 3.1098 3.1103 8.0978 8.1164 8.2307 8.2686 8.3280 8.3430 9.0327 9.0806 9.0897 9.1480 12.1155 12.1773 12.2283 12.2750 12.5227 12.5457 13.7950 13.7962 14.2373 14.2392 16.0608 16.0627 16.9703 17.0425 k = 0.0778 0.0449 0.1271 ( 3259 PWs) bands (ev): -71.9942 -71.9942 -40.8205 -40.8205 -36.3541 -36.3541 -36.3540 -36.3540 -9.1900 -9.1897 -9.1893 -9.1874 -8.1915 -8.1915 -8.1499 -8.1490 -8.1485 -8.1469 3.0801 3.0805 8.1083 8.1257 8.2206 8.2556 8.3053 8.3193 9.0260 9.0706 9.0757 9.1294 12.1748 12.2290 12.2841 12.3226 12.5306 12.5503 13.8824 13.8841 14.2729 14.2756 16.0032 16.0049 17.0207 17.0749 k = 0.0708 0.0409 0.1155 ( 3263 PWs) bands (ev): -71.9943 -71.9943 -40.8205 -40.8205 -36.3541 -36.3541 -36.3540 -36.3540 -9.1900 -9.1895 -9.1891 -9.1876 -8.1914 -8.1914 -8.1498 -8.1491 -8.1486 -8.1470 3.0527 3.0530 8.1185 8.1347 8.2115 8.2434 8.2841 8.2971 9.0201 9.0612 9.0628 9.1119 12.2312 12.2783 12.3347 12.3656 12.5379 12.5544 13.9685 13.9705 14.3074 14.3105 15.9437 15.9452 17.0670 17.1070 k = 0.0637 0.0368 0.1040 ( 3265 PWs) bands (ev): -71.9943 -71.9943 -40.8205 -40.8205 -36.3540 -36.3540 -36.3540 -36.3540 -9.1898 -9.1894 -9.1890 -9.1877 -8.1913 -8.1913 -8.1497 -8.1490 -8.1485 -8.1472 3.0277 3.0279 8.1283 8.1431 8.2034 8.2323 8.2647 8.2765 9.0150 9.0513 9.0526 9.0957 12.2845 12.3248 12.3803 12.4039 12.5449 12.5579 14.0524 14.0546 14.3403 14.3436 15.8846 15.8858 17.1082 17.1369 k = 0.0566 0.0327 0.0924 ( 3259 PWs) bands (ev): -71.9942 -71.9942 -40.8205 -40.8205 -36.3540 -36.3540 -36.3540 -36.3540 -9.1896 -9.1893 -9.1888 -9.1877 -8.1912 -8.1912 -8.1496 -8.1489 -8.1484 -8.1473 3.0052 3.0054 8.1375 8.1509 8.1965 8.2221 8.2470 8.2579 9.0108 9.0411 9.0447 9.0807 12.3342 12.3680 12.4209 12.4371 12.5517 12.5612 14.1330 14.1353 14.3712 14.3746 15.8275 15.8286 17.1434 17.1630 k = 0.0495 0.0286 0.0809 ( 3259 PWs) bands (ev): -71.9942 -71.9942 -40.8205 -40.8205 -36.3540 -36.3540 -36.3540 -36.3540 -9.1895 -9.1891 -9.1887 -9.1878 -8.1911 -8.1910 -8.1495 -8.1489 -8.1484 -8.1475 2.9852 2.9853 8.1460 8.1579 8.1906 8.2128 8.2313 8.2411 9.0073 9.0322 9.0374 9.0669 12.3799 12.4073 12.4562 12.4653 12.5587 12.5645 14.2091 14.2114 14.3997 14.4029 15.7741 15.7749 17.1711 17.1837 k = 0.0425 0.0245 0.0693 ( 3259 PWs) bands (ev): -71.9942 -71.9942 -40.8205 -40.8205 -36.3540 -36.3540 -36.3540 -36.3540 -9.1894 -9.1890 -9.1886 -9.1879 -8.1910 -8.1910 -8.1494 -8.1488 -8.1484 -8.1476 2.9678 2.9678 8.1537 8.1640 8.1857 8.2046 8.2175 8.2263 9.0047 9.0247 9.0309 9.0545 12.4209 12.4421 12.4859 12.4882 12.5661 12.5683 14.2794 14.2816 14.4253 14.4283 15.7254 15.7259 17.1904 17.1978 k = 0.0354 0.0204 0.0578 ( 3255 PWs) bands (ev): -71.9942 -71.9942 -40.8205 -40.8205 -36.3540 -36.3540 -36.3540 -36.3540 -9.1893 -9.1888 -9.1885 -9.1880 -8.1909 -8.1909 -8.1492 -8.1488 -8.1484 -8.1477 2.9529 2.9530 8.1605 8.1692 8.1820 8.1973 8.2058 8.2136 9.0030 9.0187 9.0252 9.0435 12.4568 12.4721 12.5061 12.5094 12.5733 12.5740 14.3426 14.3446 14.4477 14.4503 15.6824 15.6828 17.2010 17.2048 k = 0.0283 0.0163 0.0462 ( 3269 PWs) bands (ev): -71.9943 -71.9943 -40.8205 -40.8205 -36.3540 -36.3540 -36.3540 -36.3540 -9.1893 -9.1889 -9.1886 -9.1883 -8.1910 -8.1910 -8.1491 -8.1489 -8.1486 -8.1480 2.9408 2.9408 8.1663 8.1733 8.1792 8.1911 8.1961 8.2029 9.0021 9.0140 9.0201 9.0337 12.4869 12.4969 12.5192 12.5259 12.5801 12.5822 14.3970 14.3988 14.4666 14.4687 15.6460 15.6462 17.2037 17.2053 k = 0.0212 0.0123 0.0347 ( 3281 PWs) bands (ev): -71.9943 -71.9943 -40.8205 -40.8205 -36.3540 -36.3540 -36.3540 -36.3540 -9.1893 -9.1890 -9.1888 -9.1885 -8.1911 -8.1911 -8.1492 -8.1490 -8.1487 -8.1483 2.9312 2.9312 8.1711 8.1763 8.1776 8.1860 8.1886 8.1943 9.0021 9.0106 9.0158 9.0253 12.5106 12.5163 12.5285 12.5356 12.5883 12.5900 14.4414 14.4428 14.4816 14.4832 15.6169 15.6170 17.2006 17.2012 k = 0.0142 0.0082 0.0231 ( 3287 PWs) bands (ev): -71.9943 -71.9943 -40.8205 -40.8205 -36.3540 -36.3540 -36.3540 -36.3540 -9.1892 -9.1890 -9.1889 -9.1887 -8.1911 -8.1911 -8.1491 -8.1489 -8.1488 -8.1486 2.9244 2.9244 8.1749 8.1771 8.1781 8.1822 8.1832 8.1877 9.0031 9.0086 9.0124 9.0183 12.5276 12.5303 12.5348 12.5404 12.5959 12.5967 14.4743 14.4753 14.4925 14.4936 15.5957 15.5957 17.1950 17.1951 k = 0.0071 0.0041 0.0116 ( 3287 PWs) bands (ev): -71.9943 -71.9943 -40.8205 -40.8205 -36.3540 -36.3540 -36.3540 -36.3540 -9.1890 -9.1890 -9.1889 -9.1888 -8.1911 -8.1911 -8.1490 -8.1489 -8.1488 -8.1487 2.9203 2.9203 8.1775 8.1777 8.1784 8.1800 8.1804 8.1829 9.0052 9.0079 9.0098 9.0127 12.5378 12.5387 12.5390 12.5419 12.6012 12.6013 14.4946 14.4951 14.4993 14.4998 15.5827 15.5827 17.1900 17.1900 k = 0.0000 0.0000 0.0000 ( 3287 PWs) bands (ev): -71.9943 -71.9943 -40.8205 -40.8205 -36.3540 -36.3540 -36.3540 -36.3540 -9.1889 -9.1889 -9.1889 -9.1889 -8.1911 -8.1911 -8.1489 -8.1489 -8.1489 -8.1489 2.9190 2.9190 8.1781 8.1781 8.1796 8.1796 8.1796 8.1796 9.0083 9.0083 9.0083 9.0083 12.5413 12.5413 12.5413 12.5413 12.6029 12.6029 14.5017 14.5017 14.5017 14.5017 15.5784 15.5784 17.1881 17.1881 k = 0.0000 0.0000 0.0000 ( 3287 PWs) bands (ev): -71.9943 -71.9943 -40.8205 -40.8205 -36.3540 -36.3540 -36.3540 -36.3540 -9.1889 -9.1889 -9.1889 -9.1889 -8.1911 -8.1911 -8.1489 -8.1489 -8.1489 -8.1489 2.9190 2.9190 8.1781 8.1781 8.1796 8.1796 8.1796 8.1796 9.0083 9.0083 9.0083 9.0083 12.5413 12.5413 12.5413 12.5413 12.6029 12.6029 14.5017 14.5017 14.5017 14.5017 15.5784 15.5784 17.1881 17.1881 k = 0.0114 0.0066 0.0046 ( 3287 PWs) bands (ev): -71.9943 -71.9943 -40.8205 -40.8205 -36.3540 -36.3540 -36.3540 -36.3540 -9.1890 -9.1889 -9.1889 -9.1888 -8.1911 -8.1911 -8.1490 -8.1489 -8.1489 -8.1487 2.9203 2.9203 8.1777 8.1781 8.1781 8.1800 8.1800 8.1829 9.0051 9.0088 9.0088 9.0127 12.5382 12.5382 12.5391 12.5422 12.6013 12.6013 14.4971 14.4972 14.4972 14.4980 15.5826 15.5826 17.1900 17.1900 k = 0.0227 0.0131 0.0093 ( 3287 PWs) bands (ev): -71.9943 -71.9943 -40.8205 -40.8205 -36.3540 -36.3540 -36.3540 -36.3540 -9.1892 -9.1889 -9.1889 -9.1887 -8.1911 -8.1911 -8.1491 -8.1489 -8.1489 -8.1486 2.9243 2.9243 8.1771 8.1773 8.1773 8.1818 8.1818 8.1875 9.0030 9.0104 9.0104 9.0183 12.5284 12.5284 12.5356 12.5417 12.5966 12.5966 14.4837 14.4837 14.4845 14.4861 15.5951 15.5951 17.1946 17.1946 k = 0.0341 0.0197 0.0139 ( 3281 PWs) bands (ev): -71.9943 -71.9943 -40.8205 -40.8205 -36.3540 -36.3540 -36.3540 -36.3540 -9.1893 -9.1889 -9.1889 -9.1885 -8.1911 -8.1911 -8.1492 -8.1488 -8.1488 -8.1483 2.9308 2.9308 8.1757 8.1757 8.1778 8.1854 8.1854 8.1934 9.0022 9.0130 9.0130 9.0251 12.5115 12.5115 12.5306 12.5398 12.5896 12.5896 14.4617 14.4617 14.4640 14.4664 15.6155 15.6155 17.1991 17.1991 k = 0.0455 0.0262 0.0186 ( 3266 PWs) bands (ev): -71.9943 -71.9943 -40.8205 -40.8205 -36.3540 -36.3540 -36.3540 -36.3540 -9.1893 -9.1887 -9.1887 -9.1883 -8.1910 -8.1910 -8.1491 -8.1487 -8.1487 -8.1479 2.9400 2.9400 8.1733 8.1733 8.1799 8.1904 8.1904 8.2006 9.0026 9.0166 9.0166 9.0330 12.4872 12.4872 12.5243 12.5365 12.5809 12.5809 14.4320 14.4320 14.4363 14.4394 15.6433 15.6433 17.1982 17.1982 k = 0.0568 0.0328 0.0232 ( 3260 PWs) bands (ev): -71.9942 -71.9942 -40.8205 -40.8205 -36.3540 -36.3540 -36.3540 -36.3540 -9.1894 -9.1887 -9.1887 -9.1882 -8.1910 -8.1910 -8.1492 -8.1487 -8.1487 -8.1477 2.9518 2.9518 8.1703 8.1703 8.1832 8.1968 8.1968 8.2091 9.0041 9.0213 9.0213 9.0421 12.4555 12.4555 12.5163 12.5317 12.5706 12.5706 14.3953 14.3953 14.4021 14.4056 15.6778 15.6778 17.1848 17.1848 k = 0.0682 0.0394 0.0278 ( 3254 PWs) bands (ev): -71.9942 -71.9942 -40.8205 -40.8205 -36.3540 -36.3540 -36.3540 -36.3540 -9.1894 -9.1887 -9.1887 -9.1879 -8.1910 -8.1910 -8.1492 -8.1486 -8.1486 -8.1474 2.9662 2.9662 8.1665 8.1665 8.1879 8.2046 8.2046 8.2189 9.0068 9.0269 9.0269 9.0524 12.4167 12.4167 12.5068 12.5253 12.5587 12.5587 14.3526 14.3526 14.3621 14.3660 15.7179 15.7179 17.1532 17.1532 k = 0.0795 0.0459 0.0325 ( 3260 PWs) bands (ev): -71.9942 -71.9942 -40.8205 -40.8205 -36.3540 -36.3540 -36.3540 -36.3540 -9.1895 -9.1889 -9.1889 -9.1878 -8.1911 -8.1911 -8.1494 -8.1487 -8.1487 -8.1474 2.9831 2.9831 8.1622 8.1622 8.1938 8.2137 8.2137 8.2299 9.0106 9.0335 9.0335 9.0637 12.3717 12.3717 12.4955 12.5172 12.5450 12.5450 14.3050 14.3050 14.3172 14.3213 15.7622 15.7622 17.1024 17.1024 k = 0.0909 0.0525 0.0371 ( 3269 PWs) bands (ev): -71.9943 -71.9943 -40.8205 -40.8205 -36.3540 -36.3540 -36.3540 -36.3540 -9.1897 -9.1892 -9.1892 -9.1878 -8.1913 -8.1913 -8.1496 -8.1488 -8.1488 -8.1473 3.0025 3.0025 8.1573 8.1573 8.2009 8.2242 8.2242 8.2420 9.0155 9.0411 9.0411 9.0761 12.3210 12.3210 12.4824 12.5073 12.5293 12.5293 14.2535 14.2535 14.2683 14.2725 15.8091 15.8091 17.0362 17.0362 k = 0.1023 0.0590 0.0418 ( 3260 PWs) bands (ev): -71.9942 -71.9942 -40.8205 -40.8205 -36.3540 -36.3540 -36.3540 -36.3540 -9.1897 -9.1892 -9.1892 -9.1876 -8.1913 -8.1913 -8.1496 -8.1488 -8.1488 -8.1471 3.0243 3.0243 8.1521 8.1521 8.2093 8.2361 8.2361 8.2554 9.0218 9.0498 9.0498 9.0898 12.2651 12.2651 12.4674 12.4956 12.5114 12.5114 14.1991 14.1991 14.2163 14.2204 15.8561 15.8561 16.9600 16.9600 k = 0.1136 0.0656 0.0464 ( 3260 PWs) bands (ev): -71.9942 -71.9942 -40.8205 -40.8205 -36.3541 -36.3541 -36.3540 -36.3540 -9.1898 -9.1894 -9.1894 -9.1875 -8.1914 -8.1914 -8.1497 -8.1488 -8.1488 -8.1469 3.0485 3.0485 8.1464 8.1464 8.2188 8.2492 8.2492 8.2698 9.0292 9.0594 9.0594 9.1045 12.2047 12.2047 12.4501 12.4817 12.4911 12.4911 14.1427 14.1427 14.1621 14.1659 15.8997 15.8997 16.8801 16.8801 k = 0.1250 0.0722 0.0510 ( 3275 PWs) bands (ev): -71.9943 -71.9943 -40.8206 -40.8206 -36.3541 -36.3541 -36.3540 -36.3540 -9.1901 -9.1897 -9.1897 -9.1875 -8.1917 -8.1917 -8.1499 -8.1490 -8.1490 -8.1469 3.0750 3.0750 8.1403 8.1403 8.2295 8.2636 8.2636 8.2853 9.0377 9.0699 9.0699 9.1203 12.1402 12.1402 12.4306 12.4655 12.4682 12.4682 14.0853 14.0853 14.1064 14.1098 15.9350 15.9350 16.8033 16.8033 k = 0.1364 0.0787 0.0557 ( 3272 PWs) bands (ev): -71.9943 -71.9943 -40.8206 -40.8206 -36.3541 -36.3541 -36.3540 -36.3540 -9.1901 -9.1898 -9.1898 -9.1874 -8.1918 -8.1918 -8.1499 -8.1491 -8.1491 -8.1467 3.1038 3.1038 8.1340 8.1340 8.2413 8.2792 8.2792 8.3018 9.0476 9.0814 9.0814 9.1373 12.0721 12.0721 12.4086 12.4426 12.4426 12.4470 14.0277 14.0277 14.0502 14.0531 15.9548 15.9548 16.7379 16.7379 k = 0.1477 0.0853 0.0603 ( 3278 PWs) bands (ev): -71.9943 -71.9943 -40.8206 -40.8206 -36.3541 -36.3541 -36.3540 -36.3540 -9.1902 -9.1901 -9.1901 -9.1874 -8.1920 -8.1920 -8.1500 -8.1492 -8.1492 -8.1467 3.1347 3.1347 8.1275 8.1275 8.2541 8.2960 8.2960 8.3192 9.0586 9.0938 9.0938 9.1553 12.0009 12.0009 12.3840 12.4140 12.4140 12.4258 13.9706 13.9706 13.9941 13.9964 15.9509 15.9509 16.6929 16.6929 k = 0.1591 0.0919 0.0649 ( 3278 PWs) bands (ev): -71.9943 -71.9943 -40.8206 -40.8206 -36.3541 -36.3541 -36.3540 -36.3540 -9.1903 -9.1903 -9.1902 -9.1872 -8.1921 -8.1921 -8.1501 -8.1492 -8.1492 -8.1466 3.1677 3.1677 8.1209 8.1209 8.2681 8.3140 8.3140 8.3375 9.0708 9.1071 9.1071 9.1743 11.9271 11.9271 12.3566 12.3825 12.3825 12.4018 13.9146 13.9146 13.9388 13.9404 15.9171 15.9171 16.6747 16.6747 k = 0.1705 0.0984 0.0696 ( 3278 PWs) bands (ev): -71.9943 -71.9943 -40.8206 -40.8206 -36.3542 -36.3542 -36.3540 -36.3540 -9.1905 -9.1905 -9.1903 -9.1872 -8.1923 -8.1923 -8.1501 -8.1492 -8.1492 -8.1464 3.2027 3.2027 8.1143 8.1143 8.2829 8.3330 8.3330 8.3566 9.0842 9.1213 9.1213 9.1945 11.8509 11.8509 12.3262 12.3478 12.3478 12.3749 13.8603 13.8603 13.8849 13.8858 15.8538 15.8538 16.6829 16.6829 k = 0.1818 0.1050 0.0742 ( 3284 PWs) bands (ev): -71.9943 -71.9943 -40.8206 -40.8206 -36.3542 -36.3542 -36.3540 -36.3540 -9.1908 -9.1908 -9.1905 -9.1872 -8.1925 -8.1925 -8.1502 -8.1494 -8.1494 -8.1464 3.2396 3.2396 8.1076 8.1076 8.2987 8.3531 8.3531 8.3764 9.0988 9.1363 9.1363 9.2155 11.7728 11.7728 12.2928 12.3100 12.3100 12.3449 13.8081 13.8081 13.8329 13.8330 15.7671 15.7671 16.7115 16.7115 k = 0.1932 0.1115 0.0789 ( 3284 PWs) bands (ev): -71.9943 -71.9943 -40.8206 -40.8206 -36.3542 -36.3542 -36.3541 -36.3541 -9.1910 -9.1910 -9.1905 -9.1872 -8.1927 -8.1927 -8.1501 -8.1495 -8.1495 -8.1462 3.2782 3.2782 8.1011 8.1011 8.3153 8.3741 8.3741 8.3968 9.1147 9.1520 9.1520 9.2377 11.6930 11.6930 12.2563 12.2691 12.2691 12.3116 13.7585 13.7585 13.7827 13.7833 15.6643 15.6643 16.7528 16.7528 k = 0.2045 0.1181 0.0835 ( 3284 PWs) bands (ev): -71.9943 -71.9943 -40.8206 -40.8206 -36.3542 -36.3542 -36.3541 -36.3541 -9.1912 -9.1912 -9.1905 -9.1871 -8.1928 -8.1928 -8.1501 -8.1495 -8.1495 -8.1461 3.3184 3.3184 8.0948 8.0948 8.3328 8.3961 8.3961 8.4178 9.1318 9.1686 9.1686 9.2607 11.6120 11.6120 12.2166 12.2251 12.2251 12.2751 13.7116 13.7116 13.7351 13.7364 15.5513 15.5513 16.8006 16.8006 k = 0.2159 0.1247 0.0881 ( 3275 PWs) bands (ev): -71.9943 -71.9943 -40.8206 -40.8206 -36.3543 -36.3543 -36.3541 -36.3541 -9.1914 -9.1914 -9.1905 -9.1870 -8.1929 -8.1929 -8.1500 -8.1495 -8.1495 -8.1459 3.3602 3.3602 8.0887 8.0887 8.3510 8.4190 8.4190 8.4392 9.1502 9.1858 9.1858 9.2848 11.5301 11.5301 12.1738 12.1782 12.1782 12.2354 13.6676 13.6676 13.6907 13.6926 15.4323 15.4323 16.8505 16.8505 k = 0.2273 0.1312 0.0928 ( 3275 PWs) bands (ev): -71.9943 -71.9943 -40.8206 -40.8206 -36.3543 -36.3543 -36.3541 -36.3541 -9.1916 -9.1916 -9.1905 -9.1870 -8.1931 -8.1931 -8.1500 -8.1495 -8.1495 -8.1458 3.4032 3.4032 8.0829 8.0829 8.3698 8.4426 8.4426 8.4609 9.1698 9.2037 9.2037 9.3096 11.4475 11.4475 12.1280 12.1286 12.1286 12.1925 13.6267 13.6267 13.6494 13.6518 15.3100 15.3100 16.8997 16.8997 k = 0.2386 0.1378 0.0974 ( 3287 PWs) bands (ev): -71.9943 -71.9943 -40.8206 -40.8206 -36.3543 -36.3543 -36.3541 -36.3541 -9.1920 -9.1920 -9.1906 -9.1870 -8.1934 -8.1934 -8.1500 -8.1497 -8.1497 -8.1459 3.4475 3.4475 8.0774 8.0774 8.3891 8.4668 8.4668 8.4828 9.1906 9.2220 9.2220 9.3353 11.3645 11.3645 12.0765 12.0765 12.0794 12.1465 13.5888 13.5888 13.6116 13.6144 15.1863 15.1863 16.9461 16.9461 k = 0.2500 0.1443 0.1021 ( 3275 PWs) bands (ev): -71.9943 -71.9943 -40.8206 -40.8206 -36.3543 -36.3543 -36.3541 -36.3541 -9.1920 -9.1920 -9.1905 -9.1870 -8.1935 -8.1935 -8.1498 -8.1496 -8.1496 -8.1456 3.4927 3.4927 8.0725 8.0725 8.4090 8.4917 8.4917 8.5048 9.2127 9.2410 9.2410 9.3618 11.2816 11.2816 12.0222 12.0222 12.0281 12.0978 13.5538 13.5538 13.5771 13.5802 15.0627 15.0627 16.9885 16.9885 k = 0.2614 0.1509 0.1067 ( 3263 PWs) bands (ev): -71.9942 -71.9942 -40.8206 -40.8206 -36.3544 -36.3544 -36.3541 -36.3541 -9.1921 -9.1921 -9.1904 -9.1868 -8.1936 -8.1936 -8.1496 -8.1495 -8.1495 -8.1454 3.5387 3.5387 8.0680 8.0680 8.4294 8.5172 8.5172 8.5267 9.2360 9.2603 9.2603 9.3891 11.1988 11.1988 11.9660 11.9660 11.9746 12.0465 13.5218 13.5218 13.5460 13.5492 14.9402 14.9402 17.0261 17.0261 k = 0.2727 0.1575 0.1113 ( 3257 PWs) bands (ev): -71.9942 -71.9942 -40.8206 -40.8206 -36.3544 -36.3544 -36.3541 -36.3541 -9.1922 -9.1922 -9.1904 -9.1869 -8.1937 -8.1937 -8.1495 -8.1495 -8.1495 -8.1454 3.5854 3.5854 8.0640 8.0640 8.4500 8.5430 8.5430 8.5484 9.2606 9.2800 9.2800 9.4170 11.1167 11.1167 11.9084 11.9084 11.9190 11.9929 13.4924 13.4924 13.5181 13.5214 14.8197 14.8197 17.0587 17.0587 k = 0.2841 0.1640 0.1160 ( 3263 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3544 -36.3544 -36.3541 -36.3541 -9.1926 -9.1926 -9.1904 -9.1869 -8.1940 -8.1940 -8.1497 -8.1497 -8.1494 -8.1453 3.6324 3.6324 8.0605 8.0605 8.4708 8.5691 8.5691 8.5699 9.2863 9.2999 9.2999 9.4454 11.0352 11.0352 11.8495 11.8495 11.8616 11.9374 13.4656 13.4656 13.4932 13.4964 14.7020 14.7020 17.0862 17.0862 k = 0.2955 0.1706 0.1206 ( 3266 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3544 -36.3544 -36.3541 -36.3541 -9.1929 -9.1929 -9.1904 -9.1869 -8.1942 -8.1942 -8.1497 -8.1497 -8.1493 -8.1453 3.6795 3.6795 8.0576 8.0576 8.4918 8.5909 8.5954 8.5954 9.3132 9.3199 9.3199 9.4743 10.9550 10.9550 11.7899 11.7899 11.8031 11.8804 13.4412 13.4412 13.4712 13.4743 14.5875 14.5875 17.1090 17.1090 k = 0.3068 0.1771 0.1253 ( 3272 PWs) bands (ev): -71.9943 -71.9943 -40.8207 -40.8207 -36.3545 -36.3545 -36.3542 -36.3542 -9.1932 -9.1932 -9.1903 -9.1870 -8.1945 -8.1945 -8.1498 -8.1498 -8.1493 -8.1454 3.7265 3.7265 8.0553 8.0553 8.5128 8.6113 8.6217 8.6217 9.3399 9.3399 9.3413 9.5036 10.8762 10.8762 11.7300 11.7300 11.7436 11.8222 13.4190 13.4190 13.4518 13.4547 14.4768 14.4768 17.1275 17.1275 k = 0.3182 0.1837 0.1299 ( 3272 PWs) bands (ev): -71.9943 -71.9943 -40.8207 -40.8207 -36.3545 -36.3545 -36.3542 -36.3542 -9.1934 -9.1934 -9.1903 -9.1871 -8.1947 -8.1947 -8.1499 -8.1499 -8.1491 -8.1453 3.7732 3.7732 8.0537 8.0537 8.5338 8.6310 8.6480 8.6480 9.3598 9.3598 9.3704 9.5332 10.7994 10.7994 11.6701 11.6701 11.6836 11.7632 13.3988 13.3988 13.4349 13.4375 14.3705 14.3705 17.1421 17.1421 k = 0.3295 0.1903 0.1345 ( 3263 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3545 -36.3545 -36.3542 -36.3542 -9.1935 -9.1935 -9.1902 -9.1870 -8.1948 -8.1948 -8.1498 -8.1498 -8.1489 -8.1452 3.8193 3.8193 8.0526 8.0526 8.5546 8.6499 8.6740 8.6740 9.3795 9.3795 9.4007 9.5630 10.7248 10.7248 11.6106 11.6106 11.6236 11.7040 13.3804 13.3804 13.4201 13.4224 14.2689 14.2689 17.1533 17.1533 k = 0.3409 0.1968 0.1392 ( 3257 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3545 -36.3545 -36.3542 -36.3542 -9.1937 -9.1937 -9.1900 -9.1870 -8.1949 -8.1949 -8.1498 -8.1498 -8.1486 -8.1451 3.8644 3.8644 8.0522 8.0522 8.5751 8.6679 8.6997 8.6997 9.3987 9.3987 9.4318 9.5928 10.6528 10.6528 11.5520 11.5520 11.5640 11.6447 13.3637 13.3637 13.4073 13.4093 14.1724 14.1724 17.1618 17.1618 k = 0.3523 0.2034 0.1438 ( 3266 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3546 -36.3542 -36.3542 -9.1940 -9.1940 -9.1900 -9.1872 -8.1952 -8.1952 -8.1499 -8.1499 -8.1486 -8.1453 3.9082 3.9082 8.0523 8.0523 8.5951 8.6847 8.7247 8.7247 9.4173 9.4173 9.4636 9.6222 10.5839 10.5839 11.4945 11.4945 11.5052 11.5859 13.3486 13.3486 13.3963 13.3980 14.0814 14.0814 17.1680 17.1680 k = 0.3636 0.2099 0.1485 ( 3266 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3546 -36.3542 -36.3542 -9.1942 -9.1942 -9.1900 -9.1873 -8.1953 -8.1953 -8.1500 -8.1500 -8.1485 -8.1453 3.9506 3.9506 8.0530 8.0530 8.6147 8.7004 8.7491 8.7491 9.4350 9.4350 9.4962 9.6512 10.5185 10.5185 11.4387 11.4387 11.4478 11.5279 13.3348 13.3348 13.3868 13.3882 13.9961 13.9961 17.1723 17.1723 k = 0.3750 0.2165 0.1531 ( 3266 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3546 -36.3542 -36.3542 -9.1944 -9.1944 -9.1899 -9.1874 -8.1955 -8.1955 -8.1500 -8.1500 -8.1483 -8.1454 3.9911 3.9911 8.0542 8.0542 8.6336 8.7148 8.7726 8.7726 9.4518 9.4518 9.5292 9.6795 10.4571 10.4571 11.3850 11.3850 11.3921 11.4712 13.3223 13.3223 13.3788 13.3798 13.9170 13.9170 17.1750 17.1750 k = 0.3864 0.2231 0.1577 ( 3260 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3546 -36.3542 -36.3542 -9.1944 -9.1944 -9.1898 -9.1874 -8.1956 -8.1956 -8.1500 -8.1500 -8.1481 -8.1454 4.0294 4.0294 8.0558 8.0558 8.6518 8.7278 8.7949 8.7949 9.4673 9.4673 9.5625 9.7068 10.4001 10.4001 11.3336 11.3336 11.3388 11.4162 13.3109 13.3109 13.3719 13.3727 13.8441 13.8441 17.1767 17.1767 k = 0.3977 0.2296 0.1624 ( 3254 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3546 -36.3542 -36.3542 -9.1944 -9.1944 -9.1897 -9.1875 -8.1956 -8.1956 -8.1499 -8.1499 -8.1479 -8.1454 4.0653 4.0653 8.0578 8.0578 8.6691 8.7393 8.8160 8.8160 9.4813 9.4813 9.5958 9.7327 10.3480 10.3480 11.2852 11.2852 11.2884 11.3632 13.3005 13.3005 13.3661 13.3667 13.7779 13.7779 17.1775 17.1775 k = 0.4091 0.2362 0.1670 ( 3254 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3547 -36.3547 -36.3542 -36.3542 -9.1945 -9.1945 -9.1896 -9.1877 -8.1958 -8.1958 -8.1500 -8.1500 -8.1477 -8.1454 4.0984 4.0984 8.0600 8.0600 8.6854 8.7493 8.8355 8.8355 9.4938 9.4938 9.6287 9.7568 10.3010 10.3010 11.2401 11.2401 11.2415 11.3128 13.2911 13.2911 13.3613 13.3617 13.7184 13.7184 17.1776 17.1776 k = 0.4205 0.2427 0.1716 ( 3263 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3547 -36.3547 -36.3542 -36.3542 -9.1948 -9.1948 -9.1896 -9.1879 -8.1959 -8.1959 -8.1501 -8.1501 -8.1476 -8.1456 4.1284 4.1284 8.0623 8.0623 8.7006 8.7577 8.8534 8.8534 9.5042 9.5042 9.6608 9.7784 10.2596 10.2596 11.1987 11.1987 11.1987 11.2654 13.2826 13.2826 13.3573 13.3575 13.6658 13.6658 17.1773 17.1773 k = 0.4318 0.2493 0.1763 ( 3262 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3547 -36.3547 -36.3542 -36.3542 -9.1948 -9.1948 -9.1895 -9.1880 -8.1960 -8.1960 -8.1501 -8.1501 -8.1475 -8.1457 4.1551 4.1551 8.0647 8.0647 8.7146 8.7645 8.8694 8.8694 9.5128 9.5128 9.6918 9.7972 10.2240 10.2240 11.1608 11.1616 11.1616 11.2217 13.2750 13.2750 13.3540 13.3542 13.6203 13.6203 17.1768 17.1768 k = 0.4432 0.2559 0.1809 ( 3253 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3547 -36.3547 -36.3542 -36.3542 -9.1949 -9.1949 -9.1892 -9.1880 -8.1960 -8.1960 -8.1500 -8.1500 -8.1472 -8.1457 4.1781 4.1781 8.0669 8.0669 8.7274 8.7697 8.8834 8.8834 9.5195 9.5195 9.7213 9.8128 10.1944 10.1944 11.1283 11.1291 11.1291 11.1820 13.2683 13.2683 13.3514 13.3514 13.5820 13.5820 17.1761 17.1761 k = 0.4545 0.2624 0.1856 ( 3256 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3547 -36.3547 -36.3542 -36.3542 -9.1950 -9.1950 -9.1891 -9.1881 -8.1962 -8.1962 -8.1500 -8.1500 -8.1470 -8.1459 4.1973 4.1973 8.0689 8.0689 8.7389 8.7730 8.8951 8.8951 9.5245 9.5245 9.7484 9.8243 10.1705 10.1705 11.1018 11.1018 11.1019 11.1472 13.2625 13.2625 13.3493 13.3493 13.5507 13.5507 17.1755 17.1755 k = 0.4659 0.2690 0.1902 ( 3256 PWs) bands (ev): -71.9942 -71.9942 -40.8208 -40.8208 -36.3547 -36.3547 -36.3542 -36.3542 -9.1950 -9.1950 -9.1891 -9.1883 -8.1962 -8.1962 -8.1501 -8.1501 -8.1468 -8.1459 4.2124 4.2124 8.0707 8.0707 8.7488 8.7747 8.9043 8.9043 9.5279 9.5279 9.7728 9.8314 10.1524 10.1524 11.0801 11.0801 11.0823 11.1177 13.2578 13.2578 13.3478 13.3478 13.5266 13.5266 17.1749 17.1749 k = 0.4773 0.2756 0.1948 ( 3256 PWs) bands (ev): -71.9942 -71.9942 -40.8208 -40.8208 -36.3547 -36.3547 -36.3542 -36.3542 -9.1950 -9.1950 -9.1889 -9.1884 -8.1963 -8.1963 -8.1501 -8.1501 -8.1467 -8.1461 4.2234 4.2234 8.0720 8.0720 8.7572 8.7746 8.9110 8.9110 9.5300 9.5300 9.7938 9.8337 10.1397 10.1397 11.0643 11.0643 11.0698 11.0941 13.2542 13.2542 13.3467 13.3467 13.5095 13.5095 17.1744 17.1744 k = 0.4886 0.2821 0.1995 ( 3274 PWs) bands (ev): -71.9943 -71.9943 -40.8208 -40.8208 -36.3547 -36.3547 -36.3543 -36.3543 -9.1953 -9.1953 -9.1890 -9.1887 -8.1964 -8.1964 -8.1502 -8.1502 -8.1468 -8.1465 4.2300 4.2300 8.0728 8.0728 8.7640 8.7727 8.9151 8.9151 9.5310 9.5310 9.8107 9.8309 10.1322 10.1322 11.0547 11.0547 11.0648 11.0772 13.2520 13.2520 13.3460 13.3460 13.4993 13.4993 17.1741 17.1741 k = 0.5000 0.2887 0.2041 ( 3274 PWs) bands (ev): -71.9943 -71.9943 -40.8208 -40.8208 -36.3547 -36.3547 -36.3543 -36.3543 -9.1953 -9.1953 -9.1889 -9.1889 -8.1964 -8.1964 -8.1502 -8.1502 -8.1466 -8.1466 4.2322 4.2322 8.0731 8.0731 8.7692 8.7692 8.9164 8.9164 9.5314 9.5314 9.8232 9.8232 10.1298 10.1298 11.0515 11.0515 11.0673 11.0673 13.2513 13.2513 13.3458 13.3458 13.4960 13.4960 17.1740 17.1740 k = 0.5000 0.2887 0.2041 ( 3274 PWs) bands (ev): -71.9943 -71.9943 -40.8208 -40.8208 -36.3547 -36.3547 -36.3543 -36.3543 -9.1953 -9.1953 -9.1889 -9.1889 -8.1964 -8.1964 -8.1502 -8.1502 -8.1466 -8.1466 4.2322 4.2322 8.0731 8.0731 8.7692 8.7692 8.9164 8.9164 9.5314 9.5314 9.8232 9.8232 10.1298 10.1298 11.0515 11.0515 11.0673 11.0673 13.2513 13.2513 13.3458 13.3458 13.4960 13.4960 17.1740 17.1740 k = 0.5040 0.2770 0.2107 ( 3270 PWs) bands (ev): -71.9942 -71.9942 -40.8208 -40.8208 -36.3547 -36.3547 -36.3542 -36.3542 -9.1953 -9.1952 -9.1888 -9.1888 -8.1964 -8.1963 -8.1502 -8.1502 -8.1466 -8.1466 4.2324 4.2334 8.0733 8.0746 8.7691 8.7691 8.9155 8.9172 9.5307 9.5317 9.8231 9.8231 10.1272 10.1292 11.0506 11.0525 11.0674 11.0675 13.2442 13.2582 13.3457 13.3458 13.4902 13.5041 17.1715 17.1759 k = 0.5081 0.2654 0.2173 ( 3254 PWs) bands (ev): -71.9942 -71.9942 -40.8208 -40.8207 -36.3547 -36.3547 -36.3542 -36.3542 -9.1952 -9.1950 -9.1886 -9.1886 -8.1964 -8.1962 -8.1501 -8.1500 -8.1464 -8.1464 4.2339 4.2359 8.0753 8.0778 8.7688 8.7689 8.9144 8.9179 9.5297 9.5319 9.8230 9.8231 10.1214 10.1255 11.0494 11.0535 11.0680 11.0684 13.2370 13.2648 13.3451 13.3456 13.4875 13.5144 17.1675 17.1763 k = 0.5121 0.2538 0.2239 ( 3253 PWs) bands (ev): -71.9942 -71.9942 -40.8208 -40.8207 -36.3547 -36.3547 -36.3542 -36.3542 -9.1953 -9.1949 -9.1886 -9.1886 -8.1964 -8.1961 -8.1502 -8.1500 -8.1463 -8.1463 4.2368 4.2398 8.0791 8.0826 8.7679 8.7684 8.9130 8.9186 9.5282 9.5316 9.8227 9.8228 10.1124 10.1188 11.0475 11.0540 11.0695 11.0704 13.2299 13.2706 13.3437 13.3454 13.4881 13.5267 17.1594 17.1716 k = 0.5161 0.2421 0.2305 ( 3257 PWs) bands (ev): -71.9942 -71.9942 -40.8208 -40.8207 -36.3547 -36.3547 -36.3542 -36.3542 -9.1954 -9.1949 -9.1887 -9.1887 -8.1965 -8.1961 -8.1503 -8.1501 -8.1464 -8.1464 4.2411 4.2450 8.0844 8.0891 8.7664 8.7675 8.9116 8.9197 9.5262 9.5311 9.8222 9.8225 10.1002 10.1094 11.0445 11.0531 11.0727 11.0738 13.2229 13.2755 13.3411 13.3453 13.4928 13.5409 17.1431 17.1562 k = 0.5202 0.2305 0.2370 ( 3257 PWs) bands (ev): -71.9942 -71.9942 -40.8208 -40.8207 -36.3547 -36.3547 -36.3542 -36.3542 -9.1955 -9.1948 -9.1887 -9.1887 -8.1966 -8.1961 -8.1503 -8.1501 -8.1464 -8.1463 4.2466 4.2515 8.0914 8.0970 8.7639 8.7661 8.9105 8.9215 9.5236 9.5303 9.8217 9.8223 10.0851 10.0976 11.0403 11.0505 11.0777 11.0788 13.2159 13.2792 13.3371 13.3451 13.5018 13.5569 17.1147 17.1244 k = 0.5242 0.2188 0.2436 ( 3256 PWs) bands (ev): -71.9942 -71.9942 -40.8208 -40.8207 -36.3547 -36.3547 -36.3543 -36.3543 -9.1956 -9.1948 -9.1887 -9.1887 -8.1966 -8.1960 -8.1504 -8.1501 -8.1464 -8.1463 4.2534 4.2593 8.0998 8.1062 8.7604 8.7639 8.9100 8.9244 9.5203 9.5292 9.8211 9.8222 10.0672 10.0837 11.0348 11.0464 11.0844 11.0853 13.2088 13.2816 13.3316 13.3448 13.5152 13.5747 17.0720 17.0750 k = 0.5282 0.2072 0.2502 ( 3258 PWs) bands (ev): -71.9942 -71.9942 -40.8208 -40.8207 -36.3547 -36.3547 -36.3543 -36.3543 -9.1957 -9.1947 -9.1888 -9.1888 -8.1967 -8.1961 -8.1505 -8.1501 -8.1463 -8.1462 4.2614 4.2683 8.1096 8.1166 8.7556 8.7606 8.9103 8.9287 9.5164 9.5279 9.8205 9.8226 10.0467 10.0683 11.0280 11.0409 11.0925 11.0931 13.2014 13.2822 13.3250 13.3446 13.5328 13.5944 17.0110 17.0155 k = 0.5323 0.1956 0.2568 ( 3258 PWs) bands (ev): -71.9942 -71.9942 -40.8208 -40.8207 -36.3547 -36.3547 -36.3543 -36.3543 -9.1958 -9.1947 -9.1889 -9.1889 -8.1968 -8.1961 -8.1506 -8.1501 -8.1463 -8.1462 4.2707 4.2784 8.1205 8.1279 8.7495 8.7561 8.9119 8.9345 9.5115 9.5263 9.8197 9.8234 10.0240 10.0518 11.0199 11.0340 11.1018 11.1021 13.1934 13.2806 13.3183 13.3443 13.5541 13.6160 16.9359 16.9473 k = 0.5363 0.1839 0.2634 ( 3256 PWs) bands (ev): -71.9942 -71.9942 -40.8208 -40.8207 -36.3547 -36.3547 -36.3543 -36.3543 -9.1958 -9.1946 -9.1889 -9.1889 -8.1969 -8.1960 -8.1507 -8.1501 -8.1463 -8.1461 4.2810 4.2897 8.1323 8.1398 8.7422 8.7504 8.9149 8.9419 9.5057 9.5242 9.8187 9.8250 9.9993 10.0349 11.0106 11.0257 11.1123 11.1124 13.1848 13.2755 13.3127 13.3440 13.5787 13.6393 16.8528 16.8698 k = 0.5403 0.1723 0.2700 ( 3254 PWs) bands (ev): -71.9942 -71.9942 -40.8208 -40.8207 -36.3547 -36.3547 -36.3543 -36.3543 -9.1959 -9.1946 -9.1889 -9.1889 -8.1970 -8.1960 -8.1508 -8.1501 -8.1463 -8.1460 4.2925 4.3020 8.1448 8.1521 8.7340 8.7435 8.9196 8.9511 9.4989 9.5218 9.8172 9.8277 9.9729 10.0186 10.9998 11.0159 11.1235 11.1241 13.1754 13.2666 13.3089 13.3438 13.6062 13.6644 16.7641 16.7853 k = 0.5444 0.1606 0.2766 ( 3254 PWs) bands (ev): -71.9942 -71.9942 -40.8208 -40.8207 -36.3547 -36.3547 -36.3543 -36.3543 -9.1960 -9.1945 -9.1890 -9.1890 -8.1971 -8.1961 -8.1509 -8.1500 -8.1463 -8.1459 4.3049 4.3153 8.1575 8.1642 8.7251 8.7357 8.9259 8.9619 9.4908 9.5189 9.8148 9.8315 9.9451 10.0038 10.9876 11.0046 11.1357 11.1368 13.1649 13.2540 13.3069 13.3436 13.6361 13.6912 16.6713 16.6958 k = 0.5484 0.1490 0.2831 ( 3258 PWs) bands (ev): -71.9942 -71.9942 -40.8208 -40.8207 -36.3547 -36.3546 -36.3543 -36.3543 -9.1961 -9.1945 -9.1891 -9.1891 -8.1973 -8.1961 -8.1511 -8.1501 -8.1463 -8.1458 4.3182 4.3295 8.1701 8.1759 8.7161 8.7274 8.9336 8.9742 9.4813 9.5154 9.8109 9.8368 9.9163 9.9917 10.9739 10.9918 11.1488 11.1504 13.1532 13.2388 13.3059 13.3435 13.6680 13.7194 16.5761 16.6028 k = 0.5524 0.1374 0.2897 ( 3262 PWs) bands (ev): -71.9942 -71.9942 -40.8208 -40.8207 -36.3547 -36.3546 -36.3543 -36.3543 -9.1962 -9.1945 -9.1893 -9.1892 -8.1974 -8.1962 -8.1513 -8.1501 -8.1464 -8.1458 4.3324 4.3445 8.1822 8.1864 8.7073 8.7190 8.9428 8.9879 9.4705 9.5111 9.8048 9.8437 9.8871 9.9835 10.9587 10.9773 11.1627 11.1648 13.1403 13.2216 13.3056 13.3436 13.7016 13.7489 16.4795 16.5079 k = 0.5565 0.1257 0.2963 ( 3256 PWs) bands (ev): -71.9942 -71.9942 -40.8208 -40.8207 -36.3547 -36.3546 -36.3543 -36.3543 -9.1962 -9.1944 -9.1893 -9.1892 -8.1975 -8.1961 -8.1513 -8.1500 -8.1464 -8.1456 4.3473 4.3602 8.1930 8.1953 8.6996 8.7113 8.9534 9.0031 9.4582 9.5062 9.7961 9.8486 9.8617 9.9802 10.9420 10.9613 11.1774 11.1801 13.1262 13.2027 13.3056 13.3439 13.7364 13.7795 16.3826 16.4122 k = 0.5605 0.1141 0.3029 ( 3256 PWs) bands (ev): -71.9942 -71.9942 -40.8208 -40.8207 -36.3547 -36.3546 -36.3543 -36.3543 -9.1963 -9.1944 -9.1894 -9.1893 -8.1976 -8.1962 -8.1514 -8.1500 -8.1464 -8.1455 4.3628 4.3764 8.2020 8.2021 8.6933 8.7048 8.9649 9.0194 9.4444 9.5004 9.7849 9.8247 9.8674 9.9823 10.9236 10.9437 11.1925 11.1959 13.1107 13.1824 13.3059 13.3445 13.7720 13.8109 16.2863 16.3166 k = 0.5645 0.1024 0.3095 ( 3252 PWs) bands (ev): -71.9942 -71.9942 -40.8208 -40.8207 -36.3547 -36.3546 -36.3543 -36.3543 -9.1963 -9.1944 -9.1894 -9.1893 -8.1976 -8.1961 -8.1515 -8.1499 -8.1464 -8.1454 4.3788 4.3932 8.2058 8.2088 8.6890 8.7002 8.9774 9.0368 9.4292 9.4937 9.7716 9.7952 9.8818 9.9898 10.9037 10.9245 11.2082 11.2123 13.0941 13.1610 13.3064 13.3454 13.8082 13.8428 16.1913 16.2222 k = 0.5685 0.0908 0.3161 ( 3252 PWs) bands (ev): -71.9942 -71.9942 -40.8208 -40.8207 -36.3546 -36.3546 -36.3543 -36.3543 -9.1964 -9.1944 -9.1895 -9.1893 -8.1977 -8.1962 -8.1516 -8.1498 -8.1465 -8.1453 4.3953 4.4103 8.2063 8.2124 8.6872 8.6982 8.9907 9.0551 9.4128 9.4860 9.7570 9.7659 9.8995 10.0022 10.8821 10.9037 11.2242 11.2291 13.0763 13.1386 13.3073 13.3467 13.8443 13.8748 16.0983 16.1295 k = 0.5726 0.0792 0.3226 ( 3252 PWs) bands (ev): -71.9942 -71.9942 -40.8208 -40.8207 -36.3546 -36.3546 -36.3543 -36.3543 -9.1964 -9.1944 -9.1896 -9.1894 -8.1979 -8.1962 -8.1517 -8.1498 -8.1465 -8.1452 4.4119 4.4276 8.2030 8.2124 8.6883 8.6993 9.0045 9.0742 9.3953 9.4774 9.7372 9.7416 9.9204 10.0193 10.8590 10.8813 11.2405 11.2462 13.0576 13.1156 13.3086 13.3484 13.8801 13.9065 16.0080 16.0395 k = 0.5766 0.0675 0.3292 ( 3252 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3546 -36.3543 -36.3543 -9.1965 -9.1944 -9.1897 -9.1894 -8.1979 -8.1963 -8.1518 -8.1497 -8.1466 -8.1452 4.4288 4.4449 8.1957 8.2084 8.6924 8.7040 9.0186 9.0941 9.3770 9.4680 9.7096 9.7260 9.9447 10.0404 10.8343 10.8575 11.2568 11.2634 13.0382 13.0920 13.3103 13.3507 13.9150 13.9375 15.9209 15.9526 k = 0.5806 0.0559 0.3358 ( 3249 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3546 -36.3543 -36.3543 -9.1965 -9.1943 -9.1898 -9.1895 -8.1980 -8.1963 -8.1519 -8.1496 -8.1466 -8.1451 4.4455 4.4622 8.1845 8.2002 8.6994 8.7123 9.0330 9.1146 9.3583 9.4578 9.6833 9.7108 9.9723 10.0653 10.8082 10.8324 11.2730 11.2805 13.0181 13.0682 13.3126 13.3536 13.9484 13.9671 15.8377 15.8696 k = 0.5847 0.0442 0.3424 ( 3249 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3546 -36.3543 -36.3543 -9.1965 -9.1943 -9.1899 -9.1895 -8.1982 -8.1964 -8.1520 -8.1495 -8.1466 -8.1450 4.4621 4.4793 8.1696 8.1880 8.7091 8.7241 9.0473 9.1355 9.3395 9.4469 9.6584 9.6960 10.0032 10.0937 10.7807 10.8061 11.2890 11.2975 12.9978 13.0443 13.3156 13.3572 13.9798 13.9950 15.7590 15.7911 k = 0.5887 0.0326 0.3490 ( 3249 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3545 -36.3543 -36.3543 -9.1965 -9.1943 -9.1900 -9.1896 -8.1983 -8.1964 -8.1521 -8.1494 -8.1467 -8.1449 4.4784 4.4960 8.1513 8.1719 8.7211 8.7393 9.0612 9.1567 9.3212 9.4355 9.6354 9.6820 10.0372 10.1251 10.7520 10.7789 11.3047 11.3141 12.9774 13.0207 13.3194 13.3617 14.0085 14.0204 15.6854 15.7176 k = 0.5927 0.0210 0.3556 ( 3247 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3545 -36.3543 -36.3543 -9.1965 -9.1943 -9.1901 -9.1896 -8.1983 -8.1964 -8.1522 -8.1493 -8.1468 -8.1448 4.4942 4.5120 8.1300 8.1524 8.7351 8.7575 9.0746 9.1781 9.3039 9.4238 9.6142 9.6688 10.0741 10.1591 10.7225 10.7512 11.3198 11.3302 12.9573 12.9975 13.3243 13.3672 14.0339 14.0427 15.6175 15.6499 k = 0.5968 0.0093 0.3622 ( 3249 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3545 -36.3543 -36.3543 -9.1966 -9.1944 -9.1902 -9.1897 -8.1984 -8.1965 -8.1523 -8.1493 -8.1469 -8.1448 4.5092 4.5274 8.1061 8.1298 8.7507 8.7782 9.0869 9.1994 9.2881 9.4119 9.5951 9.6565 10.1135 10.1951 10.6925 10.7235 11.3342 11.3456 12.9377 12.9752 13.3305 13.3738 14.0552 14.0612 15.5560 15.5885 k = 0.6008-0.0023 0.3687 ( 3249 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3545 -36.3544 -36.3543 -9.1966 -9.1944 -9.1904 -9.1897 -8.1985 -8.1966 -8.1524 -8.1492 -8.1470 -8.1447 4.5235 4.5418 8.0800 8.1046 8.7675 8.8010 9.0978 9.2206 9.2743 9.4003 9.5783 9.6451 10.1545 10.2320 10.6627 10.6969 11.3477 11.3602 12.9190 12.9538 13.3380 13.3819 14.0718 14.0753 15.5015 15.5340 k = 0.6048-0.0140 0.3753 ( 3247 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3545 -36.3544 -36.3543 -9.1966 -9.1944 -9.1904 -9.1897 -8.1985 -8.1966 -8.1524 -8.1490 -8.1470 -8.1447 4.5366 4.5551 8.0520 8.0773 8.7852 8.8256 9.1071 9.2413 9.2632 9.3891 9.5637 9.6347 10.1959 10.2682 10.6343 10.6727 11.3603 11.3737 12.9013 12.9337 13.3472 13.3914 14.0831 14.0845 15.4548 15.4870 k = 0.6089-0.0256 0.3819 ( 3247 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3545 -36.3544 -36.3543 -9.1966 -9.1944 -9.1905 -9.1897 -8.1986 -8.1966 -8.1525 -8.1489 -8.1471 -8.1446 4.5486 4.5671 8.0227 8.0482 8.8034 8.8514 9.1143 9.2553 9.2611 9.3788 9.5516 9.6252 10.2358 10.3014 10.6090 10.6533 11.3718 11.3861 12.8851 12.9152 13.3582 13.4028 14.0883 14.0884 15.4161 15.4480 k = 0.6129-0.0372 0.3885 ( 3250 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3545 -36.3544 -36.3543 -9.1966 -9.1945 -9.1907 -9.1897 -8.1987 -8.1967 -8.1525 -8.1489 -8.1472 -8.1447 4.5591 4.5777 7.9922 8.0176 8.8221 8.8780 9.1195 9.2508 9.2792 9.3702 9.5421 9.6168 10.2706 10.3277 10.5904 10.6425 11.3820 11.3973 12.8704 12.8984 13.3713 13.4160 14.0864 14.0876 15.3859 15.4171 k = 0.6169-0.0489 0.3951 ( 3250 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3545 -36.3544 -36.3543 -9.1965 -9.1946 -9.1908 -9.1897 -8.1987 -8.1968 -8.1525 -8.1488 -8.1472 -8.1447 4.5681 4.5865 7.9608 7.9860 8.8409 8.9049 9.1233 9.2494 9.2940 9.3648 9.5353 9.6094 10.2950 10.3424 10.5835 10.6447 11.3909 11.4070 12.8577 12.8836 13.3867 13.4314 14.0790 14.0808 15.3642 15.3944 k = 0.6210-0.0605 0.4017 ( 3248 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3545 -36.3544 -36.3543 -9.1964 -9.1946 -9.1909 -9.1897 -8.1987 -8.1968 -8.1525 -8.1488 -8.1472 -8.1447 4.5753 4.5935 7.9290 7.9537 8.8597 8.9313 9.1269 9.2507 9.3024 9.3658 9.5314 9.6031 10.3037 10.3428 10.5934 10.6626 11.3986 11.4154 12.8469 12.8709 13.4046 13.4492 14.0664 14.0682 15.3508 15.3796 k = 0.6250-0.0722 0.4082 ( 3258 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3545 -36.3544 -36.3543 -9.1965 -9.1947 -9.1911 -9.1898 -8.1988 -8.1969 -8.1527 -8.1488 -8.1473 -8.1448 4.5805 4.5985 7.8969 7.9209 8.8783 8.9562 9.1316 9.2538 9.3026 9.3746 9.5303 9.5977 10.2956 10.3302 10.6209 10.6946 11.4048 11.4224 12.8383 12.8604 13.4251 13.4695 14.0492 14.0507 15.3451 15.3724 k = 0.6250-0.0722 0.4082 ( 3258 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3545 -36.3544 -36.3543 -9.1965 -9.1947 -9.1911 -9.1898 -8.1988 -8.1969 -8.1527 -8.1488 -8.1473 -8.1448 4.5805 4.5985 7.8969 7.9209 8.8783 8.9562 9.1316 9.2538 9.3026 9.3746 9.5303 9.5977 10.2956 10.3302 10.6209 10.6946 11.4048 11.4224 12.8383 12.8604 13.4251 13.4695 14.0492 14.0507 15.3451 15.3724 k = 0.6181-0.0682 0.4196 ( 3248 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3545 -36.3544 -36.3543 -9.1964 -9.1946 -9.1910 -9.1897 -8.1987 -8.1968 -8.1526 -8.1487 -8.1472 -8.1447 4.5808 4.5988 7.8983 7.9225 8.8744 8.9557 9.1281 9.2523 9.3043 9.3781 9.5312 9.5998 10.2960 10.3314 10.6210 10.6945 11.4020 11.4202 12.8377 12.8600 13.4249 13.4700 14.0485 14.0540 15.3334 15.3611 k = 0.6111-0.0642 0.4309 ( 3252 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3545 -36.3544 -36.3543 -9.1964 -9.1947 -9.1912 -9.1897 -8.1988 -8.1969 -8.1526 -8.1487 -8.1473 -8.1447 4.5815 4.5995 7.9026 7.9272 8.8633 8.9533 9.1188 9.2481 9.3086 9.3871 9.5337 9.6059 10.2973 10.3348 10.6213 10.6942 11.3935 11.4133 12.8357 12.8585 13.4242 13.4714 14.0500 14.0605 15.3022 15.3307 k = 0.6042-0.0601 0.4423 ( 3248 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3545 -36.3544 -36.3543 -9.1963 -9.1946 -9.1912 -9.1895 -8.1988 -8.1968 -8.1526 -8.1486 -8.1472 -8.1447 4.5826 4.6008 7.9098 7.9351 8.8464 8.9472 9.1061 9.2423 9.3148 9.3999 9.5378 9.6159 10.2995 10.3406 10.6218 10.6938 11.3796 11.4018 12.8326 12.8561 13.4231 13.4734 14.0542 14.0696 15.2589 15.2885 k = 0.5972-0.0561 0.4536 ( 3247 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3545 -36.3544 -36.3543 -9.1963 -9.1946 -9.1914 -9.1894 -8.1988 -8.1968 -8.1527 -8.1485 -8.1472 -8.1447 4.5842 4.6025 7.9199 7.9462 8.8250 8.9358 9.0928 9.2358 9.3220 9.4141 9.5431 9.6296 10.3029 10.3485 10.6227 10.6933 11.3607 11.3855 12.8286 12.8529 13.4216 13.4755 14.0613 14.0812 15.2092 15.2399 k = 0.5903-0.0521 0.4649 ( 3251 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3545 -36.3544 -36.3543 -9.1963 -9.1946 -9.1916 -9.1893 -8.1988 -8.1969 -8.1528 -8.1485 -8.1472 -8.1448 4.5862 4.6047 7.9327 7.9602 8.8001 8.9181 9.0808 9.2289 9.3295 9.4283 9.5494 9.6463 10.3075 10.3585 10.6241 10.6928 11.3370 11.3645 12.8239 12.8489 13.4197 13.4773 14.0713 14.0953 15.1565 15.1881 k = 0.5833-0.0481 0.4763 ( 3257 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3545 -36.3544 -36.3543 -9.1964 -9.1947 -9.1919 -9.1893 -8.1989 -8.1969 -8.1529 -8.1485 -8.1472 -8.1449 4.5886 4.6072 7.9484 7.9773 8.7725 8.8944 9.0709 9.2220 9.3371 9.4416 9.5566 9.6653 10.3135 10.3706 10.6264 10.6925 11.3091 11.3390 12.8189 12.8443 13.4173 13.4784 14.0842 14.1119 15.1027 15.1351 k = 0.5764-0.0441 0.4876 ( 3255 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3545 -36.3544 -36.3543 -9.1963 -9.1946 -9.1920 -9.1892 -8.1989 -8.1969 -8.1530 -8.1484 -8.1472 -8.1449 4.5912 4.6101 7.9668 7.9972 8.7425 8.8658 9.0630 9.2151 9.3447 9.4537 9.5642 9.6857 10.3211 10.3846 10.6297 10.6925 11.2773 11.3091 12.8138 12.8394 13.4144 13.4786 14.0999 14.1308 15.0493 15.0822 k = 0.5694-0.0401 0.4990 ( 3255 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3545 -36.3544 -36.3543 -9.1963 -9.1946 -9.1922 -9.1890 -8.1989 -8.1969 -8.1530 -8.1483 -8.1472 -8.1450 4.5942 4.6132 7.9879 8.0200 8.7107 8.8334 9.0564 9.2083 9.3519 9.4645 9.5720 9.7066 10.3303 10.4004 10.6345 10.6930 11.2419 11.2753 12.8088 12.8342 13.4110 13.4778 14.1182 14.1517 14.9972 15.0303 k = 0.5625-0.0361 0.5103 ( 3255 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3545 -36.3544 -36.3543 -9.1962 -9.1946 -9.1924 -9.1890 -8.1989 -8.1969 -8.1531 -8.1483 -8.1471 -8.1451 4.5973 4.6165 8.0116 8.0455 8.6773 8.7981 9.0506 9.2017 9.3589 9.4740 9.5797 9.7270 10.3411 10.4180 10.6411 10.6944 11.2035 11.2377 12.8039 12.8290 13.4071 13.4759 14.1386 14.1744 14.9470 14.9801 k = 0.5556-0.0321 0.5217 ( 3251 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3545 -36.3544 -36.3544 -9.1962 -9.1945 -9.1925 -9.1888 -8.1989 -8.1968 -8.1531 -8.1482 -8.1470 -8.1451 4.6005 4.6200 8.0378 8.0735 8.6424 8.7609 9.0453 9.1953 9.3655 9.4823 9.5869 9.7463 10.3534 10.4369 10.6499 10.6968 11.1625 11.1969 12.7994 12.8240 13.4029 13.4732 14.1605 14.1983 14.8996 14.9321 k = 0.5486-0.0281 0.5330 ( 3251 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3545 -36.3544 -36.3544 -9.1962 -9.1945 -9.1927 -9.1887 -8.1989 -8.1968 -8.1532 -8.1481 -8.1470 -8.1452 4.6037 4.6234 8.0664 8.1039 8.6064 8.7222 9.0403 9.1892 9.3717 9.4896 9.5933 9.7638 10.3671 10.4569 10.6611 10.7006 11.1196 11.1533 12.7953 12.8194 13.3986 13.4698 14.1833 14.2229 14.8554 14.8868 k = 0.5417-0.0241 0.5443 ( 3259 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3545 -36.3545 -36.3544 -36.3544 -9.1962 -9.1946 -9.1929 -9.1888 -8.1990 -8.1969 -8.1533 -8.1481 -8.1470 -8.1454 4.6069 4.6268 8.0974 8.1364 8.5692 8.6826 9.0356 9.1834 9.3774 9.4959 9.5987 9.7791 10.3818 10.4773 10.6751 10.7063 11.0755 11.1073 12.7916 12.8151 13.3943 13.4661 14.2062 14.2474 14.8151 14.8447 k = 0.5347-0.0200 0.5557 ( 3256 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3545 -36.3544 -36.3544 -36.3544 -9.1962 -9.1945 -9.1930 -9.1887 -8.1990 -8.1968 -8.1533 -8.1480 -8.1469 -8.1454 4.6099 4.6300 8.1305 8.1707 8.5311 8.6424 9.0313 9.1782 9.3826 9.5013 9.6031 9.7920 10.3974 10.4975 10.6918 10.7147 11.0309 11.0596 12.7884 12.8114 13.3902 13.4623 14.2282 14.2709 14.7795 14.8066 k = 0.5278-0.0160 0.5670 ( 3259 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3545 -36.3544 -36.3544 -36.3544 -9.1962 -9.1945 -9.1931 -9.1887 -8.1991 -8.1969 -8.1534 -8.1480 -8.1469 -8.1455 4.6126 4.6329 8.1656 8.2062 8.4921 8.6022 9.0275 9.1735 9.3871 9.5057 9.6065 9.8022 10.4131 10.5165 10.7108 10.7269 10.9869 11.0109 12.7857 12.8084 13.3867 13.4586 14.2482 14.2923 14.7495 14.7732 k = 0.5208-0.0120 0.5784 ( 3256 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3545 -36.3544 -36.3544 -36.3544 -9.1961 -9.1945 -9.1932 -9.1886 -8.1991 -8.1968 -8.1534 -8.1480 -8.1468 -8.1456 4.6149 4.6354 8.2025 8.2419 8.4524 8.5630 9.0243 9.1697 9.3909 9.5092 9.6088 9.8099 10.4283 10.5331 10.7305 10.7446 10.9447 10.9622 12.7835 12.8060 13.3838 13.4555 14.2650 14.3105 14.7258 14.7454 k = 0.5139-0.0080 0.5897 ( 3256 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3545 -36.3544 -36.3544 -36.3544 -9.1961 -9.1945 -9.1932 -9.1886 -8.1991 -8.1968 -8.1534 -8.1479 -8.1468 -8.1456 4.6167 4.6373 8.2406 8.2758 8.4123 8.5268 9.0218 9.1667 9.3938 9.5117 9.6103 9.8152 10.4418 10.5460 10.7507 10.7677 10.9046 10.9166 12.7819 12.8043 13.3816 13.4530 14.2776 14.3243 14.7094 14.7242 k = 0.5069-0.0040 0.6010 ( 3256 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3545 -36.3544 -36.3544 -36.3544 -9.1961 -9.1945 -9.1932 -9.1886 -8.1991 -8.1968 -8.1534 -8.1479 -8.1468 -8.1456 4.6179 4.6386 8.2789 8.3032 8.3729 8.4981 9.0202 9.1648 9.3956 9.5132 9.6111 9.8182 10.4520 10.5541 10.7721 10.7918 10.8647 10.8829 12.7809 12.8033 13.3803 13.4515 14.2851 14.3327 14.7004 14.7107 k = 0.5000 0.0000 0.6124 ( 3248 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3545 -36.3544 -36.3544 -36.3544 -9.1960 -9.1944 -9.1932 -9.1885 -8.1990 -8.1967 -8.1534 -8.1479 -8.1467 -8.1455 4.6184 4.6390 8.3048 8.3148 8.3467 8.4862 9.0196 9.1642 9.3962 9.5137 9.6113 9.8192 10.4562 10.5568 10.7890 10.8008 10.8429 10.8688 12.7806 12.8029 13.3799 13.4509 14.2875 14.3354 14.6978 14.7060 k = 0.5000 0.0000 0.6124 ( 3248 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3545 -36.3544 -36.3544 -36.3544 -9.1960 -9.1944 -9.1932 -9.1885 -8.1990 -8.1967 -8.1534 -8.1479 -8.1467 -8.1455 4.6184 4.6390 8.3048 8.3148 8.3467 8.4862 9.0196 9.1642 9.3962 9.5137 9.6113 9.8192 10.4562 10.5568 10.7890 10.8008 10.8429 10.8688 12.7806 12.8029 13.3799 13.4509 14.2875 14.3354 14.6978 14.7060 k = 0.5000 0.0080 0.6010 ( 3258 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3545 -36.3544 -36.3544 -36.3544 -9.1961 -9.1945 -9.1933 -9.1886 -8.1991 -8.1968 -8.1534 -8.1479 -8.1468 -8.1456 4.6175 4.6382 8.3049 8.3157 8.3471 8.4862 9.0202 9.1649 9.3961 9.5137 9.6108 9.8174 10.4525 10.5568 10.7552 10.7923 10.8664 10.8907 12.7815 12.8038 13.3799 13.4513 14.2839 14.3313 14.7026 14.7145 k = 0.5000 0.0160 0.5897 ( 3258 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3545 -36.3544 -36.3544 -36.3544 -9.1961 -9.1945 -9.1932 -9.1886 -8.1991 -8.1968 -8.1534 -8.1480 -8.1467 -8.1456 4.6150 4.6356 8.3053 8.3182 8.3482 8.4864 9.0222 9.1673 9.3958 9.5136 9.6096 9.8126 10.4411 10.5564 10.7099 10.7678 10.9087 10.9288 12.7841 12.8065 13.3800 13.4522 14.2738 14.3197 14.7186 14.7369 k = 0.5000 0.0241 0.5784 ( 3258 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3545 -36.3544 -36.3544 -36.3544 -9.1962 -9.1945 -9.1931 -9.1886 -8.1991 -8.1968 -8.1534 -8.1481 -8.1467 -8.1456 4.6108 4.6313 8.3060 8.3220 8.3504 8.4869 9.0253 9.1711 9.3952 9.5134 9.6079 9.8048 10.4214 10.5521 10.6684 10.7476 10.9517 10.9691 12.7885 12.8110 13.3801 13.4536 14.2584 14.3021 14.7460 14.7702 k = 0.5000 0.0321 0.5670 ( 3256 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3545 -36.3544 -36.3544 -36.3544 -9.1962 -9.1944 -9.1930 -9.1886 -8.1990 -8.1968 -8.1533 -8.1482 -8.1466 -8.1456 4.6049 4.6255 8.3066 8.3264 8.3541 8.4878 9.0294 9.1765 9.3940 9.5128 9.6061 9.7944 10.3934 10.5356 10.6412 10.7351 10.9928 11.0085 12.7946 12.8173 13.3804 13.4553 14.2390 14.2804 14.7835 14.8125 k = 0.5000 0.0401 0.5557 ( 3258 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3545 -36.3545 -36.3544 -36.3544 -9.1963 -9.1944 -9.1930 -9.1886 -8.1990 -8.1968 -8.1533 -8.1483 -8.1466 -8.1456 4.5976 4.6180 8.3071 8.3309 8.3599 8.4894 9.0342 9.1834 9.3919 9.5117 9.6049 9.7820 10.3586 10.5013 10.6345 10.7303 11.0313 11.0454 12.8025 12.8255 13.3808 13.4573 14.2168 14.2560 14.8297 14.8624 k = 0.5000 0.0481 0.5443 ( 3258 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3545 -36.3544 -36.3544 -9.1963 -9.1944 -9.1928 -9.1886 -8.1990 -8.1968 -8.1532 -8.1484 -8.1465 -8.1456 4.5887 4.6090 8.3070 8.3346 8.3681 8.4920 9.0394 9.1916 9.3887 9.5100 9.6049 9.7682 10.3190 10.4566 10.6412 10.7320 11.0666 11.0791 12.8122 12.8355 13.3812 13.4592 14.1926 14.2299 14.8836 14.9190 k = 0.5000 0.0561 0.5330 ( 3254 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3545 -36.3544 -36.3544 -9.1963 -9.1943 -9.1926 -9.1886 -8.1989 -8.1967 -8.1531 -8.1485 -8.1464 -8.1456 4.5785 4.5986 8.3063 8.3372 8.3787 8.4960 9.0446 9.2011 9.3838 9.5077 9.6065 9.7537 10.2769 10.4085 10.6545 10.7387 11.0983 11.1090 12.8237 12.8475 13.3818 13.4610 14.1670 14.2026 14.9444 14.9816 k = 0.5000 0.0642 0.5217 ( 3254 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3545 -36.3544 -36.3544 -9.1964 -9.1943 -9.1924 -9.1886 -8.1988 -8.1967 -8.1531 -8.1486 -8.1463 -8.1456 4.5670 4.5870 8.3049 8.3384 8.3915 8.5017 9.0494 9.2116 9.3769 9.5051 9.6100 9.7394 10.2338 10.3600 10.6714 10.7491 11.1261 11.1350 12.8368 12.8613 13.3822 13.4624 14.1402 14.1746 15.0115 15.0500 k = 0.5000 0.0722 0.5103 ( 3262 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3545 -36.3544 -36.3544 -9.1965 -9.1944 -9.1923 -9.1888 -8.1988 -8.1967 -8.1531 -8.1488 -8.1463 -8.1457 4.5544 4.5741 8.3026 8.3381 8.4061 8.5093 9.0532 9.2229 9.3679 9.5025 9.6154 9.7262 10.1911 10.3125 10.6905 10.7623 11.1499 11.1568 12.8515 12.8769 13.3825 13.4633 14.1124 14.1460 15.0846 15.1238 k = 0.5000 0.0802 0.4990 ( 3258 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3545 -36.3544 -36.3544 -9.1965 -9.1943 -9.1921 -9.1887 -8.1987 -8.1966 -8.1530 -8.1489 -8.1463 -8.1456 4.5407 4.5601 8.2996 8.3362 8.4222 8.5188 9.0555 9.2342 9.3571 9.5000 9.6229 9.7151 10.1497 10.2669 10.7109 10.7774 11.1696 11.1746 12.8678 12.8943 13.3825 13.4635 14.0838 14.1171 15.1631 15.2027 k = 0.5000 0.0882 0.4876 ( 3250 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3545 -36.3544 -36.3543 -9.1964 -9.1942 -9.1918 -9.1887 -8.1985 -8.1965 -8.1527 -8.1490 -8.1461 -8.1456 4.5262 4.5453 8.2958 8.3326 8.4396 8.5304 9.0559 9.2442 9.3458 9.4979 9.6323 9.7070 10.1105 10.2237 10.7322 10.7940 11.1850 11.1886 12.8853 12.9133 13.3821 13.4630 14.0544 14.0879 15.2468 15.2865 k = 0.5000 0.0962 0.4763 ( 3254 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3545 -36.3544 -36.3543 -9.1965 -9.1943 -9.1916 -9.1887 -8.1985 -8.1965 -8.1527 -8.1491 -8.1461 -8.1456 4.5109 4.5296 8.2912 8.3272 8.4580 8.5436 9.0540 9.2499 9.3368 9.4960 9.6436 9.7024 10.0737 10.1832 10.7539 10.8115 11.1959 11.1995 12.9040 12.9337 13.3812 13.4616 14.0243 14.0584 15.3353 15.3750 k = 0.5000 0.1042 0.4649 ( 3252 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3545 -36.3543 -36.3543 -9.1964 -9.1943 -9.1914 -9.1887 -8.1984 -8.1964 -8.1525 -8.1492 -8.1461 -8.1455 4.4949 4.5133 8.2858 8.3203 8.4772 8.5583 9.0496 9.2470 9.3347 9.4947 9.6570 9.7016 10.0396 10.1458 10.7758 10.8295 11.2026 11.2074 12.9237 12.9554 13.3795 13.4594 13.9936 14.0288 15.4282 15.4679 k = 0.5000 0.1123 0.4536 ( 3262 PWs) bands (ev): -71.9942 -71.9942 -40.8208 -40.8207 -36.3546 -36.3545 -36.3543 -36.3543 -9.1965 -9.1944 -9.1913 -9.1889 -8.1984 -8.1965 -8.1525 -8.1494 -8.1462 -8.1456 4.4785 4.4964 8.2794 8.3119 8.4970 8.5742 9.0427 9.2338 9.3411 9.4939 9.6722 9.7046 10.0084 10.1116 10.7975 10.8478 11.2057 11.2122 12.9440 12.9782 13.3771 13.4563 13.9624 13.9990 15.5249 15.5647 k = 0.5000 0.1203 0.4423 ( 3254 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3546 -36.3543 -36.3543 -9.1964 -9.1944 -9.1910 -9.1888 -8.1982 -8.1964 -8.1523 -8.1495 -8.1461 -8.1456 4.4618 4.4792 8.2723 8.3023 8.5173 8.5909 9.0336 9.2134 9.3536 9.4939 9.6896 9.7109 9.9801 10.0809 10.8190 10.8662 11.2057 11.2142 12.9650 13.0019 13.3739 13.4522 13.9308 13.9691 15.6252 15.6651 k = 0.5000 0.1283 0.4309 ( 3254 PWs) bands (ev): -71.9942 -71.9942 -40.8208 -40.8207 -36.3546 -36.3546 -36.3543 -36.3543 -9.1965 -9.1943 -9.1907 -9.1888 -8.1981 -8.1963 -8.1522 -8.1495 -8.1461 -8.1456 4.4448 4.4617 8.2642 8.2914 8.5379 8.6082 9.0226 9.1890 9.3688 9.4947 9.7088 9.7203 9.9548 10.0538 10.8399 10.8843 11.2032 11.2134 12.9862 13.0262 13.3699 13.4474 13.8988 13.9392 15.7284 15.7687 k = 0.5000 0.1363 0.4196 ( 3248 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3546 -36.3543 -36.3543 -9.1964 -9.1943 -9.1904 -9.1887 -8.1979 -8.1962 -8.1520 -8.1496 -8.1461 -8.1456 4.4278 4.4441 8.2552 8.2796 8.5586 8.6258 9.0101 9.1628 9.3852 9.4963 9.7277 9.7341 9.9323 10.0305 10.8602 10.9020 11.1984 11.2103 13.0074 13.0509 13.3652 13.4417 13.8667 13.9094 15.8341 15.8748 k = 0.5000 0.1443 0.4082 ( 3252 PWs) bands (ev): -71.9942 -71.9942 -40.8208 -40.8207 -36.3546 -36.3546 -36.3543 -36.3543 -9.1964 -9.1944 -9.1903 -9.1888 -8.1978 -8.1962 -8.1519 -8.1497 -8.1461 -8.1456 4.4108 4.4265 8.2453 8.2668 8.5791 8.6432 8.9966 9.1357 9.4017 9.4986 9.7420 9.7555 9.9125 10.0112 10.8797 10.9192 11.1917 11.2052 13.0285 13.0757 13.3598 13.4353 13.8344 13.8797 15.9417 15.9828 k = 0.5000 0.1524 0.3969 ( 3252 PWs) bands (ev): -71.9942 -71.9942 -40.8208 -40.8207 -36.3546 -36.3546 -36.3543 -36.3543 -9.1963 -9.1944 -9.1901 -9.1888 -8.1977 -8.1962 -8.1517 -8.1498 -8.1461 -8.1457 4.3941 4.4091 8.2346 8.2534 8.5994 8.6604 8.9828 9.1089 9.4179 9.5014 9.7555 9.7801 9.8953 9.9960 10.8983 10.9357 11.1836 11.1983 13.0493 13.1005 13.3538 13.4283 13.8023 13.8502 16.0506 16.0921 k = 0.5000 0.1604 0.3856 ( 3254 PWs) bands (ev): -71.9942 -71.9942 -40.8208 -40.8207 -36.3547 -36.3546 -36.3543 -36.3543 -9.1963 -9.1944 -9.1899 -9.1888 -8.1976 -8.1962 -8.1516 -8.1498 -8.1461 -8.1457 4.3777 4.3920 8.2231 8.2394 8.6193 8.6771 8.9691 9.0828 9.4332 9.5045 9.7687 9.8060 9.8808 9.9854 10.9160 10.9513 11.1743 11.1900 13.0695 13.1250 13.3475 13.4208 13.7703 13.8210 16.1601 16.2016 k = 0.5000 0.1684 0.3742 ( 3256 PWs) bands (ev): -71.9942 -71.9942 -40.8208 -40.8207 -36.3547 -36.3546 -36.3543 -36.3543 -9.1963 -9.1944 -9.1898 -9.1888 -8.1975 -8.1961 -8.1515 -8.1499 -8.1461 -8.1458 4.3617 4.3753 8.2108 8.2250 8.6386 8.6929 8.9560 9.0579 9.4475 9.5078 9.7808 9.8320 9.8696 9.9797 10.9327 10.9661 11.1642 11.1806 13.0889 13.1489 13.3409 13.4130 13.7388 13.7923 16.2695 16.3106 k = 0.5000 0.1764 0.3629 ( 3258 PWs) bands (ev): -71.9942 -71.9942 -40.8208 -40.8207 -36.3547 -36.3546 -36.3543 -36.3543 -9.1962 -9.1944 -9.1897 -9.1889 -8.1975 -8.1961 -8.1514 -8.1500 -8.1462 -8.1459 4.3462 4.3591 8.1980 8.2104 8.6571 8.7076 8.9439 9.0347 9.4606 9.5111 9.7914 9.8492 9.8699 9.9790 10.9484 10.9799 11.1535 11.1704 13.1074 13.1721 13.3344 13.4050 13.7079 13.7641 16.3779 16.4179 k = 0.5000 0.1844 0.3515 ( 3258 PWs) bands (ev): -71.9942 -71.9942 -40.8208 -40.8207 -36.3547 -36.3546 -36.3543 -36.3543 -9.1961 -9.1945 -9.1895 -9.1889 -8.1973 -8.1961 -8.1513 -8.1500 -8.1462 -8.1459 4.3314 4.3435 8.1847 8.1958 8.6747 8.7210 8.9333 9.0133 9.4723 9.5143 9.7998 9.8455 9.8934 9.9834 10.9629 10.9926 11.1426 11.1596 13.1247 13.1944 13.3281 13.3970 13.6778 13.7366 16.4845 16.5224 k = 0.5000 0.1925 0.3402 ( 3254 PWs) bands (ev): -71.9942 -71.9942 -40.8208 -40.8207 -36.3547 -36.3546 -36.3543 -36.3543 -9.1960 -9.1945 -9.1893 -9.1888 -8.1972 -8.1961 -8.1511 -8.1500 -8.1462 -8.1459 4.3173 4.3286 8.1712 8.1814 8.6913 8.7328 8.9243 8.9940 9.4827 9.5173 9.8062 9.8394 9.9209 9.9922 10.9764 11.0043 11.1317 11.1486 13.1408 13.2155 13.3223 13.3892 13.6488 13.7098 16.5883 16.6228 k = 0.5000 0.2005 0.3289 ( 3258 PWs) bands (ev): -71.9942 -71.9942 -40.8208 -40.8207 -36.3547 -36.3547 -36.3543 -36.3543 -9.1960 -9.1945 -9.1893 -9.1889 -8.1971 -8.1961 -8.1510 -8.1501 -8.1462 -8.1460 4.3041 4.3145 8.1578 8.1672 8.7065 8.7429 8.9172 8.9769 9.4917 9.5200 9.8106 9.8343 9.9485 10.0046 10.9887 11.0149 11.1210 11.1376 13.1554 13.2350 13.3172 13.3817 13.6210 13.6841 16.6881 16.7181 k = 0.5000 0.2085 0.3175 ( 3258 PWs) bands (ev): -71.9942 -71.9942 -40.8208 -40.8207 -36.3547 -36.3547 -36.3543 -36.3543 -9.1959 -9.1946 -9.1891 -9.1889 -8.1970 -8.1961 -8.1509 -8.1501 -8.1462 -8.1461 4.2918 4.3013 8.1446 8.1535 8.7202 8.7510 8.9121 8.9621 9.4996 9.5224 9.8137 9.8303 9.9754 10.0195 11.0000 11.0243 11.1108 11.1267 13.1686 13.2525 13.3134 13.3747 13.5948 13.6593 16.7826 16.8074 k = 0.5000 0.2165 0.3062 ( 3252 PWs) bands (ev): -71.9942 -71.9942 -40.8208 -40.8207 -36.3547 -36.3547 -36.3543 -36.3543 -9.1958 -9.1946 -9.1890 -9.1888 -8.1969 -8.1960 -8.1507 -8.1500 -8.1462 -8.1461 4.2805 4.2891 8.1320 8.1403 8.7323 8.7573 8.9089 8.9497 9.5063 9.5246 9.8160 9.8274 10.0011 10.0358 11.0101 11.0325 11.1012 11.1162 13.1804 13.2672 13.3114 13.3682 13.5706 13.6358 16.8704 16.8899 k = 0.5000 0.2245 0.2948 ( 3262 PWs) bands (ev): -71.9942 -71.9942 -40.8208 -40.8207 -36.3547 -36.3547 -36.3543 -36.3543 -9.1958 -9.1947 -9.1890 -9.1889 -8.1969 -8.1961 -8.1506 -8.1501 -8.1463 -8.1463 4.2702 4.2780 8.1201 8.1279 8.7425 8.7617 8.9075 8.9396 9.5119 9.5264 9.8176 9.8253 10.0254 10.0525 11.0191 11.0395 11.0924 11.1062 13.1908 13.2773 13.3126 13.3625 13.5486 13.6137 16.9494 16.9650 k = 0.5000 0.2325 0.2835 ( 3258 PWs) bands (ev): -71.9942 -71.9942 -40.8208 -40.8207 -36.3547 -36.3547 -36.3543 -36.3543 -9.1957 -9.1947 -9.1889 -9.1888 -8.1967 -8.1961 -8.1505 -8.1501 -8.1463 -8.1463 4.2611 4.2679 8.1092 8.1164 8.7510 8.7648 8.9074 8.9318 9.5166 9.5280 9.8190 9.8239 10.0477 10.0689 11.0270 11.0454 11.0847 11.0971 13.2000 13.2816 13.3179 13.3576 13.5294 13.5930 17.0178 17.0317 k = 0.5000 0.2406 0.2722 ( 3256 PWs) bands (ev): -71.9942 -71.9942 -40.8208 -40.8207 -36.3547 -36.3547 -36.3543 -36.3543 -9.1956 -9.1948 -9.1888 -9.1887 -8.1966 -8.1960 -8.1504 -8.1501 -8.1464 -8.1463 4.2531 4.2590 8.0995 8.1060 8.7575 8.7667 8.9083 8.9261 9.5205 9.5293 9.8202 9.8232 10.0679 10.0842 11.0338 11.0499 11.0781 11.0888 13.2082 13.2816 13.3255 13.3535 13.5133 13.5738 17.0735 17.0880 k = 0.5000 0.2486 0.2608 ( 3256 PWs) bands (ev): -71.9942 -71.9942 -40.8208 -40.8207 -36.3547 -36.3547 -36.3542 -36.3542 -9.1955 -9.1948 -9.1887 -9.1887 -8.1966 -8.1961 -8.1503 -8.1500 -8.1464 -8.1463 4.2464 4.2513 8.0912 8.0968 8.7623 8.7678 8.9097 8.9223 9.5237 9.5303 9.8211 9.8228 10.0856 10.0980 11.0395 11.0531 11.0730 11.0816 13.2158 13.2793 13.3328 13.3504 13.5009 13.5563 17.1154 17.1308 k = 0.5000 0.2566 0.2495 ( 3256 PWs) bands (ev): -71.9942 -71.9942 -40.8208 -40.8207 -36.3547 -36.3547 -36.3542 -36.3542 -9.1954 -9.1948 -9.1887 -9.1887 -8.1965 -8.1961 -8.1502 -8.1501 -8.1464 -8.1464 4.2409 4.2449 8.0843 8.0889 8.7655 8.7684 8.9113 8.9200 9.5262 9.5311 9.8219 9.8228 10.1005 10.1097 11.0441 11.0546 11.0697 11.0757 13.2230 13.2754 13.3386 13.3481 13.4924 13.5405 17.1434 17.1585 k = 0.5000 0.2646 0.2381 ( 3250 PWs) bands (ev): -71.9942 -71.9942 -40.8208 -40.8207 -36.3547 -36.3547 -36.3542 -36.3542 -9.1953 -9.1949 -9.1886 -9.1886 -8.1964 -8.1961 -8.1501 -8.1500 -8.1463 -8.1463 4.2368 4.2397 8.0790 8.0825 8.7676 8.7688 8.9130 8.9187 9.5283 9.5317 9.8226 9.8229 10.1126 10.1190 11.0474 11.0545 11.0681 11.0714 13.2300 13.2705 13.3425 13.3467 13.4880 13.5265 17.1595 17.1721 k = 0.5000 0.2726 0.2268 ( 3256 PWs) bands (ev): -71.9942 -71.9942 -40.8208 -40.8208 -36.3547 -36.3547 -36.3542 -36.3542 -9.1953 -9.1950 -9.1886 -9.1886 -8.1964 -8.1962 -8.1501 -8.1500 -8.1464 -8.1464 4.2339 4.2359 8.0753 8.0777 8.7687 8.7690 8.9144 8.9179 9.5297 9.5319 9.8230 9.8231 10.1215 10.1256 11.0494 11.0536 11.0676 11.0687 13.2371 13.2647 13.3447 13.3460 13.4875 13.5143 17.1676 17.1763 k = 0.5000 0.2807 0.2155 ( 3270 PWs) bands (ev): -71.9942 -71.9942 -40.8208 -40.8208 -36.3547 -36.3547 -36.3542 -36.3542 -9.1953 -9.1952 -9.1888 -9.1888 -8.1964 -8.1963 -8.1502 -8.1502 -8.1466 -8.1466 4.2324 4.2334 8.0733 8.0745 8.7691 8.7691 8.9155 8.9172 9.5307 9.5317 9.8231 9.8231 10.1272 10.1292 11.0506 11.0525 11.0674 11.0675 13.2442 13.2582 13.3456 13.3458 13.4903 13.5041 17.1715 17.1759 k = 0.5000 0.2887 0.2041 ( 3274 PWs) bands (ev): -71.9943 -71.9943 -40.8208 -40.8208 -36.3547 -36.3547 -36.3543 -36.3543 -9.1953 -9.1953 -9.1889 -9.1889 -8.1964 -8.1964 -8.1502 -8.1502 -8.1466 -8.1466 4.2322 4.2322 8.0731 8.0731 8.7692 8.7692 8.9164 8.9164 9.5314 9.5314 9.8232 9.8232 10.1298 10.1298 11.0515 11.0515 11.0673 11.0673 13.2513 13.2513 13.3458 13.3458 13.4960 13.4960 17.1740 17.1740 k = 0.5000 0.2887 0.2041 ( 3274 PWs) bands (ev): -71.9943 -71.9943 -40.8208 -40.8208 -36.3547 -36.3547 -36.3543 -36.3543 -9.1953 -9.1953 -9.1889 -9.1889 -8.1964 -8.1964 -8.1502 -8.1502 -8.1466 -8.1466 4.2322 4.2322 8.0731 8.0731 8.7692 8.7692 8.9164 8.9164 9.5314 9.5314 9.8232 9.8232 10.1298 10.1298 11.0515 11.0515 11.0673 11.0673 13.2513 13.2513 13.3458 13.3458 13.4960 13.4960 17.1740 17.1740 k = 0.4960 0.2863 0.2173 ( 3270 PWs) bands (ev): -71.9942 -71.9942 -40.8208 -40.8208 -36.3547 -36.3547 -36.3542 -36.3542 -9.1953 -9.1952 -9.1888 -9.1888 -8.1964 -8.1963 -8.1502 -8.1502 -8.1466 -8.1466 4.2324 4.2334 8.0733 8.0746 8.7691 8.7691 8.9155 8.9172 9.5307 9.5317 9.8231 9.8231 10.1272 10.1292 11.0506 11.0525 11.0674 11.0675 13.2442 13.2582 13.3457 13.3458 13.4902 13.5041 17.1715 17.1759 k = 0.4919 0.2840 0.2305 ( 3254 PWs) bands (ev): -71.9942 -71.9942 -40.8208 -40.8207 -36.3547 -36.3547 -36.3542 -36.3542 -9.1952 -9.1950 -9.1886 -9.1886 -8.1964 -8.1962 -8.1501 -8.1500 -8.1464 -8.1464 4.2339 4.2359 8.0753 8.0778 8.7688 8.7689 8.9144 8.9179 9.5297 9.5319 9.8230 9.8231 10.1214 10.1255 11.0494 11.0535 11.0680 11.0684 13.2370 13.2648 13.3451 13.3456 13.4875 13.5144 17.1675 17.1763 k = 0.4879 0.2817 0.2436 ( 3253 PWs) bands (ev): -71.9942 -71.9942 -40.8208 -40.8207 -36.3547 -36.3547 -36.3542 -36.3542 -9.1953 -9.1949 -9.1886 -9.1886 -8.1964 -8.1961 -8.1502 -8.1500 -8.1463 -8.1463 4.2368 4.2398 8.0791 8.0826 8.7679 8.7684 8.9130 8.9186 9.5282 9.5316 9.8227 9.8228 10.1124 10.1188 11.0475 11.0540 11.0695 11.0704 13.2299 13.2706 13.3437 13.3454 13.4881 13.5267 17.1594 17.1716 k = 0.4839 0.2794 0.2568 ( 3257 PWs) bands (ev): -71.9942 -71.9942 -40.8208 -40.8207 -36.3547 -36.3547 -36.3542 -36.3542 -9.1954 -9.1949 -9.1887 -9.1887 -8.1965 -8.1961 -8.1503 -8.1501 -8.1464 -8.1464 4.2411 4.2450 8.0844 8.0891 8.7664 8.7675 8.9116 8.9197 9.5262 9.5311 9.8222 9.8225 10.1002 10.1094 11.0445 11.0531 11.0727 11.0738 13.2229 13.2755 13.3411 13.3453 13.4928 13.5409 17.1431 17.1562 k = 0.4798 0.2770 0.2700 ( 3257 PWs) bands (ev): -71.9942 -71.9942 -40.8208 -40.8207 -36.3547 -36.3547 -36.3542 -36.3542 -9.1955 -9.1948 -9.1887 -9.1887 -8.1966 -8.1961 -8.1503 -8.1501 -8.1464 -8.1463 4.2466 4.2515 8.0914 8.0970 8.7639 8.7661 8.9105 8.9215 9.5236 9.5303 9.8217 9.8223 10.0851 10.0976 11.0403 11.0505 11.0777 11.0788 13.2159 13.2792 13.3371 13.3451 13.5018 13.5569 17.1147 17.1244 k = 0.4758 0.2747 0.2831 ( 3256 PWs) bands (ev): -71.9942 -71.9942 -40.8208 -40.8207 -36.3547 -36.3547 -36.3543 -36.3543 -9.1956 -9.1948 -9.1887 -9.1887 -8.1966 -8.1960 -8.1504 -8.1501 -8.1464 -8.1463 4.2534 4.2593 8.0998 8.1062 8.7604 8.7639 8.9100 8.9244 9.5203 9.5292 9.8211 9.8222 10.0672 10.0837 11.0348 11.0464 11.0844 11.0853 13.2088 13.2816 13.3316 13.3448 13.5152 13.5747 17.0720 17.0750 k = 0.4718 0.2724 0.2963 ( 3258 PWs) bands (ev): -71.9942 -71.9942 -40.8208 -40.8207 -36.3547 -36.3547 -36.3543 -36.3543 -9.1957 -9.1947 -9.1888 -9.1888 -8.1967 -8.1961 -8.1505 -8.1501 -8.1463 -8.1462 4.2614 4.2683 8.1096 8.1166 8.7556 8.7606 8.9103 8.9287 9.5164 9.5279 9.8205 9.8226 10.0467 10.0683 11.0280 11.0409 11.0925 11.0931 13.2014 13.2822 13.3250 13.3446 13.5328 13.5944 17.0110 17.0155 k = 0.4677 0.2701 0.3095 ( 3258 PWs) bands (ev): -71.9942 -71.9942 -40.8208 -40.8207 -36.3547 -36.3547 -36.3543 -36.3543 -9.1958 -9.1947 -9.1889 -9.1889 -8.1968 -8.1961 -8.1506 -8.1501 -8.1463 -8.1462 4.2707 4.2784 8.1205 8.1279 8.7495 8.7561 8.9119 8.9345 9.5115 9.5263 9.8197 9.8234 10.0240 10.0518 11.0199 11.0340 11.1018 11.1021 13.1934 13.2806 13.3183 13.3443 13.5541 13.6160 16.9359 16.9473 k = 0.4637 0.2677 0.3226 ( 3256 PWs) bands (ev): -71.9942 -71.9942 -40.8208 -40.8207 -36.3547 -36.3547 -36.3543 -36.3543 -9.1958 -9.1946 -9.1889 -9.1889 -8.1969 -8.1960 -8.1507 -8.1501 -8.1463 -8.1461 4.2810 4.2897 8.1323 8.1398 8.7422 8.7504 8.9149 8.9419 9.5057 9.5242 9.8187 9.8250 9.9993 10.0349 11.0106 11.0257 11.1123 11.1124 13.1848 13.2755 13.3127 13.3440 13.5787 13.6393 16.8528 16.8698 k = 0.4597 0.2654 0.3358 ( 3254 PWs) bands (ev): -71.9942 -71.9942 -40.8208 -40.8207 -36.3547 -36.3547 -36.3543 -36.3543 -9.1959 -9.1946 -9.1889 -9.1889 -8.1970 -8.1960 -8.1508 -8.1501 -8.1463 -8.1460 4.2925 4.3020 8.1448 8.1521 8.7340 8.7435 8.9196 8.9511 9.4989 9.5218 9.8172 9.8277 9.9729 10.0186 10.9998 11.0159 11.1235 11.1241 13.1754 13.2666 13.3089 13.3438 13.6062 13.6644 16.7641 16.7853 k = 0.4556 0.2631 0.3490 ( 3254 PWs) bands (ev): -71.9942 -71.9942 -40.8208 -40.8207 -36.3547 -36.3547 -36.3543 -36.3543 -9.1960 -9.1945 -9.1890 -9.1890 -8.1971 -8.1961 -8.1509 -8.1500 -8.1463 -8.1459 4.3049 4.3153 8.1575 8.1642 8.7251 8.7357 8.9259 8.9619 9.4908 9.5189 9.8148 9.8315 9.9451 10.0038 10.9876 11.0046 11.1357 11.1368 13.1649 13.2540 13.3069 13.3436 13.6361 13.6912 16.6713 16.6958 k = 0.4516 0.2607 0.3622 ( 3258 PWs) bands (ev): -71.9942 -71.9942 -40.8208 -40.8207 -36.3547 -36.3546 -36.3543 -36.3543 -9.1961 -9.1945 -9.1891 -9.1891 -8.1973 -8.1961 -8.1511 -8.1501 -8.1463 -8.1458 4.3182 4.3295 8.1701 8.1759 8.7161 8.7274 8.9336 8.9742 9.4813 9.5154 9.8109 9.8368 9.9163 9.9917 10.9739 10.9918 11.1488 11.1504 13.1532 13.2388 13.3060 13.3435 13.6680 13.7194 16.5761 16.6028 k = 0.4476 0.2584 0.3753 ( 3262 PWs) bands (ev): -71.9942 -71.9942 -40.8208 -40.8207 -36.3547 -36.3546 -36.3543 -36.3543 -9.1962 -9.1945 -9.1893 -9.1892 -8.1974 -8.1962 -8.1513 -8.1501 -8.1464 -8.1458 4.3324 4.3445 8.1822 8.1864 8.7073 8.7190 8.9428 8.9879 9.4705 9.5111 9.8048 9.8437 9.8871 9.9835 10.9587 10.9773 11.1627 11.1648 13.1403 13.2216 13.3056 13.3436 13.7016 13.7489 16.4795 16.5079 k = 0.4435 0.2561 0.3885 ( 3256 PWs) bands (ev): -71.9942 -71.9942 -40.8208 -40.8207 -36.3547 -36.3546 -36.3543 -36.3543 -9.1962 -9.1944 -9.1893 -9.1892 -8.1975 -8.1961 -8.1513 -8.1500 -8.1464 -8.1456 4.3473 4.3602 8.1930 8.1953 8.6996 8.7113 8.9534 9.0031 9.4582 9.5062 9.7961 9.8486 9.8617 9.9802 10.9420 10.9613 11.1774 11.1801 13.1262 13.2027 13.3056 13.3439 13.7364 13.7795 16.3826 16.4122 k = 0.4395 0.2538 0.4017 ( 3256 PWs) bands (ev): -71.9942 -71.9942 -40.8208 -40.8207 -36.3547 -36.3546 -36.3543 -36.3543 -9.1963 -9.1944 -9.1894 -9.1893 -8.1976 -8.1962 -8.1514 -8.1500 -8.1464 -8.1455 4.3628 4.3764 8.2020 8.2021 8.6933 8.7048 8.9649 9.0194 9.4444 9.5004 9.7849 9.8247 9.8674 9.9823 10.9236 10.9437 11.1925 11.1959 13.1107 13.1824 13.3059 13.3445 13.7720 13.8109 16.2863 16.3166 k = 0.4355 0.2514 0.4148 ( 3252 PWs) bands (ev): -71.9942 -71.9942 -40.8208 -40.8207 -36.3547 -36.3546 -36.3543 -36.3543 -9.1963 -9.1944 -9.1894 -9.1893 -8.1976 -8.1961 -8.1515 -8.1499 -8.1464 -8.1454 4.3788 4.3932 8.2058 8.2088 8.6890 8.7002 8.9774 9.0368 9.4292 9.4937 9.7716 9.7952 9.8818 9.9898 10.9037 10.9245 11.2082 11.2123 13.0941 13.1610 13.3064 13.3454 13.8082 13.8428 16.1913 16.2222 k = 0.4315 0.2491 0.4280 ( 3252 PWs) bands (ev): -71.9942 -71.9942 -40.8208 -40.8207 -36.3546 -36.3546 -36.3543 -36.3543 -9.1964 -9.1944 -9.1895 -9.1893 -8.1977 -8.1962 -8.1516 -8.1498 -8.1465 -8.1453 4.3953 4.4103 8.2063 8.2124 8.6872 8.6982 8.9907 9.0551 9.4128 9.4860 9.7570 9.7659 9.8995 10.0022 10.8821 10.9037 11.2242 11.2291 13.0763 13.1386 13.3073 13.3467 13.8443 13.8748 16.0983 16.1295 k = 0.4274 0.2468 0.4412 ( 3252 PWs) bands (ev): -71.9942 -71.9942 -40.8208 -40.8207 -36.3546 -36.3546 -36.3543 -36.3543 -9.1964 -9.1944 -9.1896 -9.1894 -8.1979 -8.1962 -8.1517 -8.1498 -8.1465 -8.1452 4.4119 4.4276 8.2030 8.2124 8.6883 8.6993 9.0045 9.0742 9.3953 9.4774 9.7372 9.7416 9.9204 10.0193 10.8590 10.8813 11.2405 11.2462 13.0576 13.1156 13.3086 13.3484 13.8801 13.9065 16.0080 16.0395 k = 0.4234 0.2444 0.4543 ( 3252 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3546 -36.3543 -36.3543 -9.1965 -9.1944 -9.1897 -9.1894 -8.1979 -8.1963 -8.1518 -8.1497 -8.1466 -8.1452 4.4288 4.4449 8.1957 8.2084 8.6924 8.7040 9.0186 9.0941 9.3770 9.4680 9.7096 9.7260 9.9447 10.0404 10.8343 10.8575 11.2568 11.2634 13.0382 13.0920 13.3103 13.3507 13.9150 13.9375 15.9209 15.9526 k = 0.4194 0.2421 0.4675 ( 3249 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3546 -36.3543 -36.3543 -9.1965 -9.1943 -9.1898 -9.1895 -8.1980 -8.1963 -8.1519 -8.1496 -8.1466 -8.1451 4.4455 4.4622 8.1845 8.2002 8.6994 8.7123 9.0330 9.1146 9.3583 9.4578 9.6833 9.7108 9.9723 10.0653 10.8082 10.8324 11.2730 11.2805 13.0181 13.0682 13.3126 13.3536 13.9484 13.9671 15.8377 15.8696 k = 0.4153 0.2398 0.4807 ( 3249 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3546 -36.3543 -36.3543 -9.1965 -9.1943 -9.1899 -9.1895 -8.1982 -8.1964 -8.1520 -8.1495 -8.1466 -8.1450 4.4621 4.4793 8.1696 8.1880 8.7091 8.7241 9.0473 9.1355 9.3395 9.4469 9.6584 9.6960 10.0032 10.0937 10.7807 10.8061 11.2890 11.2975 12.9978 13.0443 13.3156 13.3572 13.9798 13.9950 15.7590 15.7911 k = 0.4113 0.2375 0.4938 ( 3249 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3545 -36.3543 -36.3543 -9.1965 -9.1943 -9.1900 -9.1896 -8.1983 -8.1964 -8.1521 -8.1494 -8.1467 -8.1449 4.4784 4.4960 8.1513 8.1719 8.7211 8.7393 9.0612 9.1567 9.3212 9.4355 9.6354 9.6820 10.0372 10.1251 10.7520 10.7789 11.3047 11.3141 12.9774 13.0207 13.3194 13.3617 14.0085 14.0204 15.6854 15.7176 k = 0.4073 0.2351 0.5070 ( 3247 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3545 -36.3543 -36.3543 -9.1965 -9.1943 -9.1901 -9.1896 -8.1983 -8.1964 -8.1522 -8.1493 -8.1468 -8.1448 4.4942 4.5120 8.1300 8.1524 8.7351 8.7575 9.0746 9.1781 9.3039 9.4238 9.6142 9.6688 10.0741 10.1591 10.7225 10.7512 11.3198 11.3302 12.9573 12.9975 13.3243 13.3672 14.0339 14.0427 15.6175 15.6499 k = 0.4032 0.2328 0.5202 ( 3249 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3545 -36.3543 -36.3543 -9.1966 -9.1944 -9.1902 -9.1897 -8.1984 -8.1965 -8.1523 -8.1493 -8.1469 -8.1448 4.5092 4.5274 8.1061 8.1298 8.7507 8.7782 9.0869 9.1994 9.2881 9.4119 9.5951 9.6565 10.1135 10.1951 10.6925 10.7235 11.3342 11.3456 12.9377 12.9752 13.3305 13.3738 14.0552 14.0612 15.5560 15.5885 k = 0.3992 0.2305 0.5334 ( 3249 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3545 -36.3544 -36.3543 -9.1966 -9.1944 -9.1904 -9.1897 -8.1985 -8.1966 -8.1524 -8.1492 -8.1470 -8.1447 4.5235 4.5418 8.0800 8.1046 8.7675 8.8010 9.0978 9.2206 9.2743 9.4003 9.5783 9.6451 10.1545 10.2320 10.6627 10.6969 11.3477 11.3602 12.9190 12.9538 13.3380 13.3819 14.0718 14.0753 15.5015 15.5340 k = 0.3952 0.2281 0.5465 ( 3247 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3545 -36.3544 -36.3543 -9.1966 -9.1944 -9.1904 -9.1897 -8.1985 -8.1966 -8.1524 -8.1490 -8.1470 -8.1447 4.5366 4.5551 8.0520 8.0773 8.7852 8.8256 9.1071 9.2413 9.2632 9.3891 9.5637 9.6347 10.1959 10.2682 10.6343 10.6727 11.3603 11.3737 12.9013 12.9337 13.3472 13.3914 14.0831 14.0845 15.4548 15.4870 k = 0.3911 0.2258 0.5597 ( 3247 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3545 -36.3544 -36.3543 -9.1966 -9.1944 -9.1905 -9.1897 -8.1986 -8.1966 -8.1525 -8.1489 -8.1471 -8.1446 4.5486 4.5671 8.0227 8.0482 8.8034 8.8514 9.1143 9.2553 9.2611 9.3788 9.5516 9.6252 10.2358 10.3014 10.6090 10.6533 11.3718 11.3861 12.8851 12.9152 13.3582 13.4028 14.0883 14.0884 15.4161 15.4480 k = 0.3871 0.2235 0.5729 ( 3250 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3545 -36.3544 -36.3543 -9.1966 -9.1945 -9.1907 -9.1897 -8.1987 -8.1967 -8.1525 -8.1489 -8.1472 -8.1447 4.5591 4.5777 7.9922 8.0176 8.8221 8.8780 9.1195 9.2508 9.2792 9.3702 9.5421 9.6168 10.2706 10.3277 10.5904 10.6425 11.3820 11.3973 12.8704 12.8984 13.3713 13.4160 14.0864 14.0876 15.3859 15.4171 k = 0.3831 0.2212 0.5860 ( 3250 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3545 -36.3544 -36.3543 -9.1965 -9.1946 -9.1908 -9.1897 -8.1987 -8.1968 -8.1525 -8.1488 -8.1472 -8.1447 4.5681 4.5865 7.9608 7.9860 8.8409 8.9049 9.1233 9.2494 9.2940 9.3648 9.5353 9.6094 10.2950 10.3424 10.5835 10.6447 11.3909 11.4070 12.8577 12.8836 13.3867 13.4314 14.0790 14.0808 15.3642 15.3944 k = 0.3790 0.2188 0.5992 ( 3248 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3545 -36.3544 -36.3543 -9.1964 -9.1946 -9.1909 -9.1897 -8.1987 -8.1968 -8.1525 -8.1488 -8.1472 -8.1447 4.5753 4.5935 7.9290 7.9537 8.8597 8.9313 9.1269 9.2507 9.3024 9.3658 9.5314 9.6031 10.3037 10.3428 10.5934 10.6626 11.3986 11.4154 12.8469 12.8709 13.4046 13.4492 14.0664 14.0682 15.3508 15.3796 k = 0.3750 0.2165 0.6124 ( 3258 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3545 -36.3544 -36.3543 -9.1965 -9.1947 -9.1911 -9.1898 -8.1988 -8.1969 -8.1527 -8.1488 -8.1473 -8.1448 4.5805 4.5985 7.8969 7.9209 8.8783 8.9562 9.1316 9.2538 9.3026 9.3746 9.5303 9.5977 10.2956 10.3302 10.6209 10.6946 11.4048 11.4224 12.8383 12.8604 13.4251 13.4695 14.0492 14.0507 15.3451 15.3724 k = 0.6250-0.0722 0.4082 ( 3258 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3545 -36.3544 -36.3543 -9.1965 -9.1947 -9.1911 -9.1898 -8.1988 -8.1969 -8.1527 -8.1488 -8.1473 -8.1448 4.5805 4.5985 7.8969 7.9209 8.8783 8.9562 9.1316 9.2538 9.3026 9.3746 9.5303 9.5977 10.2956 10.3302 10.6209 10.6946 11.4048 11.4224 12.8383 12.8604 13.4251 13.4695 14.0492 14.0507 15.3451 15.3724 k = 0.6181-0.0842 0.4082 ( 3258 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3545 -36.3543 -36.3543 -9.1963 -9.1948 -9.1913 -9.1898 -8.1989 -8.1970 -8.1527 -8.1488 -8.1473 -8.1448 4.5871 4.6046 7.8424 7.8651 8.9094 8.9948 9.1425 9.2613 9.2948 9.3975 9.5324 9.5903 10.2663 10.2979 10.6850 10.7617 11.4153 11.4339 12.8260 12.8449 13.4630 13.5068 14.0184 14.0188 15.3400 15.3645 k = 0.6111-0.0962 0.4082 ( 3262 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3545 -36.3543 -36.3543 -9.1963 -9.1949 -9.1915 -9.1899 -8.1989 -8.1971 -8.1527 -8.1488 -8.1474 -8.1448 4.5926 4.6095 7.7899 7.8112 8.9388 9.0276 9.1562 9.2699 9.2842 9.4215 9.5367 9.5845 10.2332 10.2638 10.7540 10.8314 11.4272 11.4466 12.8146 12.8304 13.5014 13.5446 13.9911 13.9917 15.3317 15.3533 k = 0.6042-0.1083 0.4082 ( 3254 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3545 -36.3543 -36.3543 -9.1960 -9.1948 -9.1916 -9.1898 -8.1989 -8.1971 -8.1526 -8.1487 -8.1473 -8.1447 4.5971 4.6133 7.7396 7.7595 8.9668 9.0533 9.1744 9.2725 9.2793 9.4454 9.5430 9.5805 10.1979 10.2286 10.8258 10.9025 11.4403 11.4602 12.8042 12.8168 13.5402 13.5826 13.9677 13.9694 15.3197 15.3385 k = 0.5972-0.1203 0.4082 ( 3258 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3545 -36.3543 -36.3543 -9.1959 -9.1949 -9.1918 -9.1898 -8.1989 -8.1972 -8.1526 -8.1487 -8.1472 -8.1448 4.6006 4.6161 7.6919 7.7103 8.9937 9.0716 9.1967 9.2600 9.2893 9.4682 9.5509 9.5783 10.1613 10.1929 10.8990 10.9742 11.4543 11.4745 12.7947 12.8043 13.5791 13.6208 13.9485 13.9515 15.3040 15.3197 k = 0.5903-0.1323 0.4082 ( 3258 PWs) bands (ev): -71.9942 -71.9942 -40.8207 -40.8207 -36.3546 -36.3545 -36.3543 -36.3543 -9.1957 -9.1949 -9.1919 -9.1899 -8.1989 -8.1973 -8.1525 -8.1488 -8.1471 -8.1448 4.6034 4.6180 7.6467 7.6638 9.0195 9.0842 9.2211 9.2474 9.3003 9.4898 9.5601 9.5780 10.1238 10.1567 10.9727 11.0455 11.4690 11.4893 12.7861 12.7927 13.6182 13.6590 13.9339 13.9381 15.2758 15.2840 k = 0.5833-0.1443 0.4082 ( 3266 PWs) bands (ev): -71.9943 -71.9943 -40.8207 -40.8207 -36.3546 -36.3545 -36.3543 -36.3543 -9.1957 -9.1951 -9.1921 -9.1900 -8.1989 -8.1975 -8.1525 -8.1490 -8.1471 -8.1450 4.6055 4.6192 7.6044 7.6201 9.0446 9.0929 9.2347 9.2448 9.3133 9.5099 9.5704 9.5794 10.0857 10.1205 11.0457 11.1156 11.4842 11.5044 12.7782 12.7821 13.6574 13.6971 13.9237 13.9292 15.2060 15.2310 k = 0.5764-0.1564 0.4082 ( 3266 PWs) bands (ev): -71.9943 -71.9943 -40.8207 -40.8207 -36.3546 -36.3545 -36.3543 -36.3543 -9.1955 -9.1951 -9.1922 -9.1901 -8.1989 -8.1975 -8.1525 -8.1491 -8.1470 -8.1450 4.6071 4.6198 7.5651 7.5793 9.0691 9.0992 9.2224 9.2651 9.3297 9.5283 9.5815 9.5823 10.0473 10.0843 11.1173 11.1836 11.4997 11.5197 12.7711 12.7725 13.6964 13.7349 13.9180 13.9248 15.1381 15.1635 k = 0.5694-0.1684 0.4082 ( 3266 PWs) bands (ev): -71.9943 -71.9943 -40.8207 -40.8207 -36.3546 -36.3545 -36.3543 -36.3542 -9.1953 -9.1951 -9.1923 -9.1901 -8.1989 -8.1976 -8.1524 -8.1493 -8.1469 -8.1450 4.6082 4.6200 7.5288 7.5417 9.0929 9.1039 9.2105 9.2805 9.3501 9.5452 9.5865 9.5931 10.0088 10.0484 11.1865 11.2486 11.5154 11.5350 12.7638 12.7647 13.7351 13.7723 13.9167 13.9248 15.0729 15.0983 k = 0.5625-0.1804 0.4082 ( 3276 PWs) bands (ev): -71.9943 -71.9943 -40.8207 -40.8207 -36.3546 -36.3545 -36.3543 -36.3542 -9.1954 -9.1952 -9.1924 -9.1903 -8.1989 -8.1978 -8.1524 -8.1495 -8.1469 -8.1452 4.6089 4.6197 7.4958 7.5073 9.1074 9.1161 9.1992 9.2916 9.3736 9.5607 9.5917 9.6050 9.9701 10.0129 11.2522 11.3094 11.5310 11.5502 12.7562 12.7589 13.7734 13.8090 13.9198 13.9290 15.0104 15.0357 k = 0.5556-0.1925 0.4082 ( 3266 PWs) bands (ev): -71.9943 -71.9943 -40.8207 -40.8207 -36.3546 -36.3545 -36.3543 -36.3542 -9.1951 -9.1951 -9.1924 -9.1903 -8.1987 -8.1977 -8.1522 -8.1495 -8.1467 -8.1452 4.6095 4.6191 7.4660 7.4762 9.1103 9.1385 9.1891 9.2997 9.3992 9.5748 9.5976 9.6170 9.9318 9.9781 11.3134 11.3651 11.5465 11.5655 12.7496 12.7538 13.8110 13.8446 13.9269 13.9370 14.9513 14.9762 k = 0.5486-0.2045 0.4082 ( 3276 PWs) bands (ev): -71.9943 -71.9943 -40.8207 -40.8207 -36.3546 -36.3545 -36.3542 -36.3542 -9.1952 -9.1952 -9.1924 -9.1905 -8.1988 -8.1979 -8.1521 -8.1498 -8.1467 -8.1453 4.6098 4.6183 7.4397 7.4485 9.1125 9.1584 9.1813 9.3053 9.4257 9.5877 9.6038 9.6288 9.8936 9.9440 11.3691 11.4143 11.5620 11.5808 12.7439 12.7491 13.8475 13.8788 13.9375 13.9485 14.8959 14.9202 k = 0.5417-0.2165 0.4082 ( 3276 PWs) bands (ev): -71.9943 -71.9943 -40.8207 -40.8207 -36.3546 -36.3545 -36.3542 -36.3542 -9.1952 -9.1951 -9.1924 -9.1907 -8.1988 -8.1980 -8.1520 -8.1500 -8.1466 -8.1454 4.6100 4.6174 7.4168 7.4243 9.1144 9.1643 9.1877 9.3090 9.4529 9.5992 9.6101 9.6408 9.8561 9.9111 11.4182 11.4561 11.5777 11.5964 12.7393 12.7451 13.8825 13.9111 13.9511 13.9625 14.8449 14.8680 k = 0.5347-0.2285 0.4082 ( 3276 PWs) bands (ev): -71.9943 -71.9943 -40.8207 -40.8207 -36.3546 -36.3545 -36.3542 -36.3542 -9.1952 -9.1950 -9.1923 -9.1908 -8.1987 -8.1980 -8.1519 -8.1502 -8.1464 -8.1455 4.6102 4.6164 7.3974 7.4037 9.1163 9.1580 9.2062 9.3107 9.4809 9.6093 9.6161 9.6530 9.8193 9.8794 11.4597 11.4897 11.5935 11.6121 12.7356 12.7415 13.9155 13.9407 13.9666 13.9779 14.7991 14.8205 k = 0.5278-0.2406 0.4082 ( 3278 PWs) bands (ev): -71.9943 -71.9943 -40.8207 -40.8207 -36.3546 -36.3545 -36.3542 -36.3542 -9.1952 -9.1951 -9.1922 -9.1910 -8.1987 -8.1982 -8.1517 -8.1503 -8.1463 -8.1456 4.6104 4.6154 7.3816 7.3866 9.1182 9.1509 9.2250 9.3102 9.5095 9.6176 9.6216 9.6654 9.7838 9.8492 11.4926 11.5147 11.6097 11.6273 12.7329 12.7383 13.9457 13.9670 13.9828 13.9934 14.7596 14.7785 k = 0.5208-0.2526 0.4082 ( 3278 PWs) bands (ev): -71.9943 -71.9943 -40.8207 -40.8207 -36.3546 -36.3545 -36.3542 -36.3542 -9.1952 -9.1951 -9.1921 -9.1911 -8.1987 -8.1983 -8.1515 -8.1505 -8.1462 -8.1456 4.6107 4.6144 7.3694 7.3731 9.1203 9.1444 9.2428 9.3076 9.5389 9.6240 9.6263 9.6770 9.7513 9.8208 11.5170 11.5321 11.6254 11.6408 12.7311 12.7356 13.9723 13.9890 13.9980 14.0071 14.7276 14.7430 k = 0.5139-0.2646 0.4082 ( 3274 PWs) bands (ev): -71.9943 -71.9943 -40.8207 -40.8207 -36.3546 -36.3545 -36.3542 -36.3542 -9.1951 -9.1950 -9.1919 -9.1913 -8.1986 -8.1983 -8.1513 -8.1506 -8.1460 -8.1457 4.6110 4.6135 7.3608 7.3633 9.1228 9.1387 9.2589 9.3026 9.5689 9.6282 9.6302 9.6807 9.7294 9.7943 11.5336 11.5428 11.6394 11.6508 12.7302 12.7334 13.9941 14.0059 14.0106 14.0171 14.7043 14.7154 k = 0.5069-0.2766 0.4082 ( 3270 PWs) bands (ev): -71.9943 -71.9943 -40.8207 -40.8207 -36.3546 -36.3546 -36.3542 -36.3542 -9.1950 -9.1950 -9.1917 -9.1914 -8.1985 -8.1983 -8.1511 -8.1508 -8.1459 -8.1457 4.6114 4.6127 7.3559 7.3572 9.1258 9.1337 9.2732 9.2951 9.5991 9.6300 9.6333 9.6630 9.7322 9.7701 11.5437 11.5481 11.6500 11.6560 12.7300 12.7317 14.0101 14.0167 14.0187 14.0216 14.6910 14.6968 k = 0.5000-0.2887 0.4082 ( 3282 PWs) bands (ev): -71.9943 -71.9943 -40.8207 -40.8207 -36.3546 -36.3546 -36.3542 -36.3542 -9.1952 -9.1952 -9.1916 -9.1916 -8.1985 -8.1985 -8.1511 -8.1511 -8.1460 -8.1460 4.6120 4.6120 7.3547 7.3547 9.1293 9.1293 9.2853 9.2853 9.6247 9.6247 9.6396 9.6396 9.7487 9.7487 11.5484 11.5484 11.6557 11.6557 12.7305 12.7305 14.0193 14.0193 14.0211 14.0211 14.6885 14.6885 Writing output data file ZrSnPd.save init_run : 0.94s CPU 0.57s WALL ( 1 calls) electrons : 253.38s CPU 158.40s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.13s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 253.37s CPU 158.38s 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 : 0.25s CPU 0.15s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.23s CPU 0.36s WALL ( 334 calls) cegterg : 222.89s CPU 140.22s WALL ( 405 calls) Called by sum_band: Called by *egterg: h_psi : 163.36s CPU 94.36s WALL ( 6429 calls) s_psi : 4.63s CPU 2.74s WALL ( 6429 calls) g_psi : 0.22s CPU 0.15s WALL ( 5690 calls) cdiaghg : 62.54s CPU 45.35s WALL ( 6024 calls) cegterg:over : 7.19s CPU 4.59s WALL ( 5690 calls) cegterg:upda : 5.43s CPU 3.59s WALL ( 5690 calls) cegterg:last : 2.83s CPU 1.83s WALL ( 1073 calls) cdiaghg:chol : 3.46s CPU 2.46s WALL ( 6024 calls) cdiaghg:inve : 1.87s CPU 1.41s WALL ( 6024 calls) cdiaghg:para : 3.34s CPU 2.49s WALL ( 12048 calls) Called by h_psi: h_psi:vloc : 151.41s CPU 87.09s WALL ( 6429 calls) h_psi:vnl : 11.70s CPU 7.12s WALL ( 6429 calls) add_vuspsi : 6.85s CPU 4.07s WALL ( 6429 calls) General routines calbec : 4.80s CPU 3.03s WALL ( 6429 calls) fft : 0.02s CPU 0.01s WALL ( 19 calls) ffts : 0.02s CPU 0.01s WALL ( 4 calls) fftw : 141.48s CPU 81.01s WALL ( 636452 calls) interpolate : 0.03s CPU 0.02s WALL ( 4 calls) davcio : 0.35s CPU 0.53s WALL ( 668 calls) Parallel routines fft_scatter : 56.15s CPU 34.08s WALL ( 636475 calls) PWSCF : 4m27.36s CPU 3m 4.77s WALL This run was terminated on: 4:43:36 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=