Program PWSCF v.5.4.0 starts on 12Feb2017 at 3:49:28 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: ./TiFeSn.save/ file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized file Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D 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 43 43 12 1142 1142 172 Max 44 44 13 1145 1145 177 Sum 1573 1573 439 41151 41151 6231 bravais-lattice index = 14 lattice parameter (alat) = 8.4584 a.u. unit-cell volume = 427.9053 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 3 number of electrons = 34.00 number of Kohn-Sham states= 42 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.458387 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 Fe read from file: /users/gautes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1f786298b0c3f78d6037ec413201e537 Pseudo is Ultrasoft + core correction, Zval = 8.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1191 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Sn read from file: /users/gautes/Pseudo/Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 9499e19b89e678f7f9f46ad7de03aa82 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Ti read from file: /users/gautes/Pseudo/Ti.rel-pbe-oncvpsp.UPF MD5 check sum: 490816c065db03488b8f3a1c39de4952 Pseudo is Norm-conserving, Zval = 12.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 600 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 atomic species valence mass pseudopotential Fe 8.00 55.84500 Fe( 1.00) Sn 14.00 118.71000 Sn( 1.00) Ti 12.00 47.86700 Ti( 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= 333 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030030 k( 2) = ( 0.0100000 -0.0057735 0.0081650), wk = 0.0030030 k( 3) = ( 0.0200000 -0.0115470 0.0163299), wk = 0.0030030 k( 4) = ( 0.0300000 -0.0173205 0.0244949), wk = 0.0030030 k( 5) = ( 0.0400000 -0.0230940 0.0326599), wk = 0.0030030 k( 6) = ( 0.0500000 -0.0288675 0.0408248), wk = 0.0030030 k( 7) = ( 0.0600000 -0.0346410 0.0489898), wk = 0.0030030 k( 8) = ( 0.0700000 -0.0404145 0.0571548), wk = 0.0030030 k( 9) = ( 0.0800000 -0.0461880 0.0653197), wk = 0.0030030 k( 10) = ( 0.0900000 -0.0519615 0.0734847), wk = 0.0030030 k( 11) = ( 0.1000000 -0.0577350 0.0816497), wk = 0.0030030 k( 12) = ( 0.1100000 -0.0635085 0.0898146), wk = 0.0030030 k( 13) = ( 0.1200000 -0.0692820 0.0979796), wk = 0.0030030 k( 14) = ( 0.1300000 -0.0750555 0.1061446), wk = 0.0030030 k( 15) = ( 0.1400000 -0.0808290 0.1143095), wk = 0.0030030 k( 16) = ( 0.1500000 -0.0866025 0.1224745), wk = 0.0030030 k( 17) = ( 0.1600000 -0.0923760 0.1306395), wk = 0.0030030 k( 18) = ( 0.1700000 -0.0981495 0.1388044), wk = 0.0030030 k( 19) = ( 0.1800000 -0.1039230 0.1469694), wk = 0.0030030 k( 20) = ( 0.1900000 -0.1096966 0.1551344), wk = 0.0030030 k( 21) = ( 0.2000000 -0.1154701 0.1632993), wk = 0.0030030 k( 22) = ( 0.2100000 -0.1212436 0.1714643), wk = 0.0030030 k( 23) = ( 0.2200000 -0.1270171 0.1796292), wk = 0.0030030 k( 24) = ( 0.2300000 -0.1327906 0.1877942), wk = 0.0030030 k( 25) = ( 0.2400000 -0.1385641 0.1959592), wk = 0.0030030 k( 26) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0030030 k( 27) = ( 0.2600000 -0.1501111 0.2122891), wk = 0.0030030 k( 28) = ( 0.2700000 -0.1558846 0.2204541), wk = 0.0030030 k( 29) = ( 0.2800000 -0.1616581 0.2286190), wk = 0.0030030 k( 30) = ( 0.2900000 -0.1674316 0.2367840), wk = 0.0030030 k( 31) = ( 0.3000000 -0.1732051 0.2449490), wk = 0.0030030 k( 32) = ( 0.3100000 -0.1789786 0.2531139), wk = 0.0030030 k( 33) = ( 0.3200000 -0.1847521 0.2612789), wk = 0.0030030 k( 34) = ( 0.3300000 -0.1905256 0.2694439), wk = 0.0030030 k( 35) = ( 0.3400000 -0.1962991 0.2776088), wk = 0.0030030 k( 36) = ( 0.3500000 -0.2020726 0.2857738), wk = 0.0030030 k( 37) = ( 0.3600000 -0.2078461 0.2939388), wk = 0.0030030 k( 38) = ( 0.3700000 -0.2136196 0.3021037), wk = 0.0030030 k( 39) = ( 0.3800000 -0.2193931 0.3102687), wk = 0.0030030 k( 40) = ( 0.3900000 -0.2251666 0.3184337), wk = 0.0030030 k( 41) = ( 0.4000000 -0.2309401 0.3265986), wk = 0.0030030 k( 42) = ( 0.4100000 -0.2367136 0.3347636), wk = 0.0030030 k( 43) = ( 0.4200000 -0.2424871 0.3429286), wk = 0.0030030 k( 44) = ( 0.4300000 -0.2482606 0.3510935), wk = 0.0030030 k( 45) = ( 0.4400000 -0.2540341 0.3592585), wk = 0.0030030 k( 46) = ( 0.4500000 -0.2598076 0.3674235), wk = 0.0030030 k( 47) = ( 0.4600000 -0.2655811 0.3755884), wk = 0.0030030 k( 48) = ( 0.4700000 -0.2713546 0.3837534), wk = 0.0030030 k( 49) = ( 0.4800000 -0.2771281 0.3919184), wk = 0.0030030 k( 50) = ( 0.4900000 -0.2829016 0.4000833), wk = 0.0030030 k( 51) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0030030 k( 52) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0030030 k( 53) = ( 0.5000000 -0.2771281 0.4164133), wk = 0.0030030 k( 54) = ( 0.5000000 -0.2655811 0.4245782), wk = 0.0030030 k( 55) = ( 0.5000000 -0.2540341 0.4327432), wk = 0.0030030 k( 56) = ( 0.5000000 -0.2424871 0.4409082), wk = 0.0030030 k( 57) = ( 0.5000000 -0.2309401 0.4490731), wk = 0.0030030 k( 58) = ( 0.5000000 -0.2193931 0.4572381), wk = 0.0030030 k( 59) = ( 0.5000000 -0.2078461 0.4654031), wk = 0.0030030 k( 60) = ( 0.5000000 -0.1962991 0.4735680), wk = 0.0030030 k( 61) = ( 0.5000000 -0.1847521 0.4817330), wk = 0.0030030 k( 62) = ( 0.5000000 -0.1732051 0.4898979), wk = 0.0030030 k( 63) = ( 0.5000000 -0.1616581 0.4980629), wk = 0.0030030 k( 64) = ( 0.5000000 -0.1501111 0.5062279), wk = 0.0030030 k( 65) = ( 0.5000000 -0.1385641 0.5143928), wk = 0.0030030 k( 66) = ( 0.5000000 -0.1270171 0.5225578), wk = 0.0030030 k( 67) = ( 0.5000000 -0.1154701 0.5307228), wk = 0.0030030 k( 68) = ( 0.5000000 -0.1039230 0.5388877), wk = 0.0030030 k( 69) = ( 0.5000000 -0.0923760 0.5470527), wk = 0.0030030 k( 70) = ( 0.5000000 -0.0808290 0.5552177), wk = 0.0030030 k( 71) = ( 0.5000000 -0.0692820 0.5633826), wk = 0.0030030 k( 72) = ( 0.5000000 -0.0577350 0.5715476), wk = 0.0030030 k( 73) = ( 0.5000000 -0.0461880 0.5797126), wk = 0.0030030 k( 74) = ( 0.5000000 -0.0346410 0.5878775), wk = 0.0030030 k( 75) = ( 0.5000000 -0.0230940 0.5960425), wk = 0.0030030 k( 76) = ( 0.5000000 -0.0115470 0.6042075), wk = 0.0030030 k( 77) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0030030 k( 78) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0030030 k( 79) = ( 0.4930556 0.0120281 0.6123724), wk = 0.0030030 k( 80) = ( 0.4861111 0.0240563 0.6123724), wk = 0.0030030 k( 81) = ( 0.4791667 0.0360844 0.6123724), wk = 0.0030030 k( 82) = ( 0.4722222 0.0481125 0.6123724), wk = 0.0030030 k( 83) = ( 0.4652778 0.0601406 0.6123724), wk = 0.0030030 k( 84) = ( 0.4583333 0.0721688 0.6123724), wk = 0.0030030 k( 85) = ( 0.4513889 0.0841969 0.6123724), wk = 0.0030030 k( 86) = ( 0.4444444 0.0962251 0.6123724), wk = 0.0030030 k( 87) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0030030 k( 88) = ( 0.4305556 0.1202813 0.6123724), wk = 0.0030030 k( 89) = ( 0.4236111 0.1323094 0.6123724), wk = 0.0030030 k( 90) = ( 0.4166667 0.1443376 0.6123724), wk = 0.0030030 k( 91) = ( 0.4097222 0.1563657 0.6123724), wk = 0.0030030 k( 92) = ( 0.4027778 0.1683938 0.6123724), wk = 0.0030030 k( 93) = ( 0.3958333 0.1804220 0.6123724), wk = 0.0030030 k( 94) = ( 0.3888889 0.1924501 0.6123724), wk = 0.0030030 k( 95) = ( 0.3819444 0.2044782 0.6123724), wk = 0.0030030 k( 96) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0030030 k( 97) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0030030 k( 98) = ( 0.3679245 0.2124213 0.6008182), wk = 0.0030030 k( 99) = ( 0.3608491 0.2083363 0.5892640), wk = 0.0030030 k( 100) = ( 0.3537736 0.2042513 0.5777098), wk = 0.0030030 k( 101) = ( 0.3466981 0.2001662 0.5661557), wk = 0.0030030 k( 102) = ( 0.3396226 0.1960812 0.5546014), wk = 0.0030030 k( 103) = ( 0.3325472 0.1919962 0.5430473), wk = 0.0030030 k( 104) = ( 0.3254717 0.1879112 0.5314931), wk = 0.0030030 k( 105) = ( 0.3183962 0.1838261 0.5199389), wk = 0.0030030 k( 106) = ( 0.3113207 0.1797411 0.5083847), wk = 0.0030030 k( 107) = ( 0.3042453 0.1756561 0.4968305), wk = 0.0030030 k( 108) = ( 0.2971698 0.1715711 0.4852763), wk = 0.0030030 k( 109) = ( 0.2900943 0.1674860 0.4737221), wk = 0.0030030 k( 110) = ( 0.2830189 0.1634010 0.4621679), wk = 0.0030030 k( 111) = ( 0.2759434 0.1593160 0.4506137), wk = 0.0030030 k( 112) = ( 0.2688679 0.1552310 0.4390595), wk = 0.0030030 k( 113) = ( 0.2617925 0.1511459 0.4275053), wk = 0.0030030 k( 114) = ( 0.2547170 0.1470609 0.4159511), wk = 0.0030030 k( 115) = ( 0.2476415 0.1429759 0.4043969), wk = 0.0030030 k( 116) = ( 0.2405660 0.1388909 0.3928427), wk = 0.0030030 k( 117) = ( 0.2334906 0.1348058 0.3812885), wk = 0.0030030 k( 118) = ( 0.2264151 0.1307208 0.3697343), wk = 0.0030030 k( 119) = ( 0.2193396 0.1266358 0.3581801), wk = 0.0030030 k( 120) = ( 0.2122642 0.1225508 0.3466259), wk = 0.0030030 k( 121) = ( 0.2051887 0.1184657 0.3350717), wk = 0.0030030 k( 122) = ( 0.1981132 0.1143807 0.3235175), wk = 0.0030030 k( 123) = ( 0.1910377 0.1102957 0.3119633), wk = 0.0030030 k( 124) = ( 0.1839623 0.1062107 0.3004091), wk = 0.0030030 k( 125) = ( 0.1768868 0.1021256 0.2888549), wk = 0.0030030 k( 126) = ( 0.1698113 0.0980406 0.2773007), wk = 0.0030030 k( 127) = ( 0.1627358 0.0939556 0.2657465), wk = 0.0030030 k( 128) = ( 0.1556604 0.0898706 0.2541923), wk = 0.0030030 k( 129) = ( 0.1485849 0.0857855 0.2426381), wk = 0.0030030 k( 130) = ( 0.1415094 0.0817005 0.2310839), wk = 0.0030030 k( 131) = ( 0.1344340 0.0776155 0.2195297), wk = 0.0030030 k( 132) = ( 0.1273585 0.0735305 0.2079755), wk = 0.0030030 k( 133) = ( 0.1202830 0.0694454 0.1964213), wk = 0.0030030 k( 134) = ( 0.1132076 0.0653604 0.1848671), wk = 0.0030030 k( 135) = ( 0.1061321 0.0612754 0.1733129), wk = 0.0030030 k( 136) = ( 0.0990566 0.0571904 0.1617588), wk = 0.0030030 k( 137) = ( 0.0919811 0.0531053 0.1502046), wk = 0.0030030 k( 138) = ( 0.0849057 0.0490203 0.1386504), wk = 0.0030030 k( 139) = ( 0.0778302 0.0449353 0.1270962), wk = 0.0030030 k( 140) = ( 0.0707547 0.0408503 0.1155420), wk = 0.0030030 k( 141) = ( 0.0636793 0.0367652 0.1039878), wk = 0.0030030 k( 142) = ( 0.0566038 0.0326802 0.0924336), wk = 0.0030030 k( 143) = ( 0.0495283 0.0285952 0.0808794), wk = 0.0030030 k( 144) = ( 0.0424528 0.0245102 0.0693252), wk = 0.0030030 k( 145) = ( 0.0353774 0.0204251 0.0577710), wk = 0.0030030 k( 146) = ( 0.0283019 0.0163401 0.0462168), wk = 0.0030030 k( 147) = ( 0.0212264 0.0122551 0.0346626), wk = 0.0030030 k( 148) = ( 0.0141509 0.0081700 0.0231084), wk = 0.0030030 k( 149) = ( 0.0070755 0.0040850 0.0115542), wk = 0.0030030 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030030 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030030 k( 152) = ( 0.0116279 0.0067134 0.0047471), wk = 0.0030030 k( 153) = ( 0.0232558 0.0134267 0.0094941), wk = 0.0030030 k( 154) = ( 0.0348837 0.0201401 0.0142412), wk = 0.0030030 k( 155) = ( 0.0465116 0.0268535 0.0189883), wk = 0.0030030 k( 156) = ( 0.0581395 0.0335669 0.0237354), wk = 0.0030030 k( 157) = ( 0.0697674 0.0402803 0.0284824), wk = 0.0030030 k( 158) = ( 0.0813954 0.0469936 0.0332295), wk = 0.0030030 k( 159) = ( 0.0930233 0.0537070 0.0379766), wk = 0.0030030 k( 160) = ( 0.1046512 0.0604204 0.0427237), wk = 0.0030030 k( 161) = ( 0.1162791 0.0671338 0.0474707), wk = 0.0030030 k( 162) = ( 0.1279070 0.0738471 0.0522178), wk = 0.0030030 k( 163) = ( 0.1395349 0.0805605 0.0569649), wk = 0.0030030 k( 164) = ( 0.1511628 0.0872739 0.0617120), wk = 0.0030030 k( 165) = ( 0.1627907 0.0939873 0.0664590), wk = 0.0030030 k( 166) = ( 0.1744186 0.1007006 0.0712061), wk = 0.0030030 k( 167) = ( 0.1860465 0.1074140 0.0759532), wk = 0.0030030 k( 168) = ( 0.1976744 0.1141274 0.0807002), wk = 0.0030030 k( 169) = ( 0.2093023 0.1208408 0.0854473), wk = 0.0030030 k( 170) = ( 0.2209302 0.1275541 0.0901944), wk = 0.0030030 k( 171) = ( 0.2325581 0.1342675 0.0949415), wk = 0.0030030 k( 172) = ( 0.2441860 0.1409809 0.0996885), wk = 0.0030030 k( 173) = ( 0.2558140 0.1476943 0.1044356), wk = 0.0030030 k( 174) = ( 0.2674419 0.1544076 0.1091827), wk = 0.0030030 k( 175) = ( 0.2790698 0.1611210 0.1139298), wk = 0.0030030 k( 176) = ( 0.2906977 0.1678344 0.1186768), wk = 0.0030030 k( 177) = ( 0.3023256 0.1745478 0.1234239), wk = 0.0030030 k( 178) = ( 0.3139535 0.1812611 0.1281710), wk = 0.0030030 k( 179) = ( 0.3255814 0.1879745 0.1329180), wk = 0.0030030 k( 180) = ( 0.3372093 0.1946879 0.1376651), wk = 0.0030030 k( 181) = ( 0.3488372 0.2014013 0.1424122), wk = 0.0030030 k( 182) = ( 0.3604651 0.2081146 0.1471593), wk = 0.0030030 k( 183) = ( 0.3720930 0.2148280 0.1519063), wk = 0.0030030 k( 184) = ( 0.3837209 0.2215414 0.1566534), wk = 0.0030030 k( 185) = ( 0.3953488 0.2282548 0.1614005), wk = 0.0030030 k( 186) = ( 0.4069767 0.2349681 0.1661476), wk = 0.0030030 k( 187) = ( 0.4186047 0.2416815 0.1708946), wk = 0.0030030 k( 188) = ( 0.4302326 0.2483949 0.1756417), wk = 0.0030030 k( 189) = ( 0.4418605 0.2551083 0.1803888), wk = 0.0030030 k( 190) = ( 0.4534884 0.2618216 0.1851359), wk = 0.0030030 k( 191) = ( 0.4651163 0.2685350 0.1898829), wk = 0.0030030 k( 192) = ( 0.4767442 0.2752484 0.1946300), wk = 0.0030030 k( 193) = ( 0.4883721 0.2819618 0.1993771), wk = 0.0030030 k( 194) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0030030 k( 195) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0030030 k( 196) = ( 0.5040323 0.2770350 0.2107088), wk = 0.0030030 k( 197) = ( 0.5080645 0.2653949 0.2172934), wk = 0.0030030 k( 198) = ( 0.5120968 0.2537548 0.2238781), wk = 0.0030030 k( 199) = ( 0.5161290 0.2421146 0.2304627), wk = 0.0030030 k( 200) = ( 0.5201613 0.2304745 0.2370474), wk = 0.0030030 k( 201) = ( 0.5241936 0.2188344 0.2436320), wk = 0.0030030 k( 202) = ( 0.5282258 0.2071943 0.2502167), wk = 0.0030030 k( 203) = ( 0.5322581 0.1955541 0.2568013), wk = 0.0030030 k( 204) = ( 0.5362903 0.1839140 0.2633860), wk = 0.0030030 k( 205) = ( 0.5403226 0.1722739 0.2699706), wk = 0.0030030 k( 206) = ( 0.5443548 0.1606337 0.2765553), wk = 0.0030030 k( 207) = ( 0.5483871 0.1489936 0.2831399), wk = 0.0030030 k( 208) = ( 0.5524193 0.1373535 0.2897246), wk = 0.0030030 k( 209) = ( 0.5564516 0.1257134 0.2963092), wk = 0.0030030 k( 210) = ( 0.5604839 0.1140732 0.3028939), wk = 0.0030030 k( 211) = ( 0.5645161 0.1024331 0.3094785), wk = 0.0030030 k( 212) = ( 0.5685484 0.0907930 0.3160632), wk = 0.0030030 k( 213) = ( 0.5725807 0.0791529 0.3226478), wk = 0.0030030 k( 214) = ( 0.5766129 0.0675127 0.3292325), wk = 0.0030030 k( 215) = ( 0.5806452 0.0558726 0.3358171), wk = 0.0030030 k( 216) = ( 0.5846774 0.0442325 0.3424018), wk = 0.0030030 k( 217) = ( 0.5887097 0.0325924 0.3489864), wk = 0.0030030 k( 218) = ( 0.5927419 0.0209522 0.3555711), wk = 0.0030030 k( 219) = ( 0.5967742 0.0093121 0.3621557), wk = 0.0030030 k( 220) = ( 0.6008064 -0.0023280 0.3687404), wk = 0.0030030 k( 221) = ( 0.6048387 -0.0139682 0.3753250), wk = 0.0030030 k( 222) = ( 0.6088710 -0.0256083 0.3819097), wk = 0.0030030 k( 223) = ( 0.6129032 -0.0372484 0.3884943), wk = 0.0030030 k( 224) = ( 0.6169355 -0.0488885 0.3950790), wk = 0.0030030 k( 225) = ( 0.6209677 -0.0605287 0.4016636), wk = 0.0030030 k( 226) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0030030 k( 227) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0030030 k( 228) = ( 0.6180556 -0.0681594 0.4195885), wk = 0.0030030 k( 229) = ( 0.6111111 -0.0641500 0.4309288), wk = 0.0030030 k( 230) = ( 0.6041667 -0.0601407 0.4422690), wk = 0.0030030 k( 231) = ( 0.5972222 -0.0561313 0.4536092), wk = 0.0030030 k( 232) = ( 0.5902778 -0.0521219 0.4649494), wk = 0.0030030 k( 233) = ( 0.5833333 -0.0481125 0.4762897), wk = 0.0030030 k( 234) = ( 0.5763889 -0.0441031 0.4876299), wk = 0.0030030 k( 235) = ( 0.5694444 -0.0400938 0.4989701), wk = 0.0030030 k( 236) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0030030 k( 237) = ( 0.5555556 -0.0320750 0.5216506), wk = 0.0030030 k( 238) = ( 0.5486111 -0.0280656 0.5329908), wk = 0.0030030 k( 239) = ( 0.5416667 -0.0240563 0.5443310), wk = 0.0030030 k( 240) = ( 0.5347222 -0.0200469 0.5556713), wk = 0.0030030 k( 241) = ( 0.5277778 -0.0160375 0.5670115), wk = 0.0030030 k( 242) = ( 0.5208333 -0.0120281 0.5783518), wk = 0.0030030 k( 243) = ( 0.5138889 -0.0080188 0.5896920), wk = 0.0030030 k( 244) = ( 0.5069444 -0.0040094 0.6010322), wk = 0.0030030 k( 245) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0030030 k( 246) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0030030 k( 247) = ( 0.5000000 0.0080187 0.6010322), wk = 0.0030030 k( 248) = ( 0.5000000 0.0160375 0.5896920), wk = 0.0030030 k( 249) = ( 0.5000000 0.0240563 0.5783518), wk = 0.0030030 k( 250) = ( 0.5000000 0.0320750 0.5670115), wk = 0.0030030 k( 251) = ( 0.5000000 0.0400938 0.5556713), wk = 0.0030030 k( 252) = ( 0.5000000 0.0481125 0.5443310), wk = 0.0030030 k( 253) = ( 0.5000000 0.0561313 0.5329908), wk = 0.0030030 k( 254) = ( 0.5000000 0.0641500 0.5216506), wk = 0.0030030 k( 255) = ( 0.5000000 0.0721688 0.5103104), wk = 0.0030030 k( 256) = ( 0.5000000 0.0801875 0.4989701), wk = 0.0030030 k( 257) = ( 0.5000000 0.0882063 0.4876299), wk = 0.0030030 k( 258) = ( 0.5000000 0.0962250 0.4762897), wk = 0.0030030 k( 259) = ( 0.5000000 0.1042438 0.4649494), wk = 0.0030030 k( 260) = ( 0.5000000 0.1122625 0.4536092), wk = 0.0030030 k( 261) = ( 0.5000000 0.1202813 0.4422690), wk = 0.0030030 k( 262) = ( 0.5000000 0.1283001 0.4309288), wk = 0.0030030 k( 263) = ( 0.5000000 0.1363188 0.4195885), wk = 0.0030030 k( 264) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0030030 k( 265) = ( 0.5000000 0.1523563 0.3969081), wk = 0.0030030 k( 266) = ( 0.5000000 0.1603751 0.3855678), wk = 0.0030030 k( 267) = ( 0.5000000 0.1683938 0.3742276), wk = 0.0030030 k( 268) = ( 0.5000000 0.1764126 0.3628874), wk = 0.0030030 k( 269) = ( 0.5000000 0.1844313 0.3515471), wk = 0.0030030 k( 270) = ( 0.5000000 0.1924501 0.3402069), wk = 0.0030030 k( 271) = ( 0.5000000 0.2004688 0.3288667), wk = 0.0030030 k( 272) = ( 0.5000000 0.2084876 0.3175264), wk = 0.0030030 k( 273) = ( 0.5000000 0.2165064 0.3061862), wk = 0.0030030 k( 274) = ( 0.5000000 0.2245251 0.2948460), wk = 0.0030030 k( 275) = ( 0.5000000 0.2325439 0.2835058), wk = 0.0030030 k( 276) = ( 0.5000000 0.2405626 0.2721655), wk = 0.0030030 k( 277) = ( 0.5000000 0.2485814 0.2608253), wk = 0.0030030 k( 278) = ( 0.5000000 0.2566001 0.2494851), wk = 0.0030030 k( 279) = ( 0.5000000 0.2646189 0.2381448), wk = 0.0030030 k( 280) = ( 0.5000000 0.2726376 0.2268046), wk = 0.0030030 k( 281) = ( 0.5000000 0.2806564 0.2154644), wk = 0.0030030 k( 282) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0030030 k( 283) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0030030 k( 284) = ( 0.4959677 0.2863471 0.2172935), wk = 0.0030030 k( 285) = ( 0.4919355 0.2840191 0.2304627), wk = 0.0030030 k( 286) = ( 0.4879032 0.2816911 0.2436320), wk = 0.0030030 k( 287) = ( 0.4838710 0.2793630 0.2568013), wk = 0.0030030 k( 288) = ( 0.4798387 0.2770350 0.2699706), wk = 0.0030030 k( 289) = ( 0.4758064 0.2747070 0.2831399), wk = 0.0030030 k( 290) = ( 0.4717742 0.2723790 0.2963092), wk = 0.0030030 k( 291) = ( 0.4677419 0.2700509 0.3094785), wk = 0.0030030 k( 292) = ( 0.4637097 0.2677229 0.3226478), wk = 0.0030030 k( 293) = ( 0.4596774 0.2653949 0.3358171), wk = 0.0030030 k( 294) = ( 0.4556452 0.2630669 0.3489864), wk = 0.0030030 k( 295) = ( 0.4516129 0.2607388 0.3621557), wk = 0.0030030 k( 296) = ( 0.4475807 0.2584108 0.3753250), wk = 0.0030030 k( 297) = ( 0.4435484 0.2560828 0.3884943), wk = 0.0030030 k( 298) = ( 0.4395161 0.2537548 0.4016636), wk = 0.0030030 k( 299) = ( 0.4354839 0.2514267 0.4148329), wk = 0.0030030 k( 300) = ( 0.4314516 0.2490987 0.4280022), wk = 0.0030030 k( 301) = ( 0.4274193 0.2467707 0.4411715), wk = 0.0030030 k( 302) = ( 0.4233871 0.2444427 0.4543408), wk = 0.0030030 k( 303) = ( 0.4193548 0.2421146 0.4675101), wk = 0.0030030 k( 304) = ( 0.4153226 0.2397866 0.4806794), wk = 0.0030030 k( 305) = ( 0.4112903 0.2374586 0.4938487), wk = 0.0030030 k( 306) = ( 0.4072581 0.2351306 0.5070180), wk = 0.0030030 k( 307) = ( 0.4032258 0.2328025 0.5201873), wk = 0.0030030 k( 308) = ( 0.3991936 0.2304745 0.5333566), wk = 0.0030030 k( 309) = ( 0.3951613 0.2281465 0.5465259), wk = 0.0030030 k( 310) = ( 0.3911290 0.2258185 0.5596952), wk = 0.0030030 k( 311) = ( 0.3870968 0.2234904 0.5728645), wk = 0.0030030 k( 312) = ( 0.3830645 0.2211624 0.5860338), wk = 0.0030030 k( 313) = ( 0.3790323 0.2188344 0.5992031), wk = 0.0030030 k( 314) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0030030 k( 315) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0030030 k( 316) = ( 0.6180556 -0.0841969 0.4082483), wk = 0.0030030 k( 317) = ( 0.6111111 -0.0962250 0.4082483), wk = 0.0030030 k( 318) = ( 0.6041667 -0.1082532 0.4082483), wk = 0.0030030 k( 319) = ( 0.5972222 -0.1202813 0.4082483), wk = 0.0030030 k( 320) = ( 0.5902778 -0.1323094 0.4082483), wk = 0.0030030 k( 321) = ( 0.5833333 -0.1443376 0.4082483), wk = 0.0030030 k( 322) = ( 0.5763889 -0.1563657 0.4082483), wk = 0.0030030 k( 323) = ( 0.5694444 -0.1683938 0.4082483), wk = 0.0030030 k( 324) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0030030 k( 325) = ( 0.5555556 -0.1924501 0.4082483), wk = 0.0030030 k( 326) = ( 0.5486111 -0.2044782 0.4082483), wk = 0.0030030 k( 327) = ( 0.5416667 -0.2165064 0.4082483), wk = 0.0030030 k( 328) = ( 0.5347222 -0.2285345 0.4082483), wk = 0.0030030 k( 329) = ( 0.5277778 -0.2405626 0.4082483), wk = 0.0030030 k( 330) = ( 0.5208333 -0.2525907 0.4082483), wk = 0.0030030 k( 331) = ( 0.5138889 -0.2646189 0.4082483), wk = 0.0030030 k( 332) = ( 0.5069444 -0.2766470 0.4082483), wk = 0.0030030 k( 333) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0030030 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030030 k( 2) = ( 0.0100000 0.0000000 0.0100000), wk = 0.0030030 k( 3) = ( 0.0200000 0.0000000 0.0200000), wk = 0.0030030 k( 4) = ( 0.0300000 0.0000000 0.0300000), wk = 0.0030030 k( 5) = ( 0.0400000 0.0000000 0.0400000), wk = 0.0030030 k( 6) = ( 0.0500000 -0.0000000 0.0500000), wk = 0.0030030 k( 7) = ( 0.0600000 0.0000000 0.0600000), wk = 0.0030030 k( 8) = ( 0.0700000 0.0000000 0.0700000), wk = 0.0030030 k( 9) = ( 0.0800000 0.0000000 0.0800000), wk = 0.0030030 k( 10) = ( 0.0900000 0.0000000 0.0900000), wk = 0.0030030 k( 11) = ( 0.1000000 -0.0000000 0.1000000), wk = 0.0030030 k( 12) = ( 0.1100000 -0.0000000 0.1100000), wk = 0.0030030 k( 13) = ( 0.1200000 0.0000000 0.1200000), wk = 0.0030030 k( 14) = ( 0.1300000 0.0000000 0.1300000), wk = 0.0030030 k( 15) = ( 0.1400000 0.0000000 0.1400000), wk = 0.0030030 k( 16) = ( 0.1500000 0.0000000 0.1500000), wk = 0.0030030 k( 17) = ( 0.1600000 0.0000000 0.1600000), wk = 0.0030030 k( 18) = ( 0.1700000 0.0000000 0.1700000), wk = 0.0030030 k( 19) = ( 0.1800000 0.0000000 0.1800000), wk = 0.0030030 k( 20) = ( 0.1900000 0.0000000 0.1900000), wk = 0.0030030 k( 21) = ( 0.2000000 -0.0000000 0.2000000), wk = 0.0030030 k( 22) = ( 0.2100000 0.0000000 0.2100000), wk = 0.0030030 k( 23) = ( 0.2200000 -0.0000000 0.2200000), wk = 0.0030030 k( 24) = ( 0.2300000 0.0000000 0.2300000), wk = 0.0030030 k( 25) = ( 0.2400000 0.0000000 0.2400000), wk = 0.0030030 k( 26) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0030030 k( 27) = ( 0.2600000 0.0000000 0.2600000), wk = 0.0030030 k( 28) = ( 0.2700000 0.0000000 0.2700000), wk = 0.0030030 k( 29) = ( 0.2800000 0.0000000 0.2800000), wk = 0.0030030 k( 30) = ( 0.2900000 -0.0000000 0.2900000), wk = 0.0030030 k( 31) = ( 0.3000000 0.0000000 0.3000000), wk = 0.0030030 k( 32) = ( 0.3100000 -0.0000000 0.3100000), wk = 0.0030030 k( 33) = ( 0.3200000 0.0000000 0.3200000), wk = 0.0030030 k( 34) = ( 0.3300000 -0.0000000 0.3300000), wk = 0.0030030 k( 35) = ( 0.3400000 0.0000000 0.3400000), wk = 0.0030030 k( 36) = ( 0.3500000 0.0000000 0.3500000), wk = 0.0030030 k( 37) = ( 0.3600000 0.0000000 0.3600000), wk = 0.0030030 k( 38) = ( 0.3700000 -0.0000000 0.3700000), wk = 0.0030030 k( 39) = ( 0.3800000 0.0000000 0.3800000), wk = 0.0030030 k( 40) = ( 0.3900000 -0.0000000 0.3900000), wk = 0.0030030 k( 41) = ( 0.4000000 -0.0000000 0.4000000), wk = 0.0030030 k( 42) = ( 0.4100000 -0.0000000 0.4100000), wk = 0.0030030 k( 43) = ( 0.4200000 0.0000000 0.4200000), wk = 0.0030030 k( 44) = ( 0.4300000 0.0000000 0.4300000), wk = 0.0030030 k( 45) = ( 0.4400000 -0.0000000 0.4400000), wk = 0.0030030 k( 46) = ( 0.4500000 0.0000000 0.4500000), wk = 0.0030030 k( 47) = ( 0.4600000 0.0000000 0.4600000), wk = 0.0030030 k( 48) = ( 0.4700000 -0.0000000 0.4700000), wk = 0.0030030 k( 49) = ( 0.4800000 0.0000000 0.4800000), wk = 0.0030030 k( 50) = ( 0.4900000 -0.0000000 0.4900000), wk = 0.0030030 k( 51) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030030 k( 52) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030030 k( 53) = ( 0.5000000 0.0100000 0.5100000), wk = 0.0030030 k( 54) = ( 0.5000000 0.0200000 0.5200000), wk = 0.0030030 k( 55) = ( 0.5000000 0.0300000 0.5300000), wk = 0.0030030 k( 56) = ( 0.5000000 0.0400000 0.5400000), wk = 0.0030030 k( 57) = ( 0.5000000 0.0500000 0.5500000), wk = 0.0030030 k( 58) = ( 0.5000000 0.0600000 0.5600000), wk = 0.0030030 k( 59) = ( 0.5000000 0.0700000 0.5700000), wk = 0.0030030 k( 60) = ( 0.5000000 0.0800000 0.5800000), wk = 0.0030030 k( 61) = ( 0.5000000 0.0900000 0.5900000), wk = 0.0030030 k( 62) = ( 0.5000000 0.1000000 0.6000000), wk = 0.0030030 k( 63) = ( 0.5000000 0.1100000 0.6100000), wk = 0.0030030 k( 64) = ( 0.5000000 0.1200000 0.6200000), wk = 0.0030030 k( 65) = ( 0.5000000 0.1300000 0.6300000), wk = 0.0030030 k( 66) = ( 0.5000000 0.1400000 0.6400000), wk = 0.0030030 k( 67) = ( 0.5000000 0.1500000 0.6500000), wk = 0.0030030 k( 68) = ( 0.5000000 0.1600000 0.6600000), wk = 0.0030030 k( 69) = ( 0.5000000 0.1700000 0.6700000), wk = 0.0030030 k( 70) = ( 0.5000000 0.1800000 0.6800000), wk = 0.0030030 k( 71) = ( 0.5000000 0.1900000 0.6900000), wk = 0.0030030 k( 72) = ( 0.5000000 0.2000000 0.7000000), wk = 0.0030030 k( 73) = ( 0.5000000 0.2100000 0.7100000), wk = 0.0030030 k( 74) = ( 0.5000000 0.2200000 0.7200000), wk = 0.0030030 k( 75) = ( 0.5000000 0.2300000 0.7300000), wk = 0.0030030 k( 76) = ( 0.5000000 0.2400000 0.7400000), wk = 0.0030030 k( 77) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0030030 k( 78) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0030030 k( 79) = ( 0.4930556 0.2569444 0.7500000), wk = 0.0030030 k( 80) = ( 0.4861111 0.2638889 0.7500000), wk = 0.0030030 k( 81) = ( 0.4791667 0.2708333 0.7500000), wk = 0.0030030 k( 82) = ( 0.4722222 0.2777778 0.7500000), wk = 0.0030030 k( 83) = ( 0.4652778 0.2847222 0.7500000), wk = 0.0030030 k( 84) = ( 0.4583333 0.2916667 0.7500000), wk = 0.0030030 k( 85) = ( 0.4513889 0.2986111 0.7500000), wk = 0.0030030 k( 86) = ( 0.4444444 0.3055556 0.7500000), wk = 0.0030030 k( 87) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0030030 k( 88) = ( 0.4305556 0.3194444 0.7500000), wk = 0.0030030 k( 89) = ( 0.4236111 0.3263889 0.7500000), wk = 0.0030030 k( 90) = ( 0.4166667 0.3333333 0.7500000), wk = 0.0030030 k( 91) = ( 0.4097222 0.3402778 0.7500000), wk = 0.0030030 k( 92) = ( 0.4027778 0.3472222 0.7500000), wk = 0.0030030 k( 93) = ( 0.3958333 0.3541667 0.7500000), wk = 0.0030030 k( 94) = ( 0.3888889 0.3611111 0.7500000), wk = 0.0030030 k( 95) = ( 0.3819444 0.3680556 0.7500000), wk = 0.0030030 k( 96) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0030030 k( 97) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0030030 k( 98) = ( 0.3679245 0.3679245 0.7358491), wk = 0.0030030 k( 99) = ( 0.3608491 0.3608491 0.7216981), wk = 0.0030030 k( 100) = ( 0.3537736 0.3537736 0.7075472), wk = 0.0030030 k( 101) = ( 0.3466981 0.3466981 0.6933962), wk = 0.0030030 k( 102) = ( 0.3396226 0.3396226 0.6792453), wk = 0.0030030 k( 103) = ( 0.3325472 0.3325472 0.6650943), wk = 0.0030030 k( 104) = ( 0.3254717 0.3254717 0.6509434), wk = 0.0030030 k( 105) = ( 0.3183962 0.3183962 0.6367924), wk = 0.0030030 k( 106) = ( 0.3113207 0.3113207 0.6226415), wk = 0.0030030 k( 107) = ( 0.3042453 0.3042453 0.6084906), wk = 0.0030030 k( 108) = ( 0.2971698 0.2971698 0.5943396), wk = 0.0030030 k( 109) = ( 0.2900943 0.2900943 0.5801887), wk = 0.0030030 k( 110) = ( 0.2830189 0.2830189 0.5660377), wk = 0.0030030 k( 111) = ( 0.2759434 0.2759434 0.5518868), wk = 0.0030030 k( 112) = ( 0.2688679 0.2688679 0.5377358), wk = 0.0030030 k( 113) = ( 0.2617925 0.2617925 0.5235849), wk = 0.0030030 k( 114) = ( 0.2547170 0.2547170 0.5094340), wk = 0.0030030 k( 115) = ( 0.2476415 0.2476415 0.4952830), wk = 0.0030030 k( 116) = ( 0.2405660 0.2405660 0.4811321), wk = 0.0030030 k( 117) = ( 0.2334906 0.2334906 0.4669811), wk = 0.0030030 k( 118) = ( 0.2264151 0.2264151 0.4528302), wk = 0.0030030 k( 119) = ( 0.2193396 0.2193396 0.4386792), wk = 0.0030030 k( 120) = ( 0.2122642 0.2122641 0.4245283), wk = 0.0030030 k( 121) = ( 0.2051887 0.2051887 0.4103774), wk = 0.0030030 k( 122) = ( 0.1981132 0.1981132 0.3962264), wk = 0.0030030 k( 123) = ( 0.1910377 0.1910377 0.3820755), wk = 0.0030030 k( 124) = ( 0.1839623 0.1839623 0.3679245), wk = 0.0030030 k( 125) = ( 0.1768868 0.1768868 0.3537736), wk = 0.0030030 k( 126) = ( 0.1698113 0.1698113 0.3396226), wk = 0.0030030 k( 127) = ( 0.1627358 0.1627358 0.3254717), wk = 0.0030030 k( 128) = ( 0.1556604 0.1556604 0.3113207), wk = 0.0030030 k( 129) = ( 0.1485849 0.1485849 0.2971698), wk = 0.0030030 k( 130) = ( 0.1415094 0.1415094 0.2830189), wk = 0.0030030 k( 131) = ( 0.1344340 0.1344340 0.2688679), wk = 0.0030030 k( 132) = ( 0.1273585 0.1273585 0.2547170), wk = 0.0030030 k( 133) = ( 0.1202830 0.1202830 0.2405660), wk = 0.0030030 k( 134) = ( 0.1132076 0.1132075 0.2264151), wk = 0.0030030 k( 135) = ( 0.1061321 0.1061321 0.2122641), wk = 0.0030030 k( 136) = ( 0.0990566 0.0990566 0.1981132), wk = 0.0030030 k( 137) = ( 0.0919811 0.0919811 0.1839623), wk = 0.0030030 k( 138) = ( 0.0849057 0.0849057 0.1698113), wk = 0.0030030 k( 139) = ( 0.0778302 0.0778302 0.1556604), wk = 0.0030030 k( 140) = ( 0.0707547 0.0707547 0.1415094), wk = 0.0030030 k( 141) = ( 0.0636793 0.0636793 0.1273585), wk = 0.0030030 k( 142) = ( 0.0566038 0.0566038 0.1132075), wk = 0.0030030 k( 143) = ( 0.0495283 0.0495283 0.0990566), wk = 0.0030030 k( 144) = ( 0.0424528 0.0424528 0.0849057), wk = 0.0030030 k( 145) = ( 0.0353774 0.0353774 0.0707547), wk = 0.0030030 k( 146) = ( 0.0283019 0.0283019 0.0566038), wk = 0.0030030 k( 147) = ( 0.0212264 0.0212264 0.0424528), wk = 0.0030030 k( 148) = ( 0.0141509 0.0141509 0.0283019), wk = 0.0030030 k( 149) = ( 0.0070755 0.0070755 0.0141509), wk = 0.0030030 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030030 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030030 k( 152) = ( 0.0116279 0.0116279 0.0116279), wk = 0.0030030 k( 153) = ( 0.0232558 0.0232558 0.0232558), wk = 0.0030030 k( 154) = ( 0.0348837 0.0348837 0.0348837), wk = 0.0030030 k( 155) = ( 0.0465116 0.0465116 0.0465116), wk = 0.0030030 k( 156) = ( 0.0581395 0.0581395 0.0581395), wk = 0.0030030 k( 157) = ( 0.0697674 0.0697674 0.0697674), wk = 0.0030030 k( 158) = ( 0.0813954 0.0813953 0.0813953), wk = 0.0030030 k( 159) = ( 0.0930233 0.0930233 0.0930233), wk = 0.0030030 k( 160) = ( 0.1046512 0.1046512 0.1046512), wk = 0.0030030 k( 161) = ( 0.1162791 0.1162791 0.1162791), wk = 0.0030030 k( 162) = ( 0.1279070 0.1279070 0.1279070), wk = 0.0030030 k( 163) = ( 0.1395349 0.1395349 0.1395349), wk = 0.0030030 k( 164) = ( 0.1511628 0.1511628 0.1511628), wk = 0.0030030 k( 165) = ( 0.1627907 0.1627907 0.1627907), wk = 0.0030030 k( 166) = ( 0.1744186 0.1744186 0.1744186), wk = 0.0030030 k( 167) = ( 0.1860465 0.1860465 0.1860465), wk = 0.0030030 k( 168) = ( 0.1976744 0.1976744 0.1976744), wk = 0.0030030 k( 169) = ( 0.2093023 0.2093023 0.2093023), wk = 0.0030030 k( 170) = ( 0.2209302 0.2209302 0.2209302), wk = 0.0030030 k( 171) = ( 0.2325581 0.2325581 0.2325581), wk = 0.0030030 k( 172) = ( 0.2441860 0.2441860 0.2441860), wk = 0.0030030 k( 173) = ( 0.2558140 0.2558140 0.2558139), wk = 0.0030030 k( 174) = ( 0.2674419 0.2674419 0.2674419), wk = 0.0030030 k( 175) = ( 0.2790698 0.2790698 0.2790698), wk = 0.0030030 k( 176) = ( 0.2906977 0.2906977 0.2906977), wk = 0.0030030 k( 177) = ( 0.3023256 0.3023256 0.3023256), wk = 0.0030030 k( 178) = ( 0.3139535 0.3139535 0.3139535), wk = 0.0030030 k( 179) = ( 0.3255814 0.3255814 0.3255814), wk = 0.0030030 k( 180) = ( 0.3372093 0.3372093 0.3372093), wk = 0.0030030 k( 181) = ( 0.3488372 0.3488372 0.3488372), wk = 0.0030030 k( 182) = ( 0.3604651 0.3604651 0.3604651), wk = 0.0030030 k( 183) = ( 0.3720930 0.3720930 0.3720930), wk = 0.0030030 k( 184) = ( 0.3837209 0.3837209 0.3837209), wk = 0.0030030 k( 185) = ( 0.3953488 0.3953488 0.3953488), wk = 0.0030030 k( 186) = ( 0.4069767 0.4069767 0.4069767), wk = 0.0030030 k( 187) = ( 0.4186047 0.4186046 0.4186046), wk = 0.0030030 k( 188) = ( 0.4302326 0.4302326 0.4302326), wk = 0.0030030 k( 189) = ( 0.4418605 0.4418605 0.4418605), wk = 0.0030030 k( 190) = ( 0.4534884 0.4534884 0.4534884), wk = 0.0030030 k( 191) = ( 0.4651163 0.4651163 0.4651163), wk = 0.0030030 k( 192) = ( 0.4767442 0.4767442 0.4767442), wk = 0.0030030 k( 193) = ( 0.4883721 0.4883721 0.4883721), wk = 0.0030030 k( 194) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030030 k( 195) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030030 k( 196) = ( 0.5040323 0.4919355 0.5040323), wk = 0.0030030 k( 197) = ( 0.5080645 0.4838710 0.5080645), wk = 0.0030030 k( 198) = ( 0.5120968 0.4758064 0.5120968), wk = 0.0030030 k( 199) = ( 0.5161290 0.4677419 0.5161290), wk = 0.0030030 k( 200) = ( 0.5201613 0.4596774 0.5201613), wk = 0.0030030 k( 201) = ( 0.5241936 0.4516129 0.5241936), wk = 0.0030030 k( 202) = ( 0.5282258 0.4435484 0.5282258), wk = 0.0030030 k( 203) = ( 0.5322581 0.4354839 0.5322581), wk = 0.0030030 k( 204) = ( 0.5362903 0.4274193 0.5362903), wk = 0.0030030 k( 205) = ( 0.5403226 0.4193548 0.5403226), wk = 0.0030030 k( 206) = ( 0.5443548 0.4112903 0.5443548), wk = 0.0030030 k( 207) = ( 0.5483871 0.4032258 0.5483871), wk = 0.0030030 k( 208) = ( 0.5524193 0.3951613 0.5524193), wk = 0.0030030 k( 209) = ( 0.5564516 0.3870968 0.5564516), wk = 0.0030030 k( 210) = ( 0.5604839 0.3790323 0.5604839), wk = 0.0030030 k( 211) = ( 0.5645161 0.3709677 0.5645161), wk = 0.0030030 k( 212) = ( 0.5685484 0.3629032 0.5685484), wk = 0.0030030 k( 213) = ( 0.5725807 0.3548387 0.5725807), wk = 0.0030030 k( 214) = ( 0.5766129 0.3467742 0.5766129), wk = 0.0030030 k( 215) = ( 0.5806452 0.3387097 0.5806452), wk = 0.0030030 k( 216) = ( 0.5846774 0.3306452 0.5846774), wk = 0.0030030 k( 217) = ( 0.5887097 0.3225806 0.5887097), wk = 0.0030030 k( 218) = ( 0.5927419 0.3145161 0.5927419), wk = 0.0030030 k( 219) = ( 0.5967742 0.3064516 0.5967742), wk = 0.0030030 k( 220) = ( 0.6008064 0.2983871 0.6008064), wk = 0.0030030 k( 221) = ( 0.6048387 0.2903226 0.6048387), wk = 0.0030030 k( 222) = ( 0.6088710 0.2822581 0.6088710), wk = 0.0030030 k( 223) = ( 0.6129032 0.2741935 0.6129032), wk = 0.0030030 k( 224) = ( 0.6169355 0.2661290 0.6169355), wk = 0.0030030 k( 225) = ( 0.6209677 0.2580645 0.6209677), wk = 0.0030030 k( 226) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0030030 k( 227) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0030030 k( 228) = ( 0.6180556 0.2500000 0.6319444), wk = 0.0030030 k( 229) = ( 0.6111111 0.2500000 0.6388889), wk = 0.0030030 k( 230) = ( 0.6041667 0.2500000 0.6458333), wk = 0.0030030 k( 231) = ( 0.5972222 0.2500000 0.6527778), wk = 0.0030030 k( 232) = ( 0.5902778 0.2500000 0.6597222), wk = 0.0030030 k( 233) = ( 0.5833333 0.2500000 0.6666667), wk = 0.0030030 k( 234) = ( 0.5763889 0.2500000 0.6736111), wk = 0.0030030 k( 235) = ( 0.5694444 0.2500000 0.6805556), wk = 0.0030030 k( 236) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0030030 k( 237) = ( 0.5555556 0.2500000 0.6944444), wk = 0.0030030 k( 238) = ( 0.5486111 0.2500000 0.7013889), wk = 0.0030030 k( 239) = ( 0.5416667 0.2500000 0.7083333), wk = 0.0030030 k( 240) = ( 0.5347222 0.2500000 0.7152778), wk = 0.0030030 k( 241) = ( 0.5277778 0.2500000 0.7222222), wk = 0.0030030 k( 242) = ( 0.5208333 0.2500000 0.7291667), wk = 0.0030030 k( 243) = ( 0.5138889 0.2500000 0.7361111), wk = 0.0030030 k( 244) = ( 0.5069444 0.2500000 0.7430556), wk = 0.0030030 k( 245) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0030030 k( 246) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0030030 k( 247) = ( 0.5000000 0.2569444 0.7430556), wk = 0.0030030 k( 248) = ( 0.5000000 0.2638889 0.7361111), wk = 0.0030030 k( 249) = ( 0.5000000 0.2708333 0.7291667), wk = 0.0030030 k( 250) = ( 0.5000000 0.2777778 0.7222222), wk = 0.0030030 k( 251) = ( 0.5000000 0.2847222 0.7152778), wk = 0.0030030 k( 252) = ( 0.5000000 0.2916667 0.7083333), wk = 0.0030030 k( 253) = ( 0.5000000 0.2986111 0.7013889), wk = 0.0030030 k( 254) = ( 0.5000000 0.3055556 0.6944444), wk = 0.0030030 k( 255) = ( 0.5000000 0.3125000 0.6875000), wk = 0.0030030 k( 256) = ( 0.5000000 0.3194444 0.6805556), wk = 0.0030030 k( 257) = ( 0.5000000 0.3263889 0.6736111), wk = 0.0030030 k( 258) = ( 0.5000000 0.3333333 0.6666667), wk = 0.0030030 k( 259) = ( 0.5000000 0.3402778 0.6597222), wk = 0.0030030 k( 260) = ( 0.5000000 0.3472222 0.6527778), wk = 0.0030030 k( 261) = ( 0.5000000 0.3541667 0.6458333), wk = 0.0030030 k( 262) = ( 0.5000000 0.3611111 0.6388889), wk = 0.0030030 k( 263) = ( 0.5000000 0.3680556 0.6319444), wk = 0.0030030 k( 264) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0030030 k( 265) = ( 0.5000000 0.3819444 0.6180556), wk = 0.0030030 k( 266) = ( 0.5000000 0.3888889 0.6111111), wk = 0.0030030 k( 267) = ( 0.5000000 0.3958333 0.6041667), wk = 0.0030030 k( 268) = ( 0.5000000 0.4027778 0.5972222), wk = 0.0030030 k( 269) = ( 0.5000000 0.4097222 0.5902778), wk = 0.0030030 k( 270) = ( 0.5000000 0.4166667 0.5833333), wk = 0.0030030 k( 271) = ( 0.5000000 0.4236111 0.5763889), wk = 0.0030030 k( 272) = ( 0.5000000 0.4305556 0.5694444), wk = 0.0030030 k( 273) = ( 0.5000000 0.4375000 0.5625000), wk = 0.0030030 k( 274) = ( 0.5000000 0.4444444 0.5555556), wk = 0.0030030 k( 275) = ( 0.5000000 0.4513889 0.5486111), wk = 0.0030030 k( 276) = ( 0.5000000 0.4583333 0.5416667), wk = 0.0030030 k( 277) = ( 0.5000000 0.4652778 0.5347222), wk = 0.0030030 k( 278) = ( 0.5000000 0.4722222 0.5277778), wk = 0.0030030 k( 279) = ( 0.5000000 0.4791667 0.5208333), wk = 0.0030030 k( 280) = ( 0.5000000 0.4861111 0.5138889), wk = 0.0030030 k( 281) = ( 0.5000000 0.4930556 0.5069444), wk = 0.0030030 k( 282) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030030 k( 283) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030030 k( 284) = ( 0.4959677 0.4959677 0.5080645), wk = 0.0030030 k( 285) = ( 0.4919355 0.4919355 0.5161290), wk = 0.0030030 k( 286) = ( 0.4879032 0.4879032 0.5241936), wk = 0.0030030 k( 287) = ( 0.4838710 0.4838710 0.5322581), wk = 0.0030030 k( 288) = ( 0.4798387 0.4798387 0.5403226), wk = 0.0030030 k( 289) = ( 0.4758064 0.4758064 0.5483871), wk = 0.0030030 k( 290) = ( 0.4717742 0.4717742 0.5564516), wk = 0.0030030 k( 291) = ( 0.4677419 0.4677419 0.5645161), wk = 0.0030030 k( 292) = ( 0.4637097 0.4637097 0.5725807), wk = 0.0030030 k( 293) = ( 0.4596774 0.4596774 0.5806452), wk = 0.0030030 k( 294) = ( 0.4556452 0.4556452 0.5887097), wk = 0.0030030 k( 295) = ( 0.4516129 0.4516129 0.5967742), wk = 0.0030030 k( 296) = ( 0.4475807 0.4475807 0.6048387), wk = 0.0030030 k( 297) = ( 0.4435484 0.4435484 0.6129032), wk = 0.0030030 k( 298) = ( 0.4395161 0.4395161 0.6209677), wk = 0.0030030 k( 299) = ( 0.4354839 0.4354839 0.6290323), wk = 0.0030030 k( 300) = ( 0.4314516 0.4314516 0.6370968), wk = 0.0030030 k( 301) = ( 0.4274193 0.4274193 0.6451613), wk = 0.0030030 k( 302) = ( 0.4233871 0.4233871 0.6532258), wk = 0.0030030 k( 303) = ( 0.4193548 0.4193548 0.6612903), wk = 0.0030030 k( 304) = ( 0.4153226 0.4153226 0.6693548), wk = 0.0030030 k( 305) = ( 0.4112903 0.4112903 0.6774193), wk = 0.0030030 k( 306) = ( 0.4072581 0.4072581 0.6854839), wk = 0.0030030 k( 307) = ( 0.4032258 0.4032258 0.6935484), wk = 0.0030030 k( 308) = ( 0.3991936 0.3991935 0.7016129), wk = 0.0030030 k( 309) = ( 0.3951613 0.3951613 0.7096774), wk = 0.0030030 k( 310) = ( 0.3911290 0.3911290 0.7177419), wk = 0.0030030 k( 311) = ( 0.3870968 0.3870968 0.7258064), wk = 0.0030030 k( 312) = ( 0.3830645 0.3830645 0.7338710), wk = 0.0030030 k( 313) = ( 0.3790323 0.3790323 0.7419355), wk = 0.0030030 k( 314) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0030030 k( 315) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0030030 k( 316) = ( 0.6180556 0.2361111 0.6180556), wk = 0.0030030 k( 317) = ( 0.6111111 0.2222222 0.6111111), wk = 0.0030030 k( 318) = ( 0.6041667 0.2083333 0.6041667), wk = 0.0030030 k( 319) = ( 0.5972222 0.1944444 0.5972222), wk = 0.0030030 k( 320) = ( 0.5902778 0.1805556 0.5902778), wk = 0.0030030 k( 321) = ( 0.5833333 0.1666667 0.5833333), wk = 0.0030030 k( 322) = ( 0.5763889 0.1527778 0.5763889), wk = 0.0030030 k( 323) = ( 0.5694444 0.1388889 0.5694444), wk = 0.0030030 k( 324) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0030030 k( 325) = ( 0.5555556 0.1111111 0.5555556), wk = 0.0030030 k( 326) = ( 0.5486111 0.0972222 0.5486111), wk = 0.0030030 k( 327) = ( 0.5416667 0.0833333 0.5416667), wk = 0.0030030 k( 328) = ( 0.5347222 0.0694444 0.5347222), wk = 0.0030030 k( 329) = ( 0.5277778 0.0555556 0.5277778), wk = 0.0030030 k( 330) = ( 0.5208333 0.0416667 0.5208333), wk = 0.0030030 k( 331) = ( 0.5138889 0.0277778 0.5138889), wk = 0.0030030 k( 332) = ( 0.5069444 0.0138889 0.5069444), wk = 0.0030030 k( 333) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030030 Dense grid: 41151 G-vectors FFT dimensions: ( 50, 50, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.19 Mb ( 302, 42) NL pseudopotentials 0.24 Mb ( 151, 102) Each V/rho on FFT grid 0.08 Mb ( 5000) Each G-vector array 0.01 Mb ( 1143) G-vector shells 0.00 Mb ( 332) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.77 Mb ( 302, 168) Each subspace H/S matrix 0.03 Mb ( 42, 42) Each matrix 0.13 Mb ( 102, 2, 42) The potential is recalculated from file : ./TiFeSn.save/charge-density.dat Starting wfc are 36 randomized atomic wfcs + 6 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.8 secs Computing kpt #: 2 total cpu time spent up to now is 3.4 secs Computing kpt #: 3 total cpu time spent up to now is 4.0 secs Computing kpt #: 4 total cpu time spent up to now is 4.6 secs Computing kpt #: 5 total cpu time spent up to now is 5.2 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 6.5 secs Computing kpt #: 8 total cpu time spent up to now is 7.0 secs Computing kpt #: 9 total cpu time spent up to now is 7.6 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 8.7 secs Computing kpt #: 12 total cpu time spent up to now is 9.3 secs Computing kpt #: 13 total cpu time spent up to now is 9.9 secs Computing kpt #: 14 total cpu time spent up to now is 10.5 secs Computing kpt #: 15 total cpu time spent up to now is 11.0 secs Computing kpt #: 16 total cpu time spent up to now is 11.6 secs Computing kpt #: 17 total cpu time spent up to now is 12.2 secs Computing kpt #: 18 total cpu time spent up to now is 12.9 secs Computing kpt #: 19 total cpu time spent up to now is 13.5 secs Computing kpt #: 20 total cpu time spent up to now is 14.2 secs Computing kpt #: 21 total cpu time spent up to now is 14.8 secs Computing kpt #: 22 total cpu time spent up to now is 15.5 secs Computing kpt #: 23 total cpu time spent up to now is 16.2 secs Computing kpt #: 24 total cpu time spent up to now is 17.1 secs Computing kpt #: 25 total cpu time spent up to now is 17.9 secs Computing kpt #: 26 total cpu time spent up to now is 18.7 secs Computing kpt #: 27 total cpu time spent up to now is 19.5 secs Computing kpt #: 28 total cpu time spent up to now is 20.5 secs Computing kpt #: 29 total cpu time spent up to now is 21.5 secs Computing kpt #: 30 total cpu time spent up to now is 22.5 secs Computing kpt #: 31 total cpu time spent up to now is 23.5 secs Computing kpt #: 32 total cpu time spent up to now is 24.5 secs Computing kpt #: 33 total cpu time spent up to now is 25.3 secs Computing kpt #: 34 total cpu time spent up to now is 26.2 secs Computing kpt #: 35 total cpu time spent up to now is 26.9 secs Computing kpt #: 36 total cpu time spent up to now is 27.6 secs Computing kpt #: 37 total cpu time spent up to now is 28.3 secs Computing kpt #: 38 total cpu time spent up to now is 29.2 secs Computing kpt #: 39 total cpu time spent up to now is 30.1 secs Computing kpt #: 40 total cpu time spent up to now is 30.9 secs Computing kpt #: 41 total cpu time spent up to now is 31.7 secs Computing kpt #: 42 total cpu time spent up to now is 32.5 secs Computing kpt #: 43 total cpu time spent up to now is 33.3 secs Computing kpt #: 44 total cpu time spent up to now is 34.0 secs Computing kpt #: 45 total cpu time spent up to now is 34.8 secs Computing kpt #: 46 total cpu time spent up to now is 35.5 secs Computing kpt #: 47 total cpu time spent up to now is 36.2 secs Computing kpt #: 48 total cpu time spent up to now is 36.9 secs Computing kpt #: 49 total cpu time spent up to now is 37.5 secs Computing kpt #: 50 total cpu time spent up to now is 38.1 secs Computing kpt #: 51 total cpu time spent up to now is 38.9 secs Computing kpt #: 52 total cpu time spent up to now is 39.7 secs Computing kpt #: 53 total cpu time spent up to now is 40.4 secs Computing kpt #: 54 total cpu time spent up to now is 41.1 secs Computing kpt #: 55 total cpu time spent up to now is 41.8 secs Computing kpt #: 56 total cpu time spent up to now is 42.5 secs Computing kpt #: 57 total cpu time spent up to now is 43.2 secs Computing kpt #: 58 total cpu time spent up to now is 44.0 secs Computing kpt #: 59 total cpu time spent up to now is 44.7 secs Computing kpt #: 60 total cpu time spent up to now is 45.5 secs Computing kpt #: 61 total cpu time spent up to now is 46.4 secs Computing kpt #: 62 total cpu time spent up to now is 47.1 secs Computing kpt #: 63 total cpu time spent up to now is 47.9 secs Computing kpt #: 64 total cpu time spent up to now is 48.7 secs Computing kpt #: 65 total cpu time spent up to now is 49.5 secs Computing kpt #: 66 total cpu time spent up to now is 50.3 secs Computing kpt #: 67 total cpu time spent up to now is 51.1 secs Computing kpt #: 68 total cpu time spent up to now is 51.9 secs Computing kpt #: 69 total cpu time spent up to now is 52.7 secs Computing kpt #: 70 total cpu time spent up to now is 53.5 secs Computing kpt #: 71 total cpu time spent up to now is 54.3 secs Computing kpt #: 72 total cpu time spent up to now is 55.1 secs Computing kpt #: 73 total cpu time spent up to now is 55.9 secs Computing kpt #: 74 total cpu time spent up to now is 56.7 secs Computing kpt #: 75 total cpu time spent up to now is 57.5 secs Computing kpt #: 76 total cpu time spent up to now is 58.3 secs Computing kpt #: 77 total cpu time spent up to now is 59.1 secs Computing kpt #: 78 total cpu time spent up to now is 59.9 secs Computing kpt #: 79 total cpu time spent up to now is 60.6 secs Computing kpt #: 80 total cpu time spent up to now is 61.5 secs Computing kpt #: 81 total cpu time spent up to now is 62.2 secs Computing kpt #: 82 total cpu time spent up to now is 63.0 secs Computing kpt #: 83 total cpu time spent up to now is 63.9 secs Computing kpt #: 84 total cpu time spent up to now is 64.7 secs Computing kpt #: 85 total cpu time spent up to now is 65.5 secs Computing kpt #: 86 total cpu time spent up to now is 66.3 secs Computing kpt #: 87 total cpu time spent up to now is 67.1 secs Computing kpt #: 88 total cpu time spent up to now is 67.9 secs Computing kpt #: 89 total cpu time spent up to now is 68.7 secs Computing kpt #: 90 total cpu time spent up to now is 69.5 secs Computing kpt #: 91 total cpu time spent up to now is 70.3 secs Computing kpt #: 92 total cpu time spent up to now is 71.1 secs Computing kpt #: 93 total cpu time spent up to now is 71.9 secs Computing kpt #: 94 total cpu time spent up to now is 72.7 secs Computing kpt #: 95 total cpu time spent up to now is 73.5 secs Computing kpt #: 96 total cpu time spent up to now is 74.3 secs Computing kpt #: 97 total cpu time spent up to now is 75.1 secs Computing kpt #: 98 total cpu time spent up to now is 75.9 secs Computing kpt #: 99 total cpu time spent up to now is 76.5 secs Computing kpt #: 100 total cpu time spent up to now is 77.3 secs Computing kpt #: 101 total cpu time spent up to now is 78.0 secs Computing kpt #: 102 total cpu time spent up to now is 78.7 secs Computing kpt #: 103 total cpu time spent up to now is 79.4 secs Computing kpt #: 104 total cpu time spent up to now is 80.2 secs Computing kpt #: 105 total cpu time spent up to now is 80.9 secs Computing kpt #: 106 total cpu time spent up to now is 81.7 secs Computing kpt #: 107 total cpu time spent up to now is 82.4 secs Computing kpt #: 108 total cpu time spent up to now is 83.2 secs Computing kpt #: 109 total cpu time spent up to now is 84.0 secs Computing kpt #: 110 total cpu time spent up to now is 84.6 secs Computing kpt #: 111 total cpu time spent up to now is 85.4 secs Computing kpt #: 112 total cpu time spent up to now is 86.1 secs Computing kpt #: 113 total cpu time spent up to now is 86.9 secs Computing kpt #: 114 total cpu time spent up to now is 87.7 secs Computing kpt #: 115 total cpu time spent up to now is 88.5 secs Computing kpt #: 116 total cpu time spent up to now is 89.3 secs Computing kpt #: 117 total cpu time spent up to now is 90.1 secs Computing kpt #: 118 total cpu time spent up to now is 90.9 secs Computing kpt #: 119 total cpu time spent up to now is 91.7 secs Computing kpt #: 120 total cpu time spent up to now is 92.5 secs Computing kpt #: 121 total cpu time spent up to now is 93.3 secs Computing kpt #: 122 total cpu time spent up to now is 94.1 secs Computing kpt #: 123 total cpu time spent up to now is 94.9 secs Computing kpt #: 124 total cpu time spent up to now is 95.7 secs Computing kpt #: 125 total cpu time spent up to now is 96.4 secs Computing kpt #: 126 total cpu time spent up to now is 97.2 secs Computing kpt #: 127 total cpu time spent up to now is 97.8 secs Computing kpt #: 128 total cpu time spent up to now is 98.6 secs Computing kpt #: 129 total cpu time spent up to now is 99.3 secs Computing kpt #: 130 total cpu time spent up to now is 100.0 secs Computing kpt #: 131 total cpu time spent up to now is 100.6 secs Computing kpt #: 132 total cpu time spent up to now is 101.3 secs Computing kpt #: 133 total cpu time spent up to now is 102.0 secs Computing kpt #: 134 total cpu time spent up to now is 102.6 secs Computing kpt #: 135 total cpu time spent up to now is 103.2 secs Computing kpt #: 136 total cpu time spent up to now is 103.8 secs Computing kpt #: 137 total cpu time spent up to now is 104.3 secs Computing kpt #: 138 total cpu time spent up to now is 104.9 secs Computing kpt #: 139 total cpu time spent up to now is 105.5 secs Computing kpt #: 140 total cpu time spent up to now is 106.1 secs Computing kpt #: 141 total cpu time spent up to now is 106.7 secs Computing kpt #: 142 total cpu time spent up to now is 107.5 secs Computing kpt #: 143 total cpu time spent up to now is 108.2 secs Computing kpt #: 144 total cpu time spent up to now is 108.7 secs Computing kpt #: 145 total cpu time spent up to now is 109.3 secs Computing kpt #: 146 total cpu time spent up to now is 109.9 secs Computing kpt #: 147 total cpu time spent up to now is 110.5 secs Computing kpt #: 148 total cpu time spent up to now is 111.1 secs Computing kpt #: 149 total cpu time spent up to now is 111.7 secs Computing kpt #: 150 total cpu time spent up to now is 112.2 secs Computing kpt #: 151 total cpu time spent up to now is 112.8 secs Computing kpt #: 152 total cpu time spent up to now is 113.4 secs Computing kpt #: 153 total cpu time spent up to now is 114.0 secs Computing kpt #: 154 total cpu time spent up to now is 114.7 secs Computing kpt #: 155 total cpu time spent up to now is 115.3 secs Computing kpt #: 156 total cpu time spent up to now is 115.9 secs Computing kpt #: 157 total cpu time spent up to now is 116.5 secs Computing kpt #: 158 total cpu time spent up to now is 117.1 secs Computing kpt #: 159 total cpu time spent up to now is 117.7 secs Computing kpt #: 160 total cpu time spent up to now is 118.3 secs Computing kpt #: 161 total cpu time spent up to now is 118.9 secs Computing kpt #: 162 total cpu time spent up to now is 119.5 secs Computing kpt #: 163 total cpu time spent up to now is 120.2 secs Computing kpt #: 164 total cpu time spent up to now is 120.8 secs Computing kpt #: 165 total cpu time spent up to now is 121.5 secs Computing kpt #: 166 total cpu time spent up to now is 122.2 secs Computing kpt #: 167 total cpu time spent up to now is 122.7 secs Computing kpt #: 168 total cpu time spent up to now is 123.3 secs Computing kpt #: 169 total cpu time spent up to now is 123.9 secs Computing kpt #: 170 total cpu time spent up to now is 124.5 secs Computing kpt #: 171 total cpu time spent up to now is 125.1 secs Computing kpt #: 172 total cpu time spent up to now is 125.7 secs Computing kpt #: 173 total cpu time spent up to now is 126.3 secs Computing kpt #: 174 total cpu time spent up to now is 126.9 secs Computing kpt #: 175 total cpu time spent up to now is 127.5 secs Computing kpt #: 176 total cpu time spent up to now is 128.1 secs Computing kpt #: 177 total cpu time spent up to now is 128.7 secs Computing kpt #: 178 total cpu time spent up to now is 129.3 secs Computing kpt #: 179 total cpu time spent up to now is 129.9 secs Computing kpt #: 180 total cpu time spent up to now is 130.5 secs Computing kpt #: 181 total cpu time spent up to now is 131.1 secs Computing kpt #: 182 total cpu time spent up to now is 131.7 secs Computing kpt #: 183 total cpu time spent up to now is 132.3 secs Computing kpt #: 184 total cpu time spent up to now is 132.9 secs Computing kpt #: 185 total cpu time spent up to now is 133.5 secs Computing kpt #: 186 total cpu time spent up to now is 134.1 secs Computing kpt #: 187 total cpu time spent up to now is 134.7 secs Computing kpt #: 188 total cpu time spent up to now is 135.3 secs Computing kpt #: 189 total cpu time spent up to now is 135.9 secs Computing kpt #: 190 total cpu time spent up to now is 136.5 secs Computing kpt #: 191 total cpu time spent up to now is 137.1 secs Computing kpt #: 192 total cpu time spent up to now is 137.6 secs Computing kpt #: 193 total cpu time spent up to now is 138.2 secs Computing kpt #: 194 total cpu time spent up to now is 138.9 secs Computing kpt #: 195 total cpu time spent up to now is 139.5 secs Computing kpt #: 196 total cpu time spent up to now is 140.0 secs Computing kpt #: 197 total cpu time spent up to now is 140.7 secs Computing kpt #: 198 total cpu time spent up to now is 141.3 secs Computing kpt #: 199 total cpu time spent up to now is 141.9 secs Computing kpt #: 200 total cpu time spent up to now is 142.5 secs Computing kpt #: 201 total cpu time spent up to now is 143.1 secs Computing kpt #: 202 total cpu time spent up to now is 143.7 secs Computing kpt #: 203 total cpu time spent up to now is 144.3 secs Computing kpt #: 204 total cpu time spent up to now is 145.0 secs Computing kpt #: 205 total cpu time spent up to now is 145.6 secs Computing kpt #: 206 total cpu time spent up to now is 146.3 secs Computing kpt #: 207 total cpu time spent up to now is 147.0 secs Computing kpt #: 208 total cpu time spent up to now is 147.7 secs Computing kpt #: 209 total cpu time spent up to now is 148.5 secs Computing kpt #: 210 total cpu time spent up to now is 149.3 secs Computing kpt #: 211 total cpu time spent up to now is 150.1 secs Computing kpt #: 212 total cpu time spent up to now is 150.9 secs Computing kpt #: 213 total cpu time spent up to now is 151.7 secs Computing kpt #: 214 total cpu time spent up to now is 152.5 secs Computing kpt #: 215 total cpu time spent up to now is 153.3 secs Computing kpt #: 216 total cpu time spent up to now is 154.1 secs Computing kpt #: 217 total cpu time spent up to now is 154.9 secs Computing kpt #: 218 total cpu time spent up to now is 155.7 secs Computing kpt #: 219 total cpu time spent up to now is 156.5 secs Computing kpt #: 220 total cpu time spent up to now is 157.3 secs Computing kpt #: 221 total cpu time spent up to now is 158.1 secs Computing kpt #: 222 total cpu time spent up to now is 158.9 secs Computing kpt #: 223 total cpu time spent up to now is 159.7 secs Computing kpt #: 224 total cpu time spent up to now is 160.5 secs Computing kpt #: 225 total cpu time spent up to now is 161.3 secs Computing kpt #: 226 total cpu time spent up to now is 162.1 secs Computing kpt #: 227 total cpu time spent up to now is 162.9 secs Computing kpt #: 228 total cpu time spent up to now is 163.7 secs Computing kpt #: 229 total cpu time spent up to now is 164.5 secs Computing kpt #: 230 total cpu time spent up to now is 165.3 secs Computing kpt #: 231 total cpu time spent up to now is 166.1 secs Computing kpt #: 232 total cpu time spent up to now is 166.9 secs Computing kpt #: 233 total cpu time spent up to now is 167.7 secs Computing kpt #: 234 total cpu time spent up to now is 168.6 secs Computing kpt #: 235 total cpu time spent up to now is 169.4 secs Computing kpt #: 236 total cpu time spent up to now is 170.2 secs Computing kpt #: 237 total cpu time spent up to now is 170.9 secs Computing kpt #: 238 total cpu time spent up to now is 171.8 secs Computing kpt #: 239 total cpu time spent up to now is 172.5 secs Computing kpt #: 240 total cpu time spent up to now is 173.3 secs Computing kpt #: 241 total cpu time spent up to now is 174.1 secs Computing kpt #: 242 total cpu time spent up to now is 174.9 secs Computing kpt #: 243 total cpu time spent up to now is 175.7 secs Computing kpt #: 244 total cpu time spent up to now is 176.5 secs Computing kpt #: 245 total cpu time spent up to now is 177.4 secs Computing kpt #: 246 total cpu time spent up to now is 178.1 secs Computing kpt #: 247 total cpu time spent up to now is 178.9 secs Computing kpt #: 248 total cpu time spent up to now is 179.7 secs Computing kpt #: 249 total cpu time spent up to now is 180.5 secs Computing kpt #: 250 total cpu time spent up to now is 181.2 secs Computing kpt #: 251 total cpu time spent up to now is 182.1 secs Computing kpt #: 252 total cpu time spent up to now is 182.9 secs Computing kpt #: 253 total cpu time spent up to now is 183.7 secs Computing kpt #: 254 total cpu time spent up to now is 184.5 secs Computing kpt #: 255 total cpu time spent up to now is 185.3 secs Computing kpt #: 256 total cpu time spent up to now is 186.1 secs Computing kpt #: 257 total cpu time spent up to now is 186.9 secs Computing kpt #: 258 total cpu time spent up to now is 187.8 secs Computing kpt #: 259 total cpu time spent up to now is 188.6 secs Computing kpt #: 260 total cpu time spent up to now is 189.3 secs Computing kpt #: 261 total cpu time spent up to now is 190.1 secs Computing kpt #: 262 total cpu time spent up to now is 191.0 secs Computing kpt #: 263 total cpu time spent up to now is 191.8 secs Computing kpt #: 264 total cpu time spent up to now is 192.6 secs Computing kpt #: 265 total cpu time spent up to now is 193.2 secs Computing kpt #: 266 total cpu time spent up to now is 194.1 secs Computing kpt #: 267 total cpu time spent up to now is 194.8 secs Computing kpt #: 268 total cpu time spent up to now is 195.5 secs Computing kpt #: 269 total cpu time spent up to now is 196.3 secs Computing kpt #: 270 total cpu time spent up to now is 197.1 secs Computing kpt #: 271 total cpu time spent up to now is 197.8 secs Computing kpt #: 272 total cpu time spent up to now is 198.4 secs Computing kpt #: 273 total cpu time spent up to now is 199.0 secs Computing kpt #: 274 total cpu time spent up to now is 199.6 secs Computing kpt #: 275 total cpu time spent up to now is 200.2 secs Computing kpt #: 276 total cpu time spent up to now is 200.8 secs Computing kpt #: 277 total cpu time spent up to now is 201.4 secs Computing kpt #: 278 total cpu time spent up to now is 202.0 secs Computing kpt #: 279 total cpu time spent up to now is 202.6 secs Computing kpt #: 280 total cpu time spent up to now is 203.2 secs Computing kpt #: 281 total cpu time spent up to now is 203.8 secs Computing kpt #: 282 total cpu time spent up to now is 204.4 secs Computing kpt #: 283 total cpu time spent up to now is 204.9 secs Computing kpt #: 284 total cpu time spent up to now is 205.5 secs Computing kpt #: 285 total cpu time spent up to now is 206.1 secs Computing kpt #: 286 total cpu time spent up to now is 206.8 secs Computing kpt #: 287 total cpu time spent up to now is 207.4 secs Computing kpt #: 288 total cpu time spent up to now is 208.0 secs Computing kpt #: 289 total cpu time spent up to now is 208.6 secs Computing kpt #: 290 total cpu time spent up to now is 209.2 secs Computing kpt #: 291 total cpu time spent up to now is 209.8 secs Computing kpt #: 292 total cpu time spent up to now is 210.4 secs Computing kpt #: 293 total cpu time spent up to now is 211.1 secs Computing kpt #: 294 total cpu time spent up to now is 211.7 secs Computing kpt #: 295 total cpu time spent up to now is 212.5 secs Computing kpt #: 296 total cpu time spent up to now is 213.2 secs Computing kpt #: 297 total cpu time spent up to now is 213.9 secs Computing kpt #: 298 total cpu time spent up to now is 214.7 secs Computing kpt #: 299 total cpu time spent up to now is 215.4 secs Computing kpt #: 300 total cpu time spent up to now is 216.2 secs Computing kpt #: 301 total cpu time spent up to now is 216.9 secs Computing kpt #: 302 total cpu time spent up to now is 217.7 secs Computing kpt #: 303 total cpu time spent up to now is 218.5 secs Computing kpt #: 304 total cpu time spent up to now is 219.3 secs Computing kpt #: 305 total cpu time spent up to now is 220.1 secs Computing kpt #: 306 total cpu time spent up to now is 220.9 secs Computing kpt #: 307 total cpu time spent up to now is 221.7 secs Computing kpt #: 308 total cpu time spent up to now is 222.5 secs Computing kpt #: 309 total cpu time spent up to now is 223.3 secs Computing kpt #: 310 total cpu time spent up to now is 224.1 secs Computing kpt #: 311 total cpu time spent up to now is 224.9 secs Computing kpt #: 312 total cpu time spent up to now is 225.7 secs Computing kpt #: 313 total cpu time spent up to now is 226.5 secs Computing kpt #: 314 total cpu time spent up to now is 227.3 secs Computing kpt #: 315 total cpu time spent up to now is 228.3 secs Computing kpt #: 316 total cpu time spent up to now is 229.3 secs Computing kpt #: 317 total cpu time spent up to now is 230.1 secs Computing kpt #: 318 total cpu time spent up to now is 230.9 secs Computing kpt #: 319 total cpu time spent up to now is 231.7 secs Computing kpt #: 320 total cpu time spent up to now is 232.6 secs Computing kpt #: 321 total cpu time spent up to now is 233.4 secs Computing kpt #: 322 total cpu time spent up to now is 234.2 secs Computing kpt #: 323 total cpu time spent up to now is 234.9 secs Computing kpt #: 324 total cpu time spent up to now is 235.7 secs Computing kpt #: 325 total cpu time spent up to now is 236.5 secs Computing kpt #: 326 total cpu time spent up to now is 237.3 secs Computing kpt #: 327 total cpu time spent up to now is 238.1 secs Computing kpt #: 328 total cpu time spent up to now is 238.9 secs Computing kpt #: 329 total cpu time spent up to now is 239.7 secs Computing kpt #: 330 total cpu time spent up to now is 240.3 secs Computing kpt #: 331 total cpu time spent up to now is 241.0 secs Computing kpt #: 332 total cpu time spent up to now is 241.7 secs Computing kpt #: 333 total cpu time spent up to now is 242.5 secs ethr = 2.94E-08, avg # of iterations = 27.2 total cpu time spent up to now is 242.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5065 PWs) bands (ev): -47.0223 -47.0223 -23.7297 -23.7297 -23.0764 -23.0764 -23.0764 -23.0764 -11.5002 -11.5002 -11.5002 -11.5002 -10.4798 -10.4798 -10.4605 -10.4605 -10.4605 -10.4605 1.1855 1.1855 8.3464 8.3464 8.5260 8.5260 8.5260 8.5260 8.8724 8.8724 8.8724 8.8724 9.3686 9.3686 9.3761 9.3761 9.3761 9.3761 11.5322 11.5322 11.5322 11.5322 12.7584 12.7584 k = 0.0100-0.0058 0.0082 ( 5065 PWs) bands (ev): -47.0223 -47.0223 -23.7297 -23.7297 -23.0764 -23.0764 -23.0764 -23.0764 -11.5003 -11.5003 -11.5001 -11.5001 -10.4798 -10.4798 -10.4606 -10.4606 -10.4604 -10.4604 1.1868 1.1868 8.3443 8.3443 8.5204 8.5204 8.5271 8.5271 8.8708 8.8708 8.8790 8.8790 9.3677 9.3677 9.3745 9.3745 9.3767 9.3767 11.5312 11.5312 11.5321 11.5321 12.7618 12.7618 k = 0.0200-0.0115 0.0163 ( 5069 PWs) bands (ev): -47.0223 -47.0223 -23.7297 -23.7297 -23.0764 -23.0764 -23.0764 -23.0764 -11.5004 -11.5004 -11.5001 -11.5001 -10.4798 -10.4798 -10.4607 -10.4607 -10.4603 -10.4603 1.1909 1.1909 8.3373 8.3373 8.5073 8.5073 8.5284 8.5284 8.8715 8.8715 8.8920 8.8920 9.3648 9.3648 9.3721 9.3721 9.3764 9.3764 11.5288 11.5288 11.5310 11.5310 12.7721 12.7721 k = 0.0300-0.0173 0.0245 ( 5093 PWs) bands (ev): -47.0223 -47.0223 -23.7297 -23.7297 -23.0764 -23.0764 -23.0764 -23.0764 -11.5005 -11.5005 -11.5000 -11.5000 -10.4798 -10.4798 -10.4608 -10.4608 -10.4602 -10.4602 1.1978 1.1978 8.3236 8.3236 8.4903 8.4903 8.5305 8.5305 8.8735 8.8735 8.9105 8.9105 9.3594 9.3594 9.3693 9.3693 9.3752 9.3752 11.5249 11.5249 11.5292 11.5292 12.7888 12.7888 k = 0.0400-0.0231 0.0327 ( 5097 PWs) bands (ev): -47.0223 -47.0223 -23.7297 -23.7297 -23.0764 -23.0764 -23.0764 -23.0764 -11.5006 -11.5006 -11.4999 -11.4999 -10.4798 -10.4798 -10.4608 -10.4608 -10.4601 -10.4601 1.2073 1.2073 8.3009 8.3009 8.4740 8.4740 8.5334 8.5334 8.8764 8.8764 8.9325 8.9325 9.3516 9.3516 9.3663 9.3663 9.3733 9.3733 11.5194 11.5194 11.5266 11.5266 12.8117 12.8117 k = 0.0500-0.0289 0.0408 ( 5101 PWs) bands (ev): -47.0223 -47.0223 -23.7298 -23.7298 -23.0765 -23.0765 -23.0764 -23.0764 -11.5006 -11.5006 -11.4998 -11.4998 -10.4798 -10.4798 -10.4609 -10.4609 -10.4600 -10.4600 1.2196 1.2196 8.2678 8.2678 8.4619 8.4619 8.5372 8.5372 8.8802 8.8802 8.9562 8.9562 9.3416 9.3416 9.3628 9.3628 9.3707 9.3707 11.5121 11.5121 11.5232 11.5232 12.8401 12.8401 k = 0.0600-0.0346 0.0490 ( 5101 PWs) bands (ev): -47.0223 -47.0223 -23.7298 -23.7298 -23.0765 -23.0765 -23.0764 -23.0764 -11.5007 -11.5007 -11.4998 -11.4998 -10.4798 -10.4798 -10.4610 -10.4610 -10.4599 -10.4599 1.2346 1.2346 8.2248 8.2248 8.4549 8.4549 8.5417 8.5417 8.8848 8.8848 8.9804 8.9804 9.3299 9.3299 9.3588 9.3588 9.3676 9.3676 11.5030 11.5030 11.5190 11.5190 12.8732 12.8732 k = 0.0700-0.0404 0.0572 ( 5101 PWs) bands (ev): -47.0223 -47.0223 -23.7298 -23.7298 -23.0766 -23.0766 -23.0764 -23.0764 -11.5008 -11.5008 -11.4997 -11.4997 -10.4798 -10.4798 -10.4611 -10.4611 -10.4598 -10.4598 1.2522 1.2522 8.1739 8.1739 8.4522 8.4522 8.5471 8.5471 8.8903 8.8903 9.0042 9.0042 9.3167 9.3167 9.3542 9.3542 9.3639 9.3639 11.4919 11.4919 11.5142 11.5142 12.9103 12.9103 k = 0.0800-0.0462 0.0653 ( 5101 PWs) bands (ev): -47.0223 -47.0223 -23.7298 -23.7298 -23.0766 -23.0766 -23.0764 -23.0764 -11.5009 -11.5009 -11.4996 -11.4996 -10.4799 -10.4799 -10.4611 -10.4611 -10.4597 -10.4597 1.2725 1.2725 8.1171 8.1171 8.4526 8.4526 8.5534 8.5534 8.8965 8.8965 9.0271 9.0271 9.3023 9.3023 9.3492 9.3492 9.3596 9.3596 11.4788 11.4788 11.5086 11.5086 12.9504 12.9504 k = 0.0900-0.0520 0.0735 ( 5105 PWs) bands (ev): -47.0223 -47.0223 -23.7299 -23.7299 -23.0767 -23.0767 -23.0764 -23.0764 -11.5010 -11.5010 -11.4995 -11.4995 -10.4799 -10.4799 -10.4612 -10.4612 -10.4596 -10.4596 1.2955 1.2955 8.0559 8.0559 8.4553 8.4553 8.5605 8.5605 8.9036 8.9036 9.0487 9.0487 9.2872 9.2872 9.3437 9.3437 9.3549 9.3549 11.4636 11.4636 11.5023 11.5023 12.9925 12.9925 k = 0.1000-0.0577 0.0816 ( 5113 PWs) bands (ev): -47.0223 -47.0223 -23.7299 -23.7299 -23.0768 -23.0768 -23.0765 -23.0765 -11.5011 -11.5011 -11.4995 -11.4995 -10.4799 -10.4799 -10.4612 -10.4612 -10.4595 -10.4595 1.3210 1.3210 7.9914 7.9914 8.4597 8.4597 8.5684 8.5684 8.9113 8.9113 9.0684 9.0684 9.2718 9.2718 9.3378 9.3378 9.3497 9.3497 11.4461 11.4461 11.4953 11.4953 13.0355 13.0355 k = 0.1100-0.0635 0.0898 ( 5125 PWs) bands (ev): -47.0223 -47.0223 -23.7300 -23.7300 -23.0769 -23.0769 -23.0765 -23.0765 -11.5011 -11.5011 -11.4994 -11.4994 -10.4800 -10.4800 -10.4612 -10.4612 -10.4594 -10.4594 1.3490 1.3490 7.9245 7.9245 8.4656 8.4656 8.5772 8.5772 8.9197 8.9197 9.0858 9.0858 9.2566 9.2566 9.3315 9.3315 9.3442 9.3442 11.4264 11.4264 11.4876 11.4876 13.0782 13.0782 k = 0.1200-0.0693 0.0980 ( 5109 PWs) bands (ev): -47.0223 -47.0223 -23.7300 -23.7300 -23.0769 -23.0769 -23.0765 -23.0765 -11.5012 -11.5012 -11.4993 -11.4993 -10.4800 -10.4800 -10.4613 -10.4613 -10.4593 -10.4593 1.3796 1.3796 7.8558 7.8558 8.4727 8.4727 8.5869 8.5869 8.9288 8.9288 9.1000 9.1000 9.2426 9.2426 9.3251 9.3251 9.3384 9.3384 11.4045 11.4045 11.4792 11.4792 13.1196 13.1196 k = 0.1300-0.0751 0.1061 ( 5109 PWs) bands (ev): -47.0222 -47.0222 -23.7301 -23.7301 -23.0770 -23.0770 -23.0765 -23.0765 -11.5013 -11.5013 -11.4993 -11.4993 -10.4800 -10.4800 -10.4613 -10.4613 -10.4592 -10.4592 1.4126 1.4126 7.7859 7.7859 8.4809 8.4809 8.5974 8.5974 8.9384 8.9384 9.1099 9.1099 9.2311 9.2311 9.3184 9.3184 9.3325 9.3325 11.3801 11.3801 11.4701 11.4701 13.1584 13.1584 k = 0.1400-0.0808 0.1143 ( 5117 PWs) bands (ev): -47.0222 -47.0222 -23.7301 -23.7301 -23.0771 -23.0771 -23.0766 -23.0766 -11.5014 -11.5014 -11.4992 -11.4992 -10.4801 -10.4801 -10.4613 -10.4613 -10.4591 -10.4591 1.4481 1.4481 7.7152 7.7152 8.4901 8.4901 8.6088 8.6088 8.9484 8.9484 9.1138 9.1138 9.2234 9.2234 9.3117 9.3117 9.3265 9.3265 11.3533 11.3533 11.4604 11.4604 13.1934 13.1934 k = 0.1500-0.0866 0.1225 ( 5117 PWs) bands (ev): -47.0222 -47.0222 -23.7302 -23.7302 -23.0772 -23.0772 -23.0766 -23.0766 -11.5015 -11.5015 -11.4992 -11.4992 -10.4801 -10.4801 -10.4613 -10.4613 -10.4591 -10.4591 1.4859 1.4859 7.6442 7.6442 8.5002 8.5002 8.6210 8.6210 8.9586 8.9586 9.1113 9.1113 9.2204 9.2204 9.3051 9.3051 9.3208 9.3208 11.3241 11.3241 11.4500 11.4500 13.2232 13.2232 k = 0.1600-0.0924 0.1306 ( 5125 PWs) bands (ev): -47.0222 -47.0222 -23.7302 -23.7302 -23.0774 -23.0774 -23.0766 -23.0766 -11.5016 -11.5016 -11.4991 -11.4991 -10.4802 -10.4802 -10.4613 -10.4613 -10.4590 -10.4590 1.5260 1.5260 7.5732 7.5732 8.5112 8.5112 8.6342 8.6342 8.9686 8.9686 9.1032 9.1032 9.2211 9.2211 9.2986 9.2986 9.3157 9.3157 11.2923 11.2923 11.4391 11.4391 13.2464 13.2464 k = 0.1700-0.0981 0.1388 ( 5125 PWs) bands (ev): -47.0222 -47.0222 -23.7303 -23.7303 -23.0775 -23.0775 -23.0767 -23.0767 -11.5016 -11.5016 -11.4991 -11.4991 -10.4802 -10.4802 -10.4613 -10.4613 -10.4589 -10.4589 1.5683 1.5683 7.5026 7.5026 8.5230 8.5230 8.6482 8.6482 8.9778 8.9778 9.0921 9.0921 9.2231 9.2231 9.2922 9.2922 9.3117 9.3117 11.2579 11.2579 11.4275 11.4275 13.2610 13.2610 k = 0.1800-0.1039 0.1470 ( 5141 PWs) bands (ev): -47.0222 -47.0222 -23.7304 -23.7304 -23.0776 -23.0776 -23.0767 -23.0767 -11.5017 -11.5017 -11.4991 -11.4991 -10.4803 -10.4803 -10.4613 -10.4613 -10.4588 -10.4588 1.6127 1.6127 7.4327 7.4327 8.5356 8.5356 8.6630 8.6630 8.9848 8.9848 9.0809 9.0809 9.2246 9.2246 9.2857 9.2857 9.3096 9.3096 11.2208 11.2208 11.4154 11.4154 13.2650 13.2650 k = 0.1900-0.1097 0.1551 ( 5141 PWs) bands (ev): -47.0222 -47.0222 -23.7304 -23.7304 -23.0777 -23.0777 -23.0767 -23.0767 -11.5018 -11.5018 -11.4990 -11.4990 -10.4804 -10.4804 -10.4613 -10.4613 -10.4588 -10.4588 1.6592 1.6592 7.3638 7.3638 8.5489 8.5489 8.6787 8.6787 8.9875 8.9875 9.0729 9.0729 9.2243 9.2243 9.2791 9.2791 9.3094 9.3094 11.1808 11.1808 11.4027 11.4027 13.2558 13.2558 k = 0.2000-0.1155 0.1633 ( 5149 PWs) bands (ev): -47.0222 -47.0222 -23.7305 -23.7305 -23.0778 -23.0778 -23.0768 -23.0768 -11.5019 -11.5019 -11.4990 -11.4990 -10.4804 -10.4804 -10.4613 -10.4613 -10.4587 -10.4587 1.7077 1.7077 7.2961 7.2961 8.5631 8.5631 8.6953 8.6953 8.9833 8.9833 9.0712 9.0712 9.2219 9.2219 9.2724 9.2724 9.3111 9.3111 11.1380 11.1380 11.3896 11.3896 13.2305 13.2305 k = 0.2100-0.1212 0.1715 ( 5149 PWs) bands (ev): -47.0222 -47.0222 -23.7306 -23.7306 -23.0780 -23.0780 -23.0768 -23.0768 -11.5019 -11.5019 -11.4990 -11.4990 -10.4805 -10.4805 -10.4613 -10.4613 -10.4587 -10.4587 1.7580 1.7580 7.2299 7.2299 8.5779 8.5779 8.7127 8.7127 8.9722 8.9722 9.0761 9.0761 9.2178 9.2178 9.2657 9.2657 9.3139 9.3139 11.0923 11.0923 11.3759 11.3759 13.1854 13.1854 k = 0.2200-0.1270 0.1796 ( 5141 PWs) bands (ev): -47.0221 -47.0221 -23.7306 -23.7306 -23.0781 -23.0781 -23.0768 -23.0768 -11.5020 -11.5020 -11.4990 -11.4990 -10.4806 -10.4806 -10.4612 -10.4612 -10.4586 -10.4586 1.8100 1.8100 7.1653 7.1653 8.5934 8.5934 8.7310 8.7310 8.9564 8.9564 9.0857 9.0857 9.2124 9.2124 9.2590 9.2590 9.3169 9.3169 11.0435 11.0435 11.3618 11.3618 13.1174 13.1174 k = 0.2300-0.1328 0.1878 ( 5141 PWs) bands (ev): -47.0221 -47.0221 -23.7307 -23.7307 -23.0782 -23.0782 -23.0769 -23.0769 -11.5021 -11.5021 -11.4989 -11.4989 -10.4807 -10.4807 -10.4612 -10.4612 -10.4586 -10.4586 1.8637 1.8637 7.1026 7.1026 8.6095 8.6095 8.7500 8.7500 8.9381 8.9381 9.0978 9.0978 9.2061 9.2061 9.2525 9.2525 9.3194 9.3194 10.9918 10.9918 11.3473 11.3473 13.0320 13.0320 k = 0.2400-0.1386 0.1960 ( 5141 PWs) bands (ev): -47.0221 -47.0221 -23.7308 -23.7308 -23.0784 -23.0784 -23.0769 -23.0769 -11.5021 -11.5021 -11.4989 -11.4989 -10.4807 -10.4807 -10.4612 -10.4612 -10.4585 -10.4585 1.9188 1.9188 7.0420 7.0420 8.6263 8.6263 8.7698 8.7698 8.9184 8.9184 9.1113 9.1113 9.1994 9.1994 9.2465 9.2465 9.3208 9.3208 10.9371 10.9371 11.3324 11.3324 12.9396 12.9396 k = 0.2500-0.1443 0.2041 ( 5105 PWs) bands (ev): -47.0221 -47.0221 -23.7309 -23.7309 -23.0785 -23.0785 -23.0769 -23.0769 -11.5022 -11.5022 -11.4989 -11.4989 -10.4808 -10.4808 -10.4612 -10.4612 -10.4585 -10.4585 1.9753 1.9753 6.9837 6.9837 8.6435 8.6435 8.7904 8.7904 8.8981 8.8981 9.1254 9.1254 9.1925 9.1925 9.2410 9.2410 9.3204 9.3204 10.8797 10.8797 11.3172 11.3172 12.8456 12.8456 k = 0.2600-0.1501 0.2123 ( 5129 PWs) bands (ev): -47.0221 -47.0221 -23.7309 -23.7309 -23.0786 -23.0786 -23.0770 -23.0770 -11.5023 -11.5023 -11.4989 -11.4989 -10.4809 -10.4809 -10.4611 -10.4611 -10.4584 -10.4584 2.0329 2.0329 6.9278 6.9278 8.6612 8.6612 8.8116 8.8116 8.8774 8.8774 9.1392 9.1392 9.1860 9.1860 9.2364 9.2364 9.3177 9.3177 10.8198 10.8198 11.3017 11.3017 12.7520 12.7520 k = 0.2700-0.1559 0.2205 ( 5145 PWs) bands (ev): -47.0221 -47.0221 -23.7310 -23.7310 -23.0788 -23.0788 -23.0770 -23.0770 -11.5023 -11.5023 -11.4989 -11.4989 -10.4810 -10.4810 -10.4611 -10.4611 -10.4584 -10.4584 2.0915 2.0915 6.8744 6.8744 8.6792 8.6792 8.8332 8.8332 8.8569 8.8569 9.1514 9.1514 9.1805 9.1805 9.2333 9.2333 9.3123 9.3123 10.7579 10.7579 11.2859 11.2859 12.6595 12.6595 k = 0.2800-0.1617 0.2286 ( 5141 PWs) bands (ev): -47.0221 -47.0221 -23.7311 -23.7311 -23.0789 -23.0789 -23.0770 -23.0770 -11.5024 -11.5024 -11.4989 -11.4989 -10.4811 -10.4811 -10.4611 -10.4611 -10.4584 -10.4584 2.1508 2.1508 6.8238 6.8238 8.6974 8.6974 8.8355 8.8355 8.8565 8.8565 9.1584 9.1584 9.1790 9.1790 9.2323 9.2323 9.3036 9.3036 10.6945 10.6945 11.2700 11.2700 12.5687 12.5687 k = 0.2900-0.1674 0.2368 ( 5149 PWs) bands (ev): -47.0220 -47.0220 -23.7312 -23.7312 -23.0790 -23.0790 -23.0771 -23.0771 -11.5024 -11.5024 -11.4990 -11.4990 -10.4812 -10.4812 -10.4611 -10.4611 -10.4583 -10.4583 2.2108 2.2108 6.7760 6.7760 8.7157 8.7157 8.8156 8.8156 8.8791 8.8791 9.1572 9.1572 9.1833 9.1833 9.2347 9.2347 9.2911 9.2911 10.6305 10.6305 11.2540 11.2540 12.4796 12.4796 k = 0.3000-0.1732 0.2449 ( 5149 PWs) bands (ev): -47.0220 -47.0220 -23.7312 -23.7312 -23.0792 -23.0792 -23.0771 -23.0771 -11.5025 -11.5025 -11.4990 -11.4990 -10.4812 -10.4812 -10.4610 -10.4610 -10.4583 -10.4583 2.2711 2.2711 6.7311 6.7311 8.7335 8.7335 8.7962 8.7962 8.9023 8.9023 9.1524 9.1524 9.1878 9.1878 9.2407 9.2407 9.2750 9.2750 10.5668 10.5668 11.2379 11.2379 12.3926 12.3926 k = 0.3100-0.1790 0.2531 ( 5161 PWs) bands (ev): -47.0220 -47.0220 -23.7313 -23.7313 -23.0793 -23.0793 -23.0771 -23.0771 -11.5025 -11.5025 -11.4990 -11.4990 -10.4813 -10.4813 -10.4610 -10.4610 -10.4583 -10.4583 2.3315 2.3315 6.6894 6.6894 8.7491 8.7491 8.7794 8.7794 8.9258 8.9258 9.1468 9.1468 9.1903 9.1903 9.2422 9.2422 9.2623 9.2623 10.5044 10.5044 11.2218 11.2218 12.3075 12.3075 k = 0.3200-0.1848 0.2613 ( 5161 PWs) bands (ev): -47.0220 -47.0220 -23.7314 -23.7314 -23.0794 -23.0794 -23.0772 -23.0772 -11.5026 -11.5026 -11.4990 -11.4990 -10.4814 -10.4814 -10.4610 -10.4610 -10.4582 -10.4582 2.3918 2.3918 6.6508 6.6508 8.7491 8.7491 8.7783 8.7783 8.9491 8.9491 9.1413 9.1413 9.1914 9.1914 9.2198 9.2198 9.2706 9.2706 10.4445 10.4445 11.2058 11.2058 12.2247 12.2247 k = 0.3300-0.1905 0.2694 ( 5161 PWs) bands (ev): -47.0220 -47.0220 -23.7314 -23.7314 -23.0795 -23.0795 -23.0772 -23.0772 -11.5026 -11.5026 -11.4991 -11.4991 -10.4815 -10.4815 -10.4610 -10.4610 -10.4582 -10.4582 2.4517 2.4517 6.6154 6.6154 8.7334 8.7334 8.7929 8.7929 8.9721 8.9721 9.1359 9.1359 9.1859 9.1859 9.1939 9.1939 9.2847 9.2847 10.3881 10.3881 11.1899 11.1899 12.1441 12.1441 k = 0.3400-0.1963 0.2776 ( 5177 PWs) bands (ev): -47.0220 -47.0220 -23.7315 -23.7315 -23.0796 -23.0796 -23.0772 -23.0772 -11.5026 -11.5026 -11.4991 -11.4991 -10.4816 -10.4816 -10.4610 -10.4610 -10.4582 -10.4582 2.5108 2.5108 6.5833 6.5833 8.7159 8.7159 8.8092 8.8092 8.9942 8.9942 9.1274 9.1274 9.1520 9.1520 9.1945 9.1945 9.3000 9.3000 10.3363 10.3363 11.1743 11.1743 12.0661 12.0661 k = 0.3500-0.2021 0.2858 ( 5177 PWs) bands (ev): -47.0220 -47.0220 -23.7315 -23.7315 -23.0797 -23.0797 -23.0773 -23.0773 -11.5027 -11.5027 -11.4991 -11.4991 -10.4816 -10.4816 -10.4610 -10.4610 -10.4581 -10.4581 2.5689 2.5689 6.5546 6.5546 8.6985 8.6985 8.8250 8.8250 9.0144 9.0144 9.0948 9.0948 9.1371 9.1371 9.1970 9.1970 9.3156 9.3156 10.2896 10.2896 11.1590 11.1590 11.9909 11.9909 k = 0.3600-0.2078 0.2939 ( 5177 PWs) bands (ev): -47.0220 -47.0220 -23.7316 -23.7316 -23.0798 -23.0798 -23.0773 -23.0773 -11.5027 -11.5027 -11.4992 -11.4992 -10.4817 -10.4817 -10.4610 -10.4610 -10.4581 -10.4581 2.6256 2.6256 6.5293 6.5293 8.6815 8.6815 8.8394 8.8394 9.0283 9.0283 9.0495 9.0495 9.1361 9.1361 9.2008 9.2008 9.3312 9.3312 10.2484 10.2484 11.1440 11.1440 11.9187 11.9187 k = 0.3700-0.2136 0.3021 ( 5173 PWs) bands (ev): -47.0220 -47.0220 -23.7317 -23.7317 -23.0799 -23.0799 -23.0773 -23.0773 -11.5027 -11.5027 -11.4992 -11.4992 -10.4818 -10.4818 -10.4610 -10.4610 -10.4581 -10.4581 2.6806 2.6806 6.5073 6.5073 8.6649 8.6649 8.8515 8.8515 8.9887 8.9887 9.0493 9.0493 9.1399 9.1399 9.2062 9.2062 9.3465 9.3465 10.2129 10.2129 11.1295 11.1295 11.8497 11.8497 k = 0.3800-0.2194 0.3103 ( 5181 PWs) bands (ev): -47.0219 -47.0219 -23.7317 -23.7317 -23.0800 -23.0800 -23.0774 -23.0774 -11.5027 -11.5027 -11.4993 -11.4993 -10.4818 -10.4818 -10.4610 -10.4610 -10.4581 -10.4581 2.7335 2.7335 6.4886 6.4886 8.6487 8.6487 8.8572 8.8572 8.9368 8.9368 9.0581 9.0581 9.1480 9.1480 9.2134 9.2134 9.3613 9.3613 10.1826 10.1826 11.1156 11.1156 11.7843 11.7843 k = 0.3900-0.2252 0.3184 ( 5177 PWs) bands (ev): -47.0219 -47.0219 -23.7318 -23.7318 -23.0801 -23.0801 -23.0774 -23.0774 -11.5028 -11.5028 -11.4993 -11.4993 -10.4819 -10.4819 -10.4610 -10.4610 -10.4580 -10.4580 2.7839 2.7839 6.4730 6.4730 8.6325 8.6325 8.8384 8.8384 8.9058 8.9058 9.0630 9.0630 9.1596 9.1596 9.2225 9.2225 9.3754 9.3754 10.1574 10.1574 11.1023 11.1023 11.7226 11.7226 k = 0.4000-0.2309 0.3266 ( 5165 PWs) bands (ev): -47.0219 -47.0219 -23.7318 -23.7318 -23.0802 -23.0802 -23.0774 -23.0774 -11.5028 -11.5028 -11.4993 -11.4993 -10.4819 -10.4819 -10.4611 -10.4611 -10.4580 -10.4580 2.8316 2.8316 6.4606 6.4606 8.6156 8.6156 8.7889 8.7889 8.9044 8.9044 9.0650 9.0650 9.1730 9.1730 9.2336 9.2336 9.3889 9.3889 10.1365 10.1365 11.0898 11.0898 11.6650 11.6650 k = 0.4100-0.2367 0.3348 ( 5173 PWs) bands (ev): -47.0219 -47.0219 -23.7318 -23.7318 -23.0803 -23.0803 -23.0774 -23.0774 -11.5028 -11.5028 -11.4994 -11.4994 -10.4820 -10.4820 -10.4611 -10.4611 -10.4580 -10.4580 2.8761 2.8761 6.4510 6.4510 8.5966 8.5966 8.7344 8.7344 8.9101 8.9101 9.0652 9.0652 9.1866 9.1866 9.2464 9.2464 9.4014 9.4014 10.1194 10.1194 11.0781 11.0781 11.6116 11.6116 k = 0.4200-0.2425 0.3429 ( 5165 PWs) bands (ev): -47.0219 -47.0219 -23.7319 -23.7319 -23.0803 -23.0803 -23.0774 -23.0774 -11.5028 -11.5028 -11.4994 -11.4994 -10.4820 -10.4820 -10.4611 -10.4611 -10.4579 -10.4579 2.9170 2.9170 6.4439 6.4439 8.5726 8.5726 8.6860 8.6860 8.9164 8.9164 9.0644 9.0644 9.1996 9.1996 9.2604 9.2604 9.4129 9.4129 10.1056 10.1056 11.0674 11.0674 11.5629 11.5629 k = 0.4300-0.2483 0.3511 ( 5169 PWs) bands (ev): -47.0219 -47.0219 -23.7319 -23.7319 -23.0804 -23.0804 -23.0775 -23.0775 -11.5028 -11.5028 -11.4995 -11.4995 -10.4821 -10.4821 -10.4611 -10.4611 -10.4579 -10.4579 2.9541 2.9541 6.4392 6.4392 8.5402 8.5402 8.6497 8.6497 8.9220 8.9220 9.0632 9.0632 9.2116 9.2116 9.2749 9.2749 9.4234 9.4234 10.0946 10.0946 11.0576 11.0576 11.5189 11.5189 k = 0.4400-0.2540 0.3593 ( 5169 PWs) bands (ev): -47.0219 -47.0219 -23.7319 -23.7319 -23.0805 -23.0805 -23.0775 -23.0775 -11.5028 -11.5028 -11.4995 -11.4995 -10.4821 -10.4821 -10.4611 -10.4611 -10.4579 -10.4579 2.9869 2.9869 6.4364 6.4364 8.5006 8.5006 8.6261 8.6261 8.9268 8.9268 9.0618 9.0618 9.2224 9.2224 9.2891 9.2891 9.4327 9.4327 10.0859 10.0859 11.0490 11.0490 11.4800 11.4800 k = 0.4500-0.2598 0.3674 ( 5161 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7320 -23.0805 -23.0805 -23.0775 -23.0775 -11.5028 -11.5028 -11.4995 -11.4995 -10.4822 -10.4822 -10.4612 -10.4612 -10.4579 -10.4579 3.0153 3.0153 6.4350 6.4350 8.4597 8.4597 8.6109 8.6109 8.9308 8.9308 9.0604 9.0604 9.2320 9.2320 9.3023 9.3023 9.4407 9.4407 10.0791 10.0791 11.0416 11.0416 11.4463 11.4463 k = 0.4600-0.2656 0.3756 ( 5157 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7320 -23.0805 -23.0805 -23.0775 -23.0775 -11.5028 -11.5028 -11.4995 -11.4995 -10.4822 -10.4822 -10.4612 -10.4612 -10.4578 -10.4578 3.0388 3.0388 6.4347 6.4347 8.4222 8.4222 8.6007 8.6007 8.9338 8.9338 9.0592 9.0592 9.2401 9.2401 9.3139 9.3139 9.4473 9.4473 10.0740 10.0740 11.0354 11.0354 11.4181 11.4181 k = 0.4700-0.2714 0.3838 ( 5157 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7320 -23.0806 -23.0806 -23.0775 -23.0775 -11.5028 -11.5028 -11.4996 -11.4996 -10.4822 -10.4822 -10.4612 -10.4612 -10.4578 -10.4578 3.0574 3.0574 6.4350 6.4350 8.3909 8.3909 8.5936 8.5936 8.9361 8.9361 9.0582 9.0582 9.2466 9.2466 9.3234 9.3234 9.4525 9.4525 10.0702 10.0702 11.0305 11.0305 11.3955 11.3955 k = 0.4800-0.2771 0.3919 ( 5165 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7320 -23.0806 -23.0806 -23.0775 -23.0775 -11.5028 -11.5028 -11.4996 -11.4996 -10.4822 -10.4822 -10.4612 -10.4612 -10.4578 -10.4578 3.0708 3.0708 6.4356 6.4356 8.3675 8.3675 8.5889 8.5889 8.9377 8.9377 9.0575 9.0575 9.2514 9.2514 9.3305 9.3305 9.4563 9.4563 10.0677 10.0677 11.0269 11.0269 11.3791 11.3791 k = 0.4900-0.2829 0.4001 ( 5170 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7320 -23.0806 -23.0806 -23.0775 -23.0775 -11.5028 -11.5028 -11.4996 -11.4996 -10.4822 -10.4822 -10.4612 -10.4612 -10.4578 -10.4578 3.0789 3.0789 6.4360 6.4360 8.3531 8.3531 8.5862 8.5862 8.9386 8.9386 9.0571 9.0571 9.2544 9.2544 9.3348 9.3348 9.4586 9.4586 10.0662 10.0662 11.0248 11.0248 11.3691 11.3691 k = 0.5000-0.2887 0.4082 ( 5138 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7320 -23.0806 -23.0806 -23.0775 -23.0775 -11.5028 -11.5028 -11.4996 -11.4996 -10.4822 -10.4822 -10.4612 -10.4612 -10.4578 -10.4578 3.0816 3.0816 6.4362 6.4362 8.3482 8.3482 8.5853 8.5853 8.9389 8.9389 9.0569 9.0569 9.2554 9.2554 9.3363 9.3363 9.4594 9.4594 10.0657 10.0657 11.0241 11.0241 11.3657 11.3657 k = 0.5000-0.2887 0.4082 ( 5138 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7320 -23.0806 -23.0806 -23.0775 -23.0775 -11.5028 -11.5028 -11.4996 -11.4996 -10.4822 -10.4822 -10.4612 -10.4612 -10.4578 -10.4578 3.0816 3.0816 6.4362 6.4362 8.3482 8.3482 8.5853 8.5853 8.9389 8.9389 9.0569 9.0569 9.2554 9.2554 9.3363 9.3363 9.4594 9.4594 10.0657 10.0657 11.0241 11.0241 11.3657 11.3657 k = 0.5000-0.2771 0.4164 ( 5172 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7320 -23.0806 -23.0806 -23.0775 -23.0775 -11.5029 -11.5028 -11.4997 -11.4994 -10.4822 -10.4822 -10.4614 -10.4610 -10.4579 -10.4577 3.0816 3.0822 6.4373 6.4377 8.3432 8.3447 8.5770 8.5793 8.9374 8.9440 9.0555 9.0597 9.2469 9.2621 9.3282 9.3345 9.4681 9.4727 10.0666 10.0686 11.0219 11.0247 11.3654 11.3659 k = 0.5000-0.2656 0.4246 ( 5170 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7320 -23.0806 -23.0806 -23.0775 -23.0775 -11.5030 -11.5027 -11.4999 -11.4993 -10.4822 -10.4822 -10.4615 -10.4609 -10.4579 -10.4577 3.0821 3.0832 6.4410 6.4418 8.3298 8.3328 8.5556 8.5598 8.9387 8.9507 9.0568 9.0638 9.2379 9.2649 9.3168 9.3274 9.4939 9.5019 10.0717 10.0756 11.0181 11.0236 11.3643 11.3661 k = 0.5000-0.2540 0.4327 ( 5164 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7320 -23.0806 -23.0806 -23.0775 -23.0775 -11.5030 -11.5026 -11.5000 -11.4991 -10.4822 -10.4822 -10.4617 -10.4607 -10.4580 -10.4576 3.0832 3.0848 6.4472 6.4485 8.3084 8.3128 8.5235 8.5294 8.9401 8.9549 9.0632 9.0702 9.2293 9.2608 9.3121 9.3210 9.5288 9.5386 10.0811 10.0866 11.0128 11.0211 11.3622 11.3661 k = 0.5000-0.2425 0.4409 ( 5164 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7320 -23.0806 -23.0806 -23.0776 -23.0775 -11.5031 -11.5025 -11.5002 -11.4990 -10.4822 -10.4822 -10.4619 -10.4606 -10.4581 -10.4575 3.0847 3.0869 6.4560 6.4578 8.2798 8.2854 8.4836 8.4905 8.9395 8.9539 9.0757 9.0793 9.2218 9.2512 9.3156 9.3174 9.5675 9.5778 10.0953 10.1020 11.0062 11.0173 11.3596 11.3659 k = 0.5000-0.2309 0.4491 ( 5168 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7320 -23.0806 -23.0805 -23.0776 -23.0776 -11.5031 -11.5024 -11.5004 -11.4988 -10.4822 -10.4822 -10.4621 -10.4604 -10.4581 -10.4574 3.0867 3.0894 6.4674 6.4696 8.2448 8.2513 8.4379 8.4453 8.9363 8.9484 9.0908 9.0925 9.2160 9.2410 9.3170 9.3235 9.6067 9.6164 10.1148 10.1221 10.9985 11.0124 11.3570 11.3655 k = 0.5000-0.2194 0.4572 ( 5176 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7320 -23.0805 -23.0805 -23.0776 -23.0776 -11.5032 -11.5024 -11.5005 -11.4987 -10.4821 -10.4821 -10.4622 -10.4603 -10.4582 -10.4573 3.0891 3.0923 6.4813 6.4840 8.2045 8.2117 8.3880 8.3954 8.9310 8.9403 9.1036 9.1111 9.2120 9.2323 9.3194 9.3334 9.6443 9.6524 10.1397 10.1472 10.9899 11.0067 11.3544 11.3648 k = 0.5000-0.2078 0.4654 ( 5176 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7320 -23.0805 -23.0805 -23.0776 -23.0776 -11.5032 -11.5023 -11.5007 -11.4985 -10.4821 -10.4821 -10.4624 -10.4602 -10.4583 -10.4573 3.0920 3.0957 6.4977 6.5009 8.1601 8.1677 8.3348 8.3419 8.9246 8.9314 9.1167 9.1292 9.2094 9.2258 9.3244 9.3441 9.6788 9.6844 10.1701 10.1771 10.9807 11.0004 11.3522 11.3641 k = 0.5000-0.1963 0.4736 ( 5180 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7320 -23.0805 -23.0805 -23.0777 -23.0776 -11.5033 -11.5022 -11.5008 -11.4984 -10.4821 -10.4820 -10.4626 -10.4601 -10.4583 -10.4572 3.0952 3.0994 6.5166 6.5203 8.1126 8.1206 8.2792 8.2855 8.9179 8.9225 9.1293 9.1455 9.2084 9.2213 9.3315 9.3550 9.7093 9.7120 10.2056 10.2117 10.9711 10.9939 11.3502 11.3634 k = 0.5000-0.1848 0.4817 ( 5176 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7320 -23.0804 -23.0804 -23.0777 -23.0777 -11.5033 -11.5021 -11.5010 -11.4983 -10.4820 -10.4820 -10.4627 -10.4600 -10.4584 -10.4571 3.0987 3.1034 6.5380 6.5422 8.0633 8.0714 8.2217 8.2270 8.9113 8.9143 9.1407 9.1591 9.2088 9.2188 9.3403 9.3655 9.7349 9.7355 10.2451 10.2500 10.9615 10.9873 11.3487 11.3628 k = 0.5000-0.1732 0.4899 ( 5184 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7320 -23.0804 -23.0804 -23.0778 -23.0777 -11.5033 -11.5020 -11.5011 -11.4982 -10.4820 -10.4820 -10.4629 -10.4599 -10.4585 -10.4570 3.1025 3.1076 6.5618 6.5666 8.0130 8.0210 8.1628 8.1668 8.9052 8.9068 9.1507 9.1698 9.2108 9.2183 9.3503 9.3752 9.7538 9.7576 10.2875 10.2912 10.9520 10.9810 11.3476 11.3625 k = 0.5000-0.1617 0.4981 ( 5176 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7320 -23.0804 -23.0803 -23.0778 -23.0777 -11.5034 -11.5019 -11.5012 -11.4980 -10.4819 -10.4819 -10.4630 -10.4598 -10.4585 -10.4569 3.1064 3.1121 6.5880 6.5934 7.9625 7.9702 8.1031 8.1056 8.8996 8.9001 9.1588 9.1775 9.2143 9.2199 9.3608 9.3839 9.7691 9.7761 10.3315 10.3341 10.9429 10.9751 11.3468 11.3624 k = 0.5000-0.1501 0.5062 ( 5182 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7320 -23.0803 -23.0803 -23.0779 -23.0778 -11.5034 -11.5019 -11.5013 -11.4979 -10.4819 -10.4819 -10.4632 -10.4597 -10.4586 -10.4569 3.1105 3.1166 6.6165 6.6226 7.9125 7.9196 8.0430 8.0436 8.8942 8.8946 9.1650 9.1827 9.2191 9.2235 9.3713 9.3912 9.7814 9.7914 10.3759 10.3776 10.9342 10.9697 11.3464 11.3624 k = 0.5000-0.1386 0.5144 ( 5182 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7320 -23.0803 -23.0803 -23.0779 -23.0778 -11.5034 -11.5018 -11.5015 -11.4978 -10.4818 -10.4818 -10.4633 -10.4596 -10.4586 -10.4568 3.1147 3.1212 6.6474 6.6542 7.8633 7.8694 7.9816 7.9833 8.8890 8.8901 9.1694 9.1861 9.2247 9.2291 9.3813 9.3970 9.7915 9.8041 10.4197 10.4205 10.9263 10.9649 11.3463 11.3627 k = 0.5000-0.1270 0.5226 ( 5180 PWs) bands (ev): -47.0219 -47.0219 -23.7321 -23.7320 -23.0802 -23.0802 -23.0780 -23.0779 -11.5034 -11.5017 -11.5016 -11.4977 -10.4818 -10.4818 -10.4635 -10.4596 -10.4587 -10.4567 3.1189 3.1258 6.6804 6.6881 7.8151 7.8197 7.9202 7.9249 8.8844 8.8861 9.1723 9.1884 9.2306 9.2362 9.3906 9.4012 9.7997 9.8146 10.4618 10.4620 10.9190 10.9608 11.3464 11.3631 k = 0.5000-0.1155 0.5307 ( 5188 PWs) bands (ev): -47.0219 -47.0219 -23.7321 -23.7320 -23.0802 -23.0802 -23.0780 -23.0779 -11.5035 -11.5017 -11.5016 -11.4976 -10.4817 -10.4817 -10.4636 -10.4595 -10.4587 -10.4566 3.1230 3.1302 6.7157 6.7242 7.7675 7.7700 7.8605 7.8688 8.8804 8.8827 9.1742 9.1900 9.2364 9.2445 9.3989 9.4038 9.8064 9.8233 10.5014 10.5016 10.9126 10.9573 11.3467 11.3637 k = 0.5000-0.1039 0.5389 ( 5168 PWs) bands (ev): -47.0219 -47.0219 -23.7321 -23.7320 -23.0801 -23.0801 -23.0781 -23.0780 -11.5035 -11.5018 -11.5016 -11.4976 -10.4817 -10.4817 -10.4637 -10.4595 -10.4588 -10.4566 3.1269 3.1346 6.7530 6.7625 7.7194 7.7194 7.8043 7.8167 8.8770 8.8796 9.1754 9.1913 9.2420 9.2534 9.4048 9.4060 9.8119 9.8306 10.5381 10.5386 10.9070 10.9544 11.3471 11.3643 k = 0.5000-0.0924 0.5471 ( 5168 PWs) bands (ev): -47.0219 -47.0219 -23.7321 -23.7320 -23.0801 -23.0801 -23.0781 -23.0780 -11.5035 -11.5019 -11.5015 -11.4975 -10.4816 -10.4816 -10.4638 -10.4594 -10.4588 -10.4565 3.1307 3.1386 6.7922 6.8029 7.6672 7.6693 7.7537 7.7699 8.8739 8.8770 9.1762 9.1922 9.2474 9.2627 9.4043 9.4120 9.8164 9.8366 10.5717 10.5722 10.9023 10.9522 11.3477 11.3650 k = 0.5000-0.0808 0.5552 ( 5180 PWs) bands (ev): -47.0219 -47.0219 -23.7321 -23.7320 -23.0800 -23.0800 -23.0782 -23.0781 -11.5035 -11.5019 -11.5014 -11.4974 -10.4816 -10.4816 -10.4639 -10.4594 -10.4588 -10.4565 3.1342 3.1424 6.8332 6.8454 7.6131 7.6159 7.7105 7.7293 8.8714 8.8747 9.1767 9.1930 9.2523 9.2723 9.4025 9.4169 9.8202 9.8416 10.6017 10.6021 10.8983 10.9504 11.3483 11.3657 k = 0.5000-0.0693 0.5634 ( 5176 PWs) bands (ev): -47.0219 -47.0219 -23.7321 -23.7320 -23.0800 -23.0800 -23.0782 -23.0781 -11.5035 -11.5020 -11.5014 -11.4974 -10.4816 -10.4816 -10.4640 -10.4594 -10.4589 -10.4564 3.1374 3.1458 6.8758 6.8897 7.5575 7.5595 7.6749 7.6950 8.8692 8.8728 9.1770 9.1937 9.2569 9.2819 9.3994 9.4208 9.8232 9.8458 10.6281 10.6283 10.8951 10.9490 11.3488 11.3664 k = 0.5000-0.0577 0.5715 ( 5168 PWs) bands (ev): -47.0219 -47.0219 -23.7321 -23.7320 -23.0799 -23.0799 -23.0782 -23.0781 -11.5035 -11.5021 -11.5014 -11.4973 -10.4815 -10.4815 -10.4640 -10.4593 -10.4589 -10.4564 3.1401 3.1488 6.9196 6.9358 7.5015 7.5017 7.6459 7.6665 8.8673 8.8712 9.1772 9.1942 9.2609 9.2913 9.3954 9.4238 9.8257 9.8491 10.6504 10.6505 10.8926 10.9480 11.3494 11.3670 k = 0.5000-0.0462 0.5797 ( 5172 PWs) bands (ev): -47.0219 -47.0219 -23.7321 -23.7320 -23.0799 -23.0799 -23.0783 -23.0782 -11.5035 -11.5021 -11.5013 -11.4973 -10.4815 -10.4815 -10.4641 -10.4593 -10.4589 -10.4563 3.1425 3.1514 6.9641 6.9833 7.4433 7.4466 7.6228 7.6436 8.8659 8.8699 9.1774 9.1947 9.2643 9.3003 9.3907 9.4260 9.8277 9.8517 10.6685 10.6690 10.8907 10.9473 11.3499 11.3676 k = 0.5000-0.0346 0.5879 ( 5172 PWs) bands (ev): -47.0219 -47.0219 -23.7321 -23.7320 -23.0799 -23.0799 -23.0783 -23.0782 -11.5035 -11.5021 -11.5013 -11.4973 -10.4815 -10.4815 -10.4641 -10.4593 -10.4589 -10.4563 3.1444 3.1534 7.0083 7.0318 7.3860 7.3939 7.6051 7.6259 8.8647 8.8689 9.1774 9.1950 9.2671 9.3087 9.3856 9.4275 9.8291 9.8537 10.6825 10.6834 10.8894 10.9468 11.3503 11.3680 k = 0.5000-0.0231 0.5960 ( 5170 PWs) bands (ev): -47.0219 -47.0219 -23.7321 -23.7320 -23.0799 -23.0798 -23.0783 -23.0782 -11.5035 -11.5022 -11.5013 -11.4972 -10.4815 -10.4815 -10.4642 -10.4593 -10.4589 -10.4563 3.1457 3.1549 7.0498 7.0801 7.3312 7.3461 7.5926 7.6133 8.8639 8.8681 9.1775 9.1952 9.2691 9.3157 9.3808 9.4285 9.8302 9.8551 10.6925 10.6937 10.8885 10.9465 11.3506 11.3684 k = 0.5000-0.0115 0.6042 ( 5180 PWs) bands (ev): -47.0219 -47.0219 -23.7321 -23.7320 -23.0798 -23.0798 -23.0784 -23.0782 -11.5035 -11.5022 -11.5013 -11.4972 -10.4815 -10.4814 -10.4642 -10.4593 -10.4589 -10.4563 3.1465 3.1557 7.0831 7.1242 7.2833 7.3089 7.5851 7.6058 8.8635 8.8677 9.1775 9.1954 9.2704 9.3207 9.3772 9.4291 9.8308 9.8559 10.6985 10.6999 10.8880 10.9463 11.3508 11.3686 k = 0.5000-0.0000 0.6124 ( 5180 PWs) bands (ev): -47.0219 -47.0219 -23.7321 -23.7320 -23.0798 -23.0798 -23.0784 -23.0782 -11.5035 -11.5022 -11.5013 -11.4972 -10.4815 -10.4814 -10.4642 -10.4593 -10.4590 -10.4563 3.1468 3.1560 7.0971 7.1468 7.2593 7.2937 7.5826 7.6033 8.8633 8.8676 9.1776 9.1954 9.2708 9.3226 9.3758 9.4293 9.8310 9.8562 10.7005 10.7020 10.8879 10.9463 11.3509 11.3686 k = 0.5000-0.0000 0.6124 ( 5180 PWs) bands (ev): -47.0219 -47.0219 -23.7321 -23.7320 -23.0798 -23.0798 -23.0784 -23.0782 -11.5035 -11.5022 -11.5013 -11.4972 -10.4815 -10.4814 -10.4642 -10.4593 -10.4590 -10.4563 3.1468 3.1560 7.0971 7.1468 7.2593 7.2937 7.5826 7.6033 8.8633 8.8676 9.1776 9.1954 9.2708 9.3226 9.3758 9.4293 9.8310 9.8562 10.7005 10.7020 10.8879 10.9463 11.3509 11.3686 k = 0.4931 0.0120 0.6124 ( 5180 PWs) bands (ev): -47.0219 -47.0219 -23.7321 -23.7320 -23.0798 -23.0798 -23.0784 -23.0782 -11.5035 -11.5022 -11.5012 -11.4972 -10.4815 -10.4814 -10.4642 -10.4593 -10.4589 -10.4563 3.1463 3.1555 7.0871 7.1348 7.2645 7.2970 7.5910 7.6128 8.8623 8.8678 9.1772 9.1952 9.2703 9.3214 9.3778 9.4311 9.8315 9.8565 10.6990 10.7021 10.8878 10.9461 11.3476 11.3651 k = 0.4861 0.0241 0.6124 ( 5163 PWs) bands (ev): -47.0219 -47.0219 -23.7321 -23.7320 -23.0798 -23.0798 -23.0783 -23.0782 -11.5035 -11.5022 -11.5012 -11.4972 -10.4815 -10.4814 -10.4642 -10.4594 -10.4589 -10.4563 3.1447 3.1538 7.0637 7.1100 7.2682 7.2996 7.6175 7.6414 8.8596 8.8677 9.1762 9.1946 9.2687 9.3186 9.3832 9.4368 9.8333 9.8578 10.6955 10.7015 10.8874 10.9453 11.3386 11.3555 k = 0.4792 0.0361 0.6124 ( 5172 PWs) bands (ev): -47.0219 -47.0219 -23.7321 -23.7320 -23.0799 -23.0798 -23.0783 -23.0782 -11.5035 -11.5022 -11.5012 -11.4973 -10.4815 -10.4814 -10.4642 -10.4594 -10.4588 -10.4563 3.1423 3.1514 7.0343 7.0816 7.2632 7.2957 7.6605 7.6858 8.8555 8.8665 9.1747 9.1937 9.2660 9.3150 9.3913 9.4461 9.8367 9.8603 10.6902 10.6996 10.8867 10.9442 11.3258 11.3423 k = 0.4722 0.0481 0.6124 ( 5172 PWs) bands (ev): -47.0219 -47.0219 -23.7321 -23.7320 -23.0799 -23.0799 -23.0783 -23.0782 -11.5035 -11.5022 -11.5011 -11.4973 -10.4815 -10.4814 -10.4641 -10.4595 -10.4588 -10.4563 3.1392 3.1482 7.0030 7.0525 7.2511 7.2861 7.7150 7.7409 8.8501 8.8637 9.1730 9.1924 9.2625 9.3112 9.4018 9.4586 9.8423 9.8644 10.6832 10.6960 10.8858 10.9426 11.3111 11.3274 k = 0.4653 0.0601 0.6124 ( 5162 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7320 -23.0799 -23.0799 -23.0783 -23.0782 -11.5035 -11.5023 -11.5011 -11.4973 -10.4815 -10.4815 -10.4641 -10.4596 -10.4587 -10.4563 3.1356 3.1446 6.9718 7.0239 7.2350 7.2729 7.7763 7.8023 8.8431 8.8590 9.1714 9.1909 9.2584 9.3073 9.4139 9.4734 9.8505 9.8705 10.6742 10.6904 10.8849 10.9406 11.2955 11.3120 k = 0.4583 0.0722 0.6124 ( 5166 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7320 -23.0799 -23.0799 -23.0782 -23.0781 -11.5035 -11.5023 -11.5010 -11.4974 -10.4815 -10.4815 -10.4641 -10.4596 -10.4586 -10.4563 3.1317 3.1406 6.9414 6.9964 7.2171 7.2581 7.8410 7.8666 8.8346 8.8523 9.1700 9.1895 9.2541 9.3033 9.4273 9.4897 9.8618 9.8792 10.6630 10.6824 10.8839 10.9383 11.2800 11.2968 k = 0.4514 0.0842 0.6124 ( 5168 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7320 -23.0799 -23.0799 -23.0782 -23.0781 -11.5035 -11.5024 -11.5009 -11.4974 -10.4815 -10.4815 -10.4640 -10.4597 -10.4586 -10.4564 3.1276 3.1364 6.9127 6.9704 7.1989 7.2428 7.9068 7.9316 8.8246 8.8435 9.1690 9.1884 9.2497 9.2992 9.4411 9.5067 9.8769 9.8911 10.6495 10.6716 10.8832 10.9358 11.2648 11.2823 k = 0.4444 0.0962 0.6124 ( 5166 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7319 -23.0799 -23.0799 -23.0782 -23.0781 -11.5035 -11.5024 -11.5008 -11.4975 -10.4815 -10.4815 -10.4640 -10.4598 -10.4585 -10.4564 3.1235 3.1321 6.8858 6.9460 7.1812 7.2279 7.9722 7.9958 8.8131 8.8326 9.1685 9.1876 9.2453 9.2951 9.4549 9.5235 9.8962 9.9069 10.6333 10.6577 10.8826 10.9332 11.2505 11.2689 k = 0.4375 0.1083 0.6124 ( 5166 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7319 -23.0800 -23.0800 -23.0782 -23.0781 -11.5034 -11.5025 -11.5007 -11.4975 -10.4815 -10.4815 -10.4639 -10.4598 -10.4584 -10.4564 3.1193 3.1279 6.8610 6.9234 7.1645 7.2138 8.0359 8.0582 8.8003 8.8197 9.1686 9.1874 9.2409 9.2908 9.4679 9.5394 9.9201 9.9269 10.6144 10.6405 10.8824 10.9304 11.2372 11.2567 k = 0.4306 0.1203 0.6124 ( 5172 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7319 -23.0800 -23.0800 -23.0781 -23.0780 -11.5034 -11.5026 -11.5006 -11.4976 -10.4815 -10.4815 -10.4639 -10.4599 -10.4584 -10.4564 3.1154 3.1238 6.8385 6.9029 7.1492 7.2007 8.0972 8.1178 8.7862 8.8049 9.1694 9.1876 9.2366 9.2864 9.4796 9.5537 9.9487 9.9515 10.5926 10.6197 10.8826 10.9276 11.2252 11.2459 k = 0.4236 0.1323 0.6124 ( 5170 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7319 -23.0800 -23.0800 -23.0781 -23.0780 -11.5034 -11.5026 -11.5004 -11.4977 -10.4815 -10.4815 -10.4638 -10.4599 -10.4583 -10.4564 3.1117 3.1200 6.8184 6.8846 7.1354 7.1889 8.1553 8.1739 8.7710 8.7885 9.1707 9.1884 9.2323 9.2820 9.4897 9.5660 9.9808 9.9817 10.5677 10.5954 10.8831 10.9249 11.2145 11.2365 k = 0.4167 0.1443 0.6124 ( 5172 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7319 -23.0800 -23.0800 -23.0781 -23.0780 -11.5034 -11.5027 -11.5003 -11.4978 -10.4815 -10.4815 -10.4638 -10.4600 -10.4583 -10.4565 3.1083 3.1165 6.8009 6.8685 7.1233 7.1785 8.2094 8.2258 8.7551 8.7709 9.1725 9.1896 9.2281 9.2775 9.4980 9.5761 10.0143 10.0185 10.5400 10.5676 10.8839 10.9222 11.2052 11.2286 k = 0.4097 0.1564 0.6124 ( 5170 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7319 -23.0800 -23.0800 -23.0780 -23.0780 -11.5033 -11.5028 -11.5002 -11.4978 -10.4816 -10.4815 -10.4637 -10.4600 -10.4583 -10.4565 3.1053 3.1135 6.7859 6.8547 7.1131 7.1696 8.2588 8.2731 8.7387 8.7525 9.1747 9.1912 9.2239 9.2732 9.5047 9.5841 10.0514 10.0583 10.5095 10.5368 10.8850 10.9197 11.1973 11.2220 k = 0.4028 0.1684 0.6124 ( 5167 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7319 -23.0800 -23.0800 -23.0780 -23.0780 -11.5033 -11.5028 -11.5001 -11.4979 -10.4816 -10.4815 -10.4637 -10.4601 -10.4582 -10.4565 3.1028 3.1109 6.7736 6.8433 7.1046 7.1623 8.3026 8.3150 8.7225 8.7341 9.1771 9.1930 9.2200 9.2691 9.5099 9.5902 10.0909 10.0999 10.4768 10.5035 10.8862 10.9174 11.1910 11.2168 k = 0.3958 0.1804 0.6124 ( 5171 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7319 -23.0800 -23.0800 -23.0780 -23.0779 -11.5033 -11.5029 -11.5000 -11.4980 -10.4816 -10.4815 -10.4637 -10.4601 -10.4582 -10.4565 3.1008 3.1089 6.7640 6.8344 7.0980 7.1565 8.3395 8.3507 8.7070 8.7168 9.1796 9.1947 9.2165 9.2656 9.5136 9.5946 10.1312 10.1414 10.4429 10.4688 10.8874 10.9155 11.1861 11.2128 k = 0.3889 0.1925 0.6124 ( 5176 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7319 -23.0801 -23.0801 -23.0780 -23.0779 -11.5032 -11.5029 -11.5000 -11.4980 -10.4816 -10.4815 -10.4636 -10.4601 -10.4582 -10.4565 3.0994 3.1074 6.7571 6.8280 7.0932 7.1524 8.3679 8.3787 8.6937 8.7022 9.1819 9.1963 9.2134 9.2627 9.5162 9.5976 10.1698 10.1799 10.4100 10.4348 10.8884 10.9139 11.1826 11.2101 k = 0.3819 0.2045 0.6124 ( 5180 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7319 -23.0801 -23.0801 -23.0780 -23.0779 -11.5032 -11.5030 -11.4999 -11.4980 -10.4816 -10.4815 -10.4636 -10.4601 -10.4582 -10.4565 3.0985 3.1065 6.7529 6.8242 7.0904 7.1499 8.3859 8.3971 8.6842 8.6924 9.1836 9.1973 9.2113 9.2609 9.5177 9.5993 10.2020 10.2094 10.3832 10.4067 10.8891 10.9129 11.1805 11.2084 k = 0.3750 0.2165 0.6124 ( 5174 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7319 -23.0801 -23.0801 -23.0780 -23.0779 -11.5032 -11.5030 -11.4999 -11.4981 -10.4816 -10.4815 -10.4636 -10.4602 -10.4582 -10.4565 3.0982 3.1062 6.7515 6.8229 7.0894 7.1491 8.3921 8.4036 8.6807 8.6889 9.1842 9.1977 9.2106 9.2603 9.5181 9.5998 10.2170 10.2198 10.3720 10.3946 10.8894 10.9125 11.1798 11.2079 k = 0.3750 0.2165 0.6124 ( 5174 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7319 -23.0801 -23.0801 -23.0780 -23.0779 -11.5032 -11.5030 -11.4999 -11.4981 -10.4816 -10.4815 -10.4636 -10.4602 -10.4582 -10.4565 3.0982 3.1062 6.7515 6.8229 7.0894 7.1491 8.3921 8.4036 8.6807 8.6889 9.1842 9.1977 9.2106 9.2603 9.5181 9.5998 10.2170 10.2198 10.3720 10.3946 10.8894 10.9125 11.1798 11.2079 k = 0.3679 0.2124 0.6008 ( 5182 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7319 -23.0800 -23.0800 -23.0780 -23.0779 -11.5031 -11.5030 -11.4998 -11.4981 -10.4815 -10.4814 -10.4637 -10.4602 -10.4582 -10.4565 3.0922 3.1004 6.7572 6.8601 7.0140 7.1062 8.3578 8.3692 8.7028 8.7110 9.1809 9.1979 9.2113 9.2582 9.5388 9.6256 10.2533 10.2559 10.3948 10.4196 10.8820 10.9057 11.1779 11.2082 k = 0.3608 0.2083 0.5893 ( 5168 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7319 -23.0800 -23.0800 -23.0780 -23.0780 -11.5031 -11.5031 -11.4997 -11.4981 -10.4815 -10.4813 -10.4637 -10.4602 -10.4582 -10.4564 3.0841 3.0924 6.7461 6.8787 6.9634 7.0863 8.3248 8.3362 8.7253 8.7335 9.1773 9.1981 9.2116 9.2556 9.5590 9.6499 10.2868 10.2895 10.4188 10.4456 10.8753 10.8996 11.1780 11.2102 k = 0.3538 0.2043 0.5777 ( 5168 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7319 -23.0799 -23.0799 -23.0780 -23.0780 -11.5032 -11.5031 -11.4995 -11.4982 -10.4814 -10.4813 -10.4637 -10.4603 -10.4582 -10.4563 3.0736 3.0819 6.7183 6.8387 6.9779 7.0897 8.2932 8.3045 8.7480 8.7560 9.1734 9.1984 9.2117 9.2526 9.5784 9.6725 10.3173 10.3201 10.4442 10.4728 10.8694 10.8943 11.1800 11.2139 k = 0.3467 0.2002 0.5662 ( 5184 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7319 -23.0799 -23.0799 -23.0780 -23.0780 -11.5032 -11.5030 -11.4994 -11.4982 -10.4814 -10.4812 -10.4637 -10.4603 -10.4582 -10.4563 3.0604 3.0687 6.6800 6.7789 7.0192 7.1107 8.2630 8.2743 8.7707 8.7785 9.1692 9.1987 9.2114 9.2492 9.5967 9.6929 10.3446 10.3477 10.4716 10.5017 10.8646 10.8900 11.1840 11.2193 k = 0.3396 0.1961 0.5546 ( 5188 PWs) bands (ev): -47.0219 -47.0219 -23.7319 -23.7318 -23.0799 -23.0798 -23.0780 -23.0780 -11.5032 -11.5030 -11.4992 -11.4983 -10.4814 -10.4812 -10.4637 -10.4604 -10.4582 -10.4562 3.0443 3.0526 6.6376 6.7207 7.0661 7.1430 8.2343 8.2456 8.7933 8.8008 9.1647 9.1991 9.2107 9.2455 9.6138 9.7111 10.3683 10.3718 10.5012 10.5325 10.8610 10.8870 11.1899 11.2261 k = 0.3325 0.1920 0.5430 ( 5188 PWs) bands (ev): -47.0219 -47.0219 -23.7319 -23.7318 -23.0798 -23.0798 -23.0780 -23.0780 -11.5033 -11.5029 -11.4991 -11.4984 -10.4813 -10.4811 -10.4637 -10.4604 -10.4582 -10.4562 3.0252 3.0334 6.5956 6.6676 7.1155 7.1824 8.2071 8.2184 8.8155 8.8225 9.1599 9.1994 9.2093 9.2419 9.6292 9.7267 10.3882 10.3920 10.5337 10.5657 10.8590 10.8857 11.1976 11.2343 k = 0.3255 0.1879 0.5315 ( 5198 PWs) bands (ev): -47.0219 -47.0219 -23.7319 -23.7318 -23.0798 -23.0798 -23.0779 -23.0779 -11.5033 -11.5029 -11.4990 -11.4985 -10.4813 -10.4810 -10.4637 -10.4605 -10.4582 -10.4561 3.0029 3.0109 6.5567 6.6204 7.1667 7.2265 8.1814 8.1927 8.8373 8.8437 9.1548 9.1998 9.2072 9.2383 9.6428 9.7396 10.4040 10.4082 10.5694 10.6014 10.8588 10.8861 11.2071 11.2436 k = 0.3184 0.1838 0.5199 ( 5188 PWs) bands (ev): -47.0219 -47.0219 -23.7319 -23.7318 -23.0798 -23.0797 -23.0779 -23.0779 -11.5033 -11.5028 -11.4989 -11.4985 -10.4813 -10.4810 -10.4637 -10.4605 -10.4583 -10.4561 2.9772 2.9851 6.5224 6.5797 7.2192 7.2738 8.1573 8.1686 8.8584 8.8641 9.1494 9.2002 9.2042 9.2352 9.6543 9.7495 10.4156 10.4201 10.6085 10.6401 10.8607 10.8887 11.2183 11.2540 k = 0.3113 0.1797 0.5084 ( 5186 PWs) bands (ev): -47.0219 -47.0219 -23.7318 -23.7318 -23.0798 -23.0797 -23.0779 -23.0779 -11.5032 -11.5028 -11.4987 -11.4987 -10.4812 -10.4809 -10.4636 -10.4606 -10.4583 -10.4560 2.9482 2.9557 6.4936 6.5458 7.2729 7.3234 8.1348 8.1461 8.8788 8.8835 9.1436 9.2000 9.2006 9.2326 9.6636 9.7563 10.4228 10.4275 10.6510 10.6818 10.8648 10.8935 11.2310 11.2651 k = 0.3042 0.1757 0.4968 ( 5178 PWs) bands (ev): -47.0219 -47.0219 -23.7318 -23.7317 -23.0797 -23.0797 -23.0778 -23.0778 -11.5032 -11.5027 -11.4988 -11.4986 -10.4812 -10.4809 -10.4636 -10.4606 -10.4584 -10.4560 2.9157 2.9230 6.4710 6.5189 7.3275 7.3748 8.1139 8.1252 8.8982 8.9019 9.1374 9.1947 9.2010 9.2305 9.6705 9.7600 10.4255 10.4306 10.6968 10.7268 10.8714 10.9008 11.2453 11.2769 k = 0.2972 0.1716 0.4853 ( 5178 PWs) bands (ev): -47.0219 -47.0219 -23.7318 -23.7317 -23.0797 -23.0796 -23.0778 -23.0778 -11.5032 -11.5027 -11.4989 -11.4985 -10.4812 -10.4808 -10.4635 -10.4606 -10.4585 -10.4560 2.8799 2.8868 6.4547 6.4990 7.3829 7.4275 8.0947 8.1060 8.9167 8.9190 9.1310 9.1885 9.2014 9.2290 9.6749 9.7607 10.4240 10.4293 10.7458 10.7749 10.8804 10.9108 11.2611 11.2892 k = 0.2901 0.1675 0.4737 ( 5174 PWs) bands (ev): -47.0219 -47.0219 -23.7317 -23.7317 -23.0797 -23.0796 -23.0778 -23.0777 -11.5031 -11.5026 -11.4990 -11.4984 -10.4812 -10.4808 -10.4634 -10.4606 -10.4585 -10.4559 2.8408 2.8473 6.4451 6.4862 7.4388 7.4812 8.0771 8.0885 8.9340 8.9350 9.1242 9.1813 9.2018 9.2277 9.6768 9.7584 10.4183 10.4240 10.7969 10.8259 10.8920 10.9237 11.2786 11.3023 k = 0.2830 0.1634 0.4622 ( 5178 PWs) bands (ev): -47.0220 -47.0219 -23.7317 -23.7316 -23.0796 -23.0796 -23.0777 -23.0777 -11.5031 -11.5025 -11.4991 -11.4983 -10.4812 -10.4807 -10.4633 -10.4607 -10.4586 -10.4559 2.7986 2.8047 6.4421 6.4803 7.4952 7.5355 8.0613 8.0727 8.9496 8.9502 9.1171 9.1734 9.2021 9.2268 9.6761 9.7532 10.4087 10.4150 10.8486 10.8775 10.9078 10.9406 11.2980 11.3163 k = 0.2759 0.1593 0.4506 ( 5186 PWs) bands (ev): -47.0220 -47.0220 -23.7316 -23.7316 -23.0796 -23.0795 -23.0776 -23.0776 -11.5030 -11.5025 -11.4992 -11.4982 -10.4811 -10.4807 -10.4633 -10.4607 -10.4587 -10.4559 2.7534 2.7591 6.4456 6.4813 7.5519 7.5903 8.0473 8.0587 8.9628 8.9653 9.1097 9.1649 9.2025 9.2260 9.6731 9.7452 10.3956 10.4024 10.8966 10.9127 10.9438 10.9646 11.3201 11.3320 k = 0.2689 0.1552 0.4391 ( 5188 PWs) bands (ev): -47.0220 -47.0220 -23.7316 -23.7315 -23.0795 -23.0795 -23.0776 -23.0776 -11.5029 -11.5024 -11.4994 -11.4982 -10.4811 -10.4806 -10.4632 -10.4607 -10.4588 -10.4559 2.7056 2.7109 6.4555 6.4889 7.6085 7.6450 8.0351 8.0466 8.9747 8.9791 9.1021 9.1558 9.2029 9.2253 9.6676 9.7347 10.3792 10.3866 10.9314 10.9339 10.9989 11.0012 11.3460 11.3504 k = 0.2618 0.1511 0.4275 ( 5184 PWs) bands (ev): -47.0220 -47.0220 -23.7316 -23.7315 -23.0795 -23.0794 -23.0775 -23.0775 -11.5028 -11.5024 -11.4995 -11.4981 -10.4811 -10.4806 -10.4630 -10.4608 -10.4589 -10.4559 2.6554 2.6602 6.4717 6.5029 7.6648 7.6995 8.0250 8.0365 8.9851 8.9919 9.0944 9.1463 9.2032 9.2247 9.6599 9.7219 10.3599 10.3679 10.9493 10.9604 11.0482 11.0552 11.3736 11.3775 k = 0.2547 0.1471 0.4160 ( 5190 PWs) bands (ev): -47.0220 -47.0220 -23.7315 -23.7314 -23.0794 -23.0794 -23.0775 -23.0774 -11.5027 -11.5023 -11.4996 -11.4980 -10.4811 -10.4805 -10.4629 -10.4608 -10.4590 -10.4559 2.6030 2.6074 6.4939 6.5231 7.7205 7.7532 8.0172 8.0286 8.9942 9.0034 9.0867 9.1364 9.2035 9.2241 9.6500 9.7069 10.3379 10.3465 10.9677 10.9824 11.0967 11.1084 11.4042 11.4170 k = 0.2476 0.1430 0.4044 ( 5190 PWs) bands (ev): -47.0220 -47.0220 -23.7315 -23.7314 -23.0794 -23.0793 -23.0774 -23.0774 -11.5026 -11.5023 -11.4998 -11.4980 -10.4811 -10.4805 -10.4628 -10.4608 -10.4591 -10.4559 2.5488 2.5528 6.5218 6.5492 7.7750 7.8055 8.0123 8.0233 9.0017 9.0139 9.0790 9.1262 9.2037 9.2235 9.6383 9.6900 10.3136 10.3227 10.9869 11.0031 11.1409 11.1550 11.4456 11.4667 k = 0.2406 0.1389 0.3928 ( 5194 PWs) bands (ev): -47.0220 -47.0220 -23.7314 -23.7313 -23.0793 -23.0793 -23.0774 -23.0773 -11.5025 -11.5022 -11.4999 -11.4979 -10.4810 -10.4805 -10.4627 -10.4608 -10.4592 -10.4559 2.4931 2.4967 6.5551 6.5808 7.8273 7.8548 8.0114 8.0215 9.0076 9.0234 9.0717 9.1158 9.2039 9.2229 9.6248 9.6715 10.2870 10.2967 11.0066 11.0235 11.1782 11.1926 11.5001 11.5280 k = 0.2335 0.1348 0.3813 ( 5182 PWs) bands (ev): -47.0220 -47.0220 -23.7313 -23.7313 -23.0792 -23.0792 -23.0773 -23.0773 -11.5024 -11.5022 -11.5000 -11.4979 -10.4810 -10.4804 -10.4626 -10.4608 -10.4593 -10.4559 2.4361 2.4393 6.5936 6.6177 7.8754 7.8982 8.0172 8.0248 9.0117 9.0319 9.0652 9.1052 9.2040 9.2223 9.6097 9.6515 10.2584 10.2688 11.0268 11.0440 11.2085 11.2213 11.5677 11.6005 k = 0.2264 0.1307 0.3697 ( 5178 PWs) bands (ev): -47.0220 -47.0220 -23.7313 -23.7312 -23.0792 -23.0791 -23.0772 -23.0772 -11.5023 -11.5021 -11.5001 -11.4979 -10.4810 -10.4804 -10.4624 -10.4609 -10.4595 -10.4560 2.3783 2.3811 6.6369 6.6594 7.9156 7.9305 8.0349 8.0369 9.0136 9.0396 9.0599 9.0947 9.2040 9.2216 9.5934 9.6304 10.2280 10.2390 11.0473 11.0647 11.2328 11.2428 11.6465 11.6830 k = 0.2193 0.1266 0.3582 ( 5180 PWs) bands (ev): -47.0220 -47.0220 -23.7312 -23.7312 -23.0791 -23.0790 -23.0772 -23.0771 -11.5022 -11.5021 -11.5002 -11.4978 -10.4810 -10.4804 -10.4623 -10.4609 -10.4596 -10.4560 2.3198 2.3224 6.6846 6.7058 7.9436 7.9491 8.0618 8.0667 9.0131 9.0463 9.0562 9.0842 9.2039 9.2209 9.5760 9.6084 10.1959 10.2075 11.0682 11.0854 11.2528 11.2595 11.7342 11.7737 k = 0.2123 0.1226 0.3466 ( 5168 PWs) bands (ev): -47.0221 -47.0220 -23.7312 -23.7311 -23.0790 -23.0790 -23.0771 -23.0771 -11.5020 -11.5020 -11.5003 -11.4978 -10.4809 -10.4803 -10.4622 -10.4609 -10.4597 -10.4561 2.2610 2.2633 6.7365 6.7564 7.9591 7.9600 8.0986 8.1073 9.0104 9.0521 9.0543 9.0741 9.2037 9.2202 9.5577 9.5856 10.1623 10.1746 11.0893 11.1063 11.2696 11.2730 11.8291 11.8712 k = 0.2052 0.1185 0.3351 ( 5164 PWs) bands (ev): -47.0221 -47.0221 -23.7311 -23.7311 -23.0789 -23.0789 -23.0771 -23.0770 -11.5020 -11.5019 -11.5004 -11.4978 -10.4809 -10.4803 -10.4621 -10.4609 -10.4598 -10.4562 2.2021 2.2041 6.7923 6.8109 7.9659 7.9702 8.1418 8.1511 9.0060 9.0536 9.0561 9.0656 9.2033 9.2193 9.5389 9.5624 10.1273 10.1402 11.1106 11.1273 11.2842 11.2846 11.9297 11.9744 k = 0.1981 0.1144 0.3235 ( 5160 PWs) bands (ev): -47.0221 -47.0221 -23.7310 -23.7310 -23.0788 -23.0788 -23.0770 -23.0770 -11.5020 -11.5018 -11.5005 -11.4978 -10.4809 -10.4803 -10.4619 -10.4610 -10.4599 -10.4562 2.1435 2.1452 6.8516 6.8691 7.9719 7.9781 8.1870 8.1952 9.0008 9.0522 9.0536 9.0648 9.2028 9.2184 9.5196 9.5390 10.0910 10.1047 11.1319 11.1483 11.2952 11.2974 12.0352 12.0824 k = 0.1910 0.1103 0.3120 ( 5156 PWs) bands (ev): -47.0221 -47.0221 -23.7310 -23.7309 -23.0787 -23.0787 -23.0770 -23.0769 -11.5019 -11.5016 -11.5006 -11.4978 -10.4808 -10.4802 -10.4618 -10.4610 -10.4600 -10.4563 2.0852 2.0867 6.9141 6.9304 7.9784 7.9857 8.2320 8.2383 8.9956 9.0441 9.0538 9.0683 9.2020 9.2173 9.5002 9.5157 10.0537 10.0680 11.1533 11.1693 11.3051 11.3097 12.1449 12.1946 k = 0.1840 0.1062 0.3004 ( 5164 PWs) bands (ev): -47.0221 -47.0221 -23.7309 -23.7309 -23.0786 -23.0786 -23.0769 -23.0769 -11.5019 -11.5015 -11.5006 -11.4979 -10.4808 -10.4802 -10.4617 -10.4610 -10.4601 -10.4564 2.0276 2.0290 6.9794 6.9947 7.9858 7.9939 8.2757 8.2795 8.9910 9.0364 9.0538 9.0718 9.2010 9.2161 9.4809 9.4927 10.0153 10.0305 11.1746 11.1903 11.3148 11.3213 12.2581 12.3102 k = 0.1769 0.1021 0.2889 ( 5164 PWs) bands (ev): -47.0221 -47.0221 -23.7308 -23.7308 -23.0785 -23.0785 -23.0769 -23.0768 -11.5019 -11.5014 -11.5007 -11.4979 -10.4807 -10.4802 -10.4616 -10.4610 -10.4602 -10.4565 1.9709 1.9720 7.0473 7.0616 7.9944 8.0029 8.3172 8.3182 8.9874 9.0297 9.0535 9.0748 9.1997 9.2147 9.4620 9.4702 9.9762 9.9922 11.1959 11.2111 11.3245 11.3326 12.3742 12.4288 k = 0.1698 0.0980 0.2773 ( 5168 PWs) bands (ev): -47.0221 -47.0221 -23.7308 -23.7307 -23.0784 -23.0783 -23.0768 -23.0768 -11.5018 -11.5013 -11.5007 -11.4979 -10.4807 -10.4802 -10.4614 -10.4611 -10.4603 -10.4566 1.9152 1.9162 7.1174 7.1308 8.0042 8.0131 8.3541 8.3560 8.9854 9.0244 9.0527 9.0773 9.1980 9.2132 9.4437 9.4486 9.9364 9.9532 11.2170 11.2317 11.3343 11.3436 12.4928 12.5493 k = 0.1627 0.0940 0.2657 ( 5172 PWs) bands (ev): -47.0221 -47.0221 -23.7307 -23.7307 -23.0783 -23.0782 -23.0768 -23.0767 -11.5018 -11.5011 -11.5008 -11.4980 -10.4806 -10.4801 -10.4613 -10.4611 -10.4604 -10.4568 1.8607 1.8616 7.1893 7.2018 8.0154 8.0245 8.3867 8.3914 8.9852 9.0207 9.0513 9.0793 9.1959 9.2114 9.4263 9.4282 9.8961 9.9139 11.2379 11.2522 11.3443 11.3546 12.6128 12.6700 k = 0.1557 0.0899 0.2542 ( 5164 PWs) bands (ev): -47.0221 -47.0221 -23.7306 -23.7306 -23.0781 -23.0781 -23.0767 -23.0767 -11.5018 -11.5010 -11.5008 -11.4980 -10.4806 -10.4801 -10.4612 -10.4611 -10.4605 -10.4569 1.8076 1.8084 7.2627 7.2744 8.0279 8.0373 8.4158 8.4231 8.9875 9.0189 9.0492 9.0805 9.1931 9.2093 9.4092 9.4100 9.8556 9.8742 11.2586 11.2723 11.3545 11.3655 12.7328 12.7866 k = 0.1486 0.0858 0.2426 ( 5162 PWs) bands (ev): -47.0222 -47.0222 -23.7306 -23.7305 -23.0780 -23.0780 -23.0767 -23.0767 -11.5017 -11.5009 -11.5008 -11.4981 -10.4805 -10.4801 -10.4612 -10.4611 -10.4606 -10.4570 1.7561 1.7567 7.3373 7.3482 8.0418 8.0513 8.4410 8.4506 8.9923 9.0190 9.0465 9.0811 9.1895 9.2068 9.3919 9.3950 9.8149 9.8346 11.2789 11.2922 11.3650 11.3765 12.8487 12.8870 k = 0.1415 0.0817 0.2311 ( 5152 PWs) bands (ev): -47.0222 -47.0222 -23.7305 -23.7305 -23.0779 -23.0779 -23.0767 -23.0766 -11.5017 -11.5008 -11.5008 -11.4982 -10.4805 -10.4801 -10.4612 -10.4610 -10.4607 -10.4572 1.7062 1.7067 7.4126 7.4228 8.0570 8.0668 8.4622 8.4738 8.9999 9.0210 9.0430 9.0811 9.1849 9.2039 9.3766 9.3818 9.7743 9.7951 11.2989 11.3116 11.3758 11.3875 12.9489 12.9581 k = 0.1344 0.0776 0.2195 ( 5156 PWs) bands (ev): -47.0222 -47.0222 -23.7304 -23.7304 -23.0778 -23.0778 -23.0766 -23.0766 -11.5017 -11.5008 -11.5007 -11.4982 -10.4804 -10.4800 -10.4612 -10.4609 -10.4607 -10.4573 1.6581 1.6585 7.4883 7.4977 8.0737 8.0835 8.4795 8.4925 9.0099 9.0246 9.0393 9.0809 9.1793 9.2005 9.3635 9.3703 9.7340 9.7560 11.3185 11.3306 11.3867 11.3985 13.0077 13.0175 k = 0.1274 0.0735 0.2080 ( 5152 PWs) bands (ev): -47.0222 -47.0222 -23.7304 -23.7303 -23.0777 -23.0777 -23.0766 -23.0766 -11.5016 -11.5008 -11.5006 -11.4983 -10.4804 -10.4800 -10.4612 -10.4608 -10.4608 -10.4575 1.6119 1.6122 7.5639 7.5726 8.0917 8.1017 8.4930 8.5069 9.0192 9.0289 9.0381 9.0810 9.1724 9.1963 9.3529 9.3609 9.6944 9.7175 11.3375 11.3491 11.3978 11.4095 13.0446 13.0603 k = 0.1203 0.0694 0.1964 ( 5150 PWs) bands (ev): -47.0222 -47.0222 -23.7303 -23.7303 -23.0775 -23.0775 -23.0766 -23.0765 -11.5016 -11.5008 -11.5005 -11.4984 -10.4803 -10.4800 -10.4613 -10.4608 -10.4607 -10.4577 1.5676 1.5679 7.6389 7.6470 8.1110 8.1212 8.5029 8.5174 9.0194 9.0322 9.0475 9.0829 9.1642 9.1913 9.3447 9.3536 9.6558 9.6801 11.3561 11.3670 11.4090 11.4205 13.0717 13.0878 k = 0.1132 0.0654 0.1849 ( 5138 PWs) bands (ev): -47.0222 -47.0222 -23.7302 -23.7302 -23.0774 -23.0774 -23.0766 -23.0765 -11.5016 -11.5008 -11.5005 -11.4985 -10.4802 -10.4800 -10.4613 -10.4608 -10.4607 -10.4578 1.5255 1.5258 7.7128 7.7203 8.1318 8.1420 8.5097 8.5244 9.0129 9.0326 9.0645 9.0882 9.1549 9.1855 9.3390 9.3484 9.6185 9.6439 11.3740 11.3843 11.4203 11.4314 13.0892 13.1037 k = 0.1061 0.0613 0.1733 ( 5130 PWs) bands (ev): -47.0222 -47.0222 -23.7302 -23.7302 -23.0773 -23.0773 -23.0765 -23.0765 -11.5015 -11.5008 -11.5004 -11.4986 -10.4802 -10.4800 -10.4613 -10.4608 -10.4606 -10.4580 1.4856 1.4858 7.7851 7.7921 8.1539 8.1643 8.5138 8.5284 9.0043 9.0292 9.0835 9.0971 9.1451 9.1789 9.3353 9.3452 9.5829 9.6092 11.3912 11.4010 11.4314 11.4421 13.0971 13.1092 k = 0.0991 0.0572 0.1618 ( 5118 PWs) bands (ev): -47.0222 -47.0222 -23.7301 -23.7301 -23.0772 -23.0772 -23.0765 -23.0765 -11.5015 -11.5007 -11.5003 -11.4987 -10.4801 -10.4799 -10.4613 -10.4609 -10.4606 -10.4582 1.4479 1.4480 7.8552 7.8617 8.1773 8.1879 8.5157 8.5302 8.9944 9.0226 9.0994 9.1075 9.1386 9.1725 9.3337 9.3438 9.5496 9.5766 11.4078 11.4169 11.4424 11.4525 13.0955 13.1048 k = 0.0920 0.0531 0.1502 ( 5120 PWs) bands (ev): -47.0222 -47.0222 -23.7301 -23.7301 -23.0771 -23.0771 -23.0765 -23.0765 -11.5014 -11.5007 -11.5003 -11.4988 -10.4801 -10.4799 -10.4613 -10.4609 -10.4605 -10.4584 1.4125 1.4127 7.9225 7.9285 8.2022 8.2129 8.5159 8.5301 8.9835 9.0137 9.1002 9.1149 9.1467 9.1697 9.3337 9.3440 9.5188 9.5461 11.4235 11.4320 11.4532 11.4626 13.0848 13.0916 k = 0.0849 0.0490 0.1387 ( 5120 PWs) bands (ev): -47.0223 -47.0223 -23.7300 -23.7300 -23.0770 -23.0770 -23.0765 -23.0764 -11.5013 -11.5007 -11.5002 -11.4989 -10.4800 -10.4799 -10.4613 -10.4609 -10.4605 -10.4586 1.3796 1.3797 7.9863 7.9919 8.2285 8.2393 8.5148 8.5288 8.9719 9.0032 9.0875 9.1128 9.1673 9.1759 9.3350 9.3455 9.4911 9.5182 11.4384 11.4462 11.4636 11.4724 13.0661 13.0706 k = 0.0778 0.0449 0.1271 ( 5120 PWs) bands (ev): -47.0223 -47.0223 -23.7300 -23.7300 -23.0769 -23.0769 -23.0764 -23.0764 -11.5013 -11.5006 -11.5002 -11.4990 -10.4800 -10.4799 -10.4613 -10.4609 -10.4604 -10.4587 1.3490 1.3491 8.0459 8.0512 8.2563 8.2673 8.5130 8.5268 8.9599 8.9916 9.0699 9.1008 9.1907 9.1914 9.3373 9.3479 9.4666 9.4930 11.4523 11.4595 11.4735 11.4816 13.0407 13.0434 k = 0.0708 0.0409 0.1155 ( 5116 PWs) bands (ev): -47.0223 -47.0223 -23.7299 -23.7299 -23.0768 -23.0768 -23.0764 -23.0764 -11.5012 -11.5006 -11.5002 -11.4991 -10.4800 -10.4799 -10.4613 -10.4608 -10.4604 -10.4589 1.3210 1.3210 8.1007 8.1055 8.2856 8.2968 8.5108 8.5245 8.9475 8.9792 9.0497 9.0828 9.2100 9.2163 9.3404 9.3510 9.4456 9.4707 11.4653 11.4719 11.4829 11.4902 13.0101 13.0115 k = 0.0637 0.0368 0.1040 ( 5104 PWs) bands (ev): -47.0223 -47.0223 -23.7299 -23.7299 -23.0767 -23.0767 -23.0764 -23.0764 -11.5011 -11.5006 -11.5001 -11.4992 -10.4799 -10.4799 -10.4613 -10.4608 -10.4604 -10.4591 1.2955 1.2955 8.1500 8.1544 8.3163 8.3277 8.5087 8.5223 8.9351 8.9662 9.0276 9.0610 9.2315 9.2413 9.3440 9.3544 9.4279 9.4513 11.4773 11.4832 11.4916 11.4982 12.9761 12.9766 k = 0.0566 0.0327 0.0924 ( 5104 PWs) bands (ev): -47.0223 -47.0223 -23.7298 -23.7298 -23.0767 -23.0767 -23.0764 -23.0764 -11.5010 -11.5005 -11.5001 -11.4993 -10.4799 -10.4798 -10.4612 -10.4608 -10.4604 -10.4593 1.2726 1.2726 8.1936 8.1974 8.3479 8.3596 8.5071 8.5205 8.9229 8.9530 9.0043 9.0367 9.2537 9.2657 9.3479 9.3580 9.4133 9.4346 11.4882 11.4935 11.4997 11.5055 12.9403 12.9404 k = 0.0495 0.0286 0.0809 ( 5098 PWs) bands (ev): -47.0223 -47.0223 -23.7298 -23.7298 -23.0766 -23.0766 -23.0764 -23.0764 -11.5009 -11.5005 -11.5001 -11.4994 -10.4799 -10.4798 -10.4612 -10.4608 -10.4604 -10.4594 1.2523 1.2523 8.2313 8.2344 8.3799 8.3917 8.5062 8.5195 8.9111 8.9398 8.9803 9.0109 9.2759 9.2889 9.3519 9.3615 9.4017 9.4205 11.4980 11.5026 11.5069 11.5120 12.9044 12.9045 k = 0.0425 0.0245 0.0693 ( 5098 PWs) bands (ev): -47.0223 -47.0223 -23.7298 -23.7298 -23.0765 -23.0765 -23.0764 -23.0764 -11.5009 -11.5004 -11.5001 -11.4995 -10.4798 -10.4798 -10.4611 -10.4607 -10.4604 -10.4596 1.2346 1.2346 8.2632 8.2657 8.4111 8.4229 8.5065 8.5194 8.9001 8.9267 8.9563 8.9845 9.2974 9.3104 9.3558 9.3647 9.3925 9.4088 11.5066 11.5106 11.5133 11.5176 12.8700 12.8702 k = 0.0354 0.0204 0.0578 ( 5102 PWs) bands (ev): -47.0223 -47.0223 -23.7298 -23.7298 -23.0765 -23.0765 -23.0764 -23.0764 -11.5008 -11.5004 -11.5001 -11.4997 -10.4798 -10.4798 -10.4610 -10.4607 -10.4604 -10.4598 1.2197 1.2197 8.2897 8.2914 8.4406 8.4520 8.5080 8.5204 8.8901 8.9140 8.9333 8.9585 9.3173 9.3297 9.3595 9.3676 9.3854 9.3992 11.5140 11.5173 11.5188 11.5224 12.8385 12.8386 k = 0.0283 0.0163 0.0462 ( 5098 PWs) bands (ev): -47.0223 -47.0223 -23.7297 -23.7297 -23.0764 -23.0764 -23.0764 -23.0764 -11.5007 -11.5004 -11.5001 -11.4998 -10.4798 -10.4798 -10.4609 -10.4607 -10.4604 -10.4599 1.2074 1.2074 8.3108 8.3118 8.4673 8.4778 8.5110 8.5223 8.8816 8.9022 8.9123 8.9339 9.3352 9.3460 9.3629 9.3701 9.3802 9.3915 11.5202 11.5228 11.5234 11.5263 12.8110 12.8111 k = 0.0212 0.0123 0.0347 ( 5086 PWs) bands (ev): -47.0223 -47.0223 -23.7297 -23.7297 -23.0764 -23.0764 -23.0764 -23.0764 -11.5006 -11.5003 -11.5002 -11.4999 -10.4798 -10.4798 -10.4608 -10.4606 -10.4604 -10.4601 1.1978 1.1978 8.3268 8.3273 8.4901 8.4990 8.5151 8.5245 8.8751 8.8915 8.8945 8.9118 9.3500 9.3586 9.3661 9.3720 9.3767 9.3856 11.5251 11.5271 11.5271 11.5292 12.7886 12.7887 k = 0.0142 0.0082 0.0231 ( 5071 PWs) bands (ev): -47.0223 -47.0223 -23.7297 -23.7297 -23.0764 -23.0764 -23.0764 -23.0764 -11.5004 -11.5003 -11.5002 -11.5000 -10.4798 -10.4798 -10.4607 -10.4606 -10.4604 -10.4602 1.1909 1.1910 8.3379 8.3380 8.5080 8.5147 8.5196 8.5265 8.8710 8.8813 8.8825 8.8934 9.3612 9.3656 9.3705 9.3736 9.3747 9.3811 11.5288 11.5298 11.5301 11.5312 12.7720 12.7720 k = 0.0071 0.0041 0.0116 ( 5065 PWs) bands (ev): -47.0223 -47.0223 -23.7297 -23.7297 -23.0764 -23.0764 -23.0764 -23.0764 -11.5003 -11.5003 -11.5002 -11.5001 -10.4798 -10.4798 -10.4606 -10.4605 -10.4605 -10.4604 1.1868 1.1868 8.3443 8.3443 8.5202 8.5236 8.5238 8.5273 8.8698 8.8739 8.8759 8.8801 9.3673 9.3679 9.3748 9.3749 9.3749 9.3781 11.5311 11.5315 11.5318 11.5322 12.7618 12.7618 k = 0.0000 0.0000 0.0000 ( 5065 PWs) bands (ev): -47.0223 -47.0223 -23.7297 -23.7297 -23.0764 -23.0764 -23.0764 -23.0764 -11.5002 -11.5002 -11.5002 -11.5002 -10.4798 -10.4798 -10.4605 -10.4605 -10.4605 -10.4605 1.1855 1.1855 8.3464 8.3464 8.5260 8.5260 8.5260 8.5260 8.8724 8.8724 8.8724 8.8724 9.3686 9.3686 9.3761 9.3761 9.3761 9.3761 11.5322 11.5322 11.5322 11.5322 12.7584 12.7584 k = 0.0000 0.0000 0.0000 ( 5065 PWs) bands (ev): -47.0223 -47.0223 -23.7297 -23.7297 -23.0764 -23.0764 -23.0764 -23.0764 -11.5002 -11.5002 -11.5002 -11.5002 -10.4798 -10.4798 -10.4605 -10.4605 -10.4605 -10.4605 1.1855 1.1855 8.3464 8.3464 8.5260 8.5260 8.5260 8.5260 8.8724 8.8724 8.8724 8.8724 9.3686 9.3686 9.3761 9.3761 9.3761 9.3761 11.5322 11.5322 11.5322 11.5322 12.7584 12.7584 k = 0.0116 0.0067 0.0047 ( 5065 PWs) bands (ev): -47.0223 -47.0223 -23.7297 -23.7297 -23.0764 -23.0764 -23.0764 -23.0764 -11.5003 -11.5002 -11.5002 -11.5001 -10.4798 -10.4798 -10.4606 -10.4605 -10.4605 -10.4604 1.1869 1.1869 8.3443 8.3443 8.5207 8.5236 8.5236 8.5267 8.8700 8.8749 8.8749 8.8801 9.3675 9.3675 9.3748 9.3748 9.3749 9.3782 11.5311 11.5316 11.5316 11.5322 12.7619 12.7619 k = 0.0233 0.0134 0.0095 ( 5080 PWs) bands (ev): -47.0223 -47.0223 -23.7297 -23.7297 -23.0764 -23.0764 -23.0764 -23.0764 -11.5005 -11.5002 -11.5002 -11.5000 -10.4798 -10.4798 -10.4608 -10.4605 -10.4605 -10.4602 1.1910 1.1910 8.3380 8.3380 8.5114 8.5166 8.5166 8.5228 8.8727 8.8820 8.8820 8.8924 9.3620 9.3620 9.3734 9.3734 9.3746 9.3812 11.5289 11.5299 11.5299 11.5311 12.7722 12.7722 k = 0.0349 0.0201 0.0142 ( 5095 PWs) bands (ev): -47.0223 -47.0223 -23.7297 -23.7297 -23.0764 -23.0764 -23.0764 -23.0764 -11.5006 -11.5002 -11.5002 -11.4999 -10.4798 -10.4798 -10.4609 -10.4605 -10.4605 -10.4601 1.1980 1.1980 8.3278 8.3278 8.4987 8.5051 8.5051 8.5146 8.8802 8.8935 8.8935 8.9085 9.3507 9.3507 9.3736 9.3736 9.3753 9.3852 11.5255 11.5270 11.5270 11.5288 12.7890 12.7890 k = 0.0465 0.0269 0.0190 ( 5092 PWs) bands (ev): -47.0223 -47.0223 -23.7297 -23.7297 -23.0764 -23.0764 -23.0764 -23.0764 -11.5007 -11.5003 -11.5003 -11.4997 -10.4798 -10.4798 -10.4610 -10.4605 -10.4605 -10.4599 1.2077 1.2077 8.3137 8.3137 8.4836 8.4892 8.4892 8.5029 8.8917 8.9087 8.9087 8.9277 9.3349 9.3349 9.3747 9.3747 9.3769 9.3903 11.5210 11.5230 11.5230 11.5255 12.8115 12.8115 k = 0.0581 0.0336 0.0237 ( 5101 PWs) bands (ev): -47.0223 -47.0223 -23.7298 -23.7298 -23.0765 -23.0765 -23.0764 -23.0764 -11.5008 -11.5003 -11.5003 -11.4996 -10.4798 -10.4798 -10.4610 -10.4606 -10.4606 -10.4597 1.2201 1.2201 8.2959 8.2959 8.4665 8.4692 8.4692 8.4884 8.9062 8.9268 8.9268 8.9490 9.3157 9.3157 9.3766 9.3766 9.3798 9.3966 11.5156 11.5180 11.5180 11.5211 12.8389 12.8389 k = 0.0698 0.0403 0.0285 ( 5095 PWs) bands (ev): -47.0223 -47.0223 -23.7298 -23.7298 -23.0765 -23.0765 -23.0764 -23.0764 -11.5009 -11.5003 -11.5003 -11.4995 -10.4798 -10.4798 -10.4611 -10.4606 -10.4606 -10.4596 1.2353 1.2353 8.2742 8.2742 8.4454 8.4454 8.4483 8.4719 8.9228 8.9473 8.9473 8.9717 9.2940 9.2940 9.3793 9.3793 9.3840 9.4044 11.5091 11.5119 11.5119 11.5156 12.8700 12.8700 k = 0.0814 0.0470 0.0332 ( 5101 PWs) bands (ev): -47.0223 -47.0223 -23.7298 -23.7298 -23.0766 -23.0766 -23.0764 -23.0764 -11.5010 -11.5003 -11.5003 -11.4994 -10.4798 -10.4798 -10.4612 -10.4606 -10.4606 -10.4594 1.2531 1.2531 8.2482 8.2482 8.4186 8.4186 8.4292 8.4539 8.9406 8.9693 8.9693 8.9949 9.2708 9.2708 9.3830 9.3830 9.3898 9.4137 11.5016 11.5048 11.5048 11.5092 12.9034 12.9034 k = 0.0930 0.0537 0.0380 ( 5101 PWs) bands (ev): -47.0223 -47.0223 -23.7298 -23.7298 -23.0767 -23.0767 -23.0764 -23.0764 -11.5010 -11.5003 -11.5003 -11.4993 -10.4799 -10.4799 -10.4612 -10.4606 -10.4606 -10.4592 1.2737 1.2737 8.2174 8.2174 8.3897 8.3897 8.4098 8.4351 8.9589 8.9921 8.9921 9.0181 9.2470 9.2470 9.3879 9.3879 9.3976 9.4250 11.4933 11.4968 11.4968 11.5020 12.9375 12.9375 k = 0.1047 0.0604 0.0427 ( 5107 PWs) bands (ev): -47.0223 -47.0223 -23.7299 -23.7299 -23.0767 -23.0767 -23.0764 -23.0764 -11.5011 -11.5004 -11.5004 -11.4992 -10.4799 -10.4799 -10.4612 -10.4606 -10.4606 -10.4590 1.2969 1.2969 8.1806 8.1806 8.3598 8.3598 8.3901 8.4159 8.9770 9.0150 9.0150 9.0405 9.2235 9.2235 9.3945 9.3945 9.4078 9.4383 11.4842 11.4880 11.4880 11.4938 12.9701 12.9701 k = 0.1163 0.0671 0.0475 ( 5113 PWs) bands (ev): -47.0223 -47.0223 -23.7299 -23.7299 -23.0768 -23.0768 -23.0764 -23.0764 -11.5012 -11.5004 -11.5004 -11.4991 -10.4799 -10.4799 -10.4612 -10.4607 -10.4607 -10.4588 1.3227 1.3227 8.1369 8.1369 8.3302 8.3302 8.3705 8.3964 8.9944 9.0368 9.0368 9.0615 9.2011 9.2011 9.4031 9.4031 9.4207 9.4540 11.4743 11.4784 11.4784 11.4849 12.9991 12.9991 k = 0.1279 0.0738 0.0522 ( 5119 PWs) bands (ev): -47.0223 -47.0223 -23.7300 -23.7300 -23.0769 -23.0769 -23.0764 -23.0764 -11.5013 -11.5004 -11.5004 -11.4990 -10.4799 -10.4799 -10.4613 -10.4607 -10.4607 -10.4587 1.3511 1.3511 8.0857 8.0857 8.3020 8.3020 8.3511 8.3769 9.0107 9.0566 9.0566 9.0805 9.1808 9.1808 9.4142 9.4142 9.4368 9.4722 11.4637 11.4681 11.4681 11.4753 13.0218 13.0218 k = 0.1395 0.0806 0.0570 ( 5113 PWs) bands (ev): -47.0223 -47.0223 -23.7300 -23.7300 -23.0770 -23.0770 -23.0764 -23.0764 -11.5013 -11.5005 -11.5005 -11.4989 -10.4800 -10.4800 -10.4612 -10.4607 -10.4607 -10.4585 1.3819 1.3819 8.0270 8.0270 8.2755 8.2755 8.3320 8.3576 9.0255 9.0727 9.0727 9.0972 9.1640 9.1640 9.4284 9.4284 9.4562 9.4930 11.4526 11.4572 11.4572 11.4652 13.0353 13.0353 k = 0.1512 0.0873 0.0617 ( 5113 PWs) bands (ev): -47.0222 -47.0222 -23.7301 -23.7301 -23.0771 -23.0771 -23.0764 -23.0764 -11.5014 -11.5005 -11.5005 -11.4988 -10.4800 -10.4800 -10.4612 -10.4608 -10.4608 -10.4583 1.4153 1.4153 7.9613 7.9613 8.2509 8.2509 8.3133 8.3387 9.0387 9.0824 9.0824 9.1113 9.1529 9.1529 9.4460 9.4460 9.4792 9.5165 11.4410 11.4458 11.4458 11.4544 13.0367 13.0367 k = 0.1628 0.0940 0.0665 ( 5125 PWs) bands (ev): -47.0222 -47.0222 -23.7301 -23.7301 -23.0773 -23.0773 -23.0765 -23.0764 -11.5014 -11.5005 -11.5005 -11.4987 -10.4800 -10.4800 -10.4612 -10.4608 -10.4608 -10.4581 1.4510 1.4510 7.8892 7.8892 8.2280 8.2280 8.2950 8.3201 9.0500 9.0834 9.0834 9.1226 9.1496 9.1496 9.4673 9.4673 9.5056 9.5427 11.4290 11.4340 11.4340 11.4433 13.0237 13.0237 k = 0.1744 0.1007 0.0712 ( 5138 PWs) bands (ev): -47.0222 -47.0222 -23.7302 -23.7302 -23.0774 -23.0774 -23.0765 -23.0764 -11.5014 -11.5006 -11.5006 -11.4986 -10.4801 -10.4801 -10.4611 -10.4609 -10.4609 -10.4579 1.4891 1.4891 7.8115 7.8115 8.2065 8.2065 8.2773 8.3020 9.0596 9.0772 9.0772 9.1314 9.1523 9.1523 9.4924 9.4924 9.5354 9.5715 11.4166 11.4218 11.4218 11.4318 12.9949 12.9949 k = 0.1860 0.1074 0.0760 ( 5126 PWs) bands (ev): -47.0222 -47.0222 -23.7302 -23.7302 -23.0775 -23.0775 -23.0765 -23.0764 -11.5015 -11.5006 -11.5006 -11.4985 -10.4801 -10.4801 -10.4611 -10.4609 -10.4609 -10.4577 1.5295 1.5295 7.7291 7.7291 8.1864 8.1864 8.2602 8.2845 9.0673 9.0679 9.0679 9.1377 9.1571 9.1571 9.5212 9.5212 9.5682 9.6028 11.4041 11.4094 11.4094 11.4200 12.9505 12.9505 k = 0.1977 0.1141 0.0807 ( 5144 PWs) bands (ev): -47.0222 -47.0222 -23.7303 -23.7303 -23.0776 -23.0776 -23.0765 -23.0765 -11.5015 -11.5007 -11.5007 -11.4985 -10.4801 -10.4801 -10.4610 -10.4609 -10.4609 -10.4576 1.5720 1.5720 7.6426 7.6426 8.1674 8.1674 8.2438 8.2675 9.0581 9.0581 9.0735 9.1420 9.1614 9.1614 9.5534 9.5534 9.6036 9.6363 11.3914 11.3968 11.3968 11.4081 12.8920 12.8920 k = 0.2093 0.1208 0.0854 ( 5144 PWs) bands (ev): -47.0222 -47.0222 -23.7304 -23.7304 -23.0778 -23.0778 -23.0765 -23.0765 -11.5015 -11.5007 -11.5007 -11.4984 -10.4802 -10.4802 -10.4610 -10.4610 -10.4609 -10.4574 1.6166 1.6166 7.5528 7.5528 8.1495 8.1495 8.2279 8.2511 9.0489 9.0489 9.0781 9.1444 9.1645 9.1645 9.5885 9.5885 9.6412 9.6719 11.3786 11.3841 11.3841 11.3960 12.8218 12.8218 k = 0.2209 0.1276 0.0902 ( 5156 PWs) bands (ev): -47.0222 -47.0222 -23.7304 -23.7304 -23.0779 -23.0779 -23.0765 -23.0765 -11.5015 -11.5008 -11.5008 -11.4983 -10.4802 -10.4802 -10.4610 -10.4610 -10.4608 -10.4572 1.6631 1.6631 7.4602 7.4602 8.1325 8.1325 8.2127 8.2354 9.0406 9.0406 9.0814 9.1453 9.1661 9.1661 9.6261 9.6261 9.6808 9.7092 11.3659 11.3714 11.3714 11.3840 12.7427 12.7427 k = 0.2326 0.1343 0.0949 ( 5162 PWs) bands (ev): -47.0222 -47.0222 -23.7305 -23.7305 -23.0780 -23.0780 -23.0765 -23.0765 -11.5015 -11.5008 -11.5008 -11.4983 -10.4802 -10.4802 -10.4611 -10.4611 -10.4607 -10.4571 1.7116 1.7116 7.3655 7.3655 8.1164 8.1164 8.1983 8.2203 9.0335 9.0335 9.0835 9.1449 9.1664 9.1664 9.6659 9.6659 9.7219 9.7480 11.3533 11.3587 11.3587 11.3720 12.6572 12.6572 k = 0.2442 0.1410 0.0997 ( 5168 PWs) bands (ev): -47.0222 -47.0222 -23.7305 -23.7305 -23.0782 -23.0782 -23.0765 -23.0765 -11.5015 -11.5009 -11.5009 -11.4983 -10.4803 -10.4803 -10.4611 -10.4611 -10.4606 -10.4569 1.7617 1.7617 7.2691 7.2691 8.1011 8.1011 8.1845 8.2059 9.0276 9.0276 9.0846 9.1434 9.1655 9.1655 9.7074 9.7074 9.7643 9.7882 11.3410 11.3462 11.3462 11.3602 12.5674 12.5674 k = 0.2558 0.1477 0.1044 ( 5171 PWs) bands (ev): -47.0221 -47.0221 -23.7306 -23.7306 -23.0783 -23.0783 -23.0766 -23.0765 -11.5014 -11.5009 -11.5009 -11.4982 -10.4803 -10.4803 -10.4612 -10.4612 -10.4604 -10.4568 1.8134 1.8134 7.1716 7.1716 8.0867 8.0867 8.1714 8.1922 9.0228 9.0228 9.0848 9.1410 9.1637 9.1637 9.7503 9.7503 9.8078 9.8294 11.3289 11.3339 11.3339 11.3486 12.4750 12.4750 k = 0.2674 0.1544 0.1092 ( 5177 PWs) bands (ev): -47.0221 -47.0221 -23.7307 -23.7307 -23.0784 -23.0784 -23.0766 -23.0765 -11.5014 -11.5010 -11.5010 -11.4982 -10.4803 -10.4803 -10.4613 -10.4613 -10.4603 -10.4567 1.8666 1.8666 7.0733 7.0733 8.0731 8.0731 8.1590 8.1791 9.0193 9.0193 9.0842 9.1378 9.1611 9.1611 9.7943 9.7943 9.8519 9.8714 11.3171 11.3219 11.3219 11.3373 12.3816 12.3816 k = 0.2791 0.1611 0.1139 ( 5177 PWs) bands (ev): -47.0221 -47.0221 -23.7307 -23.7307 -23.0786 -23.0786 -23.0766 -23.0765 -11.5013 -11.5010 -11.5010 -11.4982 -10.4804 -10.4804 -10.4613 -10.4613 -10.4601 -10.4566 1.9210 1.9210 6.9748 6.9748 8.0602 8.0602 8.1473 8.1667 9.0168 9.0168 9.0830 9.1341 9.1579 9.1579 9.8391 9.8391 9.8966 9.9140 11.3058 11.3101 11.3101 11.3263 12.2882 12.2882 k = 0.2907 0.1678 0.1187 ( 5177 PWs) bands (ev): -47.0221 -47.0221 -23.7308 -23.7308 -23.0787 -23.0787 -23.0766 -23.0766 -11.5013 -11.5011 -11.5011 -11.4982 -10.4804 -10.4804 -10.4614 -10.4614 -10.4600 -10.4565 1.9764 1.9764 6.8765 6.8765 8.0481 8.0481 8.1363 8.1550 9.0154 9.0154 9.0814 9.1298 9.1542 9.1542 9.8844 9.8844 9.9415 9.9569 11.2949 11.2988 11.2988 11.3158 12.1957 12.1957 k = 0.3023 0.1745 0.1234 ( 5174 PWs) bands (ev): -47.0221 -47.0221 -23.7309 -23.7309 -23.0788 -23.0788 -23.0766 -23.0766 -11.5012 -11.5011 -11.5011 -11.4982 -10.4804 -10.4804 -10.4614 -10.4614 -10.4598 -10.4564 2.0326 2.0326 6.7788 6.7788 8.0368 8.0368 8.1260 8.1439 9.0149 9.0149 9.0793 9.1252 9.1502 9.1502 9.9300 9.9300 9.9864 10.0000 11.2846 11.2878 11.2878 11.3057 12.1049 12.1049 k = 0.3140 0.1813 0.1282 ( 5168 PWs) bands (ev): -47.0221 -47.0221 -23.7309 -23.7309 -23.0790 -23.0790 -23.0766 -23.0766 -11.5012 -11.5012 -11.5012 -11.4982 -10.4805 -10.4805 -10.4615 -10.4615 -10.4596 -10.4563 2.0893 2.0893 6.6821 6.6821 8.0262 8.0262 8.1165 8.1335 9.0154 9.0154 9.0770 9.1203 9.1459 9.1459 9.9756 9.9756 10.0311 10.0429 11.2749 11.2773 11.2773 11.2962 12.0164 12.0164 k = 0.3256 0.1880 0.1329 ( 5159 PWs) bands (ev): -47.0221 -47.0221 -23.7310 -23.7310 -23.0791 -23.0791 -23.0766 -23.0766 -11.5012 -11.5012 -11.5011 -11.4983 -10.4805 -10.4805 -10.4615 -10.4615 -10.4594 -10.4562 2.1464 2.1464 6.5869 6.5869 8.0163 8.0163 8.1076 8.1238 9.0167 9.0167 9.0744 9.1151 9.1415 9.1415 10.0209 10.0209 10.0753 10.0854 11.2658 11.2673 11.2673 11.2872 11.9308 11.9308 k = 0.3372 0.1947 0.1377 ( 5159 PWs) bands (ev): -47.0221 -47.0221 -23.7310 -23.7310 -23.0792 -23.0792 -23.0766 -23.0766 -11.5013 -11.5013 -11.5010 -11.4983 -10.4805 -10.4805 -10.4616 -10.4616 -10.4593 -10.4562 2.2034 2.2034 6.4937 6.4937 8.0071 8.0071 8.0994 8.1147 9.0187 9.0187 9.0717 9.1098 9.1371 9.1371 10.0657 10.0657 10.1188 10.1273 11.2575 11.2578 11.2578 11.2788 11.8485 11.8485 k = 0.3488 0.2014 0.1424 ( 5159 PWs) bands (ev): -47.0221 -47.0221 -23.7311 -23.7311 -23.0793 -23.0793 -23.0766 -23.0766 -11.5013 -11.5013 -11.5009 -11.4983 -10.4805 -10.4805 -10.4616 -10.4616 -10.4591 -10.4562 2.2599 2.2599 6.4029 6.4029 7.9986 7.9986 8.0919 8.1063 9.0214 9.0214 9.0690 9.1045 9.1328 9.1328 10.1097 10.1097 10.1612 10.1682 11.2488 11.2488 11.2499 11.2711 11.7699 11.7699 k = 0.3605 0.2081 0.1472 ( 5165 PWs) bands (ev): -47.0220 -47.0220 -23.7311 -23.7311 -23.0794 -23.0794 -23.0767 -23.0766 -11.5013 -11.5013 -11.5008 -11.4984 -10.4806 -10.4806 -10.4617 -10.4617 -10.4589 -10.4561 2.3157 2.3157 6.3151 6.3151 7.9908 7.9908 8.0850 8.0985 9.0245 9.0245 9.0662 9.0992 9.1286 9.1286 10.1526 10.1526 10.2024 10.2080 11.2403 11.2403 11.2431 11.2639 11.6955 11.6955 k = 0.3721 0.2148 0.1519 ( 5180 PWs) bands (ev): -47.0220 -47.0220 -23.7312 -23.7312 -23.0795 -23.0795 -23.0767 -23.0766 -11.5014 -11.5014 -11.5007 -11.4984 -10.4806 -10.4806 -10.4617 -10.4617 -10.4587 -10.4561 2.3702 2.3702 6.2308 6.2308 7.9837 7.9837 8.0788 8.0913 9.0280 9.0280 9.0636 9.0939 9.1247 9.1247 10.1941 10.1941 10.2419 10.2462 11.2325 11.2325 11.2371 11.2574 11.6255 11.6255 k = 0.3837 0.2215 0.1567 ( 5177 PWs) bands (ev): -47.0220 -47.0220 -23.7312 -23.7312 -23.0796 -23.0796 -23.0767 -23.0766 -11.5014 -11.5014 -11.5006 -11.4985 -10.4806 -10.4806 -10.4617 -10.4617 -10.4585 -10.4561 2.4230 2.4230 6.1505 6.1505 7.9772 7.9772 8.0732 8.0847 9.0316 9.0316 9.0611 9.0887 9.1212 9.1212 10.2338 10.2338 10.2795 10.2826 11.2252 11.2252 11.2319 11.2516 11.5604 11.5604 k = 0.3953 0.2283 0.1614 ( 5177 PWs) bands (ev): -47.0220 -47.0220 -23.7313 -23.7313 -23.0797 -23.0797 -23.0767 -23.0767 -11.5014 -11.5014 -11.5005 -11.4986 -10.4806 -10.4806 -10.4618 -10.4618 -10.4583 -10.4561 2.4735 2.4735 6.0749 6.0749 7.9714 7.9714 8.0683 8.0787 9.0353 9.0353 9.0588 9.0838 9.1181 9.1181 10.2714 10.2714 10.3148 10.3169 11.2185 11.2185 11.2276 11.2464 11.5004 11.5004 k = 0.4070 0.2350 0.1661 ( 5183 PWs) bands (ev): -47.0220 -47.0220 -23.7313 -23.7313 -23.0798 -23.0798 -23.0767 -23.0767 -11.5015 -11.5015 -11.5004 -11.4987 -10.4806 -10.4806 -10.4618 -10.4618 -10.4582 -10.4562 2.5212 2.5212 6.0045 6.0045 7.9663 7.9663 8.0640 8.0733 9.0389 9.0389 9.0568 9.0790 9.1154 9.1154 10.3065 10.3065 10.3475 10.3487 11.2123 11.2123 11.2241 11.2418 11.4459 11.4459 k = 0.4186 0.2417 0.1709 ( 5180 PWs) bands (ev): -47.0220 -47.0220 -23.7313 -23.7313 -23.0798 -23.0798 -23.0767 -23.0767 -11.5015 -11.5015 -11.5003 -11.4987 -10.4807 -10.4807 -10.4619 -10.4619 -10.4580 -10.4562 2.5654 2.5654 5.9402 5.9402 7.9617 7.9617 8.0603 8.0685 9.0423 9.0423 9.0550 9.0746 9.1134 9.1134 10.3388 10.3388 10.3773 10.3778 11.2067 11.2067 11.2214 11.2378 11.3971 11.3971 k = 0.4302 0.2484 0.1756 ( 5174 PWs) bands (ev): -47.0220 -47.0220 -23.7314 -23.7314 -23.0799 -23.0799 -23.0767 -23.0767 -11.5015 -11.5015 -11.5002 -11.4988 -10.4807 -10.4807 -10.4619 -10.4619 -10.4578 -10.4563 2.6055 2.6055 5.8826 5.8826 7.9578 7.9578 8.0572 8.0643 9.0452 9.0452 9.0536 9.0704 9.1118 9.1118 10.3678 10.3678 10.4038 10.4038 11.2017 11.2017 11.2196 11.2342 11.3544 11.3544 k = 0.4419 0.2551 0.1804 ( 5180 PWs) bands (ev): -47.0220 -47.0220 -23.7314 -23.7314 -23.0800 -23.0800 -23.0767 -23.0767 -11.5015 -11.5015 -11.5001 -11.4989 -10.4807 -10.4807 -10.4619 -10.4619 -10.4576 -10.4563 2.6409 2.6409 5.8323 5.8323 7.9545 7.9545 8.0547 8.0607 9.0476 9.0476 9.0526 9.0666 9.1108 9.1108 10.3931 10.3931 10.4264 10.4268 11.1970 11.1970 11.2184 11.2312 11.3181 11.3181 k = 0.4535 0.2618 0.1851 ( 5174 PWs) bands (ev): -47.0220 -47.0220 -23.7314 -23.7314 -23.0800 -23.0800 -23.0767 -23.0767 -11.5016 -11.5016 -11.4999 -11.4990 -10.4807 -10.4807 -10.4619 -10.4619 -10.4575 -10.4564 2.6709 2.6709 5.7901 5.7901 7.9519 7.9519 8.0528 8.0576 9.0495 9.0495 9.0520 9.0632 9.1103 9.1103 10.4144 10.4144 10.4453 10.4459 11.1928 11.1928 11.2179 11.2285 11.2885 11.2885 k = 0.4651 0.2685 0.1899 ( 5174 PWs) bands (ev): -47.0220 -47.0220 -23.7314 -23.7314 -23.0800 -23.0800 -23.0767 -23.0767 -11.5016 -11.5016 -11.4998 -11.4991 -10.4807 -10.4807 -10.4619 -10.4619 -10.4573 -10.4565 2.6949 2.6949 5.7565 5.7565 7.9498 7.9498 8.0514 8.0550 9.0509 9.0509 9.0518 9.0602 9.1100 9.1100 10.4314 10.4314 10.4604 10.4610 11.1891 11.1891 11.2179 11.2261 11.2658 11.2658 k = 0.4767 0.2752 0.1946 ( 5168 PWs) bands (ev): -47.0220 -47.0220 -23.7314 -23.7314 -23.0801 -23.0801 -23.0767 -23.0767 -11.5016 -11.5016 -11.4997 -11.4992 -10.4807 -10.4807 -10.4620 -10.4620 -10.4571 -10.4566 2.7125 2.7125 5.7321 5.7321 7.9483 7.9483 8.0506 8.0530 9.0518 9.0518 9.0520 9.0577 9.1100 9.1100 10.4438 10.4438 10.4713 10.4718 11.1858 11.1858 11.2185 11.2241 11.2499 11.2499 k = 0.4884 0.2820 0.1994 ( 5168 PWs) bands (ev): -47.0220 -47.0220 -23.7314 -23.7314 -23.0801 -23.0801 -23.0767 -23.0767 -11.5016 -11.5016 -11.4996 -11.4994 -10.4807 -10.4807 -10.4620 -10.4620 -10.4570 -10.4567 2.7232 2.7232 5.7173 5.7173 7.9474 7.9474 8.0504 8.0516 9.0523 9.0523 9.0527 9.0555 9.1100 9.1100 10.4513 10.4513 10.4780 10.4783 11.1835 11.1835 11.2194 11.2223 11.2407 11.2407 k = 0.5000 0.2887 0.2041 ( 5168 PWs) bands (ev): -47.0220 -47.0220 -23.7314 -23.7314 -23.0801 -23.0801 -23.0767 -23.0767 -11.5016 -11.5016 -11.4995 -11.4995 -10.4807 -10.4807 -10.4620 -10.4620 -10.4569 -10.4569 2.7268 2.7268 5.7123 5.7123 7.9471 7.9471 8.0507 8.0507 9.0525 9.0525 9.0539 9.0539 9.1101 9.1101 10.4538 10.4538 10.4804 10.4804 11.1826 11.1826 11.2207 11.2207 11.2378 11.2378 k = 0.5000 0.2887 0.2041 ( 5168 PWs) bands (ev): -47.0220 -47.0220 -23.7314 -23.7314 -23.0801 -23.0801 -23.0767 -23.0767 -11.5016 -11.5016 -11.4995 -11.4995 -10.4807 -10.4807 -10.4620 -10.4620 -10.4569 -10.4569 2.7268 2.7268 5.7123 5.7123 7.9471 7.9471 8.0507 8.0507 9.0525 9.0525 9.0539 9.0539 9.1101 9.1101 10.4538 10.4538 10.4804 10.4804 11.1826 11.1826 11.2207 11.2207 11.2378 11.2378 k = 0.5040 0.2770 0.2107 ( 5168 PWs) bands (ev): -47.0220 -47.0220 -23.7315 -23.7314 -23.0801 -23.0801 -23.0767 -23.0767 -11.5016 -11.5016 -11.4995 -11.4995 -10.4807 -10.4807 -10.4620 -10.4619 -10.4569 -10.4569 2.7273 2.7277 5.7132 5.7143 7.9459 7.9475 8.0504 8.0504 9.0510 9.0528 9.0546 9.0549 9.1091 9.1112 10.4526 10.4528 10.4793 10.4793 11.1798 11.1832 11.2197 11.2197 11.2352 11.2385 k = 0.5081 0.2654 0.2173 ( 5177 PWs) bands (ev): -47.0220 -47.0220 -23.7315 -23.7314 -23.0801 -23.0801 -23.0767 -23.0767 -11.5017 -11.5016 -11.4994 -11.4994 -10.4808 -10.4807 -10.4621 -10.4619 -10.4569 -10.4569 2.7292 2.7300 5.7169 5.7192 7.9439 7.9471 8.0494 8.0496 9.0492 9.0527 9.0560 9.0565 9.1085 9.1124 10.4488 10.4493 10.4764 10.4764 11.1747 11.1811 11.2162 11.2165 11.2313 11.2377 k = 0.5121 0.2538 0.2239 ( 5171 PWs) bands (ev): -47.0220 -47.0220 -23.7315 -23.7314 -23.0801 -23.0801 -23.0767 -23.0767 -11.5017 -11.5016 -11.4994 -11.4994 -10.4808 -10.4807 -10.4621 -10.4618 -10.4569 -10.4569 2.7326 2.7337 5.7234 5.7269 7.9405 7.9456 8.0480 8.0485 9.0473 9.0529 9.0579 9.0582 9.1082 9.1137 10.4417 10.4425 10.4726 10.4727 11.1672 11.1755 11.2102 11.2106 11.2277 11.2358 k = 0.5161 0.2421 0.2305 ( 5171 PWs) bands (ev): -47.0220 -47.0220 -23.7315 -23.7315 -23.0801 -23.0801 -23.0768 -23.0768 -11.5018 -11.5016 -11.4994 -11.4994 -10.4808 -10.4807 -10.4622 -10.4618 -10.4569 -10.4568 2.7373 2.7389 5.7328 5.7375 7.9356 7.9427 8.0465 8.0476 9.0453 9.0530 9.0600 9.0604 9.1085 9.1152 10.4302 10.4314 10.4688 10.4691 11.1567 11.1654 11.2018 11.2020 11.2252 11.2333 k = 0.5202 0.2305 0.2370 ( 5169 PWs) bands (ev): -47.0220 -47.0220 -23.7315 -23.7315 -23.0801 -23.0801 -23.0768 -23.0768 -11.5019 -11.5016 -11.4994 -11.4993 -10.4808 -10.4806 -10.4622 -10.4617 -10.4569 -10.4568 2.7434 2.7453 5.7450 5.7509 7.9285 7.9378 8.0454 8.0475 9.0431 9.0527 9.0621 9.0633 9.1095 9.1167 10.4141 10.4160 10.4653 10.4659 11.1424 11.1503 11.1916 11.1916 11.2239 11.2305 k = 0.5242 0.2188 0.2436 ( 5167 PWs) bands (ev): -47.0220 -47.0220 -23.7315 -23.7315 -23.0801 -23.0800 -23.0768 -23.0768 -11.5020 -11.5017 -11.4993 -11.4993 -10.4809 -10.4806 -10.4623 -10.4617 -10.4569 -10.4568 2.7509 2.7532 5.7601 5.7671 7.9187 7.9304 8.0454 8.0484 9.0408 9.0516 9.0647 9.0667 9.1112 9.1183 10.3937 10.3966 10.4620 10.4628 11.1236 11.1301 11.1800 11.1802 11.2232 11.2277 k = 0.5282 0.2072 0.2502 ( 5169 PWs) bands (ev): -47.0220 -47.0220 -23.7315 -23.7315 -23.0800 -23.0800 -23.0769 -23.0769 -11.5020 -11.5017 -11.4993 -11.4992 -10.4809 -10.4806 -10.4624 -10.4617 -10.4569 -10.4568 2.7596 2.7623 5.7779 5.7862 7.9061 7.9200 8.0468 8.0508 9.0381 9.0495 9.0680 9.0706 9.1139 9.1201 10.3692 10.3735 10.4587 10.4597 11.1000 11.1052 11.1675 11.1683 11.2230 11.2249 k = 0.5323 0.1956 0.2568 ( 5173 PWs) bands (ev): -47.0220 -47.0220 -23.7315 -23.7315 -23.0800 -23.0800 -23.0769 -23.0769 -11.5021 -11.5018 -11.4993 -11.4992 -10.4809 -10.4806 -10.4624 -10.4616 -10.4569 -10.4568 2.7696 2.7727 5.7986 5.8081 7.8904 7.9063 8.0498 8.0548 9.0350 9.0462 9.0719 9.0748 9.1175 9.1220 10.3410 10.3471 10.4552 10.4563 11.0719 11.0763 11.1541 11.1557 11.2222 11.2231 k = 0.5363 0.1839 0.2634 ( 5171 PWs) bands (ev): -47.0220 -47.0220 -23.7316 -23.7315 -23.0800 -23.0800 -23.0770 -23.0770 -11.5022 -11.5019 -11.4993 -11.4991 -10.4809 -10.4807 -10.4625 -10.4616 -10.4569 -10.4568 2.7808 2.7842 5.8220 5.8328 7.8717 7.8893 8.0546 8.0603 9.0314 9.0418 9.0765 9.0795 9.1219 9.1241 10.3092 10.3176 10.4514 10.4527 11.0397 11.0440 11.1397 11.1425 11.2196 11.2234 k = 0.5403 0.1723 0.2700 ( 5177 PWs) bands (ev): -47.0220 -47.0220 -23.7316 -23.7315 -23.0800 -23.0800 -23.0770 -23.0770 -11.5023 -11.5019 -11.4992 -11.4990 -10.4810 -10.4807 -10.4626 -10.4615 -10.4570 -10.4568 2.7931 2.7969 5.8482 5.8603 7.8499 7.8690 8.0609 8.0673 9.0272 9.0362 9.0818 9.0846 9.1264 9.1271 10.2740 10.2853 10.4472 10.4487 11.0041 11.0088 11.1244 11.1286 11.2172 11.2237 k = 0.5444 0.1606 0.2766 ( 5177 PWs) bands (ev): -47.0220 -47.0220 -23.7316 -23.7315 -23.0800 -23.0800 -23.0771 -23.0771 -11.5024 -11.5020 -11.4992 -11.4990 -10.4810 -10.4807 -10.4627 -10.4615 -10.4570 -10.4568 2.8065 2.8106 5.8771 5.8906 7.8253 7.8457 8.0688 8.0757 9.0222 9.0295 9.0876 9.0900 9.1289 9.1329 10.2358 10.2504 10.4426 10.4444 10.9657 10.9713 11.1083 11.1140 11.2150 11.2242 k = 0.5484 0.1490 0.2831 ( 5174 PWs) bands (ev): -47.0220 -47.0220 -23.7316 -23.7316 -23.0800 -23.0800 -23.0772 -23.0771 -11.5025 -11.5021 -11.4992 -11.4989 -10.4810 -10.4807 -10.4628 -10.4614 -10.4571 -10.4567 2.8208 2.8253 5.9087 5.9236 7.7978 7.8193 8.0780 8.0853 9.0162 9.0215 9.0940 9.0956 9.1317 9.1394 10.1947 10.2133 10.4376 10.4395 10.9251 10.9323 11.0917 11.0989 11.2130 11.2246 k = 0.5524 0.1374 0.2897 ( 5174 PWs) bands (ev): -47.0220 -47.0220 -23.7316 -23.7316 -23.0800 -23.0799 -23.0772 -23.0772 -11.5026 -11.5022 -11.4992 -11.4988 -10.4810 -10.4807 -10.4629 -10.4614 -10.4571 -10.4567 2.8361 2.8409 5.9430 5.9593 7.7676 7.7902 8.0883 8.0960 9.0091 9.0123 9.1010 9.1015 9.1347 9.1463 10.1511 10.1742 10.4321 10.4343 10.8833 10.8924 11.0746 11.0833 11.2111 11.2251 k = 0.5565 0.1257 0.2963 ( 5174 PWs) bands (ev): -47.0220 -47.0220 -23.7317 -23.7316 -23.0800 -23.0799 -23.0773 -23.0773 -11.5026 -11.5022 -11.4992 -11.4987 -10.4811 -10.4807 -10.4629 -10.4613 -10.4572 -10.4567 2.8521 2.8573 5.9799 5.9977 7.7348 7.7583 8.0997 8.1078 9.0008 9.0018 9.1076 9.1084 9.1380 9.1537 10.1053 10.1334 10.4261 10.4285 10.8408 10.8523 11.0572 11.0674 11.2093 11.2255 k = 0.5605 0.1141 0.3029 ( 5171 PWs) bands (ev): -47.0220 -47.0219 -23.7317 -23.7316 -23.0799 -23.0799 -23.0774 -23.0774 -11.5027 -11.5023 -11.4992 -11.4987 -10.4811 -10.4808 -10.4630 -10.4613 -10.4572 -10.4566 2.8688 2.8743 6.0193 6.0387 7.6994 7.7238 8.1122 8.1205 8.9899 8.9910 9.1137 9.1161 9.1415 9.1614 10.0580 10.0915 10.4195 10.4222 10.7984 10.8124 11.0397 11.0513 11.2076 11.2259 k = 0.5645 0.1024 0.3095 ( 5167 PWs) bands (ev): -47.0220 -47.0219 -23.7317 -23.7316 -23.0799 -23.0799 -23.0774 -23.0774 -11.5028 -11.5024 -11.4992 -11.4986 -10.4811 -10.4808 -10.4631 -10.4612 -10.4573 -10.4566 2.8860 2.8919 6.0613 6.0824 7.6616 7.6868 8.1255 8.1341 8.9765 8.9796 9.1199 9.1242 9.1453 9.1694 10.0096 10.0488 10.4125 10.4153 10.7568 10.7735 11.0223 11.0354 11.2059 11.2262 k = 0.5685 0.0908 0.3161 ( 5167 PWs) bands (ev): -47.0219 -47.0219 -23.7317 -23.7317 -23.0799 -23.0799 -23.0775 -23.0775 -11.5028 -11.5025 -11.4992 -11.4985 -10.4812 -10.4808 -10.4632 -10.4611 -10.4573 -10.4566 2.9037 2.9099 6.1057 6.1286 7.6214 7.6475 8.1396 8.1485 8.9616 8.9664 9.1261 9.1326 9.1494 9.1775 9.9609 10.0060 10.4049 10.4079 10.7164 10.7358 11.0052 11.0196 11.2041 11.2263 k = 0.5726 0.0792 0.3226 ( 5175 PWs) bands (ev): -47.0219 -47.0219 -23.7318 -23.7317 -23.0799 -23.0799 -23.0776 -23.0776 -11.5029 -11.5026 -11.4992 -11.4985 -10.4812 -10.4809 -10.4633 -10.4610 -10.4574 -10.4566 2.9217 2.9281 6.1525 6.1773 7.5790 7.6060 8.1545 8.1637 8.9451 8.9514 9.1321 9.1410 9.1538 9.1858 9.9125 9.9636 10.3966 10.3998 10.6778 10.6997 10.9885 11.0042 11.2023 11.2262 k = 0.5766 0.0675 0.3292 ( 5177 PWs) bands (ev): -47.0219 -47.0219 -23.7318 -23.7317 -23.0799 -23.0799 -23.0776 -23.0776 -11.5030 -11.5026 -11.4992 -11.4984 -10.4812 -10.4809 -10.4633 -10.4610 -10.4575 -10.4565 2.9398 2.9465 6.2016 6.2284 7.5344 7.5624 8.1701 8.1795 8.9271 8.9346 9.1379 9.1495 9.1583 9.1940 9.8651 9.9221 10.3878 10.3912 10.6413 10.6653 10.9726 10.9895 11.2004 11.2259 k = 0.5806 0.0559 0.3358 ( 5176 PWs) bands (ev): -47.0219 -47.0219 -23.7318 -23.7317 -23.0799 -23.0799 -23.0777 -23.0777 -11.5030 -11.5027 -11.4993 -11.4984 -10.4813 -10.4810 -10.4634 -10.4609 -10.4576 -10.4565 2.9579 2.9649 6.2527 6.2818 7.4879 7.5170 8.1863 8.1960 8.9076 8.9160 9.1435 9.1580 9.1631 9.2021 9.8195 9.8823 10.3784 10.3818 10.6070 10.6330 10.9574 10.9755 11.1984 11.2254 k = 0.5847 0.0442 0.3424 ( 5175 PWs) bands (ev): -47.0219 -47.0219 -23.7318 -23.7318 -23.0799 -23.0799 -23.0778 -23.0777 -11.5030 -11.5028 -11.4993 -11.4983 -10.4813 -10.4810 -10.4635 -10.4608 -10.4576 -10.4565 2.9758 2.9830 6.3058 6.3375 7.4396 7.4700 8.2031 8.2130 8.8867 8.8957 9.1488 9.1662 9.1679 9.2101 9.7763 9.8445 10.3683 10.3717 10.5751 10.6026 10.9433 10.9624 11.1963 11.2245 k = 0.5887 0.0326 0.3490 ( 5183 PWs) bands (ev): -47.0219 -47.0219 -23.7319 -23.7318 -23.0799 -23.0799 -23.0778 -23.0778 -11.5031 -11.5028 -11.4993 -11.4983 -10.4813 -10.4811 -10.4635 -10.4607 -10.4577 -10.4565 2.9933 3.0008 6.3606 6.3952 7.3898 7.4219 8.2204 8.2306 8.8647 8.8741 9.1537 9.1727 9.1740 9.2178 9.7359 9.8090 10.3574 10.3609 10.5457 10.5741 10.9304 10.9504 11.1940 11.2233 k = 0.5927 0.0210 0.3556 ( 5171 PWs) bands (ev): -47.0219 -47.0219 -23.7319 -23.7318 -23.0799 -23.0799 -23.0779 -23.0778 -11.5031 -11.5029 -11.4994 -11.4982 -10.4813 -10.4811 -10.4636 -10.4606 -10.4578 -10.4564 3.0103 3.0179 6.4168 6.4548 7.3388 7.3731 8.2382 8.2486 8.8418 8.8514 9.1584 9.1774 9.1815 9.2251 9.6987 9.7762 10.3459 10.3493 10.5186 10.5477 10.9188 10.9397 11.1916 11.2217 k = 0.5968 0.0093 0.3622 ( 5173 PWs) bands (ev): -47.0219 -47.0219 -23.7319 -23.7318 -23.0799 -23.0799 -23.0779 -23.0779 -11.5031 -11.5029 -11.4994 -11.4982 -10.4814 -10.4812 -10.4636 -10.4606 -10.4579 -10.4564 3.0264 3.0342 6.4740 6.5160 7.2870 7.3241 8.2565 8.2671 8.8185 8.8280 9.1627 9.1818 9.1883 9.2320 9.6648 9.7462 10.3335 10.3369 10.4939 10.5231 10.9087 10.9303 11.1890 11.2199 k = 0.6008-0.0023 0.3687 ( 5177 PWs) bands (ev): -47.0219 -47.0219 -23.7319 -23.7318 -23.0799 -23.0799 -23.0779 -23.0779 -11.5031 -11.5030 -11.4995 -11.4982 -10.4814 -10.4812 -10.4636 -10.4605 -10.4579 -10.4564 3.0416 3.0495 6.5313 6.5784 7.2351 7.2760 8.2751 8.2859 8.7951 8.8045 9.1668 9.1858 9.1944 9.2384 9.6345 9.7188 10.3203 10.3235 10.4713 10.5003 10.9002 10.9225 11.1865 11.2178 k = 0.6048-0.0140 0.3753 ( 5175 PWs) bands (ev): -47.0219 -47.0219 -23.7319 -23.7319 -23.0799 -23.0799 -23.0780 -23.0779 -11.5031 -11.5030 -11.4996 -11.4981 -10.4814 -10.4813 -10.4637 -10.4604 -10.4580 -10.4564 3.0555 3.0635 6.5879 6.6412 7.1840 7.2301 8.2941 8.3050 8.7722 8.7814 9.1705 9.1894 9.1996 9.2440 9.6076 9.6939 10.3061 10.3091 10.4508 10.4791 10.8935 10.9163 11.1841 11.2155 k = 0.6089-0.0256 0.3819 ( 5175 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7319 -23.0800 -23.0800 -23.0780 -23.0779 -11.5031 -11.5031 -11.4996 -11.4981 -10.4815 -10.4813 -10.4637 -10.4603 -10.4580 -10.4564 3.0679 3.0760 6.6418 6.7032 7.1353 7.1883 8.3133 8.3244 8.7503 8.7591 9.1739 9.1924 9.2039 9.2490 9.5841 9.6714 10.2909 10.2937 10.4321 10.4596 10.8886 10.9118 11.1820 11.2132 k = 0.6129-0.0372 0.3885 ( 5169 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7319 -23.0800 -23.0800 -23.0780 -23.0779 -11.5031 -11.5031 -11.4997 -11.4981 -10.4815 -10.4814 -10.4637 -10.4603 -10.4581 -10.4565 3.0787 3.0868 6.6901 6.7615 7.0922 7.1541 8.3328 8.3440 8.7297 8.7383 9.1770 9.1948 9.2072 9.2531 9.5636 9.6510 10.2745 10.2772 10.4151 10.4415 10.8857 10.9091 11.1802 11.2110 k = 0.6169-0.0489 0.3951 ( 5169 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7319 -23.0800 -23.0800 -23.0780 -23.0779 -11.5031 -11.5030 -11.4998 -11.4981 -10.4815 -10.4814 -10.4637 -10.4602 -10.4581 -10.4565 3.0875 3.0956 6.7279 6.8090 7.0618 7.1325 8.3524 8.3638 8.7110 8.7194 9.1798 9.1964 9.2094 9.2564 9.5460 9.6325 10.2568 10.2594 10.3995 10.4247 10.8849 10.9083 11.1791 11.2093 k = 0.6210-0.0605 0.4017 ( 5182 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7319 -23.0800 -23.0800 -23.0780 -23.0779 -11.5032 -11.5030 -11.4999 -11.4981 -10.4815 -10.4814 -10.4636 -10.4602 -10.4582 -10.4565 3.0941 3.1021 6.7495 6.8321 7.0582 7.1297 8.3722 8.3836 8.6945 8.7028 9.1822 9.1974 9.2105 9.2588 9.5310 9.6155 10.2376 10.2404 10.3852 10.4091 10.8861 10.9095 11.1789 11.2081 k = 0.6250-0.0722 0.4082 ( 5174 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7319 -23.0801 -23.0801 -23.0780 -23.0779 -11.5032 -11.5030 -11.4999 -11.4981 -10.4816 -10.4815 -10.4636 -10.4602 -10.4582 -10.4565 3.0982 3.1062 6.7515 6.8229 7.0894 7.1491 8.3921 8.4036 8.6807 8.6889 9.1842 9.1977 9.2106 9.2603 9.5181 9.5998 10.2170 10.2198 10.3720 10.3946 10.8894 10.9125 11.1798 11.2079 k = 0.6250-0.0722 0.4082 ( 5174 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7319 -23.0801 -23.0801 -23.0780 -23.0779 -11.5032 -11.5030 -11.4999 -11.4981 -10.4816 -10.4815 -10.4636 -10.4602 -10.4582 -10.4565 3.0982 3.1062 6.7515 6.8229 7.0894 7.1491 8.3921 8.4036 8.6807 8.6889 9.1842 9.1977 9.2106 9.2603 9.5181 9.5998 10.2170 10.2198 10.3720 10.3946 10.8894 10.9125 11.1798 11.2079 k = 0.6181-0.0682 0.4196 ( 5180 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7319 -23.0801 -23.0801 -23.0780 -23.0779 -11.5032 -11.5030 -11.4999 -11.4980 -10.4816 -10.4815 -10.4636 -10.4601 -10.4582 -10.4565 3.0985 3.1065 6.7529 6.8242 7.0904 7.1499 8.3859 8.3971 8.6842 8.6924 9.1836 9.1973 9.2113 9.2609 9.5177 9.5993 10.2020 10.2094 10.3832 10.4067 10.8891 10.9129 11.1805 11.2084 k = 0.6111-0.0642 0.4309 ( 5176 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7319 -23.0801 -23.0801 -23.0780 -23.0779 -11.5032 -11.5029 -11.5000 -11.4980 -10.4816 -10.4815 -10.4636 -10.4601 -10.4582 -10.4565 3.0994 3.1074 6.7571 6.8280 7.0932 7.1524 8.3679 8.3787 8.6937 8.7022 9.1819 9.1963 9.2134 9.2627 9.5162 9.5976 10.1698 10.1799 10.4100 10.4348 10.8884 10.9139 11.1826 11.2101 k = 0.6042-0.0601 0.4423 ( 5171 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7319 -23.0800 -23.0800 -23.0780 -23.0779 -11.5033 -11.5029 -11.5000 -11.4980 -10.4816 -10.4815 -10.4637 -10.4601 -10.4582 -10.4565 3.1008 3.1089 6.7640 6.8344 7.0980 7.1565 8.3395 8.3507 8.7070 8.7168 9.1796 9.1947 9.2165 9.2656 9.5136 9.5946 10.1312 10.1414 10.4429 10.4688 10.8874 10.9155 11.1861 11.2128 k = 0.5972-0.0561 0.4536 ( 5167 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7319 -23.0800 -23.0800 -23.0780 -23.0780 -11.5033 -11.5028 -11.5001 -11.4979 -10.4816 -10.4815 -10.4637 -10.4601 -10.4582 -10.4565 3.1028 3.1109 6.7736 6.8433 7.1046 7.1623 8.3026 8.3150 8.7225 8.7341 9.1771 9.1930 9.2200 9.2691 9.5099 9.5902 10.0909 10.0999 10.4768 10.5035 10.8862 10.9174 11.1910 11.2168 k = 0.5903-0.0521 0.4649 ( 5170 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7319 -23.0800 -23.0800 -23.0780 -23.0780 -11.5033 -11.5028 -11.5002 -11.4978 -10.4816 -10.4815 -10.4637 -10.4600 -10.4583 -10.4565 3.1053 3.1135 6.7859 6.8547 7.1131 7.1696 8.2588 8.2731 8.7387 8.7525 9.1747 9.1912 9.2239 9.2732 9.5047 9.5841 10.0514 10.0583 10.5095 10.5368 10.8850 10.9197 11.1973 11.2220 k = 0.5833-0.0481 0.4763 ( 5172 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7319 -23.0800 -23.0800 -23.0781 -23.0780 -11.5034 -11.5027 -11.5003 -11.4978 -10.4815 -10.4815 -10.4638 -10.4600 -10.4583 -10.4565 3.1083 3.1165 6.8009 6.8685 7.1233 7.1785 8.2094 8.2258 8.7551 8.7709 9.1725 9.1896 9.2281 9.2775 9.4980 9.5761 10.0143 10.0185 10.5400 10.5676 10.8839 10.9222 11.2052 11.2286 k = 0.5764-0.0441 0.4876 ( 5170 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7319 -23.0800 -23.0800 -23.0781 -23.0780 -11.5034 -11.5026 -11.5004 -11.4977 -10.4815 -10.4815 -10.4638 -10.4599 -10.4583 -10.4564 3.1117 3.1200 6.8184 6.8846 7.1354 7.1889 8.1553 8.1739 8.7710 8.7885 9.1707 9.1884 9.2323 9.2820 9.4897 9.5660 9.9808 9.9817 10.5677 10.5954 10.8831 10.9249 11.2145 11.2365 k = 0.5694-0.0401 0.4990 ( 5172 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7319 -23.0800 -23.0800 -23.0781 -23.0780 -11.5034 -11.5026 -11.5006 -11.4976 -10.4815 -10.4815 -10.4639 -10.4599 -10.4584 -10.4564 3.1154 3.1238 6.8385 6.9029 7.1492 7.2007 8.0972 8.1178 8.7862 8.8049 9.1694 9.1876 9.2366 9.2864 9.4796 9.5537 9.9487 9.9515 10.5926 10.6197 10.8826 10.9276 11.2252 11.2459 k = 0.5625-0.0361 0.5103 ( 5166 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7319 -23.0800 -23.0800 -23.0782 -23.0781 -11.5034 -11.5025 -11.5007 -11.4975 -10.4815 -10.4815 -10.4639 -10.4598 -10.4584 -10.4564 3.1193 3.1279 6.8610 6.9234 7.1645 7.2138 8.0359 8.0582 8.8003 8.8197 9.1686 9.1874 9.2409 9.2908 9.4679 9.5394 9.9201 9.9269 10.6144 10.6405 10.8824 10.9304 11.2372 11.2567 k = 0.5556-0.0321 0.5217 ( 5166 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7319 -23.0799 -23.0799 -23.0782 -23.0781 -11.5035 -11.5024 -11.5008 -11.4975 -10.4815 -10.4815 -10.4640 -10.4598 -10.4585 -10.4564 3.1235 3.1321 6.8858 6.9460 7.1812 7.2279 7.9722 7.9958 8.8131 8.8326 9.1685 9.1876 9.2453 9.2951 9.4549 9.5235 9.8962 9.9069 10.6333 10.6577 10.8826 10.9332 11.2505 11.2689 k = 0.5486-0.0281 0.5330 ( 5168 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7320 -23.0799 -23.0799 -23.0782 -23.0781 -11.5035 -11.5024 -11.5009 -11.4974 -10.4815 -10.4815 -10.4640 -10.4597 -10.4586 -10.4564 3.1276 3.1364 6.9127 6.9704 7.1989 7.2428 7.9068 7.9316 8.8246 8.8435 9.1690 9.1884 9.2497 9.2992 9.4411 9.5067 9.8769 9.8912 10.6495 10.6716 10.8832 10.9358 11.2648 11.2823 k = 0.5417-0.0241 0.5443 ( 5166 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7320 -23.0799 -23.0799 -23.0782 -23.0781 -11.5035 -11.5023 -11.5010 -11.4974 -10.4815 -10.4815 -10.4641 -10.4596 -10.4586 -10.4563 3.1317 3.1406 6.9414 6.9964 7.2171 7.2581 7.8410 7.8666 8.8346 8.8523 9.1700 9.1895 9.2541 9.3033 9.4273 9.4897 9.8618 9.8792 10.6630 10.6824 10.8839 10.9383 11.2800 11.2968 k = 0.5347-0.0200 0.5557 ( 5162 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7320 -23.0799 -23.0799 -23.0783 -23.0782 -11.5035 -11.5023 -11.5011 -11.4973 -10.4815 -10.4815 -10.4641 -10.4596 -10.4587 -10.4563 3.1356 3.1446 6.9718 7.0239 7.2350 7.2729 7.7763 7.8023 8.8431 8.8590 9.1714 9.1909 9.2584 9.3073 9.4139 9.4734 9.8505 9.8705 10.6742 10.6904 10.8849 10.9406 11.2955 11.3120 k = 0.5278-0.0160 0.5670 ( 5172 PWs) bands (ev): -47.0219 -47.0219 -23.7321 -23.7320 -23.0799 -23.0799 -23.0783 -23.0782 -11.5035 -11.5022 -11.5011 -11.4973 -10.4815 -10.4814 -10.4641 -10.4595 -10.4588 -10.4563 3.1392 3.1482 7.0030 7.0525 7.2511 7.2861 7.7150 7.7409 8.8501 8.8637 9.1730 9.1924 9.2625 9.3112 9.4018 9.4586 9.8423 9.8644 10.6832 10.6960 10.8858 10.9426 11.3111 11.3274 k = 0.5208-0.0120 0.5784 ( 5172 PWs) bands (ev): -47.0219 -47.0219 -23.7321 -23.7320 -23.0799 -23.0798 -23.0783 -23.0782 -11.5035 -11.5022 -11.5012 -11.4973 -10.4815 -10.4814 -10.4642 -10.4594 -10.4588 -10.4563 3.1423 3.1514 7.0343 7.0816 7.2632 7.2957 7.6605 7.6858 8.8555 8.8665 9.1747 9.1937 9.2660 9.3150 9.3913 9.4461 9.8367 9.8603 10.6902 10.6996 10.8867 10.9442 11.3258 11.3423 k = 0.5139-0.0080 0.5897 ( 5163 PWs) bands (ev): -47.0219 -47.0219 -23.7321 -23.7320 -23.0798 -23.0798 -23.0783 -23.0782 -11.5035 -11.5022 -11.5012 -11.4972 -10.4815 -10.4814 -10.4642 -10.4594 -10.4589 -10.4563 3.1447 3.1538 7.0637 7.1100 7.2682 7.2996 7.6175 7.6414 8.8596 8.8677 9.1762 9.1946 9.2687 9.3186 9.3832 9.4368 9.8333 9.8578 10.6955 10.7015 10.8874 10.9453 11.3386 11.3555 k = 0.5069-0.0040 0.6010 ( 5180 PWs) bands (ev): -47.0219 -47.0219 -23.7321 -23.7320 -23.0798 -23.0798 -23.0784 -23.0782 -11.5035 -11.5022 -11.5012 -11.4972 -10.4815 -10.4814 -10.4642 -10.4593 -10.4589 -10.4563 3.1463 3.1555 7.0871 7.1348 7.2645 7.2970 7.5910 7.6128 8.8623 8.8678 9.1772 9.1952 9.2703 9.3214 9.3778 9.4311 9.8315 9.8565 10.6990 10.7021 10.8878 10.9461 11.3476 11.3651 k = 0.5000-0.0000 0.6124 ( 5180 PWs) bands (ev): -47.0219 -47.0219 -23.7321 -23.7320 -23.0798 -23.0798 -23.0784 -23.0782 -11.5035 -11.5022 -11.5013 -11.4972 -10.4815 -10.4814 -10.4642 -10.4593 -10.4590 -10.4563 3.1468 3.1560 7.0971 7.1468 7.2593 7.2937 7.5826 7.6033 8.8633 8.8676 9.1776 9.1954 9.2708 9.3226 9.3758 9.4293 9.8310 9.8562 10.7005 10.7020 10.8879 10.9463 11.3509 11.3686 k = 0.5000-0.0000 0.6124 ( 5180 PWs) bands (ev): -47.0219 -47.0219 -23.7321 -23.7320 -23.0798 -23.0798 -23.0784 -23.0782 -11.5035 -11.5022 -11.5013 -11.4972 -10.4815 -10.4814 -10.4642 -10.4593 -10.4590 -10.4563 3.1468 3.1560 7.0971 7.1468 7.2593 7.2937 7.5826 7.6033 8.8633 8.8676 9.1776 9.1954 9.2708 9.3226 9.3758 9.4293 9.8310 9.8562 10.7005 10.7020 10.8879 10.9463 11.3509 11.3686 k = 0.5000 0.0080 0.6010 ( 5180 PWs) bands (ev): -47.0219 -47.0219 -23.7321 -23.7320 -23.0798 -23.0798 -23.0784 -23.0782 -11.5035 -11.5022 -11.5012 -11.4972 -10.4815 -10.4814 -10.4642 -10.4593 -10.4589 -10.4563 3.1459 3.1551 7.0888 7.1429 7.2502 7.2893 7.5951 7.6183 8.8613 8.8679 9.1768 9.1951 9.2702 9.3220 9.3784 9.4330 9.8321 9.8571 10.7000 10.7038 10.8875 10.9458 11.3449 11.3621 k = 0.5000 0.0160 0.5897 ( 5168 PWs) bands (ev): -47.0219 -47.0219 -23.7321 -23.7320 -23.0798 -23.0798 -23.0783 -23.0782 -11.5035 -11.5022 -11.5012 -11.4972 -10.4815 -10.4814 -10.4642 -10.4594 -10.4588 -10.4563 3.1431 3.1523 7.0642 7.1262 7.2330 7.2813 7.6288 7.6567 8.8570 8.8675 9.1748 9.1940 9.2687 9.3203 9.3860 9.4437 9.8356 9.8598 10.7002 10.7073 10.8863 10.9442 11.3307 11.3470 k = 0.5000 0.0241 0.5784 ( 5176 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7320 -23.0798 -23.0798 -23.0783 -23.0782 -11.5035 -11.5023 -11.5011 -11.4973 -10.4814 -10.4814 -10.4642 -10.4595 -10.4587 -10.4563 3.1385 3.1476 7.0248 7.0890 7.2248 7.2772 7.6754 7.7079 8.8515 8.8659 9.1719 9.1922 9.2663 9.3176 9.3989 9.4604 9.8413 9.8645 10.7017 10.7120 10.8845 10.9418 11.3135 11.3290 k = 0.5000 0.0321 0.5670 ( 5174 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7320 -23.0798 -23.0798 -23.0783 -23.0782 -11.5035 -11.5023 -11.5010 -11.4973 -10.4814 -10.4814 -10.4641 -10.4596 -10.4586 -10.4563 3.1320 3.1411 6.9741 7.0353 7.2283 7.2798 7.7281 7.7643 8.8457 8.8632 9.1685 9.1895 9.2633 9.3139 9.4167 9.4820 9.8495 9.8710 10.7046 10.7178 10.8820 10.9384 11.2961 11.3111 k = 0.5000 0.0401 0.5557 ( 5170 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7319 -23.0798 -23.0798 -23.0783 -23.0782 -11.5035 -11.5024 -11.5009 -11.4973 -10.4814 -10.4814 -10.4641 -10.4597 -10.4585 -10.4563 3.1239 3.1329 6.9164 6.9732 7.2392 7.2886 7.7828 7.8220 8.8403 8.8601 9.1647 9.1862 9.2598 9.3094 9.4392 9.5076 9.8599 9.8795 10.7088 10.7246 10.8791 10.9344 11.2798 11.2943 k = 0.5000 0.0481 0.5443 ( 5168 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7319 -23.0798 -23.0798 -23.0783 -23.0782 -11.5035 -11.5024 -11.5008 -11.4973 -10.4814 -10.4814 -10.4641 -10.4598 -10.4584 -10.4563 3.1142 3.1231 6.8547 6.9072 7.2550 7.3025 7.8366 7.8782 8.8360 8.8572 9.1608 9.1824 9.2557 9.3042 9.4658 9.5368 9.8728 9.8902 10.7144 10.7322 10.8761 10.9298 11.2651 11.2791 k = 0.5000 0.0561 0.5330 ( 5172 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7319 -23.0798 -23.0798 -23.0782 -23.0781 -11.5035 -11.5024 -11.5007 -11.4974 -10.4814 -10.4813 -10.4641 -10.4599 -10.4583 -10.4563 3.1030 3.1118 6.7910 6.8398 7.2745 7.3205 7.8877 7.9311 8.8334 8.8553 9.1569 9.1784 9.2511 9.2983 9.4962 9.5689 9.8882 9.9030 10.7212 10.7403 10.8732 10.9251 11.2522 11.2657 k = 0.5000 0.0642 0.5217 ( 5172 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7319 -23.0798 -23.0798 -23.0782 -23.0781 -11.5034 -11.5025 -11.5006 -11.4974 -10.4814 -10.4813 -10.4640 -10.4601 -10.4582 -10.4563 3.0904 3.0991 6.7266 6.7721 7.2970 7.3419 7.9346 7.9795 8.8333 8.8551 9.1528 9.1742 9.2459 9.2917 9.5301 9.6038 9.9059 9.9181 10.7294 10.7486 10.8708 10.9206 11.2412 11.2542 k = 0.5000 0.0722 0.5103 ( 5168 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7319 -23.0798 -23.0798 -23.0782 -23.0781 -11.5034 -11.5025 -11.5005 -11.4975 -10.4814 -10.4813 -10.4640 -10.4602 -10.4581 -10.4564 3.0765 3.0851 6.6623 6.7049 7.3221 7.3662 7.9763 8.0222 8.8359 8.8572 9.1488 9.1699 9.2401 9.2845 9.5671 9.6411 9.9262 9.9357 10.7387 10.7567 10.8695 10.9169 11.2320 11.2444 k = 0.5000 0.0802 0.4990 ( 5166 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7319 -23.0798 -23.0798 -23.0781 -23.0780 -11.5034 -11.5025 -11.5004 -11.4975 -10.4814 -10.4812 -10.4639 -10.4603 -10.4580 -10.4564 3.0616 3.0700 6.5987 6.6386 7.3496 7.3930 8.0120 8.0585 8.8415 8.8619 9.1446 9.1656 9.2336 9.2767 9.6071 9.6805 9.9489 9.9560 10.7491 10.7641 10.8696 10.9145 11.2244 11.2363 k = 0.5000 0.0882 0.4876 ( 5174 PWs) bands (ev): -47.0219 -47.0219 -23.7319 -23.7319 -23.0798 -23.0798 -23.0781 -23.0780 -11.5033 -11.5025 -11.5003 -11.4976 -10.4813 -10.4812 -10.4638 -10.4604 -10.4579 -10.4564 3.0457 3.0539 6.5363 6.5736 7.3789 7.4218 8.0413 8.0882 8.8500 8.8694 9.1404 9.1612 9.2265 9.2684 9.6497 9.7218 9.9741 9.9790 10.7602 10.7703 10.8714 10.9143 11.2184 11.2297 k = 0.5000 0.0962 0.4763 ( 5178 PWs) bands (ev): -47.0219 -47.0219 -23.7319 -23.7318 -23.0798 -23.0798 -23.0780 -23.0779 -11.5033 -11.5025 -11.5001 -11.4977 -10.4813 -10.4811 -10.4638 -10.4605 -10.4579 -10.4564 3.0290 3.0370 6.4752 6.5103 7.4100 7.4524 8.0642 8.1111 8.8611 8.8795 9.1361 9.1569 9.2188 9.2597 9.6944 9.7646 10.0018 10.0050 10.7718 10.7752 10.8750 10.9172 11.2136 11.2245 k = 0.5000 0.1042 0.4649 ( 5176 PWs) bands (ev): -47.0219 -47.0219 -23.7319 -23.7318 -23.0799 -23.0798 -23.0779 -23.0779 -11.5033 -11.5025 -11.5000 -11.4978 -10.4813 -10.4811 -10.4637 -10.4606 -10.4578 -10.4564 3.0116 3.0194 6.4158 6.4487 7.4424 7.4843 8.0811 8.1277 8.8744 8.8918 9.1318 9.1526 9.2106 9.2506 9.7409 9.8084 10.0320 10.0340 10.7789 10.7837 10.8803 10.9239 11.2101 11.2205 k = 0.5000 0.1123 0.4536 ( 5178 PWs) bands (ev): -47.0219 -47.0219 -23.7319 -23.7318 -23.0799 -23.0798 -23.0779 -23.0778 -11.5032 -11.5025 -11.4999 -11.4978 -10.4813 -10.4810 -10.4636 -10.4607 -10.4577 -10.4565 2.9938 3.0014 6.3582 6.3891 7.4758 7.5172 8.0925 8.1385 8.8892 8.9057 9.1274 9.1484 9.2018 9.2412 9.7885 9.8524 10.0647 10.0661 10.7822 10.7953 10.8875 10.9343 11.2076 11.2175 k = 0.5000 0.1203 0.4423 ( 5178 PWs) bands (ev): -47.0219 -47.0219 -23.7318 -23.7318 -23.0799 -23.0798 -23.0778 -23.0778 -11.5032 -11.5025 -11.4998 -11.4979 -10.4813 -10.4810 -10.4636 -10.4608 -10.4576 -10.4565 2.9756 2.9829 6.3025 6.3315 7.5099 7.5508 8.0992 8.1443 8.9048 8.9204 9.1229 9.1444 9.1927 9.2316 9.8367 9.8961 10.0994 10.1014 10.7857 10.8064 10.8971 10.9478 11.2059 11.2154 k = 0.5000 0.1283 0.4309 ( 5176 PWs) bands (ev): -47.0219 -47.0219 -23.7318 -23.7317 -23.0799 -23.0798 -23.0777 -23.0777 -11.5031 -11.5025 -11.4998 -11.4980 -10.4812 -10.4810 -10.4635 -10.4609 -10.4575 -10.4565 2.9573 2.9643 6.2490 6.2762 7.5444 7.5848 8.1020 8.1459 8.9208 8.9354 9.1184 9.1404 9.1832 9.2219 9.8847 9.9389 10.1356 10.1396 10.7903 10.8175 10.9093 10.9638 11.2050 11.2141 k = 0.5000 0.1363 0.4196 ( 5174 PWs) bands (ev): -47.0219 -47.0219 -23.7318 -23.7317 -23.0799 -23.0799 -23.0777 -23.0776 -11.5030 -11.5024 -11.4997 -11.4981 -10.4812 -10.4809 -10.4634 -10.4609 -10.4574 -10.4566 2.9388 2.9456 6.1977 6.2231 7.5791 7.6188 8.1016 8.1441 8.9365 8.9499 9.1138 9.1367 9.1734 9.2121 9.9320 9.9804 10.1731 10.1798 10.7967 10.8290 10.9240 10.9813 11.2047 11.2134 k = 0.5000 0.1443 0.4082 ( 5186 PWs) bands (ev): -47.0219 -47.0219 -23.7318 -23.7317 -23.0799 -23.0799 -23.0776 -23.0776 -11.5030 -11.5024 -11.4996 -11.4982 -10.4812 -10.4809 -10.4633 -10.4610 -10.4574 -10.4566 2.9205 2.9270 6.1487 6.1724 7.6136 7.6526 8.0987 8.1397 8.9517 8.9637 9.1092 9.1331 9.1637 9.2024 9.9781 10.0205 10.2110 10.2207 10.8058 10.8419 10.9408 10.9999 11.2049 11.2132 k = 0.5000 0.1524 0.3969 ( 5180 PWs) bands (ev): -47.0219 -47.0219 -23.7317 -23.7317 -23.0799 -23.0799 -23.0775 -23.0775 -11.5029 -11.5023 -11.4995 -11.4983 -10.4812 -10.4808 -10.4632 -10.4611 -10.4573 -10.4566 2.9025 2.9086 6.1021 6.1242 7.6476 7.6857 8.0941 8.1333 8.9659 8.9763 9.1047 9.1297 9.1540 9.1928 10.0227 10.0592 10.2483 10.2609 10.8182 10.8570 10.9592 11.0190 11.2055 11.2135 k = 0.5000 0.1604 0.3856 ( 5180 PWs) bands (ev): -47.0220 -47.0219 -23.7317 -23.7316 -23.0799 -23.0799 -23.0774 -23.0774 -11.5028 -11.5023 -11.4995 -11.4984 -10.4811 -10.4808 -10.4631 -10.4612 -10.4572 -10.4566 2.8848 2.8906 6.0579 6.0784 7.6808 7.7179 8.0883 8.1256 8.9791 8.9878 9.1001 9.1263 9.1446 9.1833 10.0656 10.0968 10.2839 10.2989 10.8344 10.8750 10.9788 11.0382 11.2063 11.2141 k = 0.5000 0.1684 0.3742 ( 5178 PWs) bands (ev): -47.0220 -47.0219 -23.7317 -23.7316 -23.0799 -23.0799 -23.0774 -23.0773 -11.5028 -11.5022 -11.4994 -11.4985 -10.4811 -10.4808 -10.4630 -10.4612 -10.4572 -10.4567 2.8675 2.8731 6.0162 6.0352 7.7131 7.7490 8.0816 8.1168 8.9911 8.9980 9.0957 9.1227 9.1359 9.1742 10.1069 10.1333 10.3169 10.3333 10.8549 10.8963 10.9990 11.0572 11.2074 11.2151 k = 0.5000 0.1764 0.3629 ( 5168 PWs) bands (ev): -47.0220 -47.0220 -23.7317 -23.7316 -23.0800 -23.0799 -23.0773 -23.0773 -11.5027 -11.5022 -11.4994 -11.4986 -10.4811 -10.4807 -10.4630 -10.4613 -10.4571 -10.4567 2.8509 2.8561 5.9771 5.9946 7.7440 7.7786 8.0747 8.1076 9.0018 9.0071 9.0913 9.1181 9.1289 9.1653 10.1464 10.1688 10.3463 10.3633 10.8795 10.9208 11.0196 11.0757 11.2086 11.2163 k = 0.5000 0.1844 0.3515 ( 5170 PWs) bands (ev): -47.0220 -47.0220 -23.7316 -23.7316 -23.0800 -23.0799 -23.0772 -23.0772 -11.5026 -11.5021 -11.4994 -11.4987 -10.4810 -10.4807 -10.4629 -10.4614 -10.4571 -10.4567 2.8350 2.8398 5.9405 5.9566 7.7735 7.8064 8.0677 8.0982 9.0108 9.0154 9.0870 9.1118 9.1242 9.1570 10.1843 10.2033 10.3716 10.3885 10.9079 10.9481 11.0402 11.0934 11.2098 11.2178 k = 0.5000 0.1925 0.3402 ( 5164 PWs) bands (ev): -47.0220 -47.0220 -23.7316 -23.7316 -23.0800 -23.0800 -23.0772 -23.0771 -11.5025 -11.5020 -11.4993 -11.4988 -10.4810 -10.4807 -10.4628 -10.4614 -10.4570 -10.4567 2.8199 2.8244 5.9065 5.9212 7.8011 7.8323 8.0611 8.0890 9.0182 9.0231 9.0829 9.1044 9.1212 9.1491 10.2205 10.2367 10.3929 10.4089 10.9391 10.9774 11.0607 11.1102 11.2110 11.2195 k = 0.5000 0.2005 0.3289 ( 5172 PWs) bands (ev): -47.0220 -47.0220 -23.7316 -23.7315 -23.0800 -23.0800 -23.0771 -23.0771 -11.5024 -11.5020 -11.4993 -11.4989 -10.4810 -10.4807 -10.4627 -10.4615 -10.4570 -10.4568 2.8057 2.8098 5.8753 5.8886 7.8269 7.8558 8.0550 8.0802 9.0240 9.0303 9.0789 9.0971 9.1190 9.1419 10.2549 10.2688 10.4103 10.4250 10.9722 11.0076 11.0810 11.1258 11.2121 11.2214 k = 0.5000 0.2085 0.3175 ( 5174 PWs) bands (ev): -47.0220 -47.0220 -23.7316 -23.7315 -23.0800 -23.0800 -23.0770 -23.0770 -11.5023 -11.5019 -11.4993 -11.4989 -10.4810 -10.4807 -10.4626 -10.4615 -10.4570 -10.4568 2.7924 2.7962 5.8466 5.8587 7.8504 7.8769 8.0499 8.0721 9.0287 9.0365 9.0752 9.0901 9.1171 9.1355 10.2874 10.2994 10.4243 10.4375 11.0059 11.0373 11.1011 11.1402 11.2132 11.2234 k = 0.5000 0.2165 0.3062 ( 5174 PWs) bands (ev): -47.0220 -47.0220 -23.7316 -23.7315 -23.0800 -23.0800 -23.0770 -23.0770 -11.5022 -11.5018 -11.4993 -11.4990 -10.4809 -10.4806 -10.4625 -10.4616 -10.4569 -10.4568 2.7802 2.7836 5.8207 5.8315 7.8715 7.8952 8.0459 8.0649 9.0326 9.0418 9.0717 9.0836 9.1154 9.1299 10.3178 10.3283 10.4354 10.4470 11.0391 11.0654 11.1209 11.1532 11.2142 11.2254 k = 0.5000 0.2245 0.2948 ( 5176 PWs) bands (ev): -47.0220 -47.0220 -23.7315 -23.7315 -23.0800 -23.0800 -23.0769 -23.0769 -11.5021 -11.5018 -11.4993 -11.4991 -10.4809 -10.4806 -10.4624 -10.4616 -10.4569 -10.4568 2.7691 2.7722 5.7976 5.8071 7.8899 7.9105 8.0433 8.0588 9.0359 9.0461 9.0685 9.0777 9.1136 9.1254 10.3460 10.3550 10.4443 10.4542 11.0707 11.0908 11.1405 11.1649 11.2151 11.2276 k = 0.5000 0.2325 0.2835 ( 5172 PWs) bands (ev): -47.0220 -47.0220 -23.7315 -23.7315 -23.0800 -23.0800 -23.0769 -23.0769 -11.5020 -11.5017 -11.4994 -11.4992 -10.4809 -10.4806 -10.4624 -10.4617 -10.4569 -10.4568 2.7593 2.7619 5.7772 5.7854 7.9056 7.9227 8.0421 8.0541 9.0387 9.0492 9.0657 9.0725 9.1119 9.1218 10.3717 10.3793 10.4513 10.4597 11.0999 11.1127 11.1595 11.1753 11.2161 11.2297 k = 0.5000 0.2406 0.2722 ( 5172 PWs) bands (ev): -47.0220 -47.0220 -23.7315 -23.7315 -23.0801 -23.0800 -23.0768 -23.0768 -11.5020 -11.5017 -11.4994 -11.4993 -10.4809 -10.4806 -10.4623 -10.4617 -10.4569 -10.4568 2.7506 2.7529 5.7595 5.7665 7.9184 7.9320 8.0424 8.0508 9.0412 9.0513 9.0633 9.0680 9.1103 9.1190 10.3944 10.4008 10.4571 10.4639 11.1258 11.1311 11.1772 11.1847 11.2172 11.2317 k = 0.5000 0.2486 0.2608 ( 5174 PWs) bands (ev): -47.0220 -47.0220 -23.7315 -23.7315 -23.0801 -23.0801 -23.0768 -23.0768 -11.5019 -11.5016 -11.4994 -11.4993 -10.4808 -10.4806 -10.4622 -10.4618 -10.4569 -10.4568 2.7432 2.7451 5.7446 5.7505 7.9283 7.9386 8.0437 8.0490 9.0434 9.0525 9.0612 9.0641 9.1091 9.1169 10.4139 10.4188 10.4622 10.4673 11.1458 11.1479 11.1913 11.1948 11.2188 11.2335 k = 0.5000 0.2566 0.2495 ( 5170 PWs) bands (ev): -47.0220 -47.0220 -23.7315 -23.7315 -23.0801 -23.0801 -23.0768 -23.0768 -11.5018 -11.5016 -11.4994 -11.4994 -10.4808 -10.4807 -10.4622 -10.4618 -10.4569 -10.4569 2.7372 2.7387 5.7326 5.7372 7.9355 7.9430 8.0456 8.0485 9.0454 9.0528 9.0594 9.0609 9.1084 9.1152 10.4297 10.4331 10.4670 10.4704 11.1581 11.1643 11.2005 11.2062 11.2214 11.2351 k = 0.5000 0.2646 0.2381 ( 5176 PWs) bands (ev): -47.0220 -47.0220 -23.7315 -23.7314 -23.0801 -23.0801 -23.0767 -23.0767 -11.5017 -11.5016 -11.4994 -11.4994 -10.4808 -10.4807 -10.4621 -10.4618 -10.4569 -10.4569 2.7325 2.7336 5.7233 5.7268 7.9406 7.9457 8.0476 8.0489 9.0473 9.0528 9.0577 9.0584 9.1082 9.1137 10.4414 10.4432 10.4717 10.4735 11.1677 11.1752 11.2086 11.2137 11.2258 11.2366 k = 0.5000 0.2726 0.2268 ( 5170 PWs) bands (ev): -47.0220 -47.0220 -23.7315 -23.7314 -23.0801 -23.0801 -23.0767 -23.0767 -11.5017 -11.5016 -11.4994 -11.4994 -10.4808 -10.4807 -10.4621 -10.4619 -10.4569 -10.4569 2.7292 2.7300 5.7168 5.7191 7.9439 7.9471 8.0493 8.0497 9.0492 9.0527 9.0560 9.0565 9.1085 9.1124 10.4488 10.4495 10.4761 10.4767 11.1748 11.1811 11.2155 11.2176 11.2310 11.2379 k = 0.5000 0.2807 0.2155 ( 5168 PWs) bands (ev): -47.0220 -47.0220 -23.7315 -23.7314 -23.0801 -23.0801 -23.0767 -23.0767 -11.5016 -11.5016 -11.4995 -11.4995 -10.4807 -10.4807 -10.4620 -10.4619 -10.4569 -10.4569 2.7273 2.7277 5.7132 5.7143 7.9460 7.9475 8.0504 8.0504 9.0510 9.0528 9.0546 9.0549 9.1091 9.1112 10.4526 10.4528 10.4793 10.4793 11.1798 11.1832 11.2195 11.2199 11.2352 11.2385 k = 0.5000 0.2887 0.2041 ( 5168 PWs) bands (ev): -47.0220 -47.0220 -23.7314 -23.7314 -23.0801 -23.0801 -23.0767 -23.0767 -11.5016 -11.5016 -11.4995 -11.4995 -10.4807 -10.4807 -10.4620 -10.4620 -10.4569 -10.4569 2.7268 2.7268 5.7123 5.7123 7.9471 7.9471 8.0507 8.0507 9.0525 9.0525 9.0539 9.0539 9.1101 9.1101 10.4538 10.4538 10.4804 10.4804 11.1826 11.1826 11.2207 11.2207 11.2378 11.2378 k = 0.5000 0.2887 0.2041 ( 5168 PWs) bands (ev): -47.0220 -47.0220 -23.7314 -23.7314 -23.0801 -23.0801 -23.0767 -23.0767 -11.5016 -11.5016 -11.4995 -11.4995 -10.4807 -10.4807 -10.4620 -10.4620 -10.4569 -10.4569 2.7268 2.7268 5.7123 5.7123 7.9471 7.9471 8.0507 8.0507 9.0525 9.0525 9.0539 9.0539 9.1101 9.1101 10.4538 10.4538 10.4804 10.4804 11.1826 11.1826 11.2207 11.2207 11.2378 11.2378 k = 0.4960 0.2863 0.2173 ( 5168 PWs) bands (ev): -47.0220 -47.0220 -23.7315 -23.7314 -23.0801 -23.0801 -23.0767 -23.0767 -11.5016 -11.5016 -11.4995 -11.4995 -10.4807 -10.4807 -10.4620 -10.4619 -10.4569 -10.4569 2.7273 2.7277 5.7132 5.7143 7.9459 7.9475 8.0504 8.0504 9.0510 9.0528 9.0546 9.0549 9.1091 9.1112 10.4526 10.4528 10.4793 10.4793 11.1798 11.1832 11.2197 11.2197 11.2352 11.2385 k = 0.4919 0.2840 0.2305 ( 5177 PWs) bands (ev): -47.0220 -47.0220 -23.7315 -23.7314 -23.0801 -23.0801 -23.0767 -23.0767 -11.5017 -11.5016 -11.4994 -11.4994 -10.4808 -10.4807 -10.4621 -10.4619 -10.4569 -10.4569 2.7292 2.7300 5.7169 5.7192 7.9439 7.9471 8.0494 8.0496 9.0492 9.0527 9.0560 9.0565 9.1085 9.1124 10.4488 10.4493 10.4764 10.4764 11.1747 11.1811 11.2162 11.2165 11.2313 11.2377 k = 0.4879 0.2817 0.2436 ( 5171 PWs) bands (ev): -47.0220 -47.0220 -23.7315 -23.7314 -23.0801 -23.0801 -23.0767 -23.0767 -11.5017 -11.5016 -11.4994 -11.4994 -10.4808 -10.4807 -10.4621 -10.4618 -10.4569 -10.4569 2.7326 2.7337 5.7234 5.7269 7.9405 7.9456 8.0480 8.0485 9.0473 9.0529 9.0579 9.0582 9.1082 9.1137 10.4417 10.4425 10.4726 10.4727 11.1672 11.1755 11.2102 11.2106 11.2277 11.2358 k = 0.4839 0.2794 0.2568 ( 5171 PWs) bands (ev): -47.0220 -47.0220 -23.7315 -23.7315 -23.0801 -23.0801 -23.0768 -23.0768 -11.5018 -11.5016 -11.4994 -11.4994 -10.4808 -10.4807 -10.4622 -10.4618 -10.4569 -10.4568 2.7373 2.7389 5.7328 5.7375 7.9356 7.9427 8.0465 8.0476 9.0453 9.0530 9.0600 9.0604 9.1085 9.1152 10.4302 10.4314 10.4688 10.4691 11.1567 11.1654 11.2018 11.2020 11.2252 11.2333 k = 0.4798 0.2770 0.2700 ( 5169 PWs) bands (ev): -47.0220 -47.0220 -23.7315 -23.7315 -23.0801 -23.0801 -23.0768 -23.0768 -11.5019 -11.5016 -11.4994 -11.4993 -10.4808 -10.4806 -10.4622 -10.4617 -10.4569 -10.4568 2.7434 2.7453 5.7450 5.7509 7.9285 7.9378 8.0454 8.0475 9.0431 9.0527 9.0621 9.0633 9.1095 9.1167 10.4141 10.4160 10.4653 10.4659 11.1424 11.1503 11.1916 11.1916 11.2239 11.2305 k = 0.4758 0.2747 0.2831 ( 5167 PWs) bands (ev): -47.0220 -47.0220 -23.7315 -23.7315 -23.0801 -23.0800 -23.0768 -23.0768 -11.5020 -11.5017 -11.4993 -11.4993 -10.4809 -10.4806 -10.4623 -10.4617 -10.4569 -10.4568 2.7509 2.7532 5.7601 5.7671 7.9187 7.9304 8.0454 8.0484 9.0408 9.0516 9.0647 9.0667 9.1112 9.1183 10.3937 10.3966 10.4620 10.4628 11.1236 11.1301 11.1800 11.1802 11.2232 11.2277 k = 0.4718 0.2724 0.2963 ( 5169 PWs) bands (ev): -47.0220 -47.0220 -23.7315 -23.7315 -23.0800 -23.0800 -23.0769 -23.0769 -11.5020 -11.5017 -11.4993 -11.4992 -10.4809 -10.4806 -10.4624 -10.4617 -10.4569 -10.4568 2.7596 2.7623 5.7779 5.7862 7.9061 7.9200 8.0468 8.0508 9.0381 9.0495 9.0680 9.0706 9.1139 9.1201 10.3692 10.3735 10.4587 10.4597 11.1000 11.1052 11.1675 11.1683 11.2230 11.2249 k = 0.4677 0.2701 0.3095 ( 5173 PWs) bands (ev): -47.0220 -47.0220 -23.7315 -23.7315 -23.0800 -23.0800 -23.0769 -23.0769 -11.5021 -11.5018 -11.4993 -11.4992 -10.4809 -10.4806 -10.4624 -10.4616 -10.4569 -10.4568 2.7696 2.7727 5.7986 5.8081 7.8904 7.9063 8.0498 8.0548 9.0350 9.0462 9.0719 9.0748 9.1175 9.1220 10.3410 10.3471 10.4552 10.4563 11.0719 11.0763 11.1541 11.1557 11.2222 11.2231 k = 0.4637 0.2677 0.3226 ( 5171 PWs) bands (ev): -47.0220 -47.0220 -23.7316 -23.7315 -23.0800 -23.0800 -23.0770 -23.0770 -11.5022 -11.5019 -11.4993 -11.4991 -10.4809 -10.4807 -10.4625 -10.4616 -10.4569 -10.4568 2.7808 2.7842 5.8220 5.8328 7.8717 7.8893 8.0546 8.0603 9.0314 9.0418 9.0765 9.0795 9.1219 9.1241 10.3092 10.3176 10.4514 10.4527 11.0397 11.0440 11.1397 11.1425 11.2196 11.2234 k = 0.4597 0.2654 0.3358 ( 5177 PWs) bands (ev): -47.0220 -47.0220 -23.7316 -23.7315 -23.0800 -23.0800 -23.0770 -23.0770 -11.5023 -11.5019 -11.4992 -11.4990 -10.4810 -10.4807 -10.4626 -10.4615 -10.4570 -10.4568 2.7931 2.7969 5.8482 5.8603 7.8499 7.8690 8.0609 8.0673 9.0272 9.0362 9.0818 9.0846 9.1264 9.1271 10.2740 10.2853 10.4472 10.4487 11.0041 11.0088 11.1244 11.1286 11.2172 11.2237 k = 0.4556 0.2631 0.3490 ( 5177 PWs) bands (ev): -47.0220 -47.0220 -23.7316 -23.7315 -23.0800 -23.0800 -23.0771 -23.0771 -11.5024 -11.5020 -11.4992 -11.4990 -10.4810 -10.4807 -10.4627 -10.4615 -10.4570 -10.4568 2.8065 2.8106 5.8771 5.8906 7.8253 7.8457 8.0688 8.0757 9.0222 9.0295 9.0876 9.0900 9.1289 9.1329 10.2358 10.2504 10.4426 10.4444 10.9657 10.9713 11.1083 11.1140 11.2150 11.2242 k = 0.4516 0.2607 0.3622 ( 5174 PWs) bands (ev): -47.0220 -47.0220 -23.7316 -23.7316 -23.0800 -23.0800 -23.0772 -23.0771 -11.5025 -11.5021 -11.4992 -11.4989 -10.4810 -10.4807 -10.4628 -10.4614 -10.4571 -10.4567 2.8208 2.8253 5.9087 5.9236 7.7978 7.8193 8.0780 8.0853 9.0162 9.0215 9.0940 9.0956 9.1317 9.1394 10.1947 10.2133 10.4376 10.4395 10.9251 10.9323 11.0917 11.0989 11.2130 11.2246 k = 0.4476 0.2584 0.3753 ( 5174 PWs) bands (ev): -47.0220 -47.0220 -23.7316 -23.7316 -23.0800 -23.0799 -23.0772 -23.0772 -11.5026 -11.5022 -11.4992 -11.4988 -10.4810 -10.4807 -10.4629 -10.4614 -10.4571 -10.4567 2.8361 2.8409 5.9430 5.9593 7.7676 7.7902 8.0883 8.0960 9.0091 9.0123 9.1010 9.1015 9.1347 9.1463 10.1511 10.1742 10.4321 10.4343 10.8833 10.8924 11.0746 11.0833 11.2111 11.2251 k = 0.4435 0.2561 0.3885 ( 5174 PWs) bands (ev): -47.0220 -47.0220 -23.7317 -23.7316 -23.0800 -23.0799 -23.0773 -23.0773 -11.5026 -11.5022 -11.4992 -11.4987 -10.4811 -10.4807 -10.4629 -10.4613 -10.4572 -10.4567 2.8521 2.8573 5.9799 5.9977 7.7348 7.7583 8.0997 8.1078 9.0008 9.0018 9.1076 9.1084 9.1380 9.1537 10.1053 10.1334 10.4261 10.4285 10.8408 10.8523 11.0572 11.0674 11.2093 11.2255 k = 0.4395 0.2538 0.4017 ( 5171 PWs) bands (ev): -47.0220 -47.0219 -23.7317 -23.7316 -23.0799 -23.0799 -23.0774 -23.0774 -11.5027 -11.5023 -11.4992 -11.4987 -10.4811 -10.4808 -10.4630 -10.4613 -10.4572 -10.4566 2.8688 2.8743 6.0193 6.0387 7.6994 7.7238 8.1122 8.1205 8.9899 8.9910 9.1137 9.1161 9.1415 9.1614 10.0580 10.0915 10.4195 10.4222 10.7984 10.8124 11.0397 11.0513 11.2076 11.2259 k = 0.4355 0.2514 0.4148 ( 5167 PWs) bands (ev): -47.0220 -47.0219 -23.7317 -23.7316 -23.0799 -23.0799 -23.0774 -23.0774 -11.5028 -11.5024 -11.4992 -11.4986 -10.4811 -10.4808 -10.4631 -10.4612 -10.4573 -10.4566 2.8860 2.8919 6.0613 6.0824 7.6616 7.6868 8.1255 8.1341 8.9765 8.9796 9.1199 9.1242 9.1453 9.1694 10.0096 10.0488 10.4125 10.4153 10.7568 10.7735 11.0223 11.0354 11.2059 11.2262 k = 0.4315 0.2491 0.4280 ( 5167 PWs) bands (ev): -47.0219 -47.0219 -23.7317 -23.7317 -23.0799 -23.0799 -23.0775 -23.0775 -11.5028 -11.5025 -11.4992 -11.4985 -10.4812 -10.4808 -10.4632 -10.4611 -10.4573 -10.4566 2.9037 2.9099 6.1057 6.1286 7.6214 7.6475 8.1396 8.1485 8.9616 8.9664 9.1261 9.1326 9.1494 9.1775 9.9609 10.0060 10.4049 10.4079 10.7164 10.7358 11.0052 11.0196 11.2041 11.2263 k = 0.4274 0.2468 0.4412 ( 5175 PWs) bands (ev): -47.0219 -47.0219 -23.7318 -23.7317 -23.0799 -23.0799 -23.0776 -23.0776 -11.5029 -11.5026 -11.4992 -11.4985 -10.4812 -10.4809 -10.4633 -10.4610 -10.4574 -10.4566 2.9217 2.9281 6.1525 6.1773 7.5790 7.6060 8.1545 8.1637 8.9451 8.9514 9.1321 9.1410 9.1538 9.1858 9.9125 9.9636 10.3966 10.3998 10.6778 10.6997 10.9885 11.0042 11.2023 11.2262 k = 0.4234 0.2444 0.4543 ( 5177 PWs) bands (ev): -47.0219 -47.0219 -23.7318 -23.7317 -23.0799 -23.0799 -23.0776 -23.0776 -11.5030 -11.5026 -11.4992 -11.4984 -10.4812 -10.4809 -10.4633 -10.4610 -10.4575 -10.4565 2.9398 2.9465 6.2016 6.2284 7.5344 7.5624 8.1701 8.1795 8.9271 8.9346 9.1379 9.1495 9.1583 9.1940 9.8651 9.9221 10.3878 10.3912 10.6413 10.6653 10.9726 10.9895 11.2004 11.2259 k = 0.4194 0.2421 0.4675 ( 5176 PWs) bands (ev): -47.0219 -47.0219 -23.7318 -23.7317 -23.0799 -23.0799 -23.0777 -23.0777 -11.5030 -11.5027 -11.4993 -11.4984 -10.4813 -10.4810 -10.4634 -10.4609 -10.4576 -10.4565 2.9579 2.9649 6.2527 6.2818 7.4879 7.5170 8.1863 8.1960 8.9076 8.9160 9.1435 9.1580 9.1631 9.2021 9.8195 9.8823 10.3784 10.3818 10.6070 10.6330 10.9574 10.9755 11.1984 11.2254 k = 0.4153 0.2398 0.4807 ( 5175 PWs) bands (ev): -47.0219 -47.0219 -23.7318 -23.7318 -23.0799 -23.0799 -23.0778 -23.0777 -11.5030 -11.5028 -11.4993 -11.4983 -10.4813 -10.4810 -10.4635 -10.4608 -10.4576 -10.4565 2.9758 2.9830 6.3058 6.3375 7.4396 7.4700 8.2031 8.2130 8.8867 8.8957 9.1488 9.1662 9.1679 9.2101 9.7763 9.8445 10.3683 10.3717 10.5751 10.6026 10.9433 10.9624 11.1963 11.2245 k = 0.4113 0.2375 0.4938 ( 5183 PWs) bands (ev): -47.0219 -47.0219 -23.7319 -23.7318 -23.0799 -23.0799 -23.0778 -23.0778 -11.5031 -11.5028 -11.4993 -11.4983 -10.4813 -10.4811 -10.4635 -10.4607 -10.4577 -10.4565 2.9933 3.0008 6.3606 6.3952 7.3898 7.4219 8.2204 8.2306 8.8647 8.8741 9.1537 9.1727 9.1740 9.2178 9.7359 9.8090 10.3574 10.3609 10.5457 10.5741 10.9304 10.9504 11.1940 11.2233 k = 0.4073 0.2351 0.5070 ( 5171 PWs) bands (ev): -47.0219 -47.0219 -23.7319 -23.7318 -23.0799 -23.0799 -23.0779 -23.0778 -11.5031 -11.5029 -11.4994 -11.4982 -10.4813 -10.4811 -10.4636 -10.4606 -10.4578 -10.4564 3.0103 3.0179 6.4168 6.4548 7.3388 7.3731 8.2382 8.2486 8.8418 8.8514 9.1584 9.1774 9.1815 9.2251 9.6987 9.7762 10.3459 10.3493 10.5186 10.5477 10.9188 10.9397 11.1916 11.2217 k = 0.4032 0.2328 0.5202 ( 5173 PWs) bands (ev): -47.0219 -47.0219 -23.7319 -23.7318 -23.0799 -23.0799 -23.0779 -23.0779 -11.5031 -11.5029 -11.4994 -11.4982 -10.4814 -10.4812 -10.4636 -10.4606 -10.4579 -10.4564 3.0264 3.0342 6.4740 6.5160 7.2870 7.3241 8.2565 8.2671 8.8185 8.8280 9.1627 9.1818 9.1883 9.2320 9.6648 9.7462 10.3335 10.3369 10.4939 10.5231 10.9087 10.9303 11.1890 11.2199 k = 0.3992 0.2305 0.5334 ( 5177 PWs) bands (ev): -47.0219 -47.0219 -23.7319 -23.7318 -23.0799 -23.0799 -23.0779 -23.0779 -11.5031 -11.5030 -11.4995 -11.4982 -10.4814 -10.4812 -10.4636 -10.4605 -10.4579 -10.4564 3.0416 3.0495 6.5313 6.5784 7.2351 7.2760 8.2751 8.2859 8.7951 8.8045 9.1668 9.1858 9.1944 9.2384 9.6345 9.7188 10.3203 10.3235 10.4713 10.5003 10.9002 10.9225 11.1865 11.2178 k = 0.3952 0.2281 0.5465 ( 5175 PWs) bands (ev): -47.0219 -47.0219 -23.7319 -23.7319 -23.0799 -23.0799 -23.0780 -23.0779 -11.5031 -11.5030 -11.4996 -11.4981 -10.4814 -10.4813 -10.4637 -10.4604 -10.4580 -10.4564 3.0555 3.0635 6.5879 6.6412 7.1840 7.2301 8.2941 8.3050 8.7722 8.7814 9.1705 9.1894 9.1996 9.2440 9.6076 9.6939 10.3061 10.3091 10.4508 10.4791 10.8935 10.9163 11.1841 11.2155 k = 0.3911 0.2258 0.5597 ( 5175 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7319 -23.0800 -23.0800 -23.0780 -23.0779 -11.5031 -11.5031 -11.4996 -11.4981 -10.4815 -10.4813 -10.4637 -10.4603 -10.4580 -10.4564 3.0679 3.0760 6.6418 6.7032 7.1353 7.1883 8.3133 8.3244 8.7503 8.7591 9.1739 9.1924 9.2039 9.2490 9.5841 9.6714 10.2909 10.2937 10.4321 10.4596 10.8886 10.9118 11.1820 11.2132 k = 0.3871 0.2235 0.5729 ( 5169 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7319 -23.0800 -23.0800 -23.0780 -23.0779 -11.5031 -11.5031 -11.4997 -11.4981 -10.4815 -10.4814 -10.4637 -10.4603 -10.4581 -10.4565 3.0787 3.0868 6.6901 6.7615 7.0922 7.1541 8.3328 8.3440 8.7297 8.7383 9.1770 9.1948 9.2072 9.2531 9.5636 9.6510 10.2745 10.2772 10.4151 10.4415 10.8857 10.9091 11.1802 11.2110 k = 0.3831 0.2212 0.5860 ( 5169 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7319 -23.0800 -23.0800 -23.0780 -23.0779 -11.5031 -11.5030 -11.4998 -11.4981 -10.4815 -10.4814 -10.4637 -10.4602 -10.4581 -10.4565 3.0875 3.0956 6.7279 6.8090 7.0618 7.1325 8.3524 8.3638 8.7110 8.7194 9.1798 9.1964 9.2094 9.2564 9.5460 9.6325 10.2568 10.2594 10.3995 10.4247 10.8849 10.9083 11.1791 11.2093 k = 0.3790 0.2188 0.5992 ( 5182 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7319 -23.0800 -23.0800 -23.0780 -23.0779 -11.5032 -11.5030 -11.4999 -11.4981 -10.4815 -10.4814 -10.4636 -10.4602 -10.4582 -10.4565 3.0941 3.1021 6.7495 6.8321 7.0582 7.1297 8.3722 8.3836 8.6945 8.7028 9.1822 9.1974 9.2105 9.2588 9.5310 9.6155 10.2376 10.2404 10.3852 10.4091 10.8861 10.9095 11.1789 11.2081 k = 0.3750 0.2165 0.6124 ( 5174 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7319 -23.0801 -23.0801 -23.0780 -23.0779 -11.5032 -11.5030 -11.4999 -11.4981 -10.4816 -10.4815 -10.4636 -10.4602 -10.4582 -10.4565 3.0982 3.1062 6.7515 6.8229 7.0894 7.1491 8.3921 8.4036 8.6807 8.6889 9.1842 9.1977 9.2106 9.2603 9.5181 9.5998 10.2170 10.2198 10.3720 10.3946 10.8894 10.9125 11.1798 11.2079 k = 0.6250-0.0722 0.4082 ( 5174 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7319 -23.0801 -23.0801 -23.0780 -23.0779 -11.5032 -11.5030 -11.4999 -11.4981 -10.4816 -10.4815 -10.4636 -10.4602 -10.4582 -10.4565 3.0982 3.1062 6.7515 6.8229 7.0894 7.1491 8.3921 8.4036 8.6807 8.6889 9.1842 9.1977 9.2106 9.2603 9.5181 9.5998 10.2170 10.2198 10.3720 10.3946 10.8894 10.9125 11.1798 11.2079 k = 0.6181-0.0842 0.4082 ( 5174 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7319 -23.0801 -23.0801 -23.0780 -23.0779 -11.5032 -11.5029 -11.5001 -11.4980 -10.4816 -10.4815 -10.4636 -10.4601 -10.4582 -10.4566 3.1022 3.1100 6.7344 6.7848 7.1707 7.2084 8.4271 8.4386 8.6595 8.6676 9.1872 9.1977 9.2096 9.2616 9.4977 9.5733 10.1789 10.1820 10.3504 10.3707 10.8971 10.9197 11.1835 11.2093 k = 0.6111-0.0962 0.4082 ( 5168 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7319 -23.0801 -23.0801 -23.0779 -23.0779 -11.5032 -11.5028 -11.5002 -11.4980 -10.4817 -10.4816 -10.4635 -10.4601 -10.4582 -10.4567 3.1047 3.1121 6.7108 6.7475 7.2562 7.2793 8.4632 8.4747 8.6391 8.6469 9.1898 9.1979 9.2083 9.2623 9.4774 9.5457 10.1385 10.1420 10.3294 10.3472 10.9052 10.9273 11.1890 11.2125 k = 0.6042-0.1083 0.4082 ( 5178 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7320 -23.0802 -23.0802 -23.0779 -23.0779 -11.5032 -11.5027 -11.5003 -11.4981 -10.4817 -10.4817 -10.4634 -10.4600 -10.4582 -10.4567 3.1058 3.1129 6.6843 6.7117 7.3448 7.3578 8.5003 8.5120 8.6195 8.6271 9.1917 9.1986 9.2065 9.2622 9.4576 9.5173 10.0961 10.1000 10.3087 10.3240 10.9136 10.9352 11.1962 11.2173 k = 0.5972-0.1203 0.4082 ( 5180 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7320 -23.0802 -23.0802 -23.0779 -23.0778 -11.5033 -11.5026 -11.5004 -11.4981 -10.4818 -10.4817 -10.4633 -10.4600 -10.4582 -10.4568 3.1058 3.1126 6.6567 6.6776 7.4357 7.4414 8.5384 8.5501 8.6009 8.6083 9.1929 9.2000 9.2040 9.2612 9.4385 9.4883 10.0519 10.0563 10.2882 10.3009 10.9222 10.9433 11.2050 11.2238 k = 0.5903-0.1323 0.4082 ( 5184 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7320 -23.0803 -23.0803 -23.0778 -23.0778 -11.5033 -11.5026 -11.5005 -11.4981 -10.4818 -10.4818 -10.4632 -10.4600 -10.4583 -10.4569 3.1049 3.1113 6.6293 6.6456 7.5281 7.5285 8.5760 8.5848 8.5862 8.5934 9.1935 9.2007 9.2018 9.2594 9.4204 9.4589 10.0061 10.0110 10.2677 10.2777 10.9310 10.9515 11.2153 11.2318 k = 0.5833-0.1443 0.4082 ( 5188 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7320 -23.0803 -23.0803 -23.0778 -23.0778 -11.5033 -11.5025 -11.5006 -11.4982 -10.4819 -10.4818 -10.4631 -10.4600 -10.4583 -10.4569 3.1034 3.1093 6.6027 6.6155 7.6178 7.6214 8.5668 8.5734 8.6175 8.6295 9.1935 9.1960 9.2039 9.2571 9.4038 9.4292 9.9589 9.9643 10.2472 10.2546 10.9400 10.9598 11.2270 11.2413 k = 0.5764-0.1564 0.4082 ( 5180 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7320 -23.0804 -23.0804 -23.0778 -23.0777 -11.5033 -11.5024 -11.5006 -11.4982 -10.4819 -10.4819 -10.4629 -10.4600 -10.4583 -10.4570 3.1013 3.1068 6.5775 6.5876 7.7080 7.7146 8.5521 8.5584 8.6575 8.6697 9.1895 9.1931 9.2059 9.2544 9.3887 9.3997 9.9107 9.9166 10.2268 10.2314 10.9490 10.9681 11.2399 11.2520 k = 0.5694-0.1684 0.4082 ( 5172 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7320 -23.0804 -23.0804 -23.0777 -23.0777 -11.5033 -11.5024 -11.5006 -11.4983 -10.4820 -10.4819 -10.4628 -10.4600 -10.4583 -10.4571 3.0988 3.1039 6.5539 6.5619 7.7981 7.8070 8.5391 8.5450 8.6979 8.7102 9.1806 9.1920 9.2077 9.2519 9.3708 9.3754 9.8617 9.8681 10.2063 10.2084 10.9581 10.9763 11.2538 11.2639 k = 0.5625-0.1804 0.4082 ( 5176 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7320 -23.0804 -23.0804 -23.0777 -23.0777 -11.5032 -11.5023 -11.5006 -11.4984 -10.4820 -10.4820 -10.4627 -10.4601 -10.4583 -10.4572 3.0962 3.1008 6.5321 6.5385 7.8871 7.8975 8.5280 8.5335 8.7381 8.7507 9.1688 9.1895 9.2092 9.2502 9.3438 9.3637 9.8122 9.8190 10.1858 10.1860 10.9670 10.9843 11.2685 11.2767 k = 0.5556-0.1925 0.4082 ( 5176 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7320 -23.0805 -23.0805 -23.0777 -23.0776 -11.5032 -11.5024 -11.5006 -11.4985 -10.4821 -10.4820 -10.4625 -10.4602 -10.4582 -10.4572 3.0935 3.0977 6.5123 6.5174 7.9737 7.9850 8.5192 8.5244 8.7778 8.7905 9.1541 9.1839 9.2104 9.2496 9.3204 9.3534 9.7626 9.7698 10.1639 10.1662 10.9759 10.9921 11.2838 11.2901 k = 0.5486-0.2045 0.4082 ( 5180 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7320 -23.0805 -23.0805 -23.0776 -23.0776 -11.5032 -11.5024 -11.5005 -11.4986 -10.4821 -10.4821 -10.4624 -10.4602 -10.4582 -10.4573 3.0909 3.0946 6.4946 6.4987 8.0564 8.0680 8.5132 8.5182 8.8160 8.8290 9.1368 9.1727 9.2119 9.2505 9.3030 9.3444 9.7132 9.7208 10.1430 10.1470 10.9845 10.9994 11.2991 11.3039 k = 0.5417-0.2165 0.4082 ( 5176 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7320 -23.0805 -23.0805 -23.0776 -23.0776 -11.5032 -11.5024 -11.5004 -11.4987 -10.4821 -10.4821 -10.4622 -10.4603 -10.4582 -10.4574 3.0885 3.0916 6.4791 6.4824 8.1333 8.1444 8.5110 8.5158 8.8520 8.8653 9.1175 9.1546 9.2143 9.2528 9.2935 9.3365 9.6646 9.6724 10.1236 10.1288 10.9927 11.0062 11.3143 11.3177 k = 0.5347-0.2285 0.4082 ( 5176 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7320 -23.0806 -23.0805 -23.0776 -23.0776 -11.5031 -11.5025 -11.5003 -11.4988 -10.4822 -10.4822 -10.4620 -10.4605 -10.4581 -10.4574 3.0863 3.0890 6.4660 6.4685 8.2018 8.2117 8.5137 8.5185 8.8841 8.8977 9.0976 9.1308 9.2181 9.2566 9.2915 9.3298 9.6172 9.6251 10.1063 10.1120 11.0004 11.0122 11.3286 11.3308 k = 0.5278-0.2406 0.4082 ( 5172 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7320 -23.0806 -23.0806 -23.0776 -23.0775 -11.5031 -11.5025 -11.5002 -11.4990 -10.4822 -10.4822 -10.4619 -10.4606 -10.4581 -10.4575 3.0845 3.0866 6.4552 6.4570 8.2587 8.2667 8.5230 8.5279 8.9103 8.9241 9.0789 9.1052 9.2234 9.2612 9.2954 9.3252 9.5721 9.5799 10.0915 10.0971 11.0074 11.0172 11.3417 11.3428 k = 0.5208-0.2526 0.4082 ( 5172 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7320 -23.0806 -23.0806 -23.0775 -23.0775 -11.5030 -11.5026 -11.5000 -11.4991 -10.4822 -10.4822 -10.4617 -10.4607 -10.4580 -10.4576 3.0831 3.0847 6.4467 6.4481 8.3011 8.3068 8.5393 8.5439 8.9280 8.9413 9.0645 9.0824 9.2303 9.2650 9.3038 9.3240 9.5303 9.5377 10.0797 10.0846 11.0134 11.0211 11.3528 11.3531 k = 0.5139-0.2646 0.4082 ( 5172 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7320 -23.0806 -23.0806 -23.0775 -23.0775 -11.5030 -11.5027 -11.4999 -11.4993 -10.4822 -10.4822 -10.4615 -10.4609 -10.4579 -10.4577 3.0821 3.0832 6.4408 6.4416 8.3285 8.3319 8.5597 8.5635 8.9358 8.9470 9.0569 9.0671 9.2384 9.2656 9.3157 9.3279 9.4941 9.5005 10.0713 10.0750 11.0184 11.0236 11.3607 11.3612 k = 0.5069-0.2766 0.4082 ( 5178 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7320 -23.0806 -23.0806 -23.0775 -23.0775 -11.5029 -11.5028 -11.4997 -11.4994 -10.4822 -10.4822 -10.4614 -10.4610 -10.4579 -10.4577 3.0816 3.0822 6.4372 6.4377 8.3432 8.3448 8.5775 8.5797 8.9373 8.9436 9.0555 9.0599 9.2471 9.2620 9.3284 9.3345 9.4680 9.4721 10.0666 10.0685 11.0220 11.0247 11.3649 11.3655 k = 0.5000-0.2887 0.4082 ( 5138 PWs) bands (ev): -47.0219 -47.0219 -23.7320 -23.7320 -23.0806 -23.0806 -23.0775 -23.0775 -11.5028 -11.5028 -11.4996 -11.4996 -10.4822 -10.4822 -10.4612 -10.4612 -10.4578 -10.4578 3.0816 3.0816 6.4362 6.4362 8.3482 8.3482 8.5853 8.5853 8.9389 8.9389 9.0569 9.0569 9.2554 9.2554 9.3363 9.3363 9.4594 9.4594 10.0657 10.0657 11.0241 11.0241 11.3657 11.3657 Writing output data file TiFeSn.save init_run : 0.84s CPU 0.50s WALL ( 1 calls) electrons : 359.68s CPU 240.29s WALL ( 1 calls) Called by init_run: wfcinit : 0.02s CPU 0.02s WALL ( 1 calls) potinit : 0.06s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 359.67s CPU 240.28s 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 0.00s WALL ( 1 calls) newd : 0.29s CPU 0.15s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.37s CPU 0.48s WALL ( 333 calls) cegterg : 329.84s CPU 222.59s WALL ( 560 calls) Called by sum_band: Called by *egterg: h_psi : 240.38s CPU 146.55s WALL ( 9934 calls) s_psi : 6.89s CPU 4.63s WALL ( 9934 calls) g_psi : 0.55s CPU 0.37s WALL ( 9041 calls) cdiaghg : 75.46s CPU 61.12s WALL ( 9374 calls) cegterg:over : 11.58s CPU 8.52s WALL ( 9041 calls) cegterg:upda : 10.01s CPU 7.66s WALL ( 9041 calls) cegterg:last : 4.91s CPU 3.89s WALL ( 1769 calls) cdiaghg:chol : 4.06s CPU 3.49s WALL ( 9374 calls) cdiaghg:inve : 2.30s CPU 1.87s WALL ( 9374 calls) cdiaghg:para : 4.19s CPU 3.38s WALL ( 18748 calls) Called by h_psi: h_psi:vloc : 220.76s CPU 132.85s WALL ( 9934 calls) h_psi:vnl : 19.05s CPU 13.37s WALL ( 9934 calls) add_vuspsi : 11.06s CPU 7.57s WALL ( 9934 calls) General routines calbec : 7.93s CPU 5.77s WALL ( 9934 calls) fft : 0.06s CPU 0.03s WALL ( 15 calls) fftw : 210.43s CPU 125.73s WALL ( 902876 calls) davcio : 0.47s CPU 0.89s WALL ( 666 calls) Parallel routines fft_scatter : 71.89s CPU 49.31s WALL ( 902891 calls) PWSCF : 6m15.92s CPU 4m28.13s WALL This run was terminated on: 3:53:57 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=