Program PWSCF v.5.4.0 starts on 12Feb2017 at 4: 1:49 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: ./Li2InRh.save/ file In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D renormalized file Rh.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 57 57 16 1703 1703 254 Max 58 58 17 1708 1708 256 Sum 2053 2053 583 61335 61335 9185 bravais-lattice index = 14 lattice parameter (alat) = 8.4985 a.u. unit-cell volume = 434.0181 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.498474 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 In read from file: /users/gautes/Pseudo/In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 52ff8a85f9af3f41268f91f861ab85bf Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1241 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 Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Rh read from file: /users/gautes/Pseudo/Rh.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 05b2c48bcc7a2cf2a48258d60087199c Pseudo is Ultrasoft + core correction, Zval = 17.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1233 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential In 13.00 114.81800 In( 1.00) Li 3.00 6.94100 Li( 1.00) Rh 17.00 102.90550 Rh( 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= 332 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 2) = ( 0.0100000 -0.0057735 0.0081650), wk = 0.0030120 k( 3) = ( 0.0200000 -0.0115470 0.0163299), wk = 0.0030120 k( 4) = ( 0.0300000 -0.0173205 0.0244949), wk = 0.0030120 k( 5) = ( 0.0400000 -0.0230940 0.0326599), wk = 0.0030120 k( 6) = ( 0.0500000 -0.0288675 0.0408248), wk = 0.0030120 k( 7) = ( 0.0600000 -0.0346410 0.0489898), wk = 0.0030120 k( 8) = ( 0.0700000 -0.0404145 0.0571548), wk = 0.0030120 k( 9) = ( 0.0800000 -0.0461880 0.0653197), wk = 0.0030120 k( 10) = ( 0.0900000 -0.0519615 0.0734847), wk = 0.0030120 k( 11) = ( 0.1000000 -0.0577350 0.0816497), wk = 0.0030120 k( 12) = ( 0.1100000 -0.0635085 0.0898146), wk = 0.0030120 k( 13) = ( 0.1200000 -0.0692820 0.0979796), wk = 0.0030120 k( 14) = ( 0.1300000 -0.0750555 0.1061446), wk = 0.0030120 k( 15) = ( 0.1400000 -0.0808290 0.1143095), wk = 0.0030120 k( 16) = ( 0.1500000 -0.0866025 0.1224745), wk = 0.0030120 k( 17) = ( 0.1600000 -0.0923760 0.1306395), wk = 0.0030120 k( 18) = ( 0.1700000 -0.0981495 0.1388044), wk = 0.0030120 k( 19) = ( 0.1800000 -0.1039230 0.1469694), wk = 0.0030120 k( 20) = ( 0.1900000 -0.1096966 0.1551344), wk = 0.0030120 k( 21) = ( 0.2000000 -0.1154701 0.1632993), wk = 0.0030120 k( 22) = ( 0.2100000 -0.1212436 0.1714643), wk = 0.0030120 k( 23) = ( 0.2200000 -0.1270171 0.1796292), wk = 0.0030120 k( 24) = ( 0.2300000 -0.1327906 0.1877942), wk = 0.0030120 k( 25) = ( 0.2400000 -0.1385641 0.1959592), wk = 0.0030120 k( 26) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0030120 k( 27) = ( 0.2600000 -0.1501111 0.2122891), wk = 0.0030120 k( 28) = ( 0.2700000 -0.1558846 0.2204541), wk = 0.0030120 k( 29) = ( 0.2800000 -0.1616581 0.2286190), wk = 0.0030120 k( 30) = ( 0.2900000 -0.1674316 0.2367840), wk = 0.0030120 k( 31) = ( 0.3000000 -0.1732051 0.2449490), wk = 0.0030120 k( 32) = ( 0.3100000 -0.1789786 0.2531139), wk = 0.0030120 k( 33) = ( 0.3200000 -0.1847521 0.2612789), wk = 0.0030120 k( 34) = ( 0.3300000 -0.1905256 0.2694439), wk = 0.0030120 k( 35) = ( 0.3400000 -0.1962991 0.2776088), wk = 0.0030120 k( 36) = ( 0.3500000 -0.2020726 0.2857738), wk = 0.0030120 k( 37) = ( 0.3600000 -0.2078461 0.2939388), wk = 0.0030120 k( 38) = ( 0.3700000 -0.2136196 0.3021037), wk = 0.0030120 k( 39) = ( 0.3800000 -0.2193931 0.3102687), wk = 0.0030120 k( 40) = ( 0.3900000 -0.2251666 0.3184337), wk = 0.0030120 k( 41) = ( 0.4000000 -0.2309401 0.3265986), wk = 0.0030120 k( 42) = ( 0.4100000 -0.2367136 0.3347636), wk = 0.0030120 k( 43) = ( 0.4200000 -0.2424871 0.3429286), wk = 0.0030120 k( 44) = ( 0.4300000 -0.2482606 0.3510935), wk = 0.0030120 k( 45) = ( 0.4400000 -0.2540341 0.3592585), wk = 0.0030120 k( 46) = ( 0.4500000 -0.2598076 0.3674235), wk = 0.0030120 k( 47) = ( 0.4600000 -0.2655811 0.3755884), wk = 0.0030120 k( 48) = ( 0.4700000 -0.2713546 0.3837534), wk = 0.0030120 k( 49) = ( 0.4800000 -0.2771281 0.3919184), wk = 0.0030120 k( 50) = ( 0.4900000 -0.2829016 0.4000833), wk = 0.0030120 k( 51) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0030120 k( 52) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0030120 k( 53) = ( 0.5000000 -0.2771281 0.4164133), wk = 0.0030120 k( 54) = ( 0.5000000 -0.2655811 0.4245782), wk = 0.0030120 k( 55) = ( 0.5000000 -0.2540341 0.4327432), wk = 0.0030120 k( 56) = ( 0.5000000 -0.2424871 0.4409082), wk = 0.0030120 k( 57) = ( 0.5000000 -0.2309401 0.4490731), wk = 0.0030120 k( 58) = ( 0.5000000 -0.2193931 0.4572381), wk = 0.0030120 k( 59) = ( 0.5000000 -0.2078461 0.4654031), wk = 0.0030120 k( 60) = ( 0.5000000 -0.1962991 0.4735680), wk = 0.0030120 k( 61) = ( 0.5000000 -0.1847521 0.4817330), wk = 0.0030120 k( 62) = ( 0.5000000 -0.1732051 0.4898979), wk = 0.0030120 k( 63) = ( 0.5000000 -0.1616581 0.4980629), wk = 0.0030120 k( 64) = ( 0.5000000 -0.1501111 0.5062279), wk = 0.0030120 k( 65) = ( 0.5000000 -0.1385641 0.5143928), wk = 0.0030120 k( 66) = ( 0.5000000 -0.1270171 0.5225578), wk = 0.0030120 k( 67) = ( 0.5000000 -0.1154701 0.5307228), wk = 0.0030120 k( 68) = ( 0.5000000 -0.1039230 0.5388877), wk = 0.0030120 k( 69) = ( 0.5000000 -0.0923760 0.5470527), wk = 0.0030120 k( 70) = ( 0.5000000 -0.0808290 0.5552177), wk = 0.0030120 k( 71) = ( 0.5000000 -0.0692820 0.5633826), wk = 0.0030120 k( 72) = ( 0.5000000 -0.0577350 0.5715476), wk = 0.0030120 k( 73) = ( 0.5000000 -0.0461880 0.5797126), wk = 0.0030120 k( 74) = ( 0.5000000 -0.0346410 0.5878775), wk = 0.0030120 k( 75) = ( 0.5000000 -0.0230940 0.5960425), wk = 0.0030120 k( 76) = ( 0.5000000 -0.0115470 0.6042075), wk = 0.0030120 k( 77) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0030120 k( 78) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0030120 k( 79) = ( 0.4930556 0.0120281 0.6123724), wk = 0.0030120 k( 80) = ( 0.4861111 0.0240563 0.6123724), wk = 0.0030120 k( 81) = ( 0.4791667 0.0360844 0.6123724), wk = 0.0030120 k( 82) = ( 0.4722222 0.0481125 0.6123724), wk = 0.0030120 k( 83) = ( 0.4652778 0.0601406 0.6123724), wk = 0.0030120 k( 84) = ( 0.4583333 0.0721688 0.6123724), wk = 0.0030120 k( 85) = ( 0.4513889 0.0841969 0.6123724), wk = 0.0030120 k( 86) = ( 0.4444444 0.0962251 0.6123724), wk = 0.0030120 k( 87) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0030120 k( 88) = ( 0.4305556 0.1202813 0.6123724), wk = 0.0030120 k( 89) = ( 0.4236111 0.1323094 0.6123724), wk = 0.0030120 k( 90) = ( 0.4166667 0.1443376 0.6123724), wk = 0.0030120 k( 91) = ( 0.4097222 0.1563657 0.6123724), wk = 0.0030120 k( 92) = ( 0.4027778 0.1683938 0.6123724), wk = 0.0030120 k( 93) = ( 0.3958333 0.1804220 0.6123724), wk = 0.0030120 k( 94) = ( 0.3888889 0.1924501 0.6123724), wk = 0.0030120 k( 95) = ( 0.3819444 0.2044782 0.6123724), wk = 0.0030120 k( 96) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0030120 k( 97) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0030120 k( 98) = ( 0.3679245 0.2124213 0.6008182), wk = 0.0030120 k( 99) = ( 0.3608491 0.2083363 0.5892640), wk = 0.0030120 k( 100) = ( 0.3537736 0.2042513 0.5777098), wk = 0.0030120 k( 101) = ( 0.3466981 0.2001662 0.5661557), wk = 0.0030120 k( 102) = ( 0.3396226 0.1960812 0.5546014), wk = 0.0030120 k( 103) = ( 0.3325472 0.1919962 0.5430473), wk = 0.0030120 k( 104) = ( 0.3254717 0.1879112 0.5314931), wk = 0.0030120 k( 105) = ( 0.3183962 0.1838261 0.5199389), wk = 0.0030120 k( 106) = ( 0.3113207 0.1797411 0.5083847), wk = 0.0030120 k( 107) = ( 0.3042453 0.1756561 0.4968305), wk = 0.0030120 k( 108) = ( 0.2971698 0.1715711 0.4852763), wk = 0.0030120 k( 109) = ( 0.2900943 0.1674860 0.4737221), wk = 0.0030120 k( 110) = ( 0.2830189 0.1634010 0.4621679), wk = 0.0030120 k( 111) = ( 0.2759434 0.1593160 0.4506137), wk = 0.0030120 k( 112) = ( 0.2688679 0.1552310 0.4390595), wk = 0.0030120 k( 113) = ( 0.2617925 0.1511459 0.4275053), wk = 0.0030120 k( 114) = ( 0.2547170 0.1470609 0.4159511), wk = 0.0030120 k( 115) = ( 0.2476415 0.1429759 0.4043969), wk = 0.0030120 k( 116) = ( 0.2405660 0.1388909 0.3928427), wk = 0.0030120 k( 117) = ( 0.2334906 0.1348058 0.3812885), wk = 0.0030120 k( 118) = ( 0.2264151 0.1307208 0.3697343), wk = 0.0030120 k( 119) = ( 0.2193396 0.1266358 0.3581801), wk = 0.0030120 k( 120) = ( 0.2122642 0.1225508 0.3466259), wk = 0.0030120 k( 121) = ( 0.2051887 0.1184657 0.3350717), wk = 0.0030120 k( 122) = ( 0.1981132 0.1143807 0.3235175), wk = 0.0030120 k( 123) = ( 0.1910377 0.1102957 0.3119633), wk = 0.0030120 k( 124) = ( 0.1839623 0.1062107 0.3004091), wk = 0.0030120 k( 125) = ( 0.1768868 0.1021256 0.2888549), wk = 0.0030120 k( 126) = ( 0.1698113 0.0980406 0.2773007), wk = 0.0030120 k( 127) = ( 0.1627358 0.0939556 0.2657465), wk = 0.0030120 k( 128) = ( 0.1556604 0.0898706 0.2541923), wk = 0.0030120 k( 129) = ( 0.1485849 0.0857855 0.2426381), wk = 0.0030120 k( 130) = ( 0.1415094 0.0817005 0.2310839), wk = 0.0030120 k( 131) = ( 0.1344340 0.0776155 0.2195297), wk = 0.0030120 k( 132) = ( 0.1273585 0.0735305 0.2079755), wk = 0.0030120 k( 133) = ( 0.1202830 0.0694454 0.1964213), wk = 0.0030120 k( 134) = ( 0.1132076 0.0653604 0.1848671), wk = 0.0030120 k( 135) = ( 0.1061321 0.0612754 0.1733129), wk = 0.0030120 k( 136) = ( 0.0990566 0.0571904 0.1617588), wk = 0.0030120 k( 137) = ( 0.0919811 0.0531053 0.1502046), wk = 0.0030120 k( 138) = ( 0.0849057 0.0490203 0.1386504), wk = 0.0030120 k( 139) = ( 0.0778302 0.0449353 0.1270962), wk = 0.0030120 k( 140) = ( 0.0707547 0.0408503 0.1155420), wk = 0.0030120 k( 141) = ( 0.0636793 0.0367652 0.1039878), wk = 0.0030120 k( 142) = ( 0.0566038 0.0326802 0.0924336), wk = 0.0030120 k( 143) = ( 0.0495283 0.0285952 0.0808794), wk = 0.0030120 k( 144) = ( 0.0424528 0.0245102 0.0693252), wk = 0.0030120 k( 145) = ( 0.0353774 0.0204251 0.0577710), wk = 0.0030120 k( 146) = ( 0.0283019 0.0163401 0.0462168), wk = 0.0030120 k( 147) = ( 0.0212264 0.0122551 0.0346626), wk = 0.0030120 k( 148) = ( 0.0141509 0.0081700 0.0231084), wk = 0.0030120 k( 149) = ( 0.0070755 0.0040850 0.0115542), wk = 0.0030120 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 152) = ( 0.0116279 0.0067134 0.0047471), wk = 0.0030120 k( 153) = ( 0.0232558 0.0134267 0.0094941), wk = 0.0030120 k( 154) = ( 0.0348837 0.0201401 0.0142412), wk = 0.0030120 k( 155) = ( 0.0465116 0.0268535 0.0189883), wk = 0.0030120 k( 156) = ( 0.0581395 0.0335669 0.0237354), wk = 0.0030120 k( 157) = ( 0.0697674 0.0402803 0.0284824), wk = 0.0030120 k( 158) = ( 0.0813954 0.0469936 0.0332295), wk = 0.0030120 k( 159) = ( 0.0930233 0.0537070 0.0379766), wk = 0.0030120 k( 160) = ( 0.1046512 0.0604204 0.0427237), wk = 0.0030120 k( 161) = ( 0.1162791 0.0671338 0.0474707), wk = 0.0030120 k( 162) = ( 0.1279070 0.0738471 0.0522178), wk = 0.0030120 k( 163) = ( 0.1395349 0.0805605 0.0569649), wk = 0.0030120 k( 164) = ( 0.1511628 0.0872739 0.0617120), wk = 0.0030120 k( 165) = ( 0.1627907 0.0939873 0.0664590), wk = 0.0030120 k( 166) = ( 0.1744186 0.1007006 0.0712061), wk = 0.0030120 k( 167) = ( 0.1860465 0.1074140 0.0759532), wk = 0.0030120 k( 168) = ( 0.1976744 0.1141274 0.0807002), wk = 0.0030120 k( 169) = ( 0.2093023 0.1208408 0.0854473), wk = 0.0030120 k( 170) = ( 0.2209302 0.1275541 0.0901944), wk = 0.0030120 k( 171) = ( 0.2325581 0.1342675 0.0949415), wk = 0.0030120 k( 172) = ( 0.2441860 0.1409809 0.0996885), wk = 0.0030120 k( 173) = ( 0.2558140 0.1476943 0.1044356), wk = 0.0030120 k( 174) = ( 0.2674419 0.1544076 0.1091827), wk = 0.0030120 k( 175) = ( 0.2790698 0.1611210 0.1139298), wk = 0.0030120 k( 176) = ( 0.2906977 0.1678344 0.1186768), wk = 0.0030120 k( 177) = ( 0.3023256 0.1745478 0.1234239), wk = 0.0030120 k( 178) = ( 0.3139535 0.1812611 0.1281710), wk = 0.0030120 k( 179) = ( 0.3255814 0.1879745 0.1329180), wk = 0.0030120 k( 180) = ( 0.3372093 0.1946879 0.1376651), wk = 0.0030120 k( 181) = ( 0.3488372 0.2014013 0.1424122), wk = 0.0030120 k( 182) = ( 0.3604651 0.2081146 0.1471593), wk = 0.0030120 k( 183) = ( 0.3720930 0.2148280 0.1519063), wk = 0.0030120 k( 184) = ( 0.3837209 0.2215414 0.1566534), wk = 0.0030120 k( 185) = ( 0.3953488 0.2282548 0.1614005), wk = 0.0030120 k( 186) = ( 0.4069767 0.2349681 0.1661476), wk = 0.0030120 k( 187) = ( 0.4186047 0.2416815 0.1708946), wk = 0.0030120 k( 188) = ( 0.4302326 0.2483949 0.1756417), wk = 0.0030120 k( 189) = ( 0.4418605 0.2551083 0.1803888), wk = 0.0030120 k( 190) = ( 0.4534884 0.2618216 0.1851359), wk = 0.0030120 k( 191) = ( 0.4651163 0.2685350 0.1898829), wk = 0.0030120 k( 192) = ( 0.4767442 0.2752484 0.1946300), wk = 0.0030120 k( 193) = ( 0.4883721 0.2819618 0.1993771), wk = 0.0030120 k( 194) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0030120 k( 195) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0030120 k( 196) = ( 0.5040323 0.2770350 0.2107088), wk = 0.0030120 k( 197) = ( 0.5080645 0.2653949 0.2172934), wk = 0.0030120 k( 198) = ( 0.5120968 0.2537548 0.2238781), wk = 0.0030120 k( 199) = ( 0.5161290 0.2421146 0.2304627), wk = 0.0030120 k( 200) = ( 0.5201613 0.2304745 0.2370474), wk = 0.0030120 k( 201) = ( 0.5241936 0.2188344 0.2436320), wk = 0.0030120 k( 202) = ( 0.5282258 0.2071943 0.2502167), wk = 0.0030120 k( 203) = ( 0.5322581 0.1955541 0.2568013), wk = 0.0030120 k( 204) = ( 0.5362903 0.1839140 0.2633860), wk = 0.0030120 k( 205) = ( 0.5403226 0.1722739 0.2699706), wk = 0.0030120 k( 206) = ( 0.5443548 0.1606337 0.2765553), wk = 0.0030120 k( 207) = ( 0.5483871 0.1489936 0.2831399), wk = 0.0030120 k( 208) = ( 0.5524193 0.1373535 0.2897246), wk = 0.0030120 k( 209) = ( 0.5564516 0.1257134 0.2963092), wk = 0.0030120 k( 210) = ( 0.5604839 0.1140732 0.3028939), wk = 0.0030120 k( 211) = ( 0.5645161 0.1024331 0.3094785), wk = 0.0030120 k( 212) = ( 0.5685484 0.0907930 0.3160632), wk = 0.0030120 k( 213) = ( 0.5725807 0.0791529 0.3226478), wk = 0.0030120 k( 214) = ( 0.5766129 0.0675127 0.3292325), wk = 0.0030120 k( 215) = ( 0.5806452 0.0558726 0.3358171), wk = 0.0030120 k( 216) = ( 0.5846774 0.0442325 0.3424018), wk = 0.0030120 k( 217) = ( 0.5887097 0.0325924 0.3489864), wk = 0.0030120 k( 218) = ( 0.5927419 0.0209522 0.3555711), wk = 0.0030120 k( 219) = ( 0.5967742 0.0093121 0.3621557), wk = 0.0030120 k( 220) = ( 0.6008064 -0.0023280 0.3687404), wk = 0.0030120 k( 221) = ( 0.6048387 -0.0139682 0.3753250), wk = 0.0030120 k( 222) = ( 0.6088710 -0.0256083 0.3819097), wk = 0.0030120 k( 223) = ( 0.6129032 -0.0372484 0.3884943), wk = 0.0030120 k( 224) = ( 0.6169355 -0.0488885 0.3950790), wk = 0.0030120 k( 225) = ( 0.6209677 -0.0605287 0.4016636), wk = 0.0030120 k( 226) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0030120 k( 227) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0030120 k( 228) = ( 0.6180556 -0.0681594 0.4195885), wk = 0.0030120 k( 229) = ( 0.6111111 -0.0641500 0.4309288), wk = 0.0030120 k( 230) = ( 0.6041667 -0.0601407 0.4422690), wk = 0.0030120 k( 231) = ( 0.5972222 -0.0561313 0.4536092), wk = 0.0030120 k( 232) = ( 0.5902778 -0.0521219 0.4649494), wk = 0.0030120 k( 233) = ( 0.5833333 -0.0481125 0.4762897), wk = 0.0030120 k( 234) = ( 0.5763889 -0.0441031 0.4876299), wk = 0.0030120 k( 235) = ( 0.5694444 -0.0400938 0.4989701), wk = 0.0030120 k( 236) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0030120 k( 237) = ( 0.5555556 -0.0320750 0.5216506), wk = 0.0030120 k( 238) = ( 0.5486111 -0.0280656 0.5329908), wk = 0.0030120 k( 239) = ( 0.5416667 -0.0240563 0.5443310), wk = 0.0030120 k( 240) = ( 0.5347222 -0.0200469 0.5556713), wk = 0.0030120 k( 241) = ( 0.5277778 -0.0160375 0.5670115), wk = 0.0030120 k( 242) = ( 0.5208333 -0.0120281 0.5783518), wk = 0.0030120 k( 243) = ( 0.5138889 -0.0080188 0.5896920), wk = 0.0030120 k( 244) = ( 0.5069444 -0.0040094 0.6010322), wk = 0.0030120 k( 245) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0030120 k( 246) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0030120 k( 247) = ( 0.5000000 0.0082479 0.6007082), wk = 0.0030120 k( 248) = ( 0.5000000 0.0164957 0.5890440), wk = 0.0030120 k( 249) = ( 0.5000000 0.0247436 0.5773797), wk = 0.0030120 k( 250) = ( 0.5000000 0.0329914 0.5657155), wk = 0.0030120 k( 251) = ( 0.5000000 0.0412393 0.5540512), wk = 0.0030120 k( 252) = ( 0.5000000 0.0494872 0.5423870), wk = 0.0030120 k( 253) = ( 0.5000000 0.0577350 0.5307228), wk = 0.0030120 k( 254) = ( 0.5000000 0.0659829 0.5190585), wk = 0.0030120 k( 255) = ( 0.5000000 0.0742307 0.5073943), wk = 0.0030120 k( 256) = ( 0.5000000 0.0824786 0.4957301), wk = 0.0030120 k( 257) = ( 0.5000000 0.0907265 0.4840658), wk = 0.0030120 k( 258) = ( 0.5000000 0.0989743 0.4724016), wk = 0.0030120 k( 259) = ( 0.5000000 0.1072222 0.4607374), wk = 0.0030120 k( 260) = ( 0.5000000 0.1154701 0.4490731), wk = 0.0030120 k( 261) = ( 0.5000000 0.1237179 0.4374089), wk = 0.0030120 k( 262) = ( 0.5000000 0.1319658 0.4257447), wk = 0.0030120 k( 263) = ( 0.5000000 0.1402136 0.4140804), wk = 0.0030120 k( 264) = ( 0.5000000 0.1484615 0.4024162), wk = 0.0030120 k( 265) = ( 0.5000000 0.1567094 0.3907519), wk = 0.0030120 k( 266) = ( 0.5000000 0.1649572 0.3790877), wk = 0.0030120 k( 267) = ( 0.5000000 0.1732051 0.3674235), wk = 0.0030120 k( 268) = ( 0.5000000 0.1814529 0.3557592), wk = 0.0030120 k( 269) = ( 0.5000000 0.1897008 0.3440950), wk = 0.0030120 k( 270) = ( 0.5000000 0.1979487 0.3324308), wk = 0.0030120 k( 271) = ( 0.5000000 0.2061965 0.3207665), wk = 0.0030120 k( 272) = ( 0.5000000 0.2144444 0.3091023), wk = 0.0030120 k( 273) = ( 0.5000000 0.2226922 0.2974380), wk = 0.0030120 k( 274) = ( 0.5000000 0.2309401 0.2857738), wk = 0.0030120 k( 275) = ( 0.5000000 0.2391880 0.2741096), wk = 0.0030120 k( 276) = ( 0.5000000 0.2474358 0.2624453), wk = 0.0030120 k( 277) = ( 0.5000000 0.2556837 0.2507811), wk = 0.0030120 k( 278) = ( 0.5000000 0.2639316 0.2391169), wk = 0.0030120 k( 279) = ( 0.5000000 0.2721794 0.2274526), wk = 0.0030120 k( 280) = ( 0.5000000 0.2804273 0.2157884), wk = 0.0030120 k( 281) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0030120 k( 282) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0030120 k( 283) = ( 0.4959677 0.2863471 0.2172935), wk = 0.0030120 k( 284) = ( 0.4919355 0.2840191 0.2304627), wk = 0.0030120 k( 285) = ( 0.4879032 0.2816911 0.2436320), wk = 0.0030120 k( 286) = ( 0.4838710 0.2793630 0.2568013), wk = 0.0030120 k( 287) = ( 0.4798387 0.2770350 0.2699706), wk = 0.0030120 k( 288) = ( 0.4758064 0.2747070 0.2831399), wk = 0.0030120 k( 289) = ( 0.4717742 0.2723790 0.2963092), wk = 0.0030120 k( 290) = ( 0.4677419 0.2700509 0.3094785), wk = 0.0030120 k( 291) = ( 0.4637097 0.2677229 0.3226478), wk = 0.0030120 k( 292) = ( 0.4596774 0.2653949 0.3358171), wk = 0.0030120 k( 293) = ( 0.4556452 0.2630669 0.3489864), wk = 0.0030120 k( 294) = ( 0.4516129 0.2607388 0.3621557), wk = 0.0030120 k( 295) = ( 0.4475807 0.2584108 0.3753250), wk = 0.0030120 k( 296) = ( 0.4435484 0.2560828 0.3884943), wk = 0.0030120 k( 297) = ( 0.4395161 0.2537548 0.4016636), wk = 0.0030120 k( 298) = ( 0.4354839 0.2514267 0.4148329), wk = 0.0030120 k( 299) = ( 0.4314516 0.2490987 0.4280022), wk = 0.0030120 k( 300) = ( 0.4274193 0.2467707 0.4411715), wk = 0.0030120 k( 301) = ( 0.4233871 0.2444427 0.4543408), wk = 0.0030120 k( 302) = ( 0.4193548 0.2421146 0.4675101), wk = 0.0030120 k( 303) = ( 0.4153226 0.2397866 0.4806794), wk = 0.0030120 k( 304) = ( 0.4112903 0.2374586 0.4938487), wk = 0.0030120 k( 305) = ( 0.4072581 0.2351306 0.5070180), wk = 0.0030120 k( 306) = ( 0.4032258 0.2328025 0.5201873), wk = 0.0030120 k( 307) = ( 0.3991936 0.2304745 0.5333566), wk = 0.0030120 k( 308) = ( 0.3951613 0.2281465 0.5465259), wk = 0.0030120 k( 309) = ( 0.3911290 0.2258185 0.5596952), wk = 0.0030120 k( 310) = ( 0.3870968 0.2234904 0.5728645), wk = 0.0030120 k( 311) = ( 0.3830645 0.2211624 0.5860338), wk = 0.0030120 k( 312) = ( 0.3790323 0.2188344 0.5992031), wk = 0.0030120 k( 313) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0030120 k( 314) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0030120 k( 315) = ( 0.6180556 -0.0841969 0.4082483), wk = 0.0030120 k( 316) = ( 0.6111111 -0.0962250 0.4082483), wk = 0.0030120 k( 317) = ( 0.6041667 -0.1082532 0.4082483), wk = 0.0030120 k( 318) = ( 0.5972222 -0.1202813 0.4082483), wk = 0.0030120 k( 319) = ( 0.5902778 -0.1323094 0.4082483), wk = 0.0030120 k( 320) = ( 0.5833333 -0.1443376 0.4082483), wk = 0.0030120 k( 321) = ( 0.5763889 -0.1563657 0.4082483), wk = 0.0030120 k( 322) = ( 0.5694444 -0.1683938 0.4082483), wk = 0.0030120 k( 323) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0030120 k( 324) = ( 0.5555556 -0.1924501 0.4082483), wk = 0.0030120 k( 325) = ( 0.5486111 -0.2044782 0.4082483), wk = 0.0030120 k( 326) = ( 0.5416667 -0.2165064 0.4082483), wk = 0.0030120 k( 327) = ( 0.5347222 -0.2285345 0.4082483), wk = 0.0030120 k( 328) = ( 0.5277778 -0.2405626 0.4082483), wk = 0.0030120 k( 329) = ( 0.5208333 -0.2525907 0.4082483), wk = 0.0030120 k( 330) = ( 0.5138889 -0.2646189 0.4082483), wk = 0.0030120 k( 331) = ( 0.5069444 -0.2766470 0.4082483), wk = 0.0030120 k( 332) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0030120 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 2) = ( 0.0100000 0.0000000 0.0100000), wk = 0.0030120 k( 3) = ( 0.0200000 0.0000000 0.0200000), wk = 0.0030120 k( 4) = ( 0.0300000 0.0000000 0.0300000), wk = 0.0030120 k( 5) = ( 0.0400000 0.0000000 0.0400000), wk = 0.0030120 k( 6) = ( 0.0500000 0.0000000 0.0500000), wk = 0.0030120 k( 7) = ( 0.0600000 0.0000000 0.0600000), wk = 0.0030120 k( 8) = ( 0.0700000 0.0000000 0.0700000), wk = 0.0030120 k( 9) = ( 0.0800000 0.0000000 0.0800000), wk = 0.0030120 k( 10) = ( 0.0900000 0.0000000 0.0900000), wk = 0.0030120 k( 11) = ( 0.1000000 0.0000000 0.1000000), wk = 0.0030120 k( 12) = ( 0.1100000 0.0000000 0.1100000), wk = 0.0030120 k( 13) = ( 0.1200000 0.0000000 0.1200000), wk = 0.0030120 k( 14) = ( 0.1300000 0.0000000 0.1300000), wk = 0.0030120 k( 15) = ( 0.1400000 0.0000000 0.1400000), wk = 0.0030120 k( 16) = ( 0.1500000 0.0000000 0.1500000), wk = 0.0030120 k( 17) = ( 0.1600000 0.0000000 0.1600000), wk = 0.0030120 k( 18) = ( 0.1700000 0.0000000 0.1700000), wk = 0.0030120 k( 19) = ( 0.1800000 0.0000000 0.1800000), wk = 0.0030120 k( 20) = ( 0.1900000 0.0000000 0.1900000), wk = 0.0030120 k( 21) = ( 0.2000000 0.0000000 0.2000000), wk = 0.0030120 k( 22) = ( 0.2100000 0.0000000 0.2100000), wk = 0.0030120 k( 23) = ( 0.2200000 0.0000000 0.2200000), wk = 0.0030120 k( 24) = ( 0.2300000 0.0000000 0.2300000), wk = 0.0030120 k( 25) = ( 0.2400000 0.0000000 0.2400000), wk = 0.0030120 k( 26) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0030120 k( 27) = ( 0.2600000 0.0000000 0.2600000), wk = 0.0030120 k( 28) = ( 0.2700000 0.0000000 0.2700000), wk = 0.0030120 k( 29) = ( 0.2800000 0.0000000 0.2800000), wk = 0.0030120 k( 30) = ( 0.2900000 0.0000000 0.2900000), wk = 0.0030120 k( 31) = ( 0.3000000 0.0000000 0.3000000), wk = 0.0030120 k( 32) = ( 0.3100000 0.0000000 0.3100000), wk = 0.0030120 k( 33) = ( 0.3200000 0.0000000 0.3200000), wk = 0.0030120 k( 34) = ( 0.3300000 0.0000000 0.3300000), wk = 0.0030120 k( 35) = ( 0.3400000 0.0000000 0.3400000), wk = 0.0030120 k( 36) = ( 0.3500000 0.0000000 0.3500000), wk = 0.0030120 k( 37) = ( 0.3600000 0.0000000 0.3600000), wk = 0.0030120 k( 38) = ( 0.3700000 0.0000000 0.3700000), wk = 0.0030120 k( 39) = ( 0.3800000 0.0000000 0.3800000), wk = 0.0030120 k( 40) = ( 0.3900000 0.0000000 0.3900000), wk = 0.0030120 k( 41) = ( 0.4000000 0.0000000 0.4000000), wk = 0.0030120 k( 42) = ( 0.4100000 0.0000000 0.4100000), wk = 0.0030120 k( 43) = ( 0.4200000 0.0000000 0.4200000), wk = 0.0030120 k( 44) = ( 0.4300000 0.0000000 0.4300000), wk = 0.0030120 k( 45) = ( 0.4400000 0.0000000 0.4400000), wk = 0.0030120 k( 46) = ( 0.4500000 0.0000000 0.4500000), wk = 0.0030120 k( 47) = ( 0.4600000 0.0000000 0.4600000), wk = 0.0030120 k( 48) = ( 0.4700000 0.0000000 0.4700000), wk = 0.0030120 k( 49) = ( 0.4800000 0.0000000 0.4800000), wk = 0.0030120 k( 50) = ( 0.4900000 0.0000000 0.4900000), wk = 0.0030120 k( 51) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030120 k( 52) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030120 k( 53) = ( 0.5000000 0.0100000 0.5100000), wk = 0.0030120 k( 54) = ( 0.5000000 0.0200000 0.5200000), wk = 0.0030120 k( 55) = ( 0.5000000 0.0300000 0.5300000), wk = 0.0030120 k( 56) = ( 0.5000000 0.0400000 0.5400000), wk = 0.0030120 k( 57) = ( 0.5000000 0.0500000 0.5500000), wk = 0.0030120 k( 58) = ( 0.5000000 0.0600000 0.5600000), wk = 0.0030120 k( 59) = ( 0.5000000 0.0700000 0.5700000), wk = 0.0030120 k( 60) = ( 0.5000000 0.0800000 0.5800000), wk = 0.0030120 k( 61) = ( 0.5000000 0.0900000 0.5900000), wk = 0.0030120 k( 62) = ( 0.5000000 0.1000000 0.6000000), wk = 0.0030120 k( 63) = ( 0.5000000 0.1100000 0.6100000), wk = 0.0030120 k( 64) = ( 0.5000000 0.1200000 0.6200000), wk = 0.0030120 k( 65) = ( 0.5000000 0.1300000 0.6300000), wk = 0.0030120 k( 66) = ( 0.5000000 0.1400000 0.6400000), wk = 0.0030120 k( 67) = ( 0.5000000 0.1500000 0.6500000), wk = 0.0030120 k( 68) = ( 0.5000000 0.1600000 0.6600000), wk = 0.0030120 k( 69) = ( 0.5000000 0.1700000 0.6700000), wk = 0.0030120 k( 70) = ( 0.5000000 0.1800000 0.6800000), wk = 0.0030120 k( 71) = ( 0.5000000 0.1900000 0.6900000), wk = 0.0030120 k( 72) = ( 0.5000000 0.2000000 0.7000000), wk = 0.0030120 k( 73) = ( 0.5000000 0.2100000 0.7100000), wk = 0.0030120 k( 74) = ( 0.5000000 0.2200000 0.7200000), wk = 0.0030120 k( 75) = ( 0.5000000 0.2300000 0.7300000), wk = 0.0030120 k( 76) = ( 0.5000000 0.2400000 0.7400000), wk = 0.0030120 k( 77) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0030120 k( 78) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0030120 k( 79) = ( 0.4930556 0.2569444 0.7500000), wk = 0.0030120 k( 80) = ( 0.4861111 0.2638889 0.7500000), wk = 0.0030120 k( 81) = ( 0.4791667 0.2708333 0.7500000), wk = 0.0030120 k( 82) = ( 0.4722222 0.2777778 0.7500000), wk = 0.0030120 k( 83) = ( 0.4652778 0.2847222 0.7500000), wk = 0.0030120 k( 84) = ( 0.4583333 0.2916667 0.7500000), wk = 0.0030120 k( 85) = ( 0.4513889 0.2986111 0.7500000), wk = 0.0030120 k( 86) = ( 0.4444444 0.3055556 0.7500000), wk = 0.0030120 k( 87) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0030120 k( 88) = ( 0.4305556 0.3194444 0.7500000), wk = 0.0030120 k( 89) = ( 0.4236111 0.3263889 0.7500000), wk = 0.0030120 k( 90) = ( 0.4166667 0.3333333 0.7500000), wk = 0.0030120 k( 91) = ( 0.4097222 0.3402778 0.7500000), wk = 0.0030120 k( 92) = ( 0.4027778 0.3472222 0.7500000), wk = 0.0030120 k( 93) = ( 0.3958333 0.3541667 0.7500000), wk = 0.0030120 k( 94) = ( 0.3888889 0.3611111 0.7500000), wk = 0.0030120 k( 95) = ( 0.3819444 0.3680556 0.7500000), wk = 0.0030120 k( 96) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0030120 k( 97) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0030120 k( 98) = ( 0.3679245 0.3679245 0.7358491), wk = 0.0030120 k( 99) = ( 0.3608491 0.3608491 0.7216981), wk = 0.0030120 k( 100) = ( 0.3537736 0.3537736 0.7075472), wk = 0.0030120 k( 101) = ( 0.3466981 0.3466981 0.6933962), wk = 0.0030120 k( 102) = ( 0.3396226 0.3396226 0.6792453), wk = 0.0030120 k( 103) = ( 0.3325472 0.3325472 0.6650943), wk = 0.0030120 k( 104) = ( 0.3254717 0.3254717 0.6509434), wk = 0.0030120 k( 105) = ( 0.3183962 0.3183962 0.6367924), wk = 0.0030120 k( 106) = ( 0.3113207 0.3113207 0.6226415), wk = 0.0030120 k( 107) = ( 0.3042453 0.3042453 0.6084906), wk = 0.0030120 k( 108) = ( 0.2971698 0.2971698 0.5943396), wk = 0.0030120 k( 109) = ( 0.2900943 0.2900943 0.5801887), wk = 0.0030120 k( 110) = ( 0.2830189 0.2830189 0.5660377), wk = 0.0030120 k( 111) = ( 0.2759434 0.2759434 0.5518868), wk = 0.0030120 k( 112) = ( 0.2688679 0.2688679 0.5377359), wk = 0.0030120 k( 113) = ( 0.2617925 0.2617925 0.5235849), wk = 0.0030120 k( 114) = ( 0.2547170 0.2547170 0.5094340), wk = 0.0030120 k( 115) = ( 0.2476415 0.2476415 0.4952830), wk = 0.0030120 k( 116) = ( 0.2405660 0.2405660 0.4811321), wk = 0.0030120 k( 117) = ( 0.2334906 0.2334906 0.4669811), wk = 0.0030120 k( 118) = ( 0.2264151 0.2264151 0.4528302), wk = 0.0030120 k( 119) = ( 0.2193396 0.2193396 0.4386793), wk = 0.0030120 k( 120) = ( 0.2122642 0.2122642 0.4245283), wk = 0.0030120 k( 121) = ( 0.2051887 0.2051887 0.4103774), wk = 0.0030120 k( 122) = ( 0.1981132 0.1981132 0.3962264), wk = 0.0030120 k( 123) = ( 0.1910377 0.1910377 0.3820755), wk = 0.0030120 k( 124) = ( 0.1839623 0.1839623 0.3679245), wk = 0.0030120 k( 125) = ( 0.1768868 0.1768868 0.3537736), wk = 0.0030120 k( 126) = ( 0.1698113 0.1698113 0.3396226), wk = 0.0030120 k( 127) = ( 0.1627358 0.1627358 0.3254717), wk = 0.0030120 k( 128) = ( 0.1556604 0.1556604 0.3113207), wk = 0.0030120 k( 129) = ( 0.1485849 0.1485849 0.2971698), wk = 0.0030120 k( 130) = ( 0.1415094 0.1415094 0.2830189), wk = 0.0030120 k( 131) = ( 0.1344340 0.1344340 0.2688679), wk = 0.0030120 k( 132) = ( 0.1273585 0.1273585 0.2547170), wk = 0.0030120 k( 133) = ( 0.1202830 0.1202830 0.2405660), wk = 0.0030120 k( 134) = ( 0.1132076 0.1132076 0.2264151), wk = 0.0030120 k( 135) = ( 0.1061321 0.1061321 0.2122642), wk = 0.0030120 k( 136) = ( 0.0990566 0.0990566 0.1981132), wk = 0.0030120 k( 137) = ( 0.0919811 0.0919811 0.1839623), wk = 0.0030120 k( 138) = ( 0.0849057 0.0849057 0.1698113), wk = 0.0030120 k( 139) = ( 0.0778302 0.0778302 0.1556604), wk = 0.0030120 k( 140) = ( 0.0707547 0.0707547 0.1415094), wk = 0.0030120 k( 141) = ( 0.0636793 0.0636793 0.1273585), wk = 0.0030120 k( 142) = ( 0.0566038 0.0566038 0.1132076), wk = 0.0030120 k( 143) = ( 0.0495283 0.0495283 0.0990566), wk = 0.0030120 k( 144) = ( 0.0424528 0.0424528 0.0849057), wk = 0.0030120 k( 145) = ( 0.0353774 0.0353774 0.0707547), wk = 0.0030120 k( 146) = ( 0.0283019 0.0283019 0.0566038), wk = 0.0030120 k( 147) = ( 0.0212264 0.0212264 0.0424528), wk = 0.0030120 k( 148) = ( 0.0141509 0.0141509 0.0283019), wk = 0.0030120 k( 149) = ( 0.0070755 0.0070755 0.0141509), wk = 0.0030120 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 152) = ( 0.0116279 0.0116279 0.0116279), wk = 0.0030120 k( 153) = ( 0.0232558 0.0232558 0.0232558), wk = 0.0030120 k( 154) = ( 0.0348837 0.0348837 0.0348837), wk = 0.0030120 k( 155) = ( 0.0465116 0.0465116 0.0465116), wk = 0.0030120 k( 156) = ( 0.0581395 0.0581395 0.0581395), wk = 0.0030120 k( 157) = ( 0.0697674 0.0697674 0.0697674), wk = 0.0030120 k( 158) = ( 0.0813954 0.0813954 0.0813954), wk = 0.0030120 k( 159) = ( 0.0930233 0.0930233 0.0930233), wk = 0.0030120 k( 160) = ( 0.1046512 0.1046512 0.1046512), wk = 0.0030120 k( 161) = ( 0.1162791 0.1162791 0.1162791), wk = 0.0030120 k( 162) = ( 0.1279070 0.1279070 0.1279070), wk = 0.0030120 k( 163) = ( 0.1395349 0.1395349 0.1395349), wk = 0.0030120 k( 164) = ( 0.1511628 0.1511628 0.1511628), wk = 0.0030120 k( 165) = ( 0.1627907 0.1627907 0.1627907), wk = 0.0030120 k( 166) = ( 0.1744186 0.1744186 0.1744186), wk = 0.0030120 k( 167) = ( 0.1860465 0.1860465 0.1860465), wk = 0.0030120 k( 168) = ( 0.1976744 0.1976744 0.1976744), wk = 0.0030120 k( 169) = ( 0.2093023 0.2093023 0.2093023), wk = 0.0030120 k( 170) = ( 0.2209302 0.2209302 0.2209302), wk = 0.0030120 k( 171) = ( 0.2325581 0.2325581 0.2325581), wk = 0.0030120 k( 172) = ( 0.2441860 0.2441860 0.2441860), wk = 0.0030120 k( 173) = ( 0.2558140 0.2558140 0.2558140), wk = 0.0030120 k( 174) = ( 0.2674419 0.2674419 0.2674419), wk = 0.0030120 k( 175) = ( 0.2790698 0.2790698 0.2790698), wk = 0.0030120 k( 176) = ( 0.2906977 0.2906977 0.2906977), wk = 0.0030120 k( 177) = ( 0.3023256 0.3023256 0.3023256), wk = 0.0030120 k( 178) = ( 0.3139535 0.3139535 0.3139535), wk = 0.0030120 k( 179) = ( 0.3255814 0.3255814 0.3255814), wk = 0.0030120 k( 180) = ( 0.3372093 0.3372093 0.3372093), wk = 0.0030120 k( 181) = ( 0.3488372 0.3488372 0.3488372), wk = 0.0030120 k( 182) = ( 0.3604651 0.3604651 0.3604651), wk = 0.0030120 k( 183) = ( 0.3720930 0.3720930 0.3720930), wk = 0.0030120 k( 184) = ( 0.3837209 0.3837209 0.3837209), wk = 0.0030120 k( 185) = ( 0.3953488 0.3953488 0.3953488), wk = 0.0030120 k( 186) = ( 0.4069767 0.4069767 0.4069767), wk = 0.0030120 k( 187) = ( 0.4186047 0.4186047 0.4186047), wk = 0.0030120 k( 188) = ( 0.4302326 0.4302326 0.4302326), wk = 0.0030120 k( 189) = ( 0.4418605 0.4418605 0.4418605), wk = 0.0030120 k( 190) = ( 0.4534884 0.4534884 0.4534884), wk = 0.0030120 k( 191) = ( 0.4651163 0.4651163 0.4651163), wk = 0.0030120 k( 192) = ( 0.4767442 0.4767442 0.4767442), wk = 0.0030120 k( 193) = ( 0.4883721 0.4883721 0.4883721), wk = 0.0030120 k( 194) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030120 k( 195) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030120 k( 196) = ( 0.5040323 0.4919355 0.5040323), wk = 0.0030120 k( 197) = ( 0.5080645 0.4838710 0.5080645), wk = 0.0030120 k( 198) = ( 0.5120968 0.4758065 0.5120968), wk = 0.0030120 k( 199) = ( 0.5161290 0.4677419 0.5161290), wk = 0.0030120 k( 200) = ( 0.5201613 0.4596774 0.5201613), wk = 0.0030120 k( 201) = ( 0.5241936 0.4516129 0.5241936), wk = 0.0030120 k( 202) = ( 0.5282258 0.4435484 0.5282258), wk = 0.0030120 k( 203) = ( 0.5322581 0.4354839 0.5322581), wk = 0.0030120 k( 204) = ( 0.5362903 0.4274193 0.5362903), wk = 0.0030120 k( 205) = ( 0.5403226 0.4193548 0.5403226), wk = 0.0030120 k( 206) = ( 0.5443548 0.4112903 0.5443548), wk = 0.0030120 k( 207) = ( 0.5483871 0.4032258 0.5483871), wk = 0.0030120 k( 208) = ( 0.5524193 0.3951613 0.5524193), wk = 0.0030120 k( 209) = ( 0.5564516 0.3870968 0.5564516), wk = 0.0030120 k( 210) = ( 0.5604839 0.3790323 0.5604839), wk = 0.0030120 k( 211) = ( 0.5645161 0.3709677 0.5645161), wk = 0.0030120 k( 212) = ( 0.5685484 0.3629032 0.5685484), wk = 0.0030120 k( 213) = ( 0.5725807 0.3548387 0.5725807), wk = 0.0030120 k( 214) = ( 0.5766129 0.3467742 0.5766129), wk = 0.0030120 k( 215) = ( 0.5806452 0.3387097 0.5806452), wk = 0.0030120 k( 216) = ( 0.5846774 0.3306452 0.5846774), wk = 0.0030120 k( 217) = ( 0.5887097 0.3225807 0.5887097), wk = 0.0030120 k( 218) = ( 0.5927419 0.3145161 0.5927419), wk = 0.0030120 k( 219) = ( 0.5967742 0.3064516 0.5967742), wk = 0.0030120 k( 220) = ( 0.6008064 0.2983871 0.6008064), wk = 0.0030120 k( 221) = ( 0.6048387 0.2903226 0.6048387), wk = 0.0030120 k( 222) = ( 0.6088710 0.2822581 0.6088710), wk = 0.0030120 k( 223) = ( 0.6129032 0.2741936 0.6129032), wk = 0.0030120 k( 224) = ( 0.6169355 0.2661290 0.6169355), wk = 0.0030120 k( 225) = ( 0.6209677 0.2580645 0.6209677), wk = 0.0030120 k( 226) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0030120 k( 227) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0030120 k( 228) = ( 0.6180556 0.2500000 0.6319444), wk = 0.0030120 k( 229) = ( 0.6111111 0.2500000 0.6388889), wk = 0.0030120 k( 230) = ( 0.6041667 0.2500000 0.6458333), wk = 0.0030120 k( 231) = ( 0.5972222 0.2500000 0.6527778), wk = 0.0030120 k( 232) = ( 0.5902778 0.2500000 0.6597222), wk = 0.0030120 k( 233) = ( 0.5833333 0.2500000 0.6666667), wk = 0.0030120 k( 234) = ( 0.5763889 0.2500000 0.6736111), wk = 0.0030120 k( 235) = ( 0.5694444 0.2500000 0.6805556), wk = 0.0030120 k( 236) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0030120 k( 237) = ( 0.5555556 0.2500000 0.6944444), wk = 0.0030120 k( 238) = ( 0.5486111 0.2500000 0.7013889), wk = 0.0030120 k( 239) = ( 0.5416667 0.2500000 0.7083333), wk = 0.0030120 k( 240) = ( 0.5347222 0.2500000 0.7152778), wk = 0.0030120 k( 241) = ( 0.5277778 0.2500000 0.7222222), wk = 0.0030120 k( 242) = ( 0.5208333 0.2500000 0.7291667), wk = 0.0030120 k( 243) = ( 0.5138889 0.2500000 0.7361111), wk = 0.0030120 k( 244) = ( 0.5069444 0.2500000 0.7430556), wk = 0.0030120 k( 245) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0030120 k( 246) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0030120 k( 247) = ( 0.5000000 0.2571429 0.7428571), wk = 0.0030120 k( 248) = ( 0.5000000 0.2642857 0.7357143), wk = 0.0030120 k( 249) = ( 0.5000000 0.2714286 0.7285714), wk = 0.0030120 k( 250) = ( 0.5000000 0.2785714 0.7214286), wk = 0.0030120 k( 251) = ( 0.5000000 0.2857143 0.7142857), wk = 0.0030120 k( 252) = ( 0.5000000 0.2928571 0.7071429), wk = 0.0030120 k( 253) = ( 0.5000000 0.3000000 0.7000000), wk = 0.0030120 k( 254) = ( 0.5000000 0.3071429 0.6928571), wk = 0.0030120 k( 255) = ( 0.5000000 0.3142857 0.6857143), wk = 0.0030120 k( 256) = ( 0.5000000 0.3214286 0.6785714), wk = 0.0030120 k( 257) = ( 0.5000000 0.3285714 0.6714286), wk = 0.0030120 k( 258) = ( 0.5000000 0.3357143 0.6642857), wk = 0.0030120 k( 259) = ( 0.5000000 0.3428571 0.6571429), wk = 0.0030120 k( 260) = ( 0.5000000 0.3500000 0.6500000), wk = 0.0030120 k( 261) = ( 0.5000000 0.3571429 0.6428571), wk = 0.0030120 k( 262) = ( 0.5000000 0.3642857 0.6357143), wk = 0.0030120 k( 263) = ( 0.5000000 0.3714286 0.6285714), wk = 0.0030120 k( 264) = ( 0.5000000 0.3785714 0.6214286), wk = 0.0030120 k( 265) = ( 0.5000000 0.3857143 0.6142857), wk = 0.0030120 k( 266) = ( 0.5000000 0.3928571 0.6071429), wk = 0.0030120 k( 267) = ( 0.5000000 0.4000000 0.6000000), wk = 0.0030120 k( 268) = ( 0.5000000 0.4071429 0.5928571), wk = 0.0030120 k( 269) = ( 0.5000000 0.4142857 0.5857143), wk = 0.0030120 k( 270) = ( 0.5000000 0.4214286 0.5785714), wk = 0.0030120 k( 271) = ( 0.5000000 0.4285714 0.5714286), wk = 0.0030120 k( 272) = ( 0.5000000 0.4357143 0.5642857), wk = 0.0030120 k( 273) = ( 0.5000000 0.4428571 0.5571429), wk = 0.0030120 k( 274) = ( 0.5000000 0.4500000 0.5500000), wk = 0.0030120 k( 275) = ( 0.5000000 0.4571429 0.5428571), wk = 0.0030120 k( 276) = ( 0.5000000 0.4642857 0.5357143), wk = 0.0030120 k( 277) = ( 0.5000000 0.4714286 0.5285714), wk = 0.0030120 k( 278) = ( 0.5000000 0.4785714 0.5214286), wk = 0.0030120 k( 279) = ( 0.5000000 0.4857143 0.5142857), wk = 0.0030120 k( 280) = ( 0.5000000 0.4928571 0.5071429), wk = 0.0030120 k( 281) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030120 k( 282) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030120 k( 283) = ( 0.4959677 0.4959677 0.5080645), wk = 0.0030120 k( 284) = ( 0.4919355 0.4919355 0.5161290), wk = 0.0030120 k( 285) = ( 0.4879032 0.4879032 0.5241936), wk = 0.0030120 k( 286) = ( 0.4838710 0.4838710 0.5322581), wk = 0.0030120 k( 287) = ( 0.4798387 0.4798387 0.5403226), wk = 0.0030120 k( 288) = ( 0.4758064 0.4758064 0.5483871), wk = 0.0030120 k( 289) = ( 0.4717742 0.4717742 0.5564516), wk = 0.0030120 k( 290) = ( 0.4677419 0.4677419 0.5645161), wk = 0.0030120 k( 291) = ( 0.4637097 0.4637097 0.5725807), wk = 0.0030120 k( 292) = ( 0.4596774 0.4596774 0.5806452), wk = 0.0030120 k( 293) = ( 0.4556452 0.4556452 0.5887097), wk = 0.0030120 k( 294) = ( 0.4516129 0.4516129 0.5967742), wk = 0.0030120 k( 295) = ( 0.4475807 0.4475807 0.6048387), wk = 0.0030120 k( 296) = ( 0.4435484 0.4435484 0.6129032), wk = 0.0030120 k( 297) = ( 0.4395161 0.4395161 0.6209677), wk = 0.0030120 k( 298) = ( 0.4354839 0.4354839 0.6290323), wk = 0.0030120 k( 299) = ( 0.4314516 0.4314516 0.6370968), wk = 0.0030120 k( 300) = ( 0.4274193 0.4274193 0.6451613), wk = 0.0030120 k( 301) = ( 0.4233871 0.4233871 0.6532258), wk = 0.0030120 k( 302) = ( 0.4193548 0.4193548 0.6612903), wk = 0.0030120 k( 303) = ( 0.4153226 0.4153226 0.6693548), wk = 0.0030120 k( 304) = ( 0.4112903 0.4112903 0.6774193), wk = 0.0030120 k( 305) = ( 0.4072581 0.4072581 0.6854839), wk = 0.0030120 k( 306) = ( 0.4032258 0.4032258 0.6935484), wk = 0.0030120 k( 307) = ( 0.3991936 0.3991936 0.7016129), wk = 0.0030120 k( 308) = ( 0.3951613 0.3951613 0.7096774), wk = 0.0030120 k( 309) = ( 0.3911290 0.3911290 0.7177419), wk = 0.0030120 k( 310) = ( 0.3870968 0.3870968 0.7258064), wk = 0.0030120 k( 311) = ( 0.3830645 0.3830645 0.7338710), wk = 0.0030120 k( 312) = ( 0.3790323 0.3790323 0.7419355), wk = 0.0030120 k( 313) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0030120 k( 314) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0030120 k( 315) = ( 0.6180556 0.2361111 0.6180556), wk = 0.0030120 k( 316) = ( 0.6111111 0.2222222 0.6111111), wk = 0.0030120 k( 317) = ( 0.6041667 0.2083333 0.6041667), wk = 0.0030120 k( 318) = ( 0.5972222 0.1944444 0.5972222), wk = 0.0030120 k( 319) = ( 0.5902778 0.1805556 0.5902778), wk = 0.0030120 k( 320) = ( 0.5833333 0.1666667 0.5833333), wk = 0.0030120 k( 321) = ( 0.5763889 0.1527778 0.5763889), wk = 0.0030120 k( 322) = ( 0.5694444 0.1388889 0.5694444), wk = 0.0030120 k( 323) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0030120 k( 324) = ( 0.5555556 0.1111111 0.5555556), wk = 0.0030120 k( 325) = ( 0.5486111 0.0972222 0.5486111), wk = 0.0030120 k( 326) = ( 0.5416667 0.0833333 0.5416667), wk = 0.0030120 k( 327) = ( 0.5347222 0.0694444 0.5347222), wk = 0.0030120 k( 328) = ( 0.5277778 0.0555556 0.5277778), wk = 0.0030120 k( 329) = ( 0.5208333 0.0416667 0.5208333), wk = 0.0030120 k( 330) = ( 0.5138889 0.0277778 0.5138889), wk = 0.0030120 k( 331) = ( 0.5069444 0.0138889 0.5069444), wk = 0.0030120 k( 332) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030120 Dense grid: 61335 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.30 Mb ( 442, 44) NL pseudopotentials 0.32 Mb ( 221, 96) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1704) G-vector shells 0.00 Mb ( 444) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.19 Mb ( 442, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.13 Mb ( 96, 2, 44) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./Li2InRh.save/charge-density.dat Starting wfc are 58 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.2 secs Computing kpt #: 2 total cpu time spent up to now is 3.9 secs Computing kpt #: 3 total cpu time spent up to now is 4.6 secs Computing kpt #: 4 total cpu time spent up to now is 5.3 secs Computing kpt #: 5 total cpu time spent up to now is 6.0 secs Computing kpt #: 6 total cpu time spent up to now is 6.6 secs Computing kpt #: 7 total cpu time spent up to now is 7.2 secs Computing kpt #: 8 total cpu time spent up to now is 7.9 secs Computing kpt #: 9 total cpu time spent up to now is 8.6 secs Computing kpt #: 10 total cpu time spent up to now is 9.2 secs Computing kpt #: 11 total cpu time spent up to now is 9.8 secs Computing kpt #: 12 total cpu time spent up to now is 10.5 secs Computing kpt #: 13 total cpu time spent up to now is 11.1 secs Computing kpt #: 14 total cpu time spent up to now is 11.7 secs Computing kpt #: 15 total cpu time spent up to now is 12.4 secs Computing kpt #: 16 total cpu time spent up to now is 12.9 secs Computing kpt #: 17 total cpu time spent up to now is 13.5 secs Computing kpt #: 18 total cpu time spent up to now is 14.1 secs Computing kpt #: 19 total cpu time spent up to now is 14.7 secs Computing kpt #: 20 total cpu time spent up to now is 15.2 secs Computing kpt #: 21 total cpu time spent up to now is 15.9 secs Computing kpt #: 22 total cpu time spent up to now is 16.4 secs Computing kpt #: 23 total cpu time spent up to now is 17.0 secs Computing kpt #: 24 total cpu time spent up to now is 17.5 secs Computing kpt #: 25 total cpu time spent up to now is 18.0 secs Computing kpt #: 26 total cpu time spent up to now is 18.6 secs Computing kpt #: 27 total cpu time spent up to now is 19.1 secs Computing kpt #: 28 total cpu time spent up to now is 19.6 secs Computing kpt #: 29 total cpu time spent up to now is 20.2 secs Computing kpt #: 30 total cpu time spent up to now is 20.7 secs Computing kpt #: 31 total cpu time spent up to now is 21.2 secs Computing kpt #: 32 total cpu time spent up to now is 21.8 secs Computing kpt #: 33 total cpu time spent up to now is 22.3 secs Computing kpt #: 34 total cpu time spent up to now is 22.8 secs Computing kpt #: 35 total cpu time spent up to now is 23.3 secs Computing kpt #: 36 total cpu time spent up to now is 23.8 secs Computing kpt #: 37 total cpu time spent up to now is 24.3 secs Computing kpt #: 38 total cpu time spent up to now is 24.8 secs Computing kpt #: 39 total cpu time spent up to now is 25.4 secs Computing kpt #: 40 total cpu time spent up to now is 25.9 secs Computing kpt #: 41 total cpu time spent up to now is 26.3 secs Computing kpt #: 42 total cpu time spent up to now is 26.9 secs Computing kpt #: 43 total cpu time spent up to now is 27.4 secs Computing kpt #: 44 total cpu time spent up to now is 27.9 secs Computing kpt #: 45 total cpu time spent up to now is 28.4 secs Computing kpt #: 46 total cpu time spent up to now is 29.0 secs Computing kpt #: 47 total cpu time spent up to now is 29.4 secs Computing kpt #: 48 total cpu time spent up to now is 30.0 secs Computing kpt #: 49 total cpu time spent up to now is 30.4 secs Computing kpt #: 50 total cpu time spent up to now is 31.0 secs Computing kpt #: 51 total cpu time spent up to now is 31.5 secs Computing kpt #: 52 total cpu time spent up to now is 32.0 secs Computing kpt #: 53 total cpu time spent up to now is 32.5 secs Computing kpt #: 54 total cpu time spent up to now is 33.0 secs Computing kpt #: 55 total cpu time spent up to now is 33.5 secs Computing kpt #: 56 total cpu time spent up to now is 34.0 secs Computing kpt #: 57 total cpu time spent up to now is 34.5 secs Computing kpt #: 58 total cpu time spent up to now is 35.0 secs Computing kpt #: 59 total cpu time spent up to now is 35.6 secs Computing kpt #: 60 total cpu time spent up to now is 36.2 secs Computing kpt #: 61 total cpu time spent up to now is 36.6 secs Computing kpt #: 62 total cpu time spent up to now is 37.1 secs Computing kpt #: 63 total cpu time spent up to now is 37.7 secs Computing kpt #: 64 total cpu time spent up to now is 38.2 secs Computing kpt #: 65 total cpu time spent up to now is 38.8 secs Computing kpt #: 66 total cpu time spent up to now is 39.6 secs Computing kpt #: 67 total cpu time spent up to now is 40.2 secs Computing kpt #: 68 total cpu time spent up to now is 40.7 secs Computing kpt #: 69 total cpu time spent up to now is 41.2 secs Computing kpt #: 70 total cpu time spent up to now is 41.8 secs Computing kpt #: 71 total cpu time spent up to now is 42.4 secs Computing kpt #: 72 total cpu time spent up to now is 43.0 secs Computing kpt #: 73 total cpu time spent up to now is 43.6 secs Computing kpt #: 74 total cpu time spent up to now is 44.2 secs Computing kpt #: 75 total cpu time spent up to now is 44.8 secs Computing kpt #: 76 total cpu time spent up to now is 45.4 secs Computing kpt #: 77 total cpu time spent up to now is 46.1 secs Computing kpt #: 78 total cpu time spent up to now is 46.7 secs Computing kpt #: 79 total cpu time spent up to now is 47.3 secs Computing kpt #: 80 total cpu time spent up to now is 47.9 secs Computing kpt #: 81 total cpu time spent up to now is 48.5 secs Computing kpt #: 82 total cpu time spent up to now is 49.1 secs Computing kpt #: 83 total cpu time spent up to now is 49.7 secs Computing kpt #: 84 total cpu time spent up to now is 50.3 secs Computing kpt #: 85 total cpu time spent up to now is 50.9 secs Computing kpt #: 86 total cpu time spent up to now is 51.4 secs Computing kpt #: 87 total cpu time spent up to now is 52.0 secs Computing kpt #: 88 total cpu time spent up to now is 52.6 secs Computing kpt #: 89 total cpu time spent up to now is 53.2 secs Computing kpt #: 90 total cpu time spent up to now is 53.8 secs Computing kpt #: 91 total cpu time spent up to now is 54.4 secs Computing kpt #: 92 total cpu time spent up to now is 54.9 secs Computing kpt #: 93 total cpu time spent up to now is 55.5 secs Computing kpt #: 94 total cpu time spent up to now is 56.1 secs Computing kpt #: 95 total cpu time spent up to now is 56.6 secs Computing kpt #: 96 total cpu time spent up to now is 57.2 secs Computing kpt #: 97 total cpu time spent up to now is 57.7 secs Computing kpt #: 98 total cpu time spent up to now is 58.2 secs Computing kpt #: 99 total cpu time spent up to now is 58.8 secs Computing kpt #: 100 total cpu time spent up to now is 59.4 secs Computing kpt #: 101 total cpu time spent up to now is 60.0 secs Computing kpt #: 102 total cpu time spent up to now is 60.6 secs Computing kpt #: 103 total cpu time spent up to now is 61.3 secs Computing kpt #: 104 total cpu time spent up to now is 62.1 secs Computing kpt #: 105 total cpu time spent up to now is 63.1 secs Computing kpt #: 106 total cpu time spent up to now is 63.8 secs Computing kpt #: 107 total cpu time spent up to now is 64.6 secs Computing kpt #: 108 total cpu time spent up to now is 65.3 secs Computing kpt #: 109 total cpu time spent up to now is 66.0 secs Computing kpt #: 110 total cpu time spent up to now is 66.7 secs Computing kpt #: 111 total cpu time spent up to now is 67.4 secs Computing kpt #: 112 total cpu time spent up to now is 68.1 secs Computing kpt #: 113 total cpu time spent up to now is 68.8 secs Computing kpt #: 114 total cpu time spent up to now is 69.5 secs Computing kpt #: 115 total cpu time spent up to now is 70.2 secs Computing kpt #: 116 total cpu time spent up to now is 71.1 secs Computing kpt #: 117 total cpu time spent up to now is 71.8 secs Computing kpt #: 118 total cpu time spent up to now is 72.4 secs Computing kpt #: 119 total cpu time spent up to now is 73.2 secs Computing kpt #: 120 total cpu time spent up to now is 73.9 secs Computing kpt #: 121 total cpu time spent up to now is 74.6 secs Computing kpt #: 122 total cpu time spent up to now is 75.4 secs Computing kpt #: 123 total cpu time spent up to now is 76.1 secs Computing kpt #: 124 total cpu time spent up to now is 76.8 secs Computing kpt #: 125 total cpu time spent up to now is 77.4 secs Computing kpt #: 126 total cpu time spent up to now is 78.1 secs Computing kpt #: 127 total cpu time spent up to now is 78.8 secs Computing kpt #: 128 total cpu time spent up to now is 79.4 secs Computing kpt #: 129 total cpu time spent up to now is 80.0 secs Computing kpt #: 130 total cpu time spent up to now is 80.7 secs Computing kpt #: 131 total cpu time spent up to now is 81.3 secs Computing kpt #: 132 total cpu time spent up to now is 82.0 secs Computing kpt #: 133 total cpu time spent up to now is 82.7 secs Computing kpt #: 134 total cpu time spent up to now is 83.3 secs Computing kpt #: 135 total cpu time spent up to now is 83.9 secs Computing kpt #: 136 total cpu time spent up to now is 84.6 secs Computing kpt #: 137 total cpu time spent up to now is 85.2 secs Computing kpt #: 138 total cpu time spent up to now is 85.8 secs Computing kpt #: 139 total cpu time spent up to now is 86.5 secs Computing kpt #: 140 total cpu time spent up to now is 87.1 secs Computing kpt #: 141 total cpu time spent up to now is 87.8 secs Computing kpt #: 142 total cpu time spent up to now is 88.5 secs Computing kpt #: 143 total cpu time spent up to now is 89.1 secs Computing kpt #: 144 total cpu time spent up to now is 89.8 secs Computing kpt #: 145 total cpu time spent up to now is 90.5 secs Computing kpt #: 146 total cpu time spent up to now is 91.2 secs Computing kpt #: 147 total cpu time spent up to now is 91.8 secs Computing kpt #: 148 total cpu time spent up to now is 92.6 secs Computing kpt #: 149 total cpu time spent up to now is 93.2 secs Computing kpt #: 150 total cpu time spent up to now is 93.8 secs Computing kpt #: 151 total cpu time spent up to now is 94.5 secs Computing kpt #: 152 total cpu time spent up to now is 95.2 secs Computing kpt #: 153 total cpu time spent up to now is 95.9 secs Computing kpt #: 154 total cpu time spent up to now is 96.6 secs Computing kpt #: 155 total cpu time spent up to now is 97.2 secs Computing kpt #: 156 total cpu time spent up to now is 97.9 secs Computing kpt #: 157 total cpu time spent up to now is 98.6 secs Computing kpt #: 158 total cpu time spent up to now is 99.2 secs Computing kpt #: 159 total cpu time spent up to now is 99.9 secs Computing kpt #: 160 total cpu time spent up to now is 100.6 secs Computing kpt #: 161 total cpu time spent up to now is 101.2 secs Computing kpt #: 162 total cpu time spent up to now is 101.9 secs Computing kpt #: 163 total cpu time spent up to now is 102.5 secs Computing kpt #: 164 total cpu time spent up to now is 103.2 secs Computing kpt #: 165 total cpu time spent up to now is 103.8 secs Computing kpt #: 166 total cpu time spent up to now is 104.4 secs Computing kpt #: 167 total cpu time spent up to now is 105.0 secs Computing kpt #: 168 total cpu time spent up to now is 105.6 secs Computing kpt #: 169 total cpu time spent up to now is 106.2 secs Computing kpt #: 170 total cpu time spent up to now is 106.8 secs Computing kpt #: 171 total cpu time spent up to now is 107.5 secs Computing kpt #: 172 total cpu time spent up to now is 108.2 secs Computing kpt #: 173 total cpu time spent up to now is 108.8 secs Computing kpt #: 174 total cpu time spent up to now is 109.4 secs Computing kpt #: 175 total cpu time spent up to now is 110.0 secs Computing kpt #: 176 total cpu time spent up to now is 110.6 secs Computing kpt #: 177 total cpu time spent up to now is 111.3 secs Computing kpt #: 178 total cpu time spent up to now is 111.9 secs Computing kpt #: 179 total cpu time spent up to now is 112.5 secs Computing kpt #: 180 total cpu time spent up to now is 113.2 secs Computing kpt #: 181 total cpu time spent up to now is 113.8 secs Computing kpt #: 182 total cpu time spent up to now is 114.4 secs Computing kpt #: 183 total cpu time spent up to now is 115.1 secs Computing kpt #: 184 total cpu time spent up to now is 115.8 secs Computing kpt #: 185 total cpu time spent up to now is 116.4 secs Computing kpt #: 186 total cpu time spent up to now is 117.0 secs Computing kpt #: 187 total cpu time spent up to now is 117.6 secs Computing kpt #: 188 total cpu time spent up to now is 118.2 secs Computing kpt #: 189 total cpu time spent up to now is 118.8 secs Computing kpt #: 190 total cpu time spent up to now is 119.5 secs Computing kpt #: 191 total cpu time spent up to now is 120.1 secs Computing kpt #: 192 total cpu time spent up to now is 120.8 secs Computing kpt #: 193 total cpu time spent up to now is 121.4 secs Computing kpt #: 194 total cpu time spent up to now is 122.0 secs Computing kpt #: 195 total cpu time spent up to now is 122.7 secs Computing kpt #: 196 total cpu time spent up to now is 123.3 secs Computing kpt #: 197 total cpu time spent up to now is 124.0 secs Computing kpt #: 198 total cpu time spent up to now is 124.6 secs Computing kpt #: 199 total cpu time spent up to now is 125.2 secs Computing kpt #: 200 total cpu time spent up to now is 125.8 secs Computing kpt #: 201 total cpu time spent up to now is 126.4 secs Computing kpt #: 202 total cpu time spent up to now is 127.0 secs Computing kpt #: 203 total cpu time spent up to now is 127.6 secs Computing kpt #: 204 total cpu time spent up to now is 128.2 secs Computing kpt #: 205 total cpu time spent up to now is 128.7 secs Computing kpt #: 206 total cpu time spent up to now is 129.3 secs Computing kpt #: 207 total cpu time spent up to now is 130.0 secs Computing kpt #: 208 total cpu time spent up to now is 130.5 secs Computing kpt #: 209 total cpu time spent up to now is 131.1 secs Computing kpt #: 210 total cpu time spent up to now is 131.7 secs Computing kpt #: 211 total cpu time spent up to now is 132.3 secs Computing kpt #: 212 total cpu time spent up to now is 132.9 secs Computing kpt #: 213 total cpu time spent up to now is 133.6 secs Computing kpt #: 214 total cpu time spent up to now is 134.3 secs Computing kpt #: 215 total cpu time spent up to now is 135.0 secs Computing kpt #: 216 total cpu time spent up to now is 135.7 secs Computing kpt #: 217 total cpu time spent up to now is 136.5 secs Computing kpt #: 218 total cpu time spent up to now is 137.2 secs Computing kpt #: 219 total cpu time spent up to now is 137.9 secs Computing kpt #: 220 total cpu time spent up to now is 138.5 secs Computing kpt #: 221 total cpu time spent up to now is 139.1 secs Computing kpt #: 222 total cpu time spent up to now is 140.0 secs Computing kpt #: 223 total cpu time spent up to now is 140.7 secs Computing kpt #: 224 total cpu time spent up to now is 141.3 secs Computing kpt #: 225 total cpu time spent up to now is 141.8 secs Computing kpt #: 226 total cpu time spent up to now is 142.4 secs Computing kpt #: 227 total cpu time spent up to now is 142.9 secs Computing kpt #: 228 total cpu time spent up to now is 143.5 secs Computing kpt #: 229 total cpu time spent up to now is 144.1 secs Computing kpt #: 230 total cpu time spent up to now is 144.7 secs Computing kpt #: 231 total cpu time spent up to now is 145.2 secs Computing kpt #: 232 total cpu time spent up to now is 145.9 secs Computing kpt #: 233 total cpu time spent up to now is 146.4 secs Computing kpt #: 234 total cpu time spent up to now is 147.0 secs Computing kpt #: 235 total cpu time spent up to now is 147.5 secs Computing kpt #: 236 total cpu time spent up to now is 148.1 secs Computing kpt #: 237 total cpu time spent up to now is 148.7 secs Computing kpt #: 238 total cpu time spent up to now is 149.3 secs Computing kpt #: 239 total cpu time spent up to now is 149.9 secs Computing kpt #: 240 total cpu time spent up to now is 150.5 secs Computing kpt #: 241 total cpu time spent up to now is 151.1 secs Computing kpt #: 242 total cpu time spent up to now is 151.6 secs Computing kpt #: 243 total cpu time spent up to now is 152.3 secs Computing kpt #: 244 total cpu time spent up to now is 152.9 secs Computing kpt #: 245 total cpu time spent up to now is 153.6 secs Computing kpt #: 246 total cpu time spent up to now is 154.3 secs Computing kpt #: 247 total cpu time spent up to now is 155.0 secs Computing kpt #: 248 total cpu time spent up to now is 155.6 secs Computing kpt #: 249 total cpu time spent up to now is 156.3 secs Computing kpt #: 250 total cpu time spent up to now is 156.9 secs Computing kpt #: 251 total cpu time spent up to now is 157.5 secs Computing kpt #: 252 total cpu time spent up to now is 158.1 secs Computing kpt #: 253 total cpu time spent up to now is 158.7 secs Computing kpt #: 254 total cpu time spent up to now is 159.3 secs Computing kpt #: 255 total cpu time spent up to now is 159.9 secs Computing kpt #: 256 total cpu time spent up to now is 160.4 secs Computing kpt #: 257 total cpu time spent up to now is 161.0 secs Computing kpt #: 258 total cpu time spent up to now is 161.6 secs Computing kpt #: 259 total cpu time spent up to now is 162.1 secs Computing kpt #: 260 total cpu time spent up to now is 162.7 secs Computing kpt #: 261 total cpu time spent up to now is 163.3 secs Computing kpt #: 262 total cpu time spent up to now is 163.8 secs Computing kpt #: 263 total cpu time spent up to now is 164.4 secs Computing kpt #: 264 total cpu time spent up to now is 165.0 secs Computing kpt #: 265 total cpu time spent up to now is 165.5 secs Computing kpt #: 266 total cpu time spent up to now is 166.1 secs Computing kpt #: 267 total cpu time spent up to now is 166.6 secs Computing kpt #: 268 total cpu time spent up to now is 167.2 secs Computing kpt #: 269 total cpu time spent up to now is 167.8 secs Computing kpt #: 270 total cpu time spent up to now is 168.3 secs Computing kpt #: 271 total cpu time spent up to now is 168.9 secs Computing kpt #: 272 total cpu time spent up to now is 169.5 secs Computing kpt #: 273 total cpu time spent up to now is 170.1 secs Computing kpt #: 274 total cpu time spent up to now is 170.7 secs Computing kpt #: 275 total cpu time spent up to now is 171.4 secs Computing kpt #: 276 total cpu time spent up to now is 172.0 secs Computing kpt #: 277 total cpu time spent up to now is 172.6 secs Computing kpt #: 278 total cpu time spent up to now is 173.2 secs Computing kpt #: 279 total cpu time spent up to now is 173.8 secs Computing kpt #: 280 total cpu time spent up to now is 174.4 secs Computing kpt #: 281 total cpu time spent up to now is 175.1 secs Computing kpt #: 282 total cpu time spent up to now is 175.7 secs Computing kpt #: 283 total cpu time spent up to now is 176.4 secs Computing kpt #: 284 total cpu time spent up to now is 176.9 secs Computing kpt #: 285 total cpu time spent up to now is 177.5 secs Computing kpt #: 286 total cpu time spent up to now is 178.1 secs Computing kpt #: 287 total cpu time spent up to now is 178.8 secs Computing kpt #: 288 total cpu time spent up to now is 179.4 secs Computing kpt #: 289 total cpu time spent up to now is 180.0 secs Computing kpt #: 290 total cpu time spent up to now is 180.6 secs Computing kpt #: 291 total cpu time spent up to now is 181.2 secs Computing kpt #: 292 total cpu time spent up to now is 181.8 secs Computing kpt #: 293 total cpu time spent up to now is 182.4 secs Computing kpt #: 294 total cpu time spent up to now is 183.0 secs Computing kpt #: 295 total cpu time spent up to now is 183.5 secs Computing kpt #: 296 total cpu time spent up to now is 184.1 secs Computing kpt #: 297 total cpu time spent up to now is 184.7 secs Computing kpt #: 298 total cpu time spent up to now is 185.4 secs Computing kpt #: 299 total cpu time spent up to now is 186.0 secs Computing kpt #: 300 total cpu time spent up to now is 186.8 secs Computing kpt #: 301 total cpu time spent up to now is 187.5 secs Computing kpt #: 302 total cpu time spent up to now is 188.2 secs Computing kpt #: 303 total cpu time spent up to now is 188.8 secs Computing kpt #: 304 total cpu time spent up to now is 189.6 secs Computing kpt #: 305 total cpu time spent up to now is 190.3 secs Computing kpt #: 306 total cpu time spent up to now is 191.0 secs Computing kpt #: 307 total cpu time spent up to now is 191.6 secs Computing kpt #: 308 total cpu time spent up to now is 192.1 secs Computing kpt #: 309 total cpu time spent up to now is 192.7 secs Computing kpt #: 310 total cpu time spent up to now is 193.3 secs Computing kpt #: 311 total cpu time spent up to now is 193.9 secs Computing kpt #: 312 total cpu time spent up to now is 194.5 secs Computing kpt #: 313 total cpu time spent up to now is 195.1 secs Computing kpt #: 314 total cpu time spent up to now is 195.7 secs Computing kpt #: 315 total cpu time spent up to now is 196.3 secs Computing kpt #: 316 total cpu time spent up to now is 196.8 secs Computing kpt #: 317 total cpu time spent up to now is 197.4 secs Computing kpt #: 318 total cpu time spent up to now is 197.9 secs Computing kpt #: 319 total cpu time spent up to now is 198.5 secs Computing kpt #: 320 total cpu time spent up to now is 199.0 secs Computing kpt #: 321 total cpu time spent up to now is 199.6 secs Computing kpt #: 322 total cpu time spent up to now is 200.1 secs Computing kpt #: 323 total cpu time spent up to now is 200.6 secs Computing kpt #: 324 total cpu time spent up to now is 201.1 secs Computing kpt #: 325 total cpu time spent up to now is 201.6 secs Computing kpt #: 326 total cpu time spent up to now is 202.1 secs Computing kpt #: 327 total cpu time spent up to now is 202.6 secs Computing kpt #: 328 total cpu time spent up to now is 203.2 secs Computing kpt #: 329 total cpu time spent up to now is 203.7 secs Computing kpt #: 330 total cpu time spent up to now is 204.2 secs Computing kpt #: 331 total cpu time spent up to now is 204.7 secs Computing kpt #: 332 total cpu time spent up to now is 205.2 secs ethr = 2.78E-08, avg # of iterations = 16.8 total cpu time spent up to now is 205.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7727 PWs) bands (ev): -67.8283 -67.8283 -38.4487 -38.4487 -36.3200 -36.3200 -35.8179 -35.8179 -34.5527 -34.5527 -34.5527 -34.5527 -4.8722 -4.8722 -4.8722 -4.8722 -4.0514 -4.0514 -4.0123 -4.0123 -4.0123 -4.0123 2.2851 2.2851 7.2481 7.2481 7.2481 7.2481 7.3372 7.3372 8.3179 8.3179 8.3179 8.3179 13.8281 13.8281 13.9252 13.9252 13.9252 13.9252 14.6295 14.6295 14.9460 14.9461 k = 0.0100-0.0058 0.0082 ( 7727 PWs) bands (ev): -67.8283 -67.8283 -38.4487 -38.4487 -36.3200 -36.3200 -35.8179 -35.8179 -34.5527 -34.5527 -34.5527 -34.5527 -4.8724 -4.8724 -4.8720 -4.8719 -4.0514 -4.0514 -4.0126 -4.0126 -4.0120 -4.0120 2.2863 2.2863 7.2471 7.2471 7.2493 7.2493 7.3372 7.3372 8.3161 8.3161 8.3188 8.3188 13.8182 13.8182 13.9067 13.9067 13.9207 13.9207 14.6330 14.6330 14.9312 14.9312 k = 0.0200-0.0115 0.0163 ( 7703 PWs) bands (ev): -67.8283 -67.8283 -38.4487 -38.4487 -36.3200 -36.3200 -35.8179 -35.8179 -34.5527 -34.5527 -34.5527 -34.5527 -4.8726 -4.8726 -4.8717 -4.8717 -4.0514 -4.0514 -4.0129 -4.0129 -4.0117 -4.0117 2.2900 2.2900 7.2459 7.2459 7.2507 7.2507 7.3373 7.3373 8.3129 8.3129 8.3194 8.3194 13.7852 13.7852 13.8549 13.8549 13.9123 13.9123 14.6339 14.6339 14.9051 14.9051 k = 0.0300-0.0173 0.0245 ( 7707 PWs) bands (ev): -67.8283 -67.8283 -38.4487 -38.4487 -36.3200 -36.3200 -35.8179 -35.8179 -34.5527 -34.5527 -34.5527 -34.5527 -4.8728 -4.8728 -4.8715 -4.8715 -4.0513 -4.0513 -4.0131 -4.0131 -4.0114 -4.0114 2.2962 2.2962 7.2445 7.2445 7.2524 7.2524 7.3375 7.3375 8.3081 8.3081 8.3201 8.3201 13.7265 13.7265 13.7775 13.7775 13.9071 13.9071 14.6106 14.6106 14.8994 14.8994 k = 0.0400-0.0231 0.0327 ( 7699 PWs) bands (ev): -67.8283 -67.8283 -38.4487 -38.4487 -36.3200 -36.3200 -35.8179 -35.8179 -34.5527 -34.5527 -34.5527 -34.5527 -4.8730 -4.8730 -4.8712 -4.8712 -4.0512 -4.0512 -4.0133 -4.0133 -4.0111 -4.0111 2.3049 2.3049 7.2427 7.2427 7.2545 7.2545 7.3379 7.3379 8.3015 8.3015 8.3208 8.3208 13.6469 13.6469 13.6822 13.6822 13.9055 13.9055 14.5549 14.5549 14.9251 14.9251 k = 0.0500-0.0289 0.0408 ( 7699 PWs) bands (ev): -67.8283 -67.8283 -38.4487 -38.4487 -36.3200 -36.3200 -35.8179 -35.8179 -34.5527 -34.5527 -34.5527 -34.5527 -4.8731 -4.8731 -4.8709 -4.8709 -4.0511 -4.0511 -4.0135 -4.0135 -4.0108 -4.0108 2.3160 2.3160 7.2404 7.2404 7.2571 7.2571 7.3387 7.3387 8.2932 8.2932 8.3217 8.3217 13.5523 13.5523 13.5748 13.5748 13.9058 13.9058 14.4776 14.4776 14.9710 14.9710 k = 0.0600-0.0346 0.0490 ( 7699 PWs) bands (ev): -67.8283 -67.8283 -38.4487 -38.4487 -36.3200 -36.3200 -35.8179 -35.8179 -34.5527 -34.5527 -34.5527 -34.5527 -4.8733 -4.8733 -4.8706 -4.8706 -4.0510 -4.0510 -4.0137 -4.0137 -4.0104 -4.0104 2.3295 2.3295 7.2374 7.2374 7.2603 7.2603 7.3399 7.3399 8.2832 8.2832 8.3228 8.3228 13.4473 13.4473 13.4590 13.4590 13.9060 13.9060 14.3893 14.3893 15.0267 15.0267 k = 0.0700-0.0404 0.0572 ( 7699 PWs) bands (ev): -67.8283 -67.8283 -38.4487 -38.4487 -36.3199 -36.3199 -35.8180 -35.8180 -34.5527 -34.5527 -34.5527 -34.5527 -4.8734 -4.8734 -4.8704 -4.8704 -4.0508 -4.0508 -4.0139 -4.0139 -4.0101 -4.0101 2.3456 2.3456 7.2335 7.2335 7.2640 7.2640 7.3417 7.3417 8.2716 8.2716 8.3240 8.3240 13.3348 13.3348 13.3377 13.3377 13.9038 13.9038 14.2964 14.2964 15.0867 15.0867 k = 0.0800-0.0462 0.0653 ( 7683 PWs) bands (ev): -67.8283 -67.8283 -38.4487 -38.4487 -36.3199 -36.3199 -35.8180 -35.8180 -34.5527 -34.5527 -34.5527 -34.5527 -4.8735 -4.8735 -4.8701 -4.8701 -4.0507 -4.0507 -4.0140 -4.0140 -4.0097 -4.0097 2.3640 2.3640 7.2287 7.2287 7.2683 7.2683 7.3442 7.3442 8.2586 8.2586 8.3254 8.3254 13.2122 13.2122 13.2172 13.2172 13.8943 13.8943 14.2051 14.2051 15.1490 15.1490 k = 0.0900-0.0520 0.0735 ( 7675 PWs) bands (ev): -67.8283 -67.8283 -38.4487 -38.4487 -36.3199 -36.3199 -35.8180 -35.8180 -34.5527 -34.5527 -34.5527 -34.5527 -4.8736 -4.8736 -4.8698 -4.8698 -4.0505 -4.0505 -4.0141 -4.0141 -4.0094 -4.0094 2.3849 2.3849 7.2228 7.2228 7.2732 7.2732 7.3475 7.3475 8.2441 8.2441 8.3270 8.3270 13.0843 13.0843 13.0958 13.0958 13.8673 13.8673 14.1262 14.1262 15.2125 15.2125 k = 0.1000-0.0577 0.0816 ( 7667 PWs) bands (ev): -67.8283 -67.8283 -38.4487 -38.4487 -36.3199 -36.3199 -35.8180 -35.8180 -34.5528 -34.5528 -34.5527 -34.5527 -4.8737 -4.8737 -4.8694 -4.8694 -4.0503 -4.0503 -4.0142 -4.0142 -4.0090 -4.0090 2.4082 2.4082 7.2158 7.2158 7.2787 7.2787 7.3516 7.3516 8.2285 8.2285 8.3288 8.3288 12.9546 12.9546 12.9718 12.9718 13.8077 13.8077 14.0748 14.0748 15.2765 15.2765 k = 0.1100-0.0635 0.0898 ( 7667 PWs) bands (ev): -67.8283 -67.8283 -38.4488 -38.4488 -36.3199 -36.3199 -35.8180 -35.8180 -34.5528 -34.5528 -34.5527 -34.5527 -4.8737 -4.8737 -4.8691 -4.8691 -4.0501 -4.0501 -4.0143 -4.0143 -4.0086 -4.0086 2.4339 2.4339 7.2076 7.2076 7.2849 7.2849 7.3568 7.3568 8.2117 8.2117 8.3307 8.3307 12.8240 12.8240 12.8461 12.8461 13.7136 13.7136 14.0528 14.0528 15.3381 15.3381 k = 0.1200-0.0693 0.0980 ( 7663 PWs) bands (ev): -67.8283 -67.8283 -38.4488 -38.4488 -36.3199 -36.3199 -35.8181 -35.8181 -34.5528 -34.5528 -34.5527 -34.5527 -4.8738 -4.8738 -4.8688 -4.8688 -4.0498 -4.0498 -4.0144 -4.0144 -4.0082 -4.0082 2.4621 2.4621 7.1982 7.1982 7.2919 7.2919 7.3629 7.3629 8.1939 8.1939 8.3328 8.3328 12.6928 12.6928 12.7193 12.7193 13.5968 13.5968 14.0484 14.0484 15.3749 15.3749 k = 0.1300-0.0751 0.1061 ( 7655 PWs) bands (ev): -67.8283 -67.8283 -38.4488 -38.4488 -36.3198 -36.3198 -35.8181 -35.8181 -34.5528 -34.5528 -34.5527 -34.5527 -4.8738 -4.8738 -4.8685 -4.8685 -4.0496 -4.0496 -4.0144 -4.0144 -4.0078 -4.0078 2.4925 2.4925 7.1875 7.1875 7.2996 7.2996 7.3700 7.3700 8.1754 8.1754 8.3350 8.3350 12.5616 12.5616 12.5919 12.5919 13.4665 13.4665 14.0524 14.0524 15.3218 15.3218 k = 0.1400-0.0808 0.1143 ( 7647 PWs) bands (ev): -67.8283 -67.8283 -38.4488 -38.4488 -36.3198 -36.3198 -35.8181 -35.8181 -34.5528 -34.5528 -34.5527 -34.5527 -4.8738 -4.8738 -4.8682 -4.8682 -4.0493 -4.0493 -4.0144 -4.0144 -4.0074 -4.0074 2.5254 2.5254 7.1756 7.1756 7.3080 7.3080 7.3781 7.3781 8.1562 8.1562 8.3374 8.3374 12.4307 12.4307 12.4643 12.4643 13.3271 13.3271 14.0608 14.0608 15.2405 15.2405 k = 0.1500-0.0866 0.1225 ( 7647 PWs) bands (ev): -67.8283 -67.8283 -38.4488 -38.4488 -36.3198 -36.3198 -35.8182 -35.8182 -34.5528 -34.5528 -34.5527 -34.5527 -4.8738 -4.8738 -4.8679 -4.8679 -4.0491 -4.0491 -4.0144 -4.0144 -4.0070 -4.0070 2.5605 2.5605 7.1624 7.1624 7.3173 7.3173 7.3873 7.3873 8.1366 8.1366 8.3400 8.3400 12.3003 12.3003 12.3368 12.3368 13.1808 13.1808 14.0717 14.0717 15.1598 15.1598 k = 0.1600-0.0924 0.1306 ( 7655 PWs) bands (ev): -67.8283 -67.8283 -38.4488 -38.4488 -36.3198 -36.3198 -35.8182 -35.8182 -34.5528 -34.5528 -34.5526 -34.5526 -4.8738 -4.8738 -4.8676 -4.8676 -4.0488 -4.0488 -4.0144 -4.0144 -4.0066 -4.0066 2.5980 2.5980 7.1478 7.1478 7.3274 7.3274 7.3975 7.3975 8.1167 8.1167 8.3426 8.3426 12.1707 12.1707 12.2098 12.2098 13.0292 13.0292 14.0840 14.0840 15.0832 15.0832 k = 0.1700-0.0981 0.1388 ( 7639 PWs) bands (ev): -67.8283 -67.8283 -38.4488 -38.4488 -36.3197 -36.3197 -35.8182 -35.8182 -34.5528 -34.5528 -34.5526 -34.5526 -4.8737 -4.8737 -4.8673 -4.8673 -4.0485 -4.0485 -4.0144 -4.0144 -4.0061 -4.0061 2.6378 2.6378 7.1320 7.1320 7.3384 7.3384 7.4087 7.4087 8.0967 8.0967 8.3454 8.3454 12.0420 12.0420 12.0834 12.0834 12.8732 12.8732 14.0972 14.0972 15.0115 15.0115 k = 0.1800-0.1039 0.1470 ( 7635 PWs) bands (ev): -67.8283 -67.8283 -38.4489 -38.4489 -36.3197 -36.3197 -35.8183 -35.8183 -34.5529 -34.5529 -34.5526 -34.5526 -4.8737 -4.8737 -4.8670 -4.8670 -4.0482 -4.0482 -4.0143 -4.0143 -4.0057 -4.0057 2.6797 2.6797 7.1148 7.1148 7.3503 7.3503 7.4210 7.4210 8.0769 8.0769 8.3483 8.3483 11.9144 11.9144 11.9578 11.9578 12.7139 12.7139 14.1109 14.1109 14.9447 14.9447 k = 0.1900-0.1097 0.1551 ( 7647 PWs) bands (ev): -67.8283 -67.8283 -38.4489 -38.4489 -36.3197 -36.3197 -35.8183 -35.8183 -34.5529 -34.5529 -34.5526 -34.5526 -4.8736 -4.8736 -4.8667 -4.8667 -4.0480 -4.0480 -4.0143 -4.0143 -4.0052 -4.0052 2.7240 2.7240 7.0962 7.0962 7.3630 7.3630 7.4344 7.4344 8.0574 8.0574 8.3513 8.3513 11.7880 11.7880 11.8333 11.8333 12.5521 12.5521 14.1250 14.1250 14.8828 14.8828 k = 0.2000-0.1155 0.1633 ( 7655 PWs) bands (ev): -67.8283 -67.8283 -38.4489 -38.4489 -36.3197 -36.3197 -35.8184 -35.8184 -34.5529 -34.5529 -34.5526 -34.5526 -4.8735 -4.8735 -4.8664 -4.8664 -4.0477 -4.0477 -4.0142 -4.0142 -4.0047 -4.0047 2.7703 2.7703 7.0761 7.0761 7.3768 7.3768 7.4488 7.4488 8.0384 8.0384 8.3544 8.3544 11.6629 11.6629 11.7099 11.7099 12.3885 12.3885 14.1391 14.1391 14.8255 14.8255 k = 0.2100-0.1212 0.1715 ( 7647 PWs) bands (ev): -67.8283 -67.8283 -38.4489 -38.4489 -36.3196 -36.3196 -35.8184 -35.8184 -34.5529 -34.5529 -34.5526 -34.5526 -4.8734 -4.8734 -4.8661 -4.8661 -4.0474 -4.0474 -4.0141 -4.0141 -4.0043 -4.0043 2.8188 2.8188 7.0545 7.0545 7.3915 7.3915 7.4644 7.4644 8.0201 8.0201 8.3576 8.3576 11.5392 11.5392 11.5877 11.5877 12.2240 12.2240 14.1531 14.1531 14.7726 14.7726 k = 0.2200-0.1270 0.1796 ( 7655 PWs) bands (ev): -67.8283 -67.8283 -38.4489 -38.4489 -36.3196 -36.3196 -35.8185 -35.8185 -34.5529 -34.5529 -34.5526 -34.5526 -4.8732 -4.8732 -4.8658 -4.8658 -4.0471 -4.0471 -4.0140 -4.0140 -4.0038 -4.0038 2.8694 2.8694 7.0314 7.0314 7.4072 7.4072 7.4811 7.4811 8.0027 8.0027 8.3609 8.3609 11.4170 11.4170 11.4669 11.4669 12.0592 12.0592 14.1669 14.1669 14.7239 14.7239 k = 0.2300-0.1328 0.1878 ( 7663 PWs) bands (ev): -67.8283 -67.8283 -38.4490 -38.4490 -36.3196 -36.3196 -35.8185 -35.8185 -34.5529 -34.5529 -34.5526 -34.5526 -4.8731 -4.8731 -4.8655 -4.8655 -4.0468 -4.0468 -4.0139 -4.0139 -4.0033 -4.0033 2.9220 2.9220 7.0067 7.0067 7.4239 7.4239 7.4989 7.4989 7.9864 7.9864 8.3643 8.3643 11.2964 11.2964 11.3476 11.3476 11.8946 11.8946 14.1802 14.1802 14.6790 14.6790 k = 0.2400-0.1386 0.1960 ( 7667 PWs) bands (ev): -67.8283 -67.8283 -38.4490 -38.4490 -36.3196 -36.3196 -35.8186 -35.8186 -34.5529 -34.5529 -34.5526 -34.5526 -4.8729 -4.8729 -4.8653 -4.8653 -4.0465 -4.0465 -4.0138 -4.0138 -4.0027 -4.0027 2.9766 2.9766 6.9803 6.9803 7.4417 7.4417 7.5178 7.5178 7.9715 7.9715 8.3677 8.3677 11.1773 11.1773 11.2299 11.2299 11.7309 11.7309 14.1930 14.1930 14.6378 14.6378 k = 0.2500-0.1443 0.2041 ( 7683 PWs) bands (ev): -67.8283 -67.8283 -38.4490 -38.4490 -36.3195 -36.3195 -35.8186 -35.8186 -34.5530 -34.5530 -34.5526 -34.5526 -4.8728 -4.8728 -4.8650 -4.8650 -4.0462 -4.0462 -4.0137 -4.0137 -4.0022 -4.0022 3.0331 3.0331 6.9523 6.9523 7.4604 7.4604 7.5379 7.5379 7.9580 7.9580 8.3712 8.3712 11.0598 11.0598 11.1138 11.1138 11.5687 11.5687 14.2051 14.2051 14.6002 14.6002 k = 0.2600-0.1501 0.2123 ( 7675 PWs) bands (ev): -67.8282 -67.8282 -38.4490 -38.4490 -36.3195 -36.3195 -35.8187 -35.8187 -34.5530 -34.5530 -34.5526 -34.5526 -4.8726 -4.8726 -4.8648 -4.8648 -4.0459 -4.0459 -4.0136 -4.0136 -4.0017 -4.0017 3.0914 3.0914 6.9225 6.9225 7.4802 7.4802 7.5590 7.5590 7.9462 7.9462 8.3747 8.3747 10.9440 10.9440 10.9994 10.9994 11.4084 11.4084 14.2163 14.2163 14.5659 14.5659 k = 0.2700-0.1559 0.2205 ( 7671 PWs) bands (ev): -67.8282 -67.8282 -38.4490 -38.4490 -36.3195 -36.3195 -35.8187 -35.8187 -34.5530 -34.5530 -34.5526 -34.5526 -4.8724 -4.8724 -4.8646 -4.8646 -4.0456 -4.0456 -4.0135 -4.0135 -4.0012 -4.0012 3.1514 3.1514 6.8910 6.8910 7.5009 7.5009 7.5813 7.5813 7.9363 7.9363 8.3783 8.3783 10.8298 10.8298 10.8868 10.8868 11.2505 11.2505 14.2265 14.2265 14.5351 14.5351 k = 0.2800-0.1617 0.2286 ( 7675 PWs) bands (ev): -67.8282 -67.8282 -38.4490 -38.4490 -36.3194 -36.3194 -35.8188 -35.8188 -34.5530 -34.5530 -34.5526 -34.5526 -4.8722 -4.8722 -4.8644 -4.8644 -4.0453 -4.0453 -4.0134 -4.0134 -4.0006 -4.0006 3.2131 3.2131 6.8577 6.8577 7.5226 7.5226 7.6046 7.6046 7.9285 7.9285 8.3819 8.3819 10.7172 10.7172 10.7760 10.7760 11.0956 11.0956 14.2353 14.2353 14.5076 14.5076 k = 0.2900-0.1674 0.2368 ( 7667 PWs) bands (ev): -67.8282 -67.8282 -38.4491 -38.4491 -36.3194 -36.3194 -35.8188 -35.8188 -34.5530 -34.5530 -34.5526 -34.5526 -4.8719 -4.8719 -4.8642 -4.8642 -4.0450 -4.0450 -4.0133 -4.0133 -4.0001 -4.0001 3.2763 3.2763 6.8226 6.8226 7.5451 7.5451 7.6289 7.6289 7.9230 7.9230 8.3855 8.3855 10.6061 10.6061 10.6672 10.6672 10.9442 10.9442 14.2424 14.2424 14.4836 14.4836 k = 0.3000-0.1732 0.2449 ( 7668 PWs) bands (ev): -67.8282 -67.8282 -38.4491 -38.4491 -36.3194 -36.3194 -35.8189 -35.8189 -34.5530 -34.5530 -34.5526 -34.5526 -4.8717 -4.8717 -4.8640 -4.8640 -4.0447 -4.0447 -4.0132 -4.0132 -3.9995 -3.9995 3.3409 3.3409 6.7858 6.7858 7.5685 7.5685 7.6541 7.6541 7.9200 7.9200 8.3891 8.3891 10.4964 10.4964 10.5603 10.5603 10.7968 10.7968 14.2477 14.2477 14.4632 14.4632 k = 0.3100-0.1790 0.2531 ( 7680 PWs) bands (ev): -67.8282 -67.8282 -38.4491 -38.4491 -36.3194 -36.3194 -35.8189 -35.8189 -34.5531 -34.5531 -34.5526 -34.5526 -4.8715 -4.8715 -4.8638 -4.8638 -4.0444 -4.0444 -4.0131 -4.0131 -3.9990 -3.9990 3.4068 3.4068 6.7473 6.7473 7.5926 7.5926 7.6802 7.6802 7.9198 7.9198 8.3928 8.3928 10.3880 10.3880 10.4555 10.4555 10.6540 10.6540 14.2506 14.2506 14.4466 14.4466 k = 0.3200-0.1848 0.2613 ( 7668 PWs) bands (ev): -67.8282 -67.8282 -38.4491 -38.4491 -36.3193 -36.3193 -35.8190 -35.8190 -34.5531 -34.5531 -34.5526 -34.5526 -4.8712 -4.8712 -4.8637 -4.8637 -4.0442 -4.0442 -4.0131 -4.0131 -3.9985 -3.9985 3.4738 3.4738 6.7071 6.7071 7.6172 7.6172 7.7069 7.7069 7.9227 7.9227 8.3964 8.3964 10.2806 10.2806 10.3528 10.3528 10.5165 10.5165 14.2510 14.2510 14.4339 14.4339 k = 0.3300-0.1905 0.2694 ( 7668 PWs) bands (ev): -67.8282 -67.8282 -38.4491 -38.4491 -36.3193 -36.3193 -35.8190 -35.8190 -34.5531 -34.5531 -34.5526 -34.5526 -4.8710 -4.8710 -4.8636 -4.8636 -4.0439 -4.0439 -4.0130 -4.0130 -3.9979 -3.9979 3.5417 3.5417 6.6653 6.6653 7.6422 7.6422 7.7343 7.7343 7.9288 7.9288 8.4001 8.4001 10.1739 10.1739 10.2522 10.2522 10.3850 10.3850 14.2489 14.2489 14.4250 14.4250 k = 0.3400-0.1963 0.2776 ( 7668 PWs) bands (ev): -67.8282 -67.8282 -38.4492 -38.4492 -36.3193 -36.3193 -35.8190 -35.8190 -34.5531 -34.5531 -34.5526 -34.5526 -4.8707 -4.8707 -4.8635 -4.8634 -4.0436 -4.0436 -4.0129 -4.0129 -3.9974 -3.9974 3.6104 3.6104 6.6220 6.6220 7.6672 7.6672 7.7620 7.7620 7.9387 7.9387 8.4039 8.4039 10.0677 10.0677 10.1539 10.1539 10.2601 10.2601 14.2444 14.2444 14.4195 14.4195 k = 0.3500-0.2021 0.2858 ( 7672 PWs) bands (ev): -67.8282 -67.8282 -38.4492 -38.4492 -36.3192 -36.3192 -35.8191 -35.8191 -34.5531 -34.5531 -34.5526 -34.5526 -4.8705 -4.8705 -4.8634 -4.8634 -4.0434 -4.0434 -4.0129 -4.0129 -3.9969 -3.9969 3.6795 3.6795 6.5773 6.5773 7.6922 7.6922 7.7901 7.7901 7.9524 7.9524 8.4076 8.4076 9.9619 9.9619 10.0580 10.0580 10.1424 10.1424 14.2380 14.2380 14.4170 14.4170 k = 0.3600-0.2078 0.2939 ( 7676 PWs) bands (ev): -67.8282 -67.8282 -38.4492 -38.4492 -36.3192 -36.3192 -35.8191 -35.8191 -34.5531 -34.5531 -34.5526 -34.5526 -4.8702 -4.8702 -4.8633 -4.8633 -4.0431 -4.0431 -4.0129 -4.0129 -3.9964 -3.9964 3.7488 3.7488 6.5315 6.5315 7.7167 7.7167 7.8183 7.8183 7.9702 7.9702 8.4114 8.4114 9.8567 9.8567 9.9646 9.9646 10.0320 10.0320 14.2303 14.2303 14.4166 14.4166 k = 0.3700-0.2136 0.3021 ( 7676 PWs) bands (ev): -67.8282 -67.8282 -38.4492 -38.4492 -36.3192 -36.3192 -35.8192 -35.8192 -34.5531 -34.5531 -34.5526 -34.5526 -4.8700 -4.8700 -4.8632 -4.8632 -4.0429 -4.0429 -4.0128 -4.0128 -3.9960 -3.9960 3.8180 3.8180 6.4846 6.4846 7.7405 7.7405 7.8469 7.8469 7.9919 7.9919 8.4153 8.4153 9.7530 9.7530 9.8737 9.8737 9.9287 9.9287 14.2220 14.2220 14.4178 14.4178 k = 0.3800-0.2194 0.3103 ( 7676 PWs) bands (ev): -67.8282 -67.8282 -38.4492 -38.4492 -36.3192 -36.3192 -35.8192 -35.8192 -34.5531 -34.5531 -34.5526 -34.5526 -4.8697 -4.8697 -4.8632 -4.8632 -4.0427 -4.0427 -4.0128 -4.0128 -3.9955 -3.9955 3.8868 3.8868 6.4370 6.4370 7.7635 7.7635 7.8757 7.8757 8.0174 8.0174 8.4193 8.4193 9.6516 9.6516 9.7857 9.7857 9.8320 9.8320 14.2133 14.2133 14.4200 14.4200 k = 0.3900-0.2252 0.3184 ( 7696 PWs) bands (ev): -67.8282 -67.8282 -38.4492 -38.4492 -36.3192 -36.3192 -35.8192 -35.8192 -34.5532 -34.5532 -34.5526 -34.5526 -4.8694 -4.8694 -4.8631 -4.8631 -4.0425 -4.0425 -4.0128 -4.0128 -3.9951 -3.9951 3.9545 3.9545 6.3890 6.3890 7.7856 7.7856 7.9049 7.9049 8.0460 8.0460 8.4234 8.4234 9.5538 9.5538 9.7006 9.7006 9.7412 9.7412 14.2048 14.2048 14.4229 14.4229 k = 0.4000-0.2309 0.3266 ( 7708 PWs) bands (ev): -67.8282 -67.8282 -38.4492 -38.4492 -36.3192 -36.3192 -35.8193 -35.8193 -34.5532 -34.5532 -34.5526 -34.5526 -4.8692 -4.8692 -4.8631 -4.8631 -4.0423 -4.0423 -4.0128 -4.0128 -3.9947 -3.9947 4.0209 4.0209 6.3410 6.3410 7.8069 7.8069 7.9344 7.9344 8.0772 8.0772 8.4278 8.4278 9.4607 9.4607 9.6188 9.6188 9.6559 9.6559 14.1966 14.1966 14.4260 14.4260 k = 0.4100-0.2367 0.3348 ( 7692 PWs) bands (ev): -67.8282 -67.8282 -38.4492 -38.4492 -36.3191 -36.3191 -35.8193 -35.8193 -34.5532 -34.5532 -34.5526 -34.5526 -4.8690 -4.8690 -4.8631 -4.8631 -4.0421 -4.0421 -4.0128 -4.0128 -3.9943 -3.9943 4.0852 4.0852 6.2936 6.2936 7.8274 7.8274 7.9640 7.9640 8.1102 8.1102 8.4324 8.4324 9.3733 9.3733 9.5405 9.5405 9.5758 9.5758 14.1890 14.1890 14.4293 14.4293 k = 0.4200-0.2425 0.3429 ( 7692 PWs) bands (ev): -67.8282 -67.8282 -38.4493 -38.4493 -36.3191 -36.3191 -35.8193 -35.8193 -34.5532 -34.5532 -34.5526 -34.5526 -4.8688 -4.8688 -4.8631 -4.8631 -4.0419 -4.0419 -4.0128 -4.0128 -3.9940 -3.9940 4.1468 4.1468 6.2472 6.2472 7.8472 7.8472 7.9933 7.9933 8.1443 8.1443 8.4373 8.4373 9.2926 9.2926 9.4660 9.4660 9.5010 9.5010 14.1820 14.1820 14.4324 14.4324 k = 0.4300-0.2483 0.3511 ( 7676 PWs) bands (ev): -67.8282 -67.8282 -38.4493 -38.4493 -36.3191 -36.3191 -35.8193 -35.8193 -34.5532 -34.5532 -34.5526 -34.5526 -4.8685 -4.8685 -4.8631 -4.8631 -4.0417 -4.0417 -4.0128 -4.0128 -3.9937 -3.9937 4.2049 4.2049 6.2028 6.2028 7.8662 7.8662 8.0216 8.0216 8.1784 8.1784 8.4427 8.4427 9.2193 9.2193 9.3959 9.3959 9.4317 9.4317 14.1757 14.1757 14.4354 14.4354 k = 0.4400-0.2540 0.3593 ( 7684 PWs) bands (ev): -67.8282 -67.8282 -38.4493 -38.4493 -36.3191 -36.3191 -35.8194 -35.8194 -34.5532 -34.5532 -34.5526 -34.5526 -4.8684 -4.8684 -4.8631 -4.8631 -4.0416 -4.0416 -4.0128 -4.0128 -3.9934 -3.9934 4.2585 4.2585 6.1611 6.1611 7.8843 7.8843 8.0486 8.0486 8.2116 8.2116 8.4486 8.4486 9.1544 9.1544 9.3307 9.3307 9.3684 9.3684 14.1702 14.1702 14.4381 14.4381 k = 0.4500-0.2598 0.3674 ( 7684 PWs) bands (ev): -67.8282 -67.8282 -38.4493 -38.4493 -36.3191 -36.3191 -35.8194 -35.8194 -34.5532 -34.5532 -34.5526 -34.5526 -4.8682 -4.8682 -4.8631 -4.8631 -4.0415 -4.0415 -4.0128 -4.0128 -3.9932 -3.9932 4.3067 4.3067 6.1231 6.1231 7.9011 7.9011 8.0733 8.0733 8.2428 8.2428 8.4551 8.4551 9.0986 9.0986 9.2714 9.2714 9.3117 9.3117 14.1655 14.1655 14.4405 14.4405 k = 0.4600-0.2656 0.3756 ( 7684 PWs) bands (ev): -67.8282 -67.8282 -38.4493 -38.4493 -36.3191 -36.3191 -35.8194 -35.8194 -34.5532 -34.5532 -34.5526 -34.5526 -4.8681 -4.8681 -4.8632 -4.8632 -4.0414 -4.0414 -4.0128 -4.0128 -3.9930 -3.9930 4.3482 4.3482 6.0899 6.0899 7.9161 7.9161 8.0950 8.0950 8.2704 8.2704 8.4622 8.4622 9.0525 9.0525 9.2192 9.2192 9.2625 9.2625 14.1616 14.1616 14.4425 14.4425 k = 0.4700-0.2714 0.3838 ( 7688 PWs) bands (ev): -67.8282 -67.8282 -38.4493 -38.4493 -36.3191 -36.3191 -35.8194 -35.8194 -34.5532 -34.5532 -34.5526 -34.5526 -4.8679 -4.8679 -4.8632 -4.8632 -4.0413 -4.0413 -4.0128 -4.0128 -3.9929 -3.9929 4.3821 4.3821 6.0625 6.0625 7.9288 7.9288 8.1129 8.1129 8.2932 8.2932 8.4695 8.4695 9.0167 9.0167 9.1756 9.1756 9.2220 9.2220 14.1586 14.1586 14.4440 14.4440 k = 0.4800-0.2771 0.3919 ( 7680 PWs) bands (ev): -67.8282 -67.8282 -38.4493 -38.4493 -36.3190 -36.3190 -35.8194 -35.8194 -34.5532 -34.5532 -34.5526 -34.5526 -4.8679 -4.8679 -4.8632 -4.8632 -4.0413 -4.0413 -4.0128 -4.0128 -3.9928 -3.9928 4.4073 4.4073 6.0421 6.0421 7.9385 7.9385 8.1263 8.1263 8.3099 8.3099 8.4763 8.4763 8.9913 8.9913 9.1424 9.1424 9.1916 9.1916 14.1564 14.1564 14.4452 14.4452 k = 0.4900-0.2829 0.4001 ( 7672 PWs) bands (ev): -67.8282 -67.8282 -38.4493 -38.4493 -36.3190 -36.3190 -35.8194 -35.8194 -34.5532 -34.5532 -34.5526 -34.5526 -4.8678 -4.8678 -4.8632 -4.8632 -4.0412 -4.0412 -4.0128 -4.0128 -3.9927 -3.9927 4.4228 4.4228 6.0294 6.0294 7.9446 7.9446 8.1347 8.1347 8.3201 8.3201 8.4812 8.4812 8.9763 8.9763 9.1214 9.1214 9.1727 9.1727 14.1551 14.1551 14.4459 14.4459 k = 0.5000-0.2887 0.4082 ( 7640 PWs) bands (ev): -67.8282 -67.8282 -38.4493 -38.4493 -36.3190 -36.3190 -35.8194 -35.8194 -34.5532 -34.5532 -34.5526 -34.5526 -4.8678 -4.8678 -4.8632 -4.8632 -4.0412 -4.0412 -4.0128 -4.0128 -3.9927 -3.9927 4.4280 4.4280 6.0251 6.0251 7.9467 7.9467 8.1375 8.1375 8.3235 8.3235 8.4831 8.4831 8.9713 8.9713 9.1142 9.1142 9.1662 9.1662 14.1547 14.1547 14.4461 14.4461 k = 0.5000-0.2887 0.4082 ( 7640 PWs) bands (ev): -67.8282 -67.8282 -38.4493 -38.4493 -36.3190 -36.3190 -35.8194 -35.8194 -34.5532 -34.5532 -34.5526 -34.5526 -4.8678 -4.8678 -4.8632 -4.8632 -4.0412 -4.0412 -4.0128 -4.0128 -3.9927 -3.9927 4.4280 4.4280 6.0251 6.0251 7.9467 7.9467 8.1375 8.1375 8.3235 8.3235 8.4831 8.4831 8.9713 8.9713 9.1142 9.1142 9.1662 9.1662 14.1547 14.1547 14.4461 14.4461 k = 0.5000-0.2771 0.4164 ( 7664 PWs) bands (ev): -67.8282 -67.8282 -38.4493 -38.4493 -36.3190 -36.3190 -35.8195 -35.8194 -34.5532 -34.5532 -34.5526 -34.5525 -4.8679 -4.8677 -4.8636 -4.8628 -4.0414 -4.0410 -4.0132 -4.0123 -3.9930 -3.9924 4.4272 4.4286 6.0258 6.0271 7.9395 7.9528 8.1326 8.1407 8.3200 8.3272 8.4665 8.4947 8.9428 8.9645 9.1189 9.1263 9.1746 9.1808 14.1568 14.1580 14.4493 14.4505 k = 0.5000-0.2656 0.4246 ( 7680 PWs) bands (ev): -67.8282 -67.8282 -38.4493 -38.4493 -36.3190 -36.3190 -35.8195 -35.8193 -34.5532 -34.5532 -34.5527 -34.5525 -4.8680 -4.8677 -4.8640 -4.8624 -4.0416 -4.0408 -4.0136 -4.0118 -3.9933 -3.9922 4.4263 4.4290 6.0291 6.0318 7.9313 7.9577 8.1250 8.1429 8.3171 8.3310 8.4442 8.5023 8.9006 8.9299 9.1299 9.1310 9.2073 9.2224 14.1644 14.1668 14.4602 14.4624 k = 0.5000-0.2540 0.4327 ( 7684 PWs) bands (ev): -67.8282 -67.8282 -38.4493 -38.4493 -36.3190 -36.3190 -35.8196 -35.8193 -34.5532 -34.5532 -34.5527 -34.5524 -4.8682 -4.8676 -4.8643 -4.8619 -4.0417 -4.0406 -4.0140 -4.0114 -3.9937 -3.9920 4.4251 4.4291 6.0352 6.0392 7.9222 7.9614 8.1137 8.1442 8.3153 8.3346 8.4155 8.5067 8.8582 8.8881 9.1270 9.1352 9.2589 9.2764 14.1775 14.1810 14.4786 14.4820 k = 0.5000-0.2425 0.4409 ( 7680 PWs) bands (ev): -67.8282 -67.8282 -38.4493 -38.4493 -36.3190 -36.3190 -35.8196 -35.8192 -34.5533 -34.5532 -34.5527 -34.5524 -4.8683 -4.8676 -4.8646 -4.8615 -4.0419 -4.0404 -4.0144 -4.0109 -3.9941 -3.9919 4.4238 4.4291 6.0439 6.0493 7.9120 7.9637 8.0974 8.1440 8.3150 8.3382 8.3808 8.5086 8.8203 8.8473 9.1214 9.1350 9.3179 9.3344 14.1960 14.2006 14.5046 14.5091 k = 0.5000-0.2309 0.4491 ( 7668 PWs) bands (ev): -67.8282 -67.8282 -38.4493 -38.4493 -36.3190 -36.3190 -35.8196 -35.8192 -34.5533 -34.5532 -34.5527 -34.5523 -4.8686 -4.8675 -4.8648 -4.8610 -4.0420 -4.0402 -4.0148 -4.0103 -3.9945 -3.9918 4.4223 4.4289 6.0553 6.0620 7.9005 7.9645 8.0755 8.1405 8.3167 8.3400 8.3442 8.5084 8.7885 8.8107 9.1143 9.1324 9.3790 9.3933 14.2199 14.2255 14.5382 14.5437 k = 0.5000-0.2194 0.4572 ( 7662 PWs) bands (ev): -67.8282 -67.8282 -38.4493 -38.4492 -36.3190 -36.3190 -35.8197 -35.8191 -34.5533 -34.5532 -34.5528 -34.5523 -4.8688 -4.8675 -4.8650 -4.8606 -4.0422 -4.0399 -4.0151 -4.0098 -3.9950 -3.9918 4.4207 4.4285 6.0693 6.0774 7.8869 7.9639 8.0482 8.1296 8.3050 8.3203 8.3458 8.5070 8.7628 8.7793 9.1058 9.1280 9.4401 9.4520 14.2492 14.2556 14.5793 14.5857 k = 0.5000-0.2078 0.4654 ( 7666 PWs) bands (ev): -67.8282 -67.8282 -38.4493 -38.4492 -36.3190 -36.3190 -35.8197 -35.8191 -34.5533 -34.5532 -34.5528 -34.5522 -4.8691 -4.8675 -4.8652 -4.8601 -4.0423 -4.0397 -4.0155 -4.0093 -3.9955 -3.9918 4.4189 4.4280 6.0860 6.0955 7.8699 7.9615 8.0169 8.1051 8.2770 8.3258 8.3497 8.5049 8.7425 8.7535 9.0962 9.1222 9.5002 9.5096 14.2837 14.2909 14.6278 14.6350 k = 0.5000-0.1963 0.4736 ( 7670 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3190 -36.3190 -35.8198 -35.8190 -34.5534 -34.5533 -34.5528 -34.5522 -4.8694 -4.8675 -4.8653 -4.8597 -4.0424 -4.0394 -4.0158 -4.0088 -3.9960 -3.9918 4.4171 4.4273 6.1054 6.1162 7.8472 7.9566 7.9846 8.0645 8.2628 8.3329 8.3541 8.5027 8.7265 8.7330 9.0854 9.1150 9.5586 9.5654 14.3235 14.3313 14.6836 14.6916 k = 0.5000-0.1848 0.4817 ( 7668 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3190 -36.3190 -35.8198 -35.8190 -34.5534 -34.5533 -34.5528 -34.5521 -4.8697 -4.8675 -4.8654 -4.8593 -4.0425 -4.0392 -4.0161 -4.0082 -3.9965 -3.9919 4.4151 4.4265 6.1273 6.1395 7.8158 7.9451 7.9552 8.0158 8.2596 8.3412 8.3590 8.5010 8.7139 8.7172 9.0736 9.1064 9.6147 9.6192 14.3683 14.3765 14.7466 14.7553 k = 0.5000-0.1732 0.4899 ( 7672 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3190 -36.3190 -35.8199 -35.8189 -34.5534 -34.5533 -34.5528 -34.5521 -4.8700 -4.8675 -4.8655 -4.8589 -4.0427 -4.0389 -4.0164 -4.0076 -3.9970 -3.9920 4.4131 4.4256 6.1518 6.1655 7.7738 7.9112 7.9317 7.9805 8.2627 8.3501 8.3648 8.5004 8.7037 8.7052 9.0609 9.0966 9.6682 9.6706 14.4181 14.4266 14.8167 14.8260 k = 0.5000-0.1617 0.4981 ( 7658 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3190 -36.3190 -35.8199 -35.8189 -34.5535 -34.5533 -34.5528 -34.5520 -4.8703 -4.8675 -4.8656 -4.8585 -4.0428 -4.0387 -4.0166 -4.0071 -3.9976 -3.9921 4.4111 4.4246 6.1789 6.1941 7.7225 7.8508 7.9139 7.9665 8.2688 8.3592 8.3716 8.5010 8.6955 8.6964 9.0473 9.0856 9.7189 9.7193 14.4726 14.4812 14.8936 14.9034 k = 0.5000-0.1501 0.5062 ( 7658 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3190 -36.3190 -35.8199 -35.8189 -34.5535 -34.5533 -34.5528 -34.5520 -4.8706 -4.8675 -4.8656 -4.8581 -4.0428 -4.0384 -4.0169 -4.0065 -3.9981 -3.9923 4.4090 4.4236 6.2085 6.2252 7.6644 7.7806 7.9003 7.9593 8.2761 8.3681 8.3799 8.5032 8.6888 8.6902 9.0328 9.0734 9.7651 9.7665 14.5317 14.5401 14.9772 14.9873 k = 0.5000-0.1386 0.5144 ( 7660 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3190 -36.3190 -35.8200 -35.8188 -34.5535 -34.5533 -34.5528 -34.5519 -4.8709 -4.8675 -4.8657 -4.8578 -4.0429 -4.0381 -4.0171 -4.0059 -3.9987 -3.9925 4.4070 4.4225 6.2407 6.2589 7.6017 7.7071 7.8894 7.9539 8.2834 8.3763 8.3898 8.5071 8.6831 8.6863 9.0177 9.0601 9.8078 9.8108 14.5950 14.6030 15.0670 15.0774 k = 0.5000-0.1270 0.5226 ( 7660 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3190 -36.3190 -35.8200 -35.8188 -34.5536 -34.5533 -34.5528 -34.5519 -4.8712 -4.8675 -4.8657 -4.8574 -4.0430 -4.0379 -4.0173 -4.0054 -3.9992 -3.9928 4.4050 4.4214 6.2753 6.2951 7.5362 7.6321 7.8804 7.9492 8.2902 8.3836 8.4014 8.5125 8.6784 8.6844 9.0019 9.0459 9.8473 9.8518 14.6622 14.6696 15.1628 15.1733 k = 0.5000-0.1155 0.5307 ( 7656 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3190 -36.3190 -35.8200 -35.8188 -34.5536 -34.5533 -34.5527 -34.5519 -4.8715 -4.8675 -4.8657 -4.8571 -4.0431 -4.0376 -4.0175 -4.0048 -3.9997 -3.9930 4.4031 4.4203 6.3124 6.3338 7.4689 7.5567 7.8727 7.9449 8.2961 8.3898 8.4145 8.5192 8.6745 8.6844 8.9857 9.0307 9.8836 9.8893 14.7329 14.7393 15.2640 15.2745 k = 0.5000-0.1039 0.5389 ( 7652 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3190 -36.3190 -35.8201 -35.8187 -34.5536 -34.5533 -34.5527 -34.5518 -4.8718 -4.8675 -4.8657 -4.8569 -4.0432 -4.0374 -4.0176 -4.0042 -4.0002 -3.9933 4.4013 4.4192 6.3518 6.3749 7.4007 7.4815 7.8660 7.9410 8.3010 8.3949 8.4289 8.5267 8.6711 8.6864 8.9692 9.0147 9.9165 9.9234 14.8064 14.8115 15.3701 15.3805 k = 0.5000-0.0924 0.5471 ( 7642 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3190 -36.3190 -35.8201 -35.8187 -34.5537 -34.5533 -34.5527 -34.5518 -4.8720 -4.8675 -4.8657 -4.8566 -4.0432 -4.0372 -4.0177 -4.0037 -4.0007 -3.9936 4.3996 4.4181 6.3937 6.4185 7.3322 7.4068 7.8603 7.9374 8.3051 8.3990 8.4442 8.5346 8.6682 8.6904 8.9527 8.9981 9.9460 9.9538 14.8819 14.8855 15.4802 15.4904 k = 0.5000-0.0808 0.5552 ( 7658 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3190 -36.3190 -35.8201 -35.8187 -34.5537 -34.5533 -34.5527 -34.5518 -4.8722 -4.8675 -4.8657 -4.8564 -4.0433 -4.0369 -4.0179 -4.0032 -4.0011 -3.9940 4.3981 4.4172 6.4378 6.4644 7.2637 7.3329 7.8553 7.9341 8.3083 8.4023 8.4599 8.5422 8.6658 8.6963 8.9363 8.9810 9.9720 9.9807 14.9584 14.9600 15.5933 15.6032 k = 0.5000-0.0693 0.5634 ( 7652 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3190 -36.3190 -35.8201 -35.8187 -34.5537 -34.5533 -34.5527 -34.5517 -4.8724 -4.8675 -4.8657 -4.8562 -4.0433 -4.0367 -4.0179 -4.0026 -4.0015 -3.9943 4.3967 4.4163 6.4842 6.5126 7.1958 7.2601 7.8510 7.9312 8.3108 8.4048 8.4756 8.5492 8.6638 8.7042 8.9205 8.9637 9.9946 10.0040 15.0338 15.0345 15.7079 15.7175 k = 0.5000-0.0577 0.5715 ( 7650 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3190 -36.3190 -35.8201 -35.8186 -34.5537 -34.5533 -34.5527 -34.5517 -4.8725 -4.8675 -4.8657 -4.8560 -4.0434 -4.0366 -4.0180 -4.0022 -4.0019 -3.9947 4.3955 4.4156 6.5328 6.5631 7.1286 7.1887 7.8474 7.9287 8.3128 8.4068 8.4905 8.5551 8.6621 8.7136 8.9057 8.9466 10.0137 10.0237 15.1049 15.1082 15.8218 15.8310 k = 0.5000-0.0462 0.5797 ( 7640 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3190 -36.3190 -35.8201 -35.8186 -34.5538 -34.5533 -34.5527 -34.5517 -4.8727 -4.8675 -4.8657 -4.8559 -4.0434 -4.0364 -4.0181 -4.0022 -4.0017 -3.9950 4.3945 4.4149 6.5834 6.6157 7.0626 7.1189 7.8445 7.9266 8.3144 8.4082 8.5041 8.5599 8.6608 8.7242 8.8923 8.9300 10.0294 10.0398 15.1708 15.1770 15.9317 15.9404 k = 0.5000-0.0346 0.5879 ( 7640 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3190 -36.3190 -35.8202 -35.8186 -34.5538 -34.5533 -34.5527 -34.5517 -4.8728 -4.8675 -4.8657 -4.8557 -4.0434 -4.0363 -4.0181 -4.0024 -4.0013 -3.9953 4.3937 4.4144 6.6359 6.6702 6.9979 7.0508 7.8423 7.9250 8.3155 8.4093 8.5158 8.5635 8.6597 8.7350 8.8809 8.9148 10.0415 10.0523 15.2282 15.2374 16.0327 16.0410 k = 0.5000-0.0231 0.5960 ( 7636 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3190 -36.3190 -35.8202 -35.8186 -34.5538 -34.5533 -34.5527 -34.5517 -4.8729 -4.8675 -4.8657 -4.8557 -4.0435 -4.0362 -4.0182 -4.0026 -4.0010 -3.9955 4.3931 4.4140 6.6900 6.7261 6.9351 6.9852 7.8406 7.9238 8.3163 8.4100 8.5248 8.5660 8.6590 8.7448 8.8721 8.9021 10.0502 10.0613 15.2735 15.2854 16.1171 16.1252 k = 0.5000-0.0115 0.6042 ( 7628 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3190 -36.3190 -35.8202 -35.8186 -34.5538 -34.5533 -34.5527 -34.5517 -4.8729 -4.8675 -4.8657 -4.8556 -4.0435 -4.0362 -4.0182 -4.0027 -4.0008 -3.9957 4.3928 4.4138 6.7441 6.7814 6.8757 6.9240 7.8397 7.9231 8.3167 8.4104 8.5305 8.5675 8.6586 8.7519 8.8665 8.8933 10.0554 10.0666 15.3027 15.3165 16.1749 16.1828 k = 0.5000-0.0000 0.6124 ( 7612 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3190 -36.3190 -35.8202 -35.8186 -34.5538 -34.5533 -34.5527 -34.5517 -4.8729 -4.8675 -4.8657 -4.8556 -4.0435 -4.0362 -4.0182 -4.0027 -4.0008 -3.9957 4.3927 4.4137 6.7816 6.8175 6.8365 6.8860 7.8394 7.9228 8.3169 8.4105 8.5325 8.5680 8.6585 8.7545 8.8646 8.8901 10.0571 10.0684 15.3129 15.3274 16.1957 16.2036 k = 0.5000-0.0000 0.6124 ( 7612 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3190 -36.3190 -35.8202 -35.8186 -34.5538 -34.5533 -34.5527 -34.5517 -4.8729 -4.8675 -4.8657 -4.8556 -4.0435 -4.0362 -4.0182 -4.0027 -4.0008 -3.9957 4.3927 4.4137 6.7816 6.8175 6.8365 6.8860 7.8394 7.9228 8.3169 8.4105 8.5325 8.5680 8.6585 8.7545 8.8646 8.8901 10.0571 10.0684 15.3129 15.3274 16.1957 16.2036 k = 0.4931 0.0120 0.6124 ( 7630 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3190 -36.3190 -35.8202 -35.8186 -34.5538 -34.5533 -34.5527 -34.5517 -4.8729 -4.8675 -4.8657 -4.8556 -4.0435 -4.0362 -4.0182 -4.0027 -4.0008 -3.9957 4.3918 4.4128 6.7599 6.7972 6.8596 6.9077 7.8396 7.9236 8.3137 8.4075 8.5220 8.5702 8.6575 8.7657 8.8619 8.8984 10.0581 10.0693 15.3052 15.3197 16.1862 16.1945 k = 0.4861 0.0241 0.6124 ( 7638 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3190 -36.3190 -35.8202 -35.8186 -34.5538 -34.5533 -34.5527 -34.5517 -4.8729 -4.8676 -4.8657 -4.8557 -4.0435 -4.0362 -4.0182 -4.0028 -4.0008 -3.9956 4.3894 4.4103 6.7244 6.7616 6.8993 6.9476 7.8401 7.9258 8.3043 8.3991 8.5009 8.5668 8.6577 8.7928 8.8593 8.9195 10.0608 10.0720 15.2806 15.2949 16.1619 16.1719 k = 0.4792 0.0361 0.6124 ( 7632 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3190 -36.3190 -35.8202 -35.8186 -34.5538 -34.5533 -34.5527 -34.5517 -4.8728 -4.8677 -4.8656 -4.8557 -4.0434 -4.0363 -4.0181 -4.0028 -4.0009 -3.9955 4.3858 4.4065 6.6882 6.7247 6.9423 6.9915 7.8411 7.9292 8.2885 8.3868 8.4779 8.5514 8.6650 8.8141 8.8733 8.9490 10.0649 10.0761 15.2379 15.2516 16.1313 16.1438 k = 0.4722 0.0481 0.6124 ( 7647 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3190 -36.3190 -35.8202 -35.8186 -34.5538 -34.5533 -34.5527 -34.5517 -4.8728 -4.8678 -4.8655 -4.8558 -4.0434 -4.0364 -4.0181 -4.0029 -4.0010 -3.9953 4.3811 4.4016 6.6532 6.6888 6.9866 7.0369 7.8423 7.9335 8.2665 8.3724 8.4538 8.5298 8.6763 8.8168 8.9125 8.9850 10.0702 10.0815 15.1777 15.1905 16.1022 16.1165 k = 0.4653 0.0601 0.6124 ( 7653 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3191 -36.3190 -35.8201 -35.8186 -34.5538 -34.5533 -34.5527 -34.5517 -4.8727 -4.8680 -4.8653 -4.8559 -4.0433 -4.0365 -4.0181 -4.0030 -4.0012 -3.9951 4.3757 4.3960 6.6200 6.6547 7.0316 7.0829 7.8437 7.9383 8.2393 8.3568 8.4281 8.5079 8.6876 8.8134 8.9621 9.0260 10.0765 10.0879 15.1028 15.1143 16.0787 16.0936 k = 0.4583 0.0722 0.6124 ( 7665 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3191 -36.3191 -35.8201 -35.8186 -34.5538 -34.5533 -34.5527 -34.5517 -4.8726 -4.8681 -4.8652 -4.8560 -4.0433 -4.0366 -4.0180 -4.0032 -4.0013 -3.9948 4.3698 4.3898 6.5887 6.6227 7.0770 7.1291 7.8452 7.9436 8.2084 8.3396 8.4013 8.4878 8.6974 8.8095 9.0152 9.0706 10.0834 10.0953 15.0171 15.0270 16.0614 16.0758 k = 0.4514 0.0842 0.6124 ( 7669 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3191 -36.3191 -35.8201 -35.8186 -34.5537 -34.5533 -34.5527 -34.5517 -4.8725 -4.8683 -4.8650 -4.8562 -4.0432 -4.0368 -4.0180 -4.0033 -4.0015 -3.9946 4.3636 4.3833 6.5597 6.5929 7.1223 7.1752 7.8467 7.9489 8.1750 8.3188 8.3759 8.4697 8.7055 8.8065 9.0693 9.1174 10.0908 10.1035 14.9248 14.9331 16.0494 16.0626 k = 0.4444 0.0962 0.6124 ( 7660 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3191 -36.3191 -35.8201 -35.8186 -34.5537 -34.5533 -34.5527 -34.5517 -4.8724 -4.8685 -4.8649 -4.8563 -4.0431 -4.0369 -4.0179 -4.0035 -4.0016 -3.9943 4.3573 4.3767 6.5330 6.5655 7.1676 7.2208 7.8480 7.9539 8.1407 8.2926 8.3551 8.4530 8.7119 8.8047 9.1231 9.1649 10.0984 10.1121 14.8297 14.8365 16.0414 16.0531 k = 0.4375 0.1083 0.6124 ( 7660 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3191 -36.3191 -35.8201 -35.8187 -34.5537 -34.5533 -34.5527 -34.5518 -4.8722 -4.8687 -4.8647 -4.8565 -4.0430 -4.0371 -4.0178 -4.0037 -4.0017 -3.9941 4.3511 4.3702 6.5086 6.5406 7.2124 7.2656 7.8488 7.9581 8.1065 8.2613 8.3394 8.4371 8.7169 8.8039 9.1755 9.2119 10.1061 10.1212 14.7352 14.7407 16.0361 16.0461 k = 0.4306 0.1203 0.6124 ( 7656 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3191 -36.3191 -35.8201 -35.8187 -34.5537 -34.5533 -34.5527 -34.5518 -4.8721 -4.8689 -4.8646 -4.8566 -4.0429 -4.0373 -4.0177 -4.0039 -4.0018 -3.9938 4.3452 4.3640 6.4867 6.5181 7.2567 7.3093 7.8487 7.9606 8.0741 8.2272 8.3275 8.4219 8.7209 8.8040 9.2257 9.2572 10.1138 10.1303 14.6441 14.6484 16.0326 16.0409 k = 0.4236 0.1323 0.6124 ( 7655 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3191 -36.3191 -35.8201 -35.8187 -34.5537 -34.5533 -34.5527 -34.5518 -4.8719 -4.8691 -4.8645 -4.8568 -4.0428 -4.0375 -4.0177 -4.0041 -4.0018 -3.9936 4.3396 4.3582 6.4673 6.4983 7.3001 7.3515 7.8471 7.9596 8.0461 8.1924 8.3183 8.4074 8.7239 8.8046 9.2726 9.2998 10.1212 10.1394 14.5586 14.5620 16.0302 16.0370 k = 0.4167 0.1443 0.6124 ( 7655 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3191 -36.3191 -35.8201 -35.8187 -34.5537 -34.5533 -34.5527 -34.5518 -4.8718 -4.8693 -4.8643 -4.8569 -4.0427 -4.0377 -4.0176 -4.0043 -4.0019 -3.9934 4.3345 4.3529 6.4504 6.4810 7.3423 7.3916 7.8431 7.9523 8.0264 8.1582 8.3112 8.3935 8.7263 8.8056 9.3155 9.3386 10.1282 10.1481 14.4807 14.4833 16.0287 16.0341 k = 0.4097 0.1564 0.6124 ( 7661 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3191 -36.3191 -35.8201 -35.8187 -34.5537 -34.5533 -34.5527 -34.5518 -4.8716 -4.8696 -4.8642 -4.8570 -4.0426 -4.0378 -4.0175 -4.0045 -4.0019 -3.9933 4.3300 4.3482 6.4361 6.4663 7.3830 7.4291 7.8354 7.9384 8.0168 8.1257 8.3060 8.3806 8.7282 8.8067 9.3535 9.3728 10.1347 10.1562 14.4120 14.4140 16.0276 16.0318 k = 0.4028 0.1684 0.6124 ( 7657 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3191 -36.3191 -35.8200 -35.8187 -34.5537 -34.5533 -34.5527 -34.5518 -4.8714 -4.8698 -4.8641 -4.8571 -4.0425 -4.0380 -4.0175 -4.0047 -4.0019 -3.9931 4.3262 4.3442 6.4243 6.4543 7.4212 7.4629 7.8228 7.9231 8.0140 8.0963 8.3025 8.3689 8.7297 8.8079 9.3859 9.4016 10.1404 10.1633 14.3539 14.3553 16.0268 16.0301 k = 0.3958 0.1804 0.6124 ( 7653 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3191 -36.3191 -35.8200 -35.8187 -34.5537 -34.5533 -34.5527 -34.5518 -4.8712 -4.8700 -4.8640 -4.8572 -4.0424 -4.0381 -4.0174 -4.0049 -4.0019 -3.9930 4.3232 4.3411 6.4151 6.4449 7.4558 7.4918 7.8060 7.9106 8.0144 8.0709 8.3006 8.3588 8.7308 8.8088 9.4120 9.4244 10.1451 10.1693 14.3074 14.3084 16.0263 16.0288 k = 0.3889 0.1925 0.6124 ( 7648 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3191 -36.3191 -35.8200 -35.8187 -34.5537 -34.5533 -34.5527 -34.5518 -4.8710 -4.8702 -4.8640 -4.8573 -4.0423 -4.0382 -4.0174 -4.0050 -4.0019 -3.9929 4.3210 4.3388 6.4086 6.4382 7.4848 7.5142 7.7881 7.9021 8.0162 8.0509 8.2998 8.3508 8.7315 8.8096 9.4314 9.4407 10.1486 10.1738 14.2736 14.2743 16.0259 16.0279 k = 0.3819 0.2045 0.6124 ( 7646 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3191 -36.3191 -35.8200 -35.8187 -34.5537 -34.5533 -34.5527 -34.5519 -4.8708 -4.8704 -4.8639 -4.8574 -4.0423 -4.0383 -4.0174 -4.0050 -4.0019 -3.9929 4.3197 4.3374 6.4047 6.4342 7.5050 7.5284 7.7741 7.8970 8.0189 8.0369 8.2998 8.3456 8.7320 8.8101 9.4434 9.4504 10.1508 10.1766 14.2530 14.2535 16.0257 16.0274 k = 0.3750 0.2165 0.6124 ( 7642 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3191 -36.3191 -35.8200 -35.8187 -34.5537 -34.5533 -34.5527 -34.5519 -4.8706 -4.8706 -4.8639 -4.8574 -4.0423 -4.0383 -4.0174 -4.0051 -4.0019 -3.9928 4.3193 4.3369 6.4033 6.4329 7.5125 7.5332 7.7687 7.8953 8.0212 8.0308 8.2998 8.3437 8.7321 8.8102 9.4476 9.4535 10.1515 10.1776 14.2461 14.2465 16.0257 16.0272 k = 0.3750 0.2165 0.6124 ( 7642 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3191 -36.3191 -35.8200 -35.8187 -34.5537 -34.5533 -34.5527 -34.5519 -4.8706 -4.8706 -4.8639 -4.8574 -4.0423 -4.0383 -4.0174 -4.0051 -4.0019 -3.9928 4.3193 4.3369 6.4033 6.4329 7.5125 7.5332 7.7687 7.8953 8.0212 8.0308 8.2998 8.3437 8.7321 8.8102 9.4476 9.4535 10.1515 10.1776 14.2461 14.2465 16.0257 16.0272 k = 0.3679 0.2124 0.6008 ( 7650 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3191 -36.3191 -35.8200 -35.8187 -34.5537 -34.5533 -34.5527 -34.5518 -4.8708 -4.8707 -4.8638 -4.8573 -4.0422 -4.0382 -4.0174 -4.0050 -4.0023 -3.9930 4.2996 4.3174 6.4433 6.4751 7.4488 7.4670 7.7505 7.8734 8.0302 8.0337 8.2940 8.3354 8.7627 8.8502 9.4418 9.4524 10.2422 10.2679 14.2460 14.2461 16.1809 16.1824 k = 0.3608 0.2083 0.5893 ( 7646 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3191 -36.3191 -35.8200 -35.8186 -34.5537 -34.5533 -34.5526 -34.5518 -4.8710 -4.8709 -4.8637 -4.8573 -4.0421 -4.0382 -4.0174 -4.0052 -4.0026 -3.9932 4.2774 4.2952 6.4841 6.5184 7.3877 7.4026 7.7339 7.8532 8.0394 8.0401 8.2890 8.3269 8.7945 8.8923 9.4353 9.4517 10.3351 10.3604 14.2458 14.2459 16.3361 16.3375 k = 0.3538 0.2043 0.5777 ( 7656 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3191 -36.3191 -35.8200 -35.8186 -34.5537 -34.5533 -34.5526 -34.5518 -4.8712 -4.8709 -4.8636 -4.8573 -4.0421 -4.0383 -4.0174 -4.0056 -4.0026 -3.9934 4.2525 4.2703 6.5256 6.5625 7.3298 7.3410 7.7184 7.8345 8.0476 8.0504 8.2854 8.3184 8.8271 8.9362 9.4285 9.4520 10.4300 10.4550 14.2455 14.2459 16.4893 16.4906 k = 0.3467 0.2002 0.5662 ( 7648 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3191 -36.3191 -35.8200 -35.8186 -34.5537 -34.5533 -34.5526 -34.5518 -4.8714 -4.8710 -4.8635 -4.8573 -4.0420 -4.0383 -4.0174 -4.0060 -4.0026 -3.9936 4.2249 4.2425 6.5674 6.6070 7.2756 7.2826 7.7041 7.8173 8.0581 8.0604 8.2840 8.3103 8.8600 8.9816 9.4221 9.4541 10.5270 10.5517 14.2453 14.2459 16.6382 16.6392 k = 0.3396 0.1961 0.5546 ( 7634 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3191 -36.3191 -35.8200 -35.8186 -34.5537 -34.5533 -34.5526 -34.5518 -4.8717 -4.8710 -4.8634 -4.8574 -4.0420 -4.0384 -4.0174 -4.0066 -4.0025 -3.9938 4.1945 4.2117 6.6091 6.6516 7.2254 7.2280 7.6907 7.8015 8.0694 8.0705 8.2854 8.3029 8.8926 9.0279 9.4170 9.4591 10.6260 10.6504 14.2453 14.2461 16.7796 16.7802 k = 0.3325 0.1920 0.5430 ( 7636 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4491 -36.3191 -36.3191 -35.8200 -35.8186 -34.5537 -34.5533 -34.5526 -34.5518 -4.8719 -4.8711 -4.8633 -4.8575 -4.0420 -4.0385 -4.0173 -4.0071 -4.0024 -3.9940 4.1613 4.1780 6.6504 6.6960 7.1774 7.1797 7.6782 7.7871 8.0764 8.0842 8.2905 8.2966 8.9244 9.0746 9.4143 9.4679 10.7268 10.7510 14.2455 14.2465 16.9091 16.9096 k = 0.3255 0.1879 0.5315 ( 7644 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4491 -36.3191 -36.3191 -35.8200 -35.8186 -34.5537 -34.5533 -34.5526 -34.5518 -4.8721 -4.8711 -4.8633 -4.8577 -4.0419 -4.0387 -4.0172 -4.0077 -4.0024 -3.9942 4.1252 4.1414 6.6907 6.7400 7.1309 7.1388 7.6668 7.7740 8.0807 8.0984 8.2924 8.2999 8.9551 9.1206 9.4156 9.4815 10.8295 10.8535 14.2459 14.2472 17.0197 17.0221 k = 0.3184 0.1838 0.5199 ( 7644 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4491 -36.3191 -36.3191 -35.8200 -35.8185 -34.5537 -34.5533 -34.5526 -34.5518 -4.8723 -4.8710 -4.8632 -4.8579 -4.0419 -4.0388 -4.0171 -4.0082 -4.0024 -3.9944 4.0864 4.1019 6.7295 6.7831 7.0888 7.1032 7.6563 7.7621 8.0819 8.1118 8.2911 8.3138 8.9845 9.1640 9.4233 9.5008 10.9340 10.9578 14.2466 14.2481 17.0415 17.0735 k = 0.3113 0.1797 0.5084 ( 7650 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4491 -36.3192 -36.3191 -35.8199 -35.8185 -34.5537 -34.5532 -34.5526 -34.5518 -4.8725 -4.8710 -4.8632 -4.8581 -4.0419 -4.0390 -4.0170 -4.0088 -4.0024 -3.9946 4.0448 4.0596 6.7659 6.8251 7.0510 7.0734 7.6467 7.7514 8.0800 8.1230 8.2941 8.3315 9.0128 9.2029 9.4402 9.5267 11.0402 11.0639 14.2476 14.2493 16.9467 16.9744 k = 0.3042 0.1757 0.4968 ( 7650 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4491 -36.3192 -36.3192 -35.8199 -35.8185 -34.5537 -34.5532 -34.5526 -34.5519 -4.8728 -4.8709 -4.8631 -4.8584 -4.0419 -4.0393 -4.0169 -4.0093 -4.0024 -3.9947 4.0007 4.0147 6.7990 6.8657 7.0176 7.0502 7.6380 7.7418 8.0756 8.1305 8.3023 8.3520 9.0407 9.2357 9.4686 9.5593 11.1482 11.1718 14.2489 14.2508 16.8514 16.8785 k = 0.2972 0.1716 0.4853 ( 7656 PWs) bands (ev): -67.8282 -67.8282 -38.4493 -38.4491 -36.3192 -36.3192 -35.8199 -35.8185 -34.5537 -34.5532 -34.5526 -34.5519 -4.8730 -4.8709 -4.8631 -4.8587 -4.0420 -4.0395 -4.0168 -4.0097 -4.0025 -3.9949 3.9542 3.9673 6.8271 6.9046 6.9884 7.0348 7.6302 7.7332 8.0691 8.1337 8.3157 8.3739 9.0695 9.2628 9.5092 9.5988 11.2577 11.2813 14.2507 14.2528 16.7590 16.7859 k = 0.2901 0.1675 0.4737 ( 7650 PWs) bands (ev): -67.8282 -67.8282 -38.4493 -38.4491 -36.3192 -36.3192 -35.8198 -35.8185 -34.5537 -34.5532 -34.5526 -34.5519 -4.8732 -4.8708 -4.8631 -4.8590 -4.0420 -4.0398 -4.0166 -4.0102 -4.0026 -3.9951 3.9054 3.9177 6.8484 6.9417 6.9634 7.0289 7.6231 7.7254 8.0611 8.1331 8.3334 8.3956 9.1007 9.2868 9.5603 9.6448 11.3689 11.3924 14.2528 14.2551 16.6696 16.6966 k = 0.2830 0.1634 0.4622 ( 7652 PWs) bands (ev): -67.8282 -67.8282 -38.4493 -38.4491 -36.3192 -36.3192 -35.8198 -35.8185 -34.5536 -34.5532 -34.5526 -34.5519 -4.8734 -4.8707 -4.8631 -4.8594 -4.0421 -4.0401 -4.0165 -4.0106 -4.0028 -3.9952 3.8545 3.8660 6.8618 6.9423 6.9768 7.0331 7.6166 7.7183 8.0523 8.1295 8.3535 8.4157 9.1362 9.3113 9.6196 9.6970 11.4815 11.5050 14.2554 14.2579 16.5834 16.6106 k = 0.2759 0.1593 0.4506 ( 7666 PWs) bands (ev): -67.8282 -67.8282 -38.4493 -38.4491 -36.3192 -36.3192 -35.8198 -35.8185 -34.5536 -34.5532 -34.5526 -34.5519 -4.8736 -4.8706 -4.8631 -4.8597 -4.0422 -4.0405 -4.0163 -4.0110 -4.0029 -3.9954 3.8019 3.8125 6.8683 6.9252 7.0098 7.0462 7.6108 7.7118 8.0430 8.1238 8.3742 8.4328 9.1777 9.3393 9.6851 9.7548 11.5956 11.6191 14.2585 14.2612 16.5004 16.5278 k = 0.2689 0.1552 0.4391 ( 7666 PWs) bands (ev): -67.8282 -67.8282 -38.4493 -38.4491 -36.3193 -36.3192 -35.8197 -35.8185 -34.5536 -34.5531 -34.5526 -34.5520 -4.8738 -4.8705 -4.8631 -4.8602 -4.0423 -4.0408 -4.0161 -4.0114 -4.0032 -3.9956 3.7477 3.7574 6.8707 6.9117 7.0406 7.0653 7.6054 7.7056 8.0336 8.1171 8.3939 8.4460 9.2266 9.3733 9.7556 9.8178 11.7111 11.7347 14.2621 14.2650 16.4206 16.4483 k = 0.2618 0.1511 0.4275 ( 7654 PWs) bands (ev): -67.8282 -67.8282 -38.4493 -38.4491 -36.3193 -36.3193 -35.8196 -35.8185 -34.5536 -34.5531 -34.5526 -34.5520 -4.8740 -4.8704 -4.8632 -4.8606 -4.0425 -4.0412 -4.0160 -4.0117 -4.0035 -3.9957 3.6921 3.7011 6.8714 6.9016 7.0693 7.0874 7.6004 7.6995 8.0245 8.1098 8.4111 8.4547 9.2838 9.4149 9.8303 9.8855 11.8278 11.8515 14.2662 14.2694 16.3439 16.3721 k = 0.2547 0.1471 0.4160 ( 7654 PWs) bands (ev): -67.8282 -67.8282 -38.4493 -38.4491 -36.3193 -36.3193 -35.8196 -35.8185 -34.5535 -34.5531 -34.5526 -34.5520 -4.8742 -4.8702 -4.8633 -4.8610 -4.0426 -4.0415 -4.0158 -4.0120 -4.0038 -3.9959 3.6355 3.6437 6.8722 6.8948 7.0957 7.1107 7.5956 7.6934 8.0161 8.1025 8.4250 8.4589 9.3496 9.4652 9.9087 9.9575 11.9458 11.9697 14.2709 14.2743 16.2704 16.2990 k = 0.2476 0.1430 0.4044 ( 7656 PWs) bands (ev): -67.8282 -67.8282 -38.4492 -38.4491 -36.3193 -36.3193 -35.8195 -35.8185 -34.5535 -34.5531 -34.5526 -34.5521 -4.8744 -4.8701 -4.8633 -4.8615 -4.0428 -4.0419 -4.0156 -4.0123 -4.0041 -3.9961 3.5781 3.5856 6.8740 6.8909 7.1201 7.1340 7.5908 7.6870 8.0087 8.0955 8.4352 8.4588 9.4241 9.5248 9.9905 10.0336 12.0648 12.0889 14.2762 14.2798 16.1999 16.2291 k = 0.2406 0.1389 0.3928 ( 7646 PWs) bands (ev): -67.8282 -67.8282 -38.4492 -38.4490 -36.3193 -36.3193 -35.8195 -35.8184 -34.5535 -34.5531 -34.5526 -34.5521 -4.8746 -4.8700 -4.8634 -4.8620 -4.0430 -4.0423 -4.0154 -4.0126 -4.0045 -3.9963 3.5201 3.5269 6.8773 6.8898 7.1424 7.1566 7.5859 7.6801 8.0026 8.0891 8.4414 8.4549 9.5068 9.5937 10.0755 10.1136 12.1849 12.2092 14.2822 14.2859 16.1323 16.1624 k = 0.2335 0.1348 0.3813 ( 7638 PWs) bands (ev): -67.8282 -67.8282 -38.4492 -38.4490 -36.3193 -36.3193 -35.8194 -35.8184 -34.5534 -34.5531 -34.5526 -34.5521 -4.8748 -4.8699 -4.8635 -4.8625 -4.0432 -4.0427 -4.0152 -4.0129 -4.0049 -3.9965 3.4618 3.4679 6.8821 6.8913 7.1628 7.1782 7.5808 7.6724 7.9980 8.0837 8.4439 8.4480 9.5974 9.6717 10.1635 10.1972 12.3058 12.3305 14.2887 14.2927 16.0675 16.0987 k = 0.2264 0.1307 0.3697 ( 7662 PWs) bands (ev): -67.8282 -67.8282 -38.4492 -38.4490 -36.3194 -36.3194 -35.8193 -35.8184 -34.5534 -34.5530 -34.5526 -34.5522 -4.8749 -4.8698 -4.8637 -4.8630 -4.0435 -4.0431 -4.0150 -4.0131 -4.0053 -3.9967 3.4034 3.4088 6.8886 6.8950 7.1813 7.1985 7.5753 7.6638 7.9951 8.0793 8.4387 8.4432 9.6951 9.7583 10.2546 10.2843 12.4275 12.4525 14.2960 14.3001 16.0051 16.0376 k = 0.2193 0.1266 0.3582 ( 7666 PWs) bands (ev): -67.8282 -67.8282 -38.4492 -38.4490 -36.3194 -36.3194 -35.8193 -35.8184 -34.5534 -34.5530 -34.5526 -34.5522 -4.8751 -4.8696 -4.8638 -4.8635 -4.0437 -4.0435 -4.0148 -4.0133 -4.0058 -3.9970 3.3450 3.3499 6.8967 6.9009 7.1979 7.2174 7.5693 7.6542 7.9941 8.0762 8.4276 8.4398 9.7994 9.8529 10.3485 10.3747 12.5498 12.5752 14.3039 14.3083 15.9438 15.9782 k = 0.2123 0.1226 0.3466 ( 7670 PWs) bands (ev): -67.8282 -67.8282 -38.4491 -38.4490 -36.3194 -36.3194 -35.8192 -35.8184 -34.5533 -34.5530 -34.5526 -34.5522 -4.8752 -4.8695 -4.8640 -4.8639 -4.0440 -4.0439 -4.0146 -4.0135 -4.0063 -3.9972 3.2870 3.2914 6.9062 6.9087 7.2129 7.2348 7.5627 7.6435 7.9951 8.0745 8.4154 8.4341 9.9097 9.9549 10.4453 10.4684 12.6724 12.6983 14.3126 14.3171 15.8799 15.9145 k = 0.2052 0.1185 0.3351 ( 7660 PWs) bands (ev): -67.8282 -67.8282 -38.4491 -38.4490 -36.3195 -36.3194 -35.8191 -35.8184 -34.5533 -34.5530 -34.5526 -34.5523 -4.8753 -4.8695 -4.8645 -4.8641 -4.0443 -4.0443 -4.0144 -4.0136 -4.0067 -3.9975 3.2295 3.2334 6.9171 6.9181 7.2262 7.2507 7.5555 7.6317 7.9980 8.0743 8.4024 8.4269 10.0257 10.0636 10.5450 10.5653 12.7952 12.8216 14.3220 14.3266 15.8034 15.8265 k = 0.1981 0.1144 0.3235 ( 7652 PWs) bands (ev): -67.8282 -67.8282 -38.4491 -38.4490 -36.3195 -36.3195 -35.8191 -35.8184 -34.5532 -34.5530 -34.5526 -34.5523 -4.8755 -4.8694 -4.8650 -4.8643 -4.0447 -4.0446 -4.0142 -4.0138 -4.0072 -3.9978 3.1727 3.1762 6.9291 6.9293 7.2379 7.2650 7.5475 7.6189 8.0028 8.0756 8.3891 8.4184 10.1467 10.1785 10.6474 10.6652 12.9180 12.9450 14.3322 14.3369 15.7093 15.7226 k = 0.1910 0.1103 0.3120 ( 7654 PWs) bands (ev): -67.8282 -67.8282 -38.4491 -38.4490 -36.3195 -36.3195 -35.8190 -35.8183 -34.5532 -34.5529 -34.5526 -34.5523 -4.8756 -4.8693 -4.8655 -4.8645 -4.0451 -4.0449 -4.0140 -4.0139 -4.0078 -3.9982 3.1167 3.1198 6.9414 6.9425 7.2481 7.2778 7.5387 7.6051 8.0094 8.0785 8.3759 8.4093 10.2724 10.2988 10.7527 10.7682 13.0403 13.0680 14.3431 14.3479 15.6082 15.6177 k = 0.1840 0.1062 0.3004 ( 7668 PWs) bands (ev): -67.8283 -67.8282 -38.4491 -38.4490 -36.3195 -36.3195 -35.8189 -35.8183 -34.5532 -34.5529 -34.5526 -34.5524 -4.8757 -4.8693 -4.8660 -4.8647 -4.0455 -4.0452 -4.0140 -4.0138 -4.0083 -3.9986 3.0618 3.0644 6.9548 6.9566 7.2569 7.2889 7.5293 7.5906 8.0176 8.0828 8.3631 8.3998 10.4025 10.4242 10.8606 10.8741 13.1619 13.1903 14.3548 14.3596 15.5070 15.5149 k = 0.1769 0.1021 0.2889 ( 7668 PWs) bands (ev): -67.8283 -67.8283 -38.4490 -38.4489 -36.3196 -36.3196 -35.8189 -35.8183 -34.5531 -34.5529 -34.5526 -34.5524 -4.8757 -4.8692 -4.8665 -4.8649 -4.0458 -4.0456 -4.0142 -4.0136 -4.0088 -3.9989 3.0080 3.0103 6.9692 6.9716 7.2643 7.2985 7.5191 7.5755 8.0274 8.0887 8.3510 8.3903 10.5366 10.5542 10.9712 10.9829 13.2822 13.3115 14.3672 14.3720 15.4077 15.4150 k = 0.1698 0.0980 0.2773 ( 7672 PWs) bands (ev): -67.8283 -67.8283 -38.4490 -38.4489 -36.3196 -36.3196 -35.8188 -35.8183 -34.5531 -34.5529 -34.5526 -34.5524 -4.8758 -4.8692 -4.8670 -4.8651 -4.0462 -4.0459 -4.0142 -4.0134 -4.0093 -3.9994 2.9554 2.9575 6.9844 6.9873 7.2704 7.3065 7.5084 7.5599 8.0384 8.0958 8.3397 8.3810 10.6743 10.6884 11.0845 11.0945 13.4007 13.4309 14.3804 14.3852 15.3114 15.3186 k = 0.1627 0.0940 0.2657 ( 7668 PWs) bands (ev): -67.8283 -67.8283 -38.4490 -38.4489 -36.3196 -36.3196 -35.8187 -35.8183 -34.5531 -34.5529 -34.5527 -34.5524 -4.8758 -4.8692 -4.8675 -4.8653 -4.0466 -4.0462 -4.0143 -4.0132 -4.0097 -3.9998 2.9043 2.9061 7.0003 7.0034 7.2752 7.3130 7.4972 7.5440 8.0506 8.1043 8.3295 8.3722 10.8154 10.8263 11.2003 11.2089 13.5167 13.5479 14.3944 14.3990 15.2186 15.2259 k = 0.1557 0.0899 0.2542 ( 7672 PWs) bands (ev): -67.8283 -67.8283 -38.4490 -38.4489 -36.3196 -36.3196 -35.8187 -35.8183 -34.5530 -34.5529 -34.5527 -34.5525 -4.8758 -4.8692 -4.8680 -4.8656 -4.0469 -4.0466 -4.0144 -4.0131 -4.0102 -4.0003 2.8547 2.8562 7.0166 7.0200 7.2789 7.3179 7.4856 7.5278 8.0638 8.1138 8.3203 8.3639 10.9595 10.9677 11.3187 11.3259 13.6293 13.6615 14.4091 14.4135 15.1300 15.1375 k = 0.1486 0.0858 0.2426 ( 7678 PWs) bands (ev): -67.8283 -67.8283 -38.4489 -38.4489 -36.3197 -36.3197 -35.8186 -35.8182 -34.5530 -34.5528 -34.5527 -34.5525 -4.8759 -4.8693 -4.8684 -4.8658 -4.0472 -4.0469 -4.0144 -4.0129 -4.0107 -4.0008 2.8067 2.8080 7.0333 7.0369 7.2814 7.3214 7.4737 7.5117 8.0778 8.1243 8.3124 8.3563 11.1065 11.1122 11.4395 11.4455 13.7372 13.7705 14.4244 14.4286 15.0464 15.0541 k = 0.1415 0.0817 0.2311 ( 7676 PWs) bands (ev): -67.8283 -67.8283 -38.4489 -38.4489 -36.3197 -36.3197 -35.8185 -35.8182 -34.5530 -34.5528 -34.5527 -34.5525 -4.8758 -4.8693 -4.8688 -4.8661 -4.0476 -4.0473 -4.0145 -4.0127 -4.0111 -4.0013 2.7604 2.7616 7.0502 7.0539 7.2829 7.3234 7.4617 7.4956 8.0925 8.1357 8.3057 8.3495 11.2560 11.2594 11.5627 11.5676 13.8390 13.8734 14.4403 14.4444 14.9685 14.9765 k = 0.1344 0.0776 0.2195 ( 7675 PWs) bands (ev): -67.8283 -67.8283 -38.4489 -38.4489 -36.3197 -36.3197 -35.8185 -35.8182 -34.5529 -34.5528 -34.5527 -34.5525 -4.8758 -4.8694 -4.8692 -4.8664 -4.0479 -4.0476 -4.0145 -4.0126 -4.0115 -4.0018 2.7160 2.7169 7.0672 7.0709 7.2835 7.3242 7.4497 7.4798 8.1077 8.1477 8.3003 8.3436 11.4078 11.4092 11.6882 11.6920 13.9326 13.9679 14.4565 14.4606 14.8979 14.9059 k = 0.1274 0.0735 0.2080 ( 7669 PWs) bands (ev): -67.8283 -67.8283 -38.4489 -38.4488 -36.3197 -36.3197 -35.8184 -35.8182 -34.5529 -34.5528 -34.5527 -34.5526 -4.8758 -4.8696 -4.8695 -4.8666 -4.0482 -4.0479 -4.0145 -4.0124 -4.0118 -4.0024 2.6734 2.6742 7.0841 7.0878 7.2831 7.3237 7.4377 7.4643 8.1232 8.1602 8.2960 8.3384 11.5611 11.5615 11.8158 11.8187 14.0153 14.0515 14.4727 14.4772 14.8366 14.8441 k = 0.1203 0.0694 0.1964 ( 7669 PWs) bands (ev): -67.8283 -67.8283 -38.4489 -38.4488 -36.3198 -36.3198 -35.8184 -35.8181 -34.5529 -34.5528 -34.5527 -34.5526 -4.8757 -4.8700 -4.8696 -4.8669 -4.0485 -4.0483 -4.0145 -4.0123 -4.0122 -4.0030 2.6328 2.6334 7.1007 7.1045 7.2821 7.3222 7.4260 7.4493 8.1389 8.1731 8.2930 8.3341 11.7148 11.7169 11.9454 11.9475 14.0839 14.1204 14.4881 14.4940 14.7874 14.7935 k = 0.1132 0.0654 0.1849 ( 7667 PWs) bands (ev): -67.8283 -67.8283 -38.4488 -38.4488 -36.3198 -36.3198 -35.8183 -35.8181 -34.5529 -34.5528 -34.5527 -34.5526 -4.8756 -4.8703 -4.8697 -4.8672 -4.0488 -4.0486 -4.0145 -4.0124 -4.0122 -4.0036 2.5941 2.5947 7.1171 7.1208 7.2804 7.3196 7.4146 7.4349 8.1547 8.1862 8.2910 8.3306 11.8701 11.8736 12.0769 12.0783 14.1347 14.1706 14.5023 14.5105 14.7538 14.7570 k = 0.1061 0.0613 0.1733 ( 7651 PWs) bands (ev): -67.8283 -67.8283 -38.4488 -38.4488 -36.3198 -36.3198 -35.8182 -35.8181 -34.5528 -34.5528 -34.5527 -34.5526 -4.8755 -4.8706 -4.8698 -4.8675 -4.0491 -4.0489 -4.0145 -4.0127 -4.0121 -4.0042 2.5576 2.5580 7.1329 7.1366 7.2781 7.3162 7.4036 7.4211 8.1704 8.1993 8.2899 8.3278 12.0266 12.0314 12.2100 12.2108 14.1650 14.1988 14.5155 14.5260 14.7369 14.7377 k = 0.0991 0.0572 0.1618 ( 7655 PWs) bands (ev): -67.8283 -67.8283 -38.4488 -38.4488 -36.3198 -36.3198 -35.8182 -35.8181 -34.5528 -34.5528 -34.5527 -34.5526 -4.8754 -4.8709 -4.8700 -4.8678 -4.0493 -4.0492 -4.0145 -4.0129 -4.0120 -4.0048 2.5232 2.5235 7.1482 7.1519 7.2754 7.3121 7.3932 7.4082 8.1859 8.2124 8.2898 8.3256 12.1839 12.1897 12.3444 12.3448 14.1744 14.2046 14.5291 14.5405 14.7329 14.7372 k = 0.0920 0.0531 0.1502 ( 7661 PWs) bands (ev): -67.8283 -67.8283 -38.4488 -38.4488 -36.3198 -36.3198 -35.8181 -35.8181 -34.5528 -34.5528 -34.5527 -34.5526 -4.8753 -4.8712 -4.8701 -4.8681 -4.0496 -4.0495 -4.0145 -4.0130 -4.0119 -4.0054 2.4909 2.4912 7.1627 7.1664 7.2724 7.3073 7.3835 7.3961 8.2010 8.2252 8.2904 8.3240 12.3416 12.3483 12.4800 12.4800 14.1662 14.1918 14.5443 14.5542 14.7411 14.7470 k = 0.0849 0.0490 0.1387 ( 7671 PWs) bands (ev): -67.8283 -67.8283 -38.4488 -38.4488 -36.3199 -36.3199 -35.8181 -35.8180 -34.5528 -34.5527 -34.5527 -34.5527 -4.8751 -4.8714 -4.8703 -4.8684 -4.0498 -4.0497 -4.0145 -4.0131 -4.0119 -4.0060 2.4609 2.4611 7.1763 7.1801 7.2691 7.3021 7.3745 7.3850 8.2157 8.2377 8.2916 8.3230 12.4993 12.5066 12.6161 12.6162 14.1457 14.1668 14.5611 14.5676 14.7562 14.7611 k = 0.0778 0.0449 0.1271 ( 7679 PWs) bands (ev): -67.8283 -67.8283 -38.4488 -38.4487 -36.3199 -36.3199 -35.8181 -35.8180 -34.5528 -34.5527 -34.5527 -34.5527 -4.8749 -4.8716 -4.8705 -4.8687 -4.0501 -4.0500 -4.0144 -4.0132 -4.0119 -4.0066 2.4332 2.4333 7.1889 7.1927 7.2658 7.2965 7.3664 7.3749 8.2297 8.2497 8.2934 8.3223 12.6565 12.6639 12.7526 12.7526 14.1178 14.1351 14.5785 14.5807 14.7736 14.7758 k = 0.0708 0.0409 0.1155 ( 7687 PWs) bands (ev): -67.8283 -67.8283 -38.4487 -38.4487 -36.3199 -36.3199 -35.8180 -35.8180 -34.5528 -34.5527 -34.5527 -34.5527 -4.8748 -4.8718 -4.8707 -4.8690 -4.0503 -4.0502 -4.0144 -4.0132 -4.0118 -4.0072 2.4077 2.4078 7.2003 7.2043 7.2624 7.2908 7.3592 7.3661 8.2431 8.2610 8.2956 8.3219 12.8126 12.8197 12.8886 12.8890 14.0866 14.1008 14.5932 14.5960 14.7891 14.7908 k = 0.0637 0.0368 0.1040 ( 7691 PWs) bands (ev): -67.8283 -67.8283 -38.4487 -38.4487 -36.3199 -36.3199 -35.8180 -35.8180 -34.5527 -34.5527 -34.5527 -34.5527 -4.8746 -4.8720 -4.8709 -4.8693 -4.0505 -4.0505 -4.0143 -4.0132 -4.0118 -4.0078 2.3846 2.3847 7.2106 7.2146 7.2592 7.2850 7.3531 7.3584 8.2556 8.2716 8.2980 8.3218 12.9668 12.9731 13.0234 13.0246 14.0547 14.0664 14.6050 14.6129 14.8004 14.8066 k = 0.0566 0.0327 0.0924 ( 7699 PWs) bands (ev): -67.8283 -67.8283 -38.4487 -38.4487 -36.3199 -36.3199 -35.8180 -35.8180 -34.5527 -34.5527 -34.5527 -34.5527 -4.8743 -4.8721 -4.8710 -4.8697 -4.0507 -4.0506 -4.0142 -4.0131 -4.0118 -4.0084 2.3638 2.3639 7.2194 7.2235 7.2562 7.2793 7.3481 7.3520 8.2673 8.2813 8.3006 8.3217 13.1180 13.1228 13.1561 13.1585 14.0239 14.0336 14.6159 14.6287 14.8100 14.8208 k = 0.0495 0.0286 0.0809 ( 7707 PWs) bands (ev): -67.8283 -67.8283 -38.4487 -38.4487 -36.3200 -36.3200 -35.8180 -35.8180 -34.5527 -34.5527 -34.5527 -34.5527 -4.8741 -4.8722 -4.8712 -4.8700 -4.0508 -4.0508 -4.0141 -4.0130 -4.0118 -4.0090 2.3455 2.3455 7.2269 7.2309 7.2534 7.2737 7.3442 7.3469 8.2778 8.2901 8.3033 8.3218 13.2651 13.2672 13.2853 13.2897 13.9953 14.0034 14.6257 14.6428 14.8188 14.8338 k = 0.0425 0.0245 0.0693 ( 7707 PWs) bands (ev): -67.8283 -67.8283 -38.4487 -38.4487 -36.3200 -36.3200 -35.8179 -35.8179 -34.5527 -34.5527 -34.5527 -34.5527 -4.8739 -4.8723 -4.8714 -4.8703 -4.0510 -4.0510 -4.0140 -4.0130 -4.0119 -4.0095 2.3295 2.3295 7.2330 7.2369 7.2511 7.2685 7.3413 7.3431 8.2873 8.2978 8.3060 8.3218 13.4028 13.4062 13.4092 13.4183 13.9699 13.9766 14.6341 14.6540 14.8282 14.8461 k = 0.0354 0.0204 0.0578 ( 7707 PWs) bands (ev): -67.8283 -67.8283 -38.4487 -38.4487 -36.3200 -36.3200 -35.8179 -35.8179 -34.5527 -34.5527 -34.5527 -34.5527 -4.8736 -4.8723 -4.8716 -4.8706 -4.0511 -4.0511 -4.0138 -4.0129 -4.0119 -4.0101 2.3160 2.3160 7.2378 7.2414 7.2492 7.2637 7.3394 7.3404 8.2956 8.3043 8.3086 8.3217 13.5244 13.5253 13.5390 13.5445 13.9483 13.9538 14.6407 14.6609 14.8404 14.8588 k = 0.0283 0.0163 0.0462 ( 7703 PWs) bands (ev): -67.8283 -67.8283 -38.4487 -38.4487 -36.3200 -36.3200 -35.8179 -35.8179 -34.5527 -34.5527 -34.5527 -34.5527 -4.8733 -4.8723 -4.8717 -4.8709 -4.0512 -4.0512 -4.0136 -4.0128 -4.0120 -4.0106 2.3049 2.3049 7.2415 7.2446 7.2478 7.2593 7.3382 7.3387 8.3026 8.3096 8.3111 8.3215 13.6300 13.6307 13.6604 13.6628 13.9314 13.9359 14.6448 14.6617 14.8573 14.8733 k = 0.0212 0.0123 0.0347 ( 7703 PWs) bands (ev): -67.8283 -67.8283 -38.4487 -38.4487 -36.3200 -36.3200 -35.8179 -35.8179 -34.5527 -34.5527 -34.5527 -34.5527 -4.8731 -4.8723 -4.8719 -4.8712 -4.0513 -4.0513 -4.0133 -4.0127 -4.0121 -4.0110 2.2962 2.2962 7.2441 7.2467 7.2470 7.2556 7.3376 7.3378 8.3083 8.3133 8.3137 8.3210 13.7181 13.7189 13.7660 13.7670 13.9204 13.9240 14.6449 14.6556 14.8805 14.8911 k = 0.0142 0.0082 0.0231 ( 7707 PWs) bands (ev): -67.8283 -67.8283 -38.4487 -38.4487 -36.3200 -36.3200 -35.8179 -35.8179 -34.5527 -34.5527 -34.5527 -34.5527 -4.8728 -4.8723 -4.8720 -4.8716 -4.0514 -4.0514 -4.0130 -4.0125 -4.0121 -4.0115 2.2900 2.2900 7.2459 7.2469 7.2479 7.2524 7.3373 7.3374 8.3127 8.3153 8.3164 8.3203 13.7825 13.7829 13.8500 13.8506 13.9170 13.9195 14.6403 14.6446 14.9087 14.9129 k = 0.0071 0.0041 0.0116 ( 7727 PWs) bands (ev): -67.8283 -67.8283 -38.4487 -38.4487 -36.3200 -36.3200 -35.8179 -35.8179 -34.5527 -34.5527 -34.5527 -34.5527 -4.8725 -4.8722 -4.8721 -4.8719 -4.0514 -4.0514 -4.0127 -4.0124 -4.0122 -4.0119 2.2863 2.2863 7.2469 7.2475 7.2483 7.2500 7.3372 7.3372 8.3158 8.3170 8.3178 8.3193 13.8180 13.8180 13.9055 13.9058 13.9212 13.9225 14.6332 14.6339 14.9349 14.9351 k = 0.0000 0.0000 0.0000 ( 7727 PWs) bands (ev): -67.8283 -67.8283 -38.4487 -38.4487 -36.3200 -36.3200 -35.8179 -35.8179 -34.5527 -34.5527 -34.5527 -34.5527 -4.8722 -4.8722 -4.8722 -4.8722 -4.0514 -4.0514 -4.0123 -4.0123 -4.0123 -4.0123 2.2851 2.2851 7.2481 7.2481 7.2481 7.2481 7.3372 7.3372 8.3179 8.3179 8.3179 8.3179 13.8281 13.8281 13.9252 13.9252 13.9252 13.9252 14.6295 14.6295 14.9460 14.9461 k = 0.0000 0.0000 0.0000 ( 7727 PWs) bands (ev): -67.8283 -67.8283 -38.4487 -38.4487 -36.3200 -36.3200 -35.8179 -35.8179 -34.5527 -34.5527 -34.5527 -34.5527 -4.8722 -4.8722 -4.8722 -4.8722 -4.0514 -4.0514 -4.0123 -4.0123 -4.0123 -4.0123 2.2851 2.2851 7.2481 7.2481 7.2481 7.2481 7.3372 7.3372 8.3179 8.3179 8.3179 8.3179 13.8281 13.8281 13.9252 13.9252 13.9252 13.9252 14.6295 14.6295 14.9460 14.9460 k = 0.0116 0.0067 0.0047 ( 7727 PWs) bands (ev): -67.8283 -67.8283 -38.4487 -38.4487 -36.3200 -36.3200 -35.8179 -35.8179 -34.5527 -34.5527 -34.5527 -34.5527 -4.8725 -4.8722 -4.8722 -4.8719 -4.0514 -4.0514 -4.0127 -4.0123 -4.0123 -4.0119 2.2863 2.2863 7.2469 7.2478 7.2478 7.2501 7.3372 7.3372 8.3158 8.3173 8.3173 8.3194 13.8177 13.8177 13.9060 13.9060 13.9207 13.9221 14.6337 14.6337 14.9371 14.9371 k = 0.0233 0.0134 0.0095 ( 7703 PWs) bands (ev): -67.8283 -67.8283 -38.4487 -38.4487 -36.3200 -36.3200 -35.8179 -35.8179 -34.5527 -34.5527 -34.5527 -34.5527 -4.8728 -4.8721 -4.8721 -4.8715 -4.0514 -4.0514 -4.0130 -4.0123 -4.0123 -4.0115 2.2901 2.2901 7.2465 7.2469 7.2469 7.2527 7.3373 7.3373 8.3131 8.3157 8.3157 8.3202 13.7748 13.7748 13.8645 13.8645 13.9086 13.9114 14.6447 14.6447 14.9176 14.9176 k = 0.0349 0.0201 0.0142 ( 7697 PWs) bands (ev): -67.8283 -67.8283 -38.4487 -38.4487 -36.3200 -36.3200 -35.8179 -35.8179 -34.5527 -34.5527 -34.5527 -34.5527 -4.8731 -4.8721 -4.8721 -4.8712 -4.0513 -4.0513 -4.0133 -4.0124 -4.0124 -4.0110 2.2964 2.2964 7.2452 7.2452 7.2467 7.2561 7.3378 7.3378 8.3099 8.3129 8.3129 8.3205 13.6818 13.6818 13.8289 13.8289 13.8896 13.8938 14.6586 14.6586 14.8986 14.8986 k = 0.0465 0.0269 0.0190 ( 7712 PWs) bands (ev): -67.8283 -67.8283 -38.4487 -38.4487 -36.3200 -36.3200 -35.8179 -35.8179 -34.5527 -34.5527 -34.5527 -34.5527 -4.8734 -4.8720 -4.8720 -4.8709 -4.0512 -4.0512 -4.0136 -4.0124 -4.0124 -4.0105 2.3051 2.3051 7.2425 7.2425 7.2476 7.2601 7.3387 7.3387 8.3061 8.3091 8.3091 8.3203 13.5519 13.5519 13.7969 13.7969 13.8646 13.8701 14.6714 14.6714 14.8856 14.8856 k = 0.0581 0.0336 0.0237 ( 7706 PWs) bands (ev): -67.8283 -67.8283 -38.4487 -38.4487 -36.3200 -36.3200 -35.8179 -35.8179 -34.5527 -34.5527 -34.5527 -34.5527 -4.8737 -4.8719 -4.8719 -4.8706 -4.0511 -4.0511 -4.0138 -4.0124 -4.0124 -4.0099 2.3164 2.3164 7.2386 7.2386 7.2492 7.2648 7.3403 7.3403 8.3018 8.3043 8.3043 8.3196 13.4005 13.4005 13.7627 13.7627 13.8346 13.8413 14.6797 14.6797 14.8805 14.8805 k = 0.0698 0.0403 0.0285 ( 7706 PWs) bands (ev): -67.8283 -67.8283 -38.4487 -38.4487 -36.3200 -36.3200 -35.8179 -35.8179 -34.5527 -34.5527 -34.5527 -34.5527 -4.8739 -4.8718 -4.8718 -4.8703 -4.0510 -4.0510 -4.0140 -4.0125 -4.0125 -4.0094 2.3301 2.3301 7.2331 7.2331 7.2514 7.2701 7.3430 7.3430 8.2971 8.2985 8.2985 8.3184 13.2353 13.2353 13.7253 13.7253 13.8004 13.8084 14.6814 14.6814 14.8833 14.8833 k = 0.0814 0.0470 0.0332 ( 7700 PWs) bands (ev): -67.8283 -67.8283 -38.4487 -38.4487 -36.3199 -36.3199 -35.8180 -35.8180 -34.5527 -34.5527 -34.5527 -34.5527 -4.8742 -4.8717 -4.8717 -4.8699 -4.0508 -4.0508 -4.0141 -4.0125 -4.0125 -4.0088 2.3462 2.3462 7.2259 7.2259 7.2541 7.2759 7.3468 7.3468 8.2919 8.2919 8.2920 8.3169 13.0613 13.0613 13.6848 13.6848 13.7630 13.7722 14.6768 14.6768 14.8918 14.8918 k = 0.0930 0.0537 0.0380 ( 7697 PWs) bands (ev): -67.8283 -67.8283 -38.4487 -38.4487 -36.3199 -36.3199 -35.8180 -35.8180 -34.5527 -34.5527 -34.5527 -34.5527 -4.8744 -4.8715 -4.8715 -4.8696 -4.0507 -4.0507 -4.0142 -4.0126 -4.0126 -4.0082 2.3648 2.3648 7.2170 7.2170 7.2574 7.2822 7.3518 7.3518 8.2845 8.2845 8.2867 8.3151 12.8815 12.8815 13.6418 13.6418 13.7230 13.7334 14.6674 14.6674 14.9027 14.9027 k = 0.1047 0.0604 0.0427 ( 7691 PWs) bands (ev): -67.8283 -67.8283 -38.4487 -38.4487 -36.3199 -36.3199 -35.8180 -35.8180 -34.5527 -34.5527 -34.5527 -34.5527 -4.8747 -4.8713 -4.8713 -4.8694 -4.0505 -4.0505 -4.0142 -4.0127 -4.0127 -4.0076 2.3858 2.3858 7.2064 7.2064 7.2611 7.2890 7.3580 7.3580 8.2765 8.2765 8.2813 8.3131 12.6982 12.6982 13.5968 13.5968 13.6811 13.6927 14.6549 14.6549 14.9128 14.9128 k = 0.1163 0.0671 0.0475 ( 7682 PWs) bands (ev): -67.8283 -67.8283 -38.4487 -38.4487 -36.3199 -36.3199 -35.8180 -35.8180 -34.5527 -34.5527 -34.5527 -34.5527 -4.8749 -4.8712 -4.8712 -4.8691 -4.0502 -4.0502 -4.0142 -4.0127 -4.0127 -4.0069 2.4091 2.4091 7.1941 7.1941 7.2651 7.2960 7.3652 7.3652 8.2679 8.2679 8.2759 8.3110 12.5128 12.5128 13.5500 13.5500 13.6378 13.6505 14.6409 14.6409 14.9197 14.9197 k = 0.1279 0.0738 0.0522 ( 7670 PWs) bands (ev): -67.8283 -67.8283 -38.4488 -38.4488 -36.3199 -36.3199 -35.8180 -35.8180 -34.5527 -34.5527 -34.5527 -34.5527 -4.8750 -4.8710 -4.8710 -4.8688 -4.0500 -4.0500 -4.0141 -4.0128 -4.0128 -4.0063 2.4348 2.4348 7.1803 7.1803 7.2695 7.3033 7.3734 7.3734 8.2590 8.2590 8.2705 8.3090 12.3265 12.3265 13.5018 13.5018 13.5934 13.6072 14.6261 14.6261 14.9216 14.9216 k = 0.1395 0.0806 0.0570 ( 7658 PWs) bands (ev): -67.8283 -67.8283 -38.4488 -38.4488 -36.3199 -36.3199 -35.8181 -35.8181 -34.5527 -34.5527 -34.5527 -34.5527 -4.8752 -4.8707 -4.8707 -4.8685 -4.0498 -4.0498 -4.0140 -4.0129 -4.0129 -4.0057 2.4628 2.4628 7.1650 7.1650 7.2741 7.3107 7.3824 7.3824 8.2497 8.2497 8.2654 8.3071 12.1402 12.1402 13.4524 13.4524 13.5482 13.5630 14.6111 14.6111 14.9180 14.9180 k = 0.1512 0.0873 0.0617 ( 7658 PWs) bands (ev): -67.8283 -67.8283 -38.4488 -38.4488 -36.3198 -36.3198 -35.8181 -35.8181 -34.5527 -34.5527 -34.5527 -34.5527 -4.8754 -4.8705 -4.8705 -4.8683 -4.0495 -4.0495 -4.0138 -4.0130 -4.0130 -4.0050 2.4930 2.4930 7.1484 7.1484 7.2788 7.3181 7.3921 7.3921 8.2403 8.2403 8.2607 8.3055 11.9548 11.9548 13.4019 13.4019 13.5024 13.5182 14.5965 14.5965 14.9084 14.9084 k = 0.1628 0.0940 0.0665 ( 7664 PWs) bands (ev): -67.8283 -67.8283 -38.4488 -38.4488 -36.3198 -36.3198 -35.8181 -35.8181 -34.5527 -34.5527 -34.5527 -34.5527 -4.8755 -4.8703 -4.8703 -4.8681 -4.0492 -4.0492 -4.0136 -4.0131 -4.0131 -4.0044 2.5254 2.5254 7.1305 7.1305 7.2836 7.3255 7.4022 7.4022 8.2310 8.2310 8.2565 8.3043 11.7707 11.7707 13.3506 13.3506 13.4562 13.4729 14.5824 14.5824 14.8932 14.8932 k = 0.1744 0.1007 0.0712 ( 7664 PWs) bands (ev): -67.8283 -67.8283 -38.4488 -38.4488 -36.3198 -36.3198 -35.8182 -35.8182 -34.5528 -34.5528 -34.5527 -34.5527 -4.8756 -4.8700 -4.8700 -4.8679 -4.0489 -4.0489 -4.0134 -4.0132 -4.0132 -4.0037 2.5599 2.5599 7.1115 7.1115 7.2883 7.3326 7.4127 7.4127 8.2219 8.2219 8.2530 8.3035 11.5884 11.5884 13.2986 13.2986 13.4096 13.4272 14.5690 14.5690 14.8730 14.8730 k = 0.1860 0.1074 0.0760 ( 7664 PWs) bands (ev): -67.8283 -67.8283 -38.4488 -38.4488 -36.3198 -36.3198 -35.8182 -35.8182 -34.5528 -34.5528 -34.5527 -34.5527 -4.8757 -4.8698 -4.8698 -4.8677 -4.0486 -4.0486 -4.0133 -4.0133 -4.0131 -4.0031 2.5965 2.5965 7.0914 7.0914 7.2929 7.3393 7.4233 7.4233 8.2132 8.2132 8.2503 8.3034 11.4085 11.4085 13.2458 13.2458 13.3627 13.3812 14.5565 14.5565 14.8485 14.8485 k = 0.1977 0.1141 0.0807 ( 7652 PWs) bands (ev): -67.8283 -67.8283 -38.4488 -38.4488 -36.3197 -36.3197 -35.8182 -35.8182 -34.5528 -34.5528 -34.5527 -34.5527 -4.8757 -4.8695 -4.8695 -4.8675 -4.0483 -4.0483 -4.0135 -4.0135 -4.0128 -4.0025 2.6350 2.6350 7.0703 7.0703 7.2973 7.3456 7.4339 7.4339 8.2051 8.2051 8.2486 8.3039 11.2313 11.2313 13.1924 13.1924 13.3157 13.3349 14.5448 14.5448 14.8208 14.8208 k = 0.2093 0.1208 0.0854 ( 7657 PWs) bands (ev): -67.8283 -67.8283 -38.4489 -38.4489 -36.3197 -36.3197 -35.8183 -35.8183 -34.5528 -34.5528 -34.5527 -34.5527 -4.8758 -4.8692 -4.8692 -4.8674 -4.0480 -4.0480 -4.0136 -4.0136 -4.0124 -4.0019 2.6755 2.6755 7.0482 7.0482 7.3013 7.3513 7.4443 7.4443 8.1977 8.1977 8.2480 8.3053 11.0572 11.0572 13.1386 13.1386 13.2685 13.2885 14.5341 14.5341 14.7906 14.7906 k = 0.2209 0.1276 0.0902 ( 7663 PWs) bands (ev): -67.8283 -67.8283 -38.4489 -38.4489 -36.3197 -36.3197 -35.8183 -35.8183 -34.5528 -34.5528 -34.5527 -34.5527 -4.8758 -4.8689 -4.8689 -4.8673 -4.0477 -4.0477 -4.0137 -4.0137 -4.0120 -4.0013 2.7177 2.7177 7.0253 7.0253 7.3051 7.3564 7.4543 7.4543 8.1913 8.1913 8.2486 8.3075 10.8866 10.8866 13.0843 13.0843 13.2213 13.2418 14.5243 14.5243 14.7587 14.7587 k = 0.2326 0.1343 0.0949 ( 7678 PWs) bands (ev): -67.8283 -67.8283 -38.4489 -38.4489 -36.3197 -36.3197 -35.8184 -35.8184 -34.5528 -34.5528 -34.5527 -34.5527 -4.8758 -4.8687 -4.8687 -4.8671 -4.0474 -4.0474 -4.0139 -4.0139 -4.0115 -4.0007 2.7616 2.7616 7.0016 7.0016 7.3083 7.3607 7.4637 7.4637 8.1859 8.1859 8.2505 8.3107 10.7197 10.7197 13.0297 13.0297 13.1740 13.1951 14.5154 14.5154 14.7259 14.7259 k = 0.2442 0.1410 0.0997 ( 7666 PWs) bands (ev): -67.8283 -67.8283 -38.4489 -38.4489 -36.3197 -36.3197 -35.8184 -35.8184 -34.5528 -34.5528 -34.5527 -34.5527 -4.8757 -4.8684 -4.8684 -4.8671 -4.0470 -4.0470 -4.0140 -4.0140 -4.0110 -4.0002 2.8071 2.8071 6.9771 6.9771 7.3112 7.3642 7.4725 7.4725 8.1817 8.1817 8.2537 8.3148 10.5570 10.5570 12.9749 12.9749 13.1268 13.1483 14.5074 14.5074 14.6927 14.6927 k = 0.2558 0.1477 0.1044 ( 7666 PWs) bands (ev): -67.8283 -67.8283 -38.4489 -38.4489 -36.3196 -36.3196 -35.8185 -35.8185 -34.5528 -34.5528 -34.5527 -34.5527 -4.8757 -4.8681 -4.8681 -4.8670 -4.0467 -4.0467 -4.0141 -4.0141 -4.0105 -3.9997 2.8541 2.8541 6.9519 6.9519 7.3135 7.3668 7.4804 7.4804 8.1788 8.1788 8.2583 8.3199 10.3987 10.3987 12.9202 12.9202 13.0797 13.1015 14.5003 14.5003 14.6597 14.6597 k = 0.2674 0.1544 0.1092 ( 7654 PWs) bands (ev): -67.8283 -67.8283 -38.4489 -38.4489 -36.3196 -36.3196 -35.8185 -35.8185 -34.5528 -34.5528 -34.5527 -34.5527 -4.8756 -4.8678 -4.8678 -4.8670 -4.0464 -4.0464 -4.0143 -4.0143 -4.0100 -3.9992 2.9022 2.9022 6.9260 6.9260 7.3154 7.3685 7.4874 7.4874 8.1774 8.1774 8.2644 8.3260 10.2453 10.2453 12.8655 12.8655 13.0328 13.0548 14.4939 14.4939 14.6273 14.6273 k = 0.2791 0.1611 0.1139 ( 7672 PWs) bands (ev): -67.8283 -67.8283 -38.4490 -38.4490 -36.3196 -36.3196 -35.8185 -35.8185 -34.5528 -34.5528 -34.5527 -34.5527 -4.8755 -4.8676 -4.8676 -4.8670 -4.0460 -4.0460 -4.0144 -4.0144 -4.0094 -3.9988 2.9515 2.9515 6.8995 6.8995 7.3167 7.3693 7.4933 7.4933 8.1773 8.1773 8.2717 8.3330 10.0970 10.0970 12.8112 12.8112 12.9863 13.0084 14.4883 14.4883 14.5959 14.5959 k = 0.2907 0.1678 0.1187 ( 7669 PWs) bands (ev): -67.8283 -67.8283 -38.4490 -38.4490 -36.3196 -36.3196 -35.8186 -35.8186 -34.5528 -34.5528 -34.5527 -34.5527 -4.8753 -4.8673 -4.8673 -4.8670 -4.0457 -4.0457 -4.0146 -4.0146 -4.0088 -3.9983 3.0017 3.0017 6.8724 6.8724 7.3175 7.3692 7.4981 7.4981 8.1787 8.1787 8.2804 8.3408 9.9541 9.9541 12.7575 12.7575 12.9403 12.9623 14.4831 14.4832 14.5659 14.5659 k = 0.3023 0.1745 0.1234 ( 7669 PWs) bands (ev): -67.8283 -67.8283 -38.4490 -38.4490 -36.3195 -36.3195 -35.8186 -35.8186 -34.5528 -34.5528 -34.5527 -34.5527 -4.8752 -4.8670 -4.8670 -4.8670 -4.0454 -4.0454 -4.0147 -4.0147 -4.0082 -3.9980 3.0525 3.0525 6.8447 6.8447 7.3179 7.3684 7.5018 7.5018 8.1815 8.1815 8.2902 8.3494 9.8172 9.8172 12.7045 12.7045 12.8949 12.9167 14.4783 14.4783 14.5375 14.5375 k = 0.3140 0.1813 0.1282 ( 7663 PWs) bands (ev): -67.8282 -67.8282 -38.4490 -38.4490 -36.3195 -36.3195 -35.8187 -35.8187 -34.5528 -34.5528 -34.5527 -34.5527 -4.8750 -4.8671 -4.8668 -4.8668 -4.0451 -4.0451 -4.0149 -4.0149 -4.0076 -3.9976 3.1038 3.1038 6.8165 6.8165 7.3178 7.3667 7.5044 7.5044 8.1854 8.1854 8.3011 8.3587 9.6864 9.6864 12.6526 12.6526 12.8503 12.8718 14.4731 14.4731 14.5118 14.5118 k = 0.3256 0.1880 0.1329 ( 7675 PWs) bands (ev): -67.8282 -67.8282 -38.4490 -38.4490 -36.3195 -36.3195 -35.8187 -35.8187 -34.5528 -34.5528 -34.5527 -34.5527 -4.8748 -4.8672 -4.8665 -4.8665 -4.0448 -4.0448 -4.0150 -4.0150 -4.0069 -3.9973 3.1552 3.1552 6.7880 6.7880 7.3173 7.3644 7.5060 7.5060 8.1904 8.1904 8.3129 8.3686 9.5622 9.5622 12.6019 12.6019 12.8068 12.8278 14.4650 14.4650 14.4837 14.4849 k = 0.3372 0.1947 0.1377 ( 7675 PWs) bands (ev): -67.8282 -67.8282 -38.4490 -38.4490 -36.3195 -36.3195 -35.8187 -35.8187 -34.5528 -34.5528 -34.5527 -34.5527 -4.8746 -4.8673 -4.8663 -4.8663 -4.0445 -4.0445 -4.0151 -4.0151 -4.0063 -3.9971 3.2065 3.2065 6.7591 6.7591 7.3166 7.3615 7.5066 7.5066 8.1962 8.1962 8.3255 8.3788 9.4450 9.4450 12.5528 12.5528 12.7645 12.7850 14.4487 14.4496 14.4496 14.4503 k = 0.3488 0.2014 0.1424 ( 7657 PWs) bands (ev): -67.8282 -67.8282 -38.4491 -38.4491 -36.3195 -36.3195 -35.8188 -35.8188 -34.5528 -34.5528 -34.5527 -34.5527 -4.8744 -4.8674 -4.8660 -4.8660 -4.0442 -4.0442 -4.0153 -4.0153 -4.0056 -3.9968 3.2573 3.2573 6.7300 6.7300 7.3156 7.3581 7.5064 7.5064 8.2026 8.2026 8.3386 8.3893 9.3351 9.3351 12.5054 12.5054 12.7238 12.7435 14.4162 14.4181 14.4300 14.4300 k = 0.3605 0.2081 0.1472 ( 7657 PWs) bands (ev): -67.8282 -67.8282 -38.4491 -38.4491 -36.3194 -36.3194 -35.8188 -35.8188 -34.5529 -34.5529 -34.5527 -34.5527 -4.8742 -4.8675 -4.8658 -4.8658 -4.0439 -4.0439 -4.0154 -4.0154 -4.0050 -3.9967 3.3072 3.3072 6.7009 6.7009 7.3144 7.3543 7.5055 7.5055 8.2092 8.2092 8.3520 8.3999 9.2330 9.2330 12.4602 12.4602 12.6847 12.7035 14.3863 14.3883 14.4104 14.4104 k = 0.3721 0.2148 0.1519 ( 7651 PWs) bands (ev): -67.8282 -67.8282 -38.4491 -38.4491 -36.3194 -36.3194 -35.8188 -35.8188 -34.5529 -34.5529 -34.5527 -34.5527 -4.8739 -4.8677 -4.8656 -4.8656 -4.0437 -4.0437 -4.0155 -4.0155 -4.0043 -3.9965 3.3559 3.3559 6.6720 6.6720 7.3132 7.3502 7.5041 7.5041 8.2157 8.2157 8.3656 8.4103 9.1389 9.1389 12.4172 12.4172 12.6477 12.6655 14.3589 14.3611 14.3919 14.3919 k = 0.3837 0.2215 0.1567 ( 7651 PWs) bands (ev): -67.8282 -67.8282 -38.4491 -38.4491 -36.3194 -36.3194 -35.8188 -35.8188 -34.5529 -34.5529 -34.5527 -34.5527 -4.8737 -4.8679 -4.8654 -4.8654 -4.0434 -4.0434 -4.0157 -4.0157 -4.0037 -3.9965 3.4028 3.4028 6.6435 6.6435 7.3119 7.3459 7.5022 7.5022 8.2219 8.2219 8.3791 8.4204 9.0532 9.0532 12.3770 12.3770 12.6129 12.6296 14.3341 14.3362 14.3749 14.3749 k = 0.3953 0.2283 0.1614 ( 7633 PWs) bands (ev): -67.8282 -67.8282 -38.4491 -38.4491 -36.3194 -36.3194 -35.8189 -35.8189 -34.5529 -34.5529 -34.5527 -34.5527 -4.8734 -4.8681 -4.8653 -4.8653 -4.0432 -4.0432 -4.0158 -4.0158 -4.0031 -3.9964 3.4476 3.4476 6.6158 6.6158 7.3106 7.3416 7.5000 7.5000 8.2273 8.2273 8.3923 8.4301 8.9763 8.9763 12.3396 12.3396 12.5806 12.5960 14.3118 14.3139 14.3595 14.3595 k = 0.4070 0.2350 0.1661 ( 7639 PWs) bands (ev): -67.8282 -67.8282 -38.4491 -38.4491 -36.3194 -36.3194 -35.8189 -35.8189 -34.5529 -34.5529 -34.5527 -34.5527 -4.8731 -4.8683 -4.8651 -4.8651 -4.0430 -4.0430 -4.0159 -4.0159 -4.0024 -3.9965 3.4897 3.4897 6.5892 6.5892 7.3095 7.3372 7.4977 7.4977 8.2318 8.2318 8.4051 8.4390 8.9082 8.9082 12.3053 12.3053 12.5511 12.5651 14.2920 14.2940 14.3458 14.3458 k = 0.4186 0.2417 0.1709 ( 7648 PWs) bands (ev): -67.8282 -67.8282 -38.4491 -38.4491 -36.3194 -36.3194 -35.8189 -35.8189 -34.5529 -34.5529 -34.5527 -34.5527 -4.8728 -4.8686 -4.8650 -4.8650 -4.0428 -4.0428 -4.0160 -4.0160 -4.0018 -3.9965 3.5285 3.5285 6.5641 6.5641 7.3086 7.3330 7.4954 7.4954 8.2350 8.2350 8.4171 8.4471 8.8492 8.8492 12.2744 12.2744 12.5245 12.5370 14.2746 14.2765 14.3337 14.3337 k = 0.4302 0.2484 0.1756 ( 7654 PWs) bands (ev): -67.8282 -67.8282 -38.4491 -38.4491 -36.3193 -36.3193 -35.8189 -35.8189 -34.5529 -34.5529 -34.5527 -34.5527 -4.8725 -4.8688 -4.8649 -4.8649 -4.0427 -4.0427 -4.0160 -4.0160 -4.0012 -3.9966 3.5637 3.5637 6.5410 6.5410 7.3079 7.3289 7.4931 7.4931 8.2370 8.2370 8.4282 8.4542 8.7992 8.7992 12.2472 12.2472 12.5012 12.5121 14.2597 14.2614 14.3233 14.3233 k = 0.4419 0.2551 0.1804 ( 7654 PWs) bands (ev): -67.8282 -67.8282 -38.4491 -38.4491 -36.3193 -36.3193 -35.8190 -35.8190 -34.5529 -34.5529 -34.5527 -34.5527 -4.8722 -4.8691 -4.8647 -4.8647 -4.0426 -4.0426 -4.0161 -4.0161 -4.0007 -3.9968 3.5945 3.5945 6.5204 6.5204 7.3075 7.3251 7.4911 7.4911 8.2378 8.2378 8.4383 8.4602 8.7581 8.7581 12.2238 12.2238 12.4812 12.4904 14.2472 14.2487 14.3145 14.3145 k = 0.4535 0.2618 0.1851 ( 7660 PWs) bands (ev): -67.8282 -67.8282 -38.4491 -38.4491 -36.3193 -36.3193 -35.8190 -35.8190 -34.5529 -34.5529 -34.5527 -34.5527 -4.8718 -4.8694 -4.8647 -4.8647 -4.0424 -4.0424 -4.0162 -4.0162 -4.0001 -3.9970 3.6205 3.6205 6.5028 6.5028 7.3074 7.3215 7.4893 7.4893 8.2376 8.2376 8.4472 8.4648 8.7255 8.7255 12.2043 12.2043 12.4648 12.4723 14.2371 14.2383 14.3074 14.3074 k = 0.4651 0.2685 0.1899 ( 7660 PWs) bands (ev): -67.8282 -67.8282 -38.4492 -38.4492 -36.3193 -36.3193 -35.8190 -35.8190 -34.5529 -34.5529 -34.5527 -34.5527 -4.8715 -4.8697 -4.8646 -4.8646 -4.0424 -4.0424 -4.0162 -4.0162 -3.9996 -3.9972 3.6413 3.6413 6.4885 6.4885 7.3077 7.3183 7.4878 7.4878 8.2367 8.2367 8.4548 8.4681 8.7010 8.7010 12.1891 12.1891 12.4521 12.4577 14.2292 14.2302 14.3018 14.3018 k = 0.4767 0.2752 0.1946 ( 7660 PWs) bands (ev): -67.8282 -67.8282 -38.4492 -38.4492 -36.3193 -36.3193 -35.8190 -35.8190 -34.5529 -34.5529 -34.5527 -34.5527 -4.8712 -4.8700 -4.8645 -4.8645 -4.0423 -4.0423 -4.0163 -4.0163 -3.9991 -3.9975 3.6565 3.6565 6.4780 6.4780 7.3084 7.3155 7.4867 7.4867 8.2357 8.2357 8.4609 8.4698 8.6840 8.6840 12.1781 12.1781 12.4432 12.4470 14.2237 14.2243 14.2979 14.2979 k = 0.4884 0.2820 0.1994 ( 7660 PWs) bands (ev): -67.8282 -67.8282 -38.4492 -38.4492 -36.3193 -36.3193 -35.8190 -35.8190 -34.5529 -34.5529 -34.5527 -34.5527 -4.8709 -4.8703 -4.8645 -4.8645 -4.0422 -4.0422 -4.0163 -4.0163 -3.9987 -3.9979 3.6657 3.6657 6.4716 6.4716 7.3095 7.3131 7.4860 7.4860 8.2349 8.2349 8.4655 8.4700 8.6740 8.6740 12.1714 12.1714 12.4382 12.4401 14.2205 14.2208 14.2955 14.2955 k = 0.5000 0.2887 0.2041 ( 7672 PWs) bands (ev): -67.8282 -67.8282 -38.4492 -38.4492 -36.3193 -36.3193 -35.8190 -35.8190 -34.5529 -34.5529 -34.5527 -34.5527 -4.8706 -4.8706 -4.8645 -4.8645 -4.0422 -4.0422 -4.0163 -4.0163 -3.9983 -3.9983 3.6688 3.6688 6.4694 6.4694 7.3111 7.3111 7.4858 7.4858 8.2346 8.2346 8.4685 8.4685 8.6707 8.6707 12.1692 12.1692 12.4372 12.4372 14.2195 14.2195 14.2947 14.2947 k = 0.5000 0.2887 0.2041 ( 7672 PWs) bands (ev): -67.8282 -67.8282 -38.4492 -38.4492 -36.3193 -36.3193 -35.8190 -35.8190 -34.5529 -34.5529 -34.5527 -34.5527 -4.8706 -4.8706 -4.8645 -4.8645 -4.0422 -4.0422 -4.0163 -4.0163 -3.9983 -3.9983 3.6688 3.6688 6.4694 6.4694 7.3111 7.3111 7.4858 7.4858 8.2346 8.2346 8.4685 8.4685 8.6707 8.6707 12.1692 12.1692 12.4372 12.4372 14.2195 14.2195 14.2947 14.2947 k = 0.5040 0.2770 0.2107 ( 7663 PWs) bands (ev): -67.8282 -67.8282 -38.4492 -38.4492 -36.3193 -36.3193 -35.8190 -35.8190 -34.5529 -34.5529 -34.5527 -34.5527 -4.8706 -4.8706 -4.8646 -4.8644 -4.0423 -4.0422 -4.0164 -4.0162 -3.9983 -3.9983 3.6695 3.6702 6.4699 6.4703 7.3111 7.3111 7.4856 7.4858 8.2329 8.2362 8.4685 8.4685 8.6683 8.6724 12.1586 12.1586 12.4248 12.4249 14.2248 14.2252 14.2969 14.3060 k = 0.5081 0.2654 0.2173 ( 7662 PWs) bands (ev): -67.8282 -67.8282 -38.4492 -38.4491 -36.3193 -36.3193 -35.8191 -35.8189 -34.5529 -34.5529 -34.5527 -34.5526 -4.8706 -4.8706 -4.8647 -4.8642 -4.0423 -4.0422 -4.0165 -4.0160 -3.9983 -3.9982 3.6725 3.6737 6.4717 6.4726 7.3110 7.3111 7.4851 7.4858 8.2312 8.2379 8.4685 8.4686 8.6650 8.6732 12.1269 12.1270 12.3894 12.3898 14.2370 14.2403 14.3160 14.3279 k = 0.5121 0.2538 0.2239 ( 7663 PWs) bands (ev): -67.8282 -67.8282 -38.4492 -38.4491 -36.3193 -36.3193 -35.8191 -35.8189 -34.5530 -34.5529 -34.5527 -34.5526 -4.8707 -4.8706 -4.8647 -4.8640 -4.0423 -4.0421 -4.0165 -4.0159 -3.9983 -3.9982 3.6775 3.6794 6.4749 6.4762 7.3107 7.3110 7.4846 7.4858 8.2295 8.2394 8.4685 8.4688 8.6609 8.6734 12.0744 12.0753 12.3352 12.3365 14.2491 14.2573 14.3544 14.3623 k = 0.5161 0.2421 0.2305 ( 7669 PWs) bands (ev): -67.8282 -67.8282 -38.4492 -38.4491 -36.3193 -36.3193 -35.8192 -35.8189 -34.5530 -34.5529 -34.5527 -34.5525 -4.8707 -4.8707 -4.8648 -4.8637 -4.0423 -4.0420 -4.0166 -4.0157 -3.9983 -3.9982 3.6847 3.6872 6.4795 6.4812 7.3100 7.3108 7.4840 7.4860 8.2278 8.2409 8.4684 8.4691 8.6560 8.6730 12.0022 12.0044 12.2679 12.2706 14.2578 14.2692 14.4116 14.4141 k = 0.5202 0.2305 0.2370 ( 7663 PWs) bands (ev): -67.8282 -67.8282 -38.4492 -38.4491 -36.3193 -36.3193 -35.8192 -35.8188 -34.5530 -34.5530 -34.5527 -34.5525 -4.8708 -4.8708 -4.8647 -4.8634 -4.0422 -4.0419 -4.0166 -4.0155 -3.9983 -3.9982 3.6940 3.6972 6.4853 6.4875 7.3088 7.3103 7.4836 7.4868 8.2259 8.2422 8.4681 8.4696 8.6503 8.6721 11.9126 11.9164 12.1923 12.1967 14.2634 14.2754 14.4832 14.4846 k = 0.5242 0.2188 0.2436 ( 7667 PWs) bands (ev): -67.8282 -67.8282 -38.4492 -38.4491 -36.3193 -36.3193 -35.8193 -35.8188 -34.5531 -34.5530 -34.5527 -34.5524 -4.8709 -4.8708 -4.8647 -4.8631 -4.0422 -4.0418 -4.0167 -4.0153 -3.9983 -3.9981 3.7053 3.7092 6.4923 6.4951 7.3066 7.3093 7.4836 7.4885 8.2238 8.2433 8.4677 8.4703 8.6438 8.6708 11.8084 11.8140 12.1117 12.1180 14.2668 14.2781 14.5667 14.5706 k = 0.5282 0.2072 0.2502 ( 7666 PWs) bands (ev): -67.8282 -67.8282 -38.4492 -38.4491 -36.3193 -36.3193 -35.8193 -35.8188 -34.5531 -34.5530 -34.5527 -34.5524 -4.8710 -4.8709 -4.8647 -4.8628 -4.0422 -4.0417 -4.0167 -4.0150 -3.9983 -3.9981 3.7187 3.7232 6.5005 6.5039 7.3035 7.3074 7.4843 7.4912 8.2215 8.2440 8.4669 8.4712 8.6368 8.6695 11.6932 11.7005 12.0282 12.0361 14.2687 14.2788 14.6616 14.6672 k = 0.5323 0.1956 0.2568 ( 7662 PWs) bands (ev): -67.8282 -67.8282 -38.4492 -38.4491 -36.3193 -36.3193 -35.8194 -35.8187 -34.5532 -34.5530 -34.5527 -34.5523 -4.8710 -4.8710 -4.8646 -4.8625 -4.0422 -4.0416 -4.0168 -4.0148 -3.9984 -3.9980 3.7341 3.7392 6.5098 6.5139 7.2990 7.3046 7.4860 7.4954 8.2189 8.2443 8.4659 8.4722 8.6293 8.6682 11.5702 11.5789 11.9426 11.9520 14.2697 14.2784 14.7661 14.7729 k = 0.5363 0.1839 0.2634 ( 7658 PWs) bands (ev): -67.8282 -67.8282 -38.4492 -38.4491 -36.3193 -36.3193 -35.8194 -35.8187 -34.5532 -34.5530 -34.5527 -34.5523 -4.8711 -4.8711 -4.8645 -4.8621 -4.0422 -4.0414 -4.0168 -4.0145 -3.9984 -3.9979 3.7514 3.7571 6.5200 6.5248 7.2933 7.3007 7.4889 7.5011 8.2159 8.2440 8.4643 8.4732 8.6217 8.6673 11.4422 11.4521 11.8555 11.8663 14.2698 14.2772 14.8785 14.8862 k = 0.5403 0.1723 0.2700 ( 7656 PWs) bands (ev): -67.8282 -67.8282 -38.4492 -38.4491 -36.3193 -36.3193 -35.8195 -35.8187 -34.5533 -34.5530 -34.5527 -34.5522 -4.8712 -4.8712 -4.8644 -4.8618 -4.0421 -4.0413 -4.0168 -4.0142 -3.9985 -3.9978 3.7705 3.7769 6.5310 6.5367 7.2862 7.2954 7.4934 7.5086 8.2124 8.2431 8.4620 8.4739 8.6143 8.6670 11.3112 11.3221 11.7675 11.7794 14.2695 14.2757 14.9977 15.0062 k = 0.5444 0.1606 0.2766 ( 7662 PWs) bands (ev): -67.8282 -67.8282 -38.4493 -38.4491 -36.3193 -36.3193 -35.8195 -35.8187 -34.5533 -34.5531 -34.5527 -34.5522 -4.8713 -4.8712 -4.8643 -4.8614 -4.0421 -4.0411 -4.0168 -4.0138 -3.9986 -3.9976 3.7914 3.7985 6.5426 6.5493 7.2779 7.2889 7.4994 7.5178 8.2083 8.2414 8.4590 8.4740 8.6077 8.6676 11.1789 11.1906 11.6788 11.6917 14.2687 14.2738 15.1228 15.1319 k = 0.5484 0.1490 0.2831 ( 7657 PWs) bands (ev): -67.8282 -67.8282 -38.4493 -38.4491 -36.3193 -36.3192 -35.8196 -35.8186 -34.5534 -34.5531 -34.5527 -34.5521 -4.8714 -4.8713 -4.8642 -4.8611 -4.0421 -4.0409 -4.0169 -4.0135 -3.9987 -3.9974 3.8140 3.8218 6.5546 6.5624 7.2687 7.2812 7.5070 7.5288 8.2035 8.2389 8.4550 8.4727 8.6027 8.6695 11.0468 11.0591 11.5899 11.6036 14.2677 14.2718 15.2529 15.2626 k = 0.5524 0.1374 0.2897 ( 7656 PWs) bands (ev): -67.8282 -67.8282 -38.4493 -38.4491 -36.3192 -36.3192 -35.8196 -35.8186 -34.5534 -34.5531 -34.5527 -34.5521 -4.8714 -4.8714 -4.8641 -4.8607 -4.0421 -4.0407 -4.0169 -4.0131 -3.9988 -3.9973 3.8382 3.8467 6.5667 6.5758 7.2589 7.2727 7.5163 7.5414 8.1981 8.2355 8.4499 8.4696 8.5998 8.6728 10.9157 10.9284 11.5010 11.5156 14.2664 14.2697 15.3875 15.3977 k = 0.5565 0.1257 0.2963 ( 7659 PWs) bands (ev): -67.8282 -67.8282 -38.4493 -38.4491 -36.3192 -36.3192 -35.8196 -35.8186 -34.5534 -34.5531 -34.5526 -34.5521 -4.8715 -4.8714 -4.8640 -4.8604 -4.0421 -4.0405 -4.0169 -4.0127 -3.9990 -3.9970 3.8639 3.8730 6.5785 6.5891 7.2490 7.2637 7.5271 7.5557 8.1919 8.2311 8.4438 8.4639 8.5999 8.6778 10.7865 10.7995 11.4125 11.4279 14.2650 14.2676 15.5262 15.5369 k = 0.5605 0.1141 0.3029 ( 7664 PWs) bands (ev): -67.8282 -67.8282 -38.4493 -38.4491 -36.3192 -36.3192 -35.8197 -35.8186 -34.5535 -34.5531 -34.5526 -34.5520 -4.8715 -4.8714 -4.8639 -4.8601 -4.0420 -4.0403 -4.0170 -4.0123 -3.9991 -3.9968 3.8909 3.9007 6.5897 6.6020 7.2394 7.2546 7.5392 7.5714 8.1849 8.2258 8.4365 8.4556 8.6032 8.6846 10.6600 10.6730 11.3245 11.3407 14.2634 14.2655 15.6684 15.6796 k = 0.5645 0.1024 0.3095 ( 7666 PWs) bands (ev): -67.8282 -67.8282 -38.4493 -38.4491 -36.3192 -36.3192 -35.8197 -35.8186 -34.5535 -34.5532 -34.5526 -34.5520 -4.8715 -4.8715 -4.8638 -4.8597 -4.0420 -4.0401 -4.0170 -4.0118 -3.9993 -3.9966 3.9192 3.9296 6.5997 6.6139 7.2307 7.2462 7.5526 7.5884 8.1771 8.2194 8.4283 8.4447 8.6097 8.6932 10.5368 10.5496 11.2374 11.2543 14.2619 14.2634 15.8138 15.8255 k = 0.5685 0.0908 0.3161 ( 7662 PWs) bands (ev): -67.8282 -67.8282 -38.4493 -38.4491 -36.3192 -36.3192 -35.8198 -35.8186 -34.5535 -34.5532 -34.5526 -34.5520 -4.8715 -4.8715 -4.8638 -4.8594 -4.0420 -4.0399 -4.0170 -4.0113 -3.9995 -3.9963 3.9485 3.9596 6.6078 6.6241 7.2238 7.2391 7.5670 7.6067 8.1685 8.2119 8.4192 8.4318 8.6189 8.7036 10.4174 10.4298 11.1513 11.1689 14.2602 14.2613 15.9619 15.9744 k = 0.5726 0.0792 0.3226 ( 7660 PWs) bands (ev): -67.8282 -67.8282 -38.4493 -38.4491 -36.3192 -36.3192 -35.8198 -35.8186 -34.5536 -34.5532 -34.5526 -34.5519 -4.8715 -4.8715 -4.8637 -4.8591 -4.0420 -4.0397 -4.0171 -4.0108 -3.9997 -3.9960 3.9786 3.9905 6.6136 6.6322 7.2192 7.2342 7.5824 7.6260 8.1589 8.2032 8.4095 8.4174 8.6304 8.7157 10.3024 10.3141 11.0664 11.0848 14.2586 14.2593 16.1126 16.1257 k = 0.5766 0.0675 0.3292 ( 7664 PWs) bands (ev): -67.8282 -67.8282 -38.4493 -38.4491 -36.3192 -36.3192 -35.8198 -35.8186 -34.5536 -34.5532 -34.5526 -34.5519 -4.8715 -4.8715 -4.8637 -4.8588 -4.0420 -4.0395 -4.0171 -4.0103 -3.9999 -3.9957 4.0094 4.0220 6.6163 6.6373 7.2178 7.2321 7.5985 7.6463 8.1486 8.1934 8.3995 8.4021 8.6438 8.7293 10.1921 10.2029 10.9830 11.0020 14.2570 14.2575 16.2652 16.2794 k = 0.5806 0.0559 0.3358 ( 7666 PWs) bands (ev): -67.8282 -67.8282 -38.4493 -38.4491 -36.3192 -36.3192 -35.8199 -35.8186 -34.5536 -34.5532 -34.5526 -34.5519 -4.8715 -4.8715 -4.8636 -4.8586 -4.0420 -4.0393 -4.0172 -4.0098 -4.0001 -3.9954 4.0407 4.0539 6.6154 6.6388 7.2203 7.2337 7.6150 7.6675 8.1376 8.1824 8.3865 8.3894 8.6585 8.7442 10.0871 10.0967 10.9011 10.9208 14.2555 14.2557 16.4191 16.4349 k = 0.5847 0.0442 0.3424 ( 7662 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4491 -36.3192 -36.3191 -35.8199 -35.8186 -34.5536 -34.5532 -34.5526 -34.5519 -4.8714 -4.8714 -4.8636 -4.8583 -4.0421 -4.0391 -4.0172 -4.0093 -4.0004 -3.9952 4.0721 4.0860 6.6104 6.6362 7.2272 7.2398 7.6319 7.6893 8.1259 8.1700 8.3710 8.3796 8.6742 8.7600 9.9879 9.9959 10.8209 10.8414 14.2540 14.2540 16.5723 16.5916 k = 0.5887 0.0326 0.3490 ( 7658 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4491 -36.3191 -36.3191 -35.8199 -35.8186 -34.5537 -34.5533 -34.5526 -34.5519 -4.8714 -4.8714 -4.8636 -4.8581 -4.0421 -4.0390 -4.0172 -4.0087 -4.0006 -3.9949 4.1035 4.1180 6.6012 6.6291 7.2389 7.2508 7.6488 7.7116 8.1137 8.1564 8.3560 8.3702 8.6904 8.7764 9.8948 9.9009 10.7426 10.7637 14.2525 14.2526 16.6961 16.7306 k = 0.5927 0.0210 0.3556 ( 7657 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4491 -36.3191 -36.3191 -35.8200 -35.8186 -34.5537 -34.5533 -34.5526 -34.5519 -4.8713 -4.8713 -4.8636 -4.8579 -4.0421 -4.0388 -4.0173 -4.0082 -4.0009 -3.9946 4.1344 4.1496 6.5879 6.6175 7.2553 7.2669 7.6655 7.7342 8.1012 8.1415 8.3422 8.3616 8.7064 8.7929 9.8085 9.8125 10.6663 10.6882 14.2512 14.2513 16.6773 16.6886 k = 0.5968 0.0093 0.3622 ( 7659 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3191 -36.3191 -35.8200 -35.8186 -34.5537 -34.5533 -34.5526 -34.5518 -4.8713 -4.8712 -4.8636 -4.8577 -4.0421 -4.0387 -4.0173 -4.0076 -4.0012 -3.9943 4.1646 4.1803 6.5708 6.6018 7.2765 7.2881 7.6818 7.7569 8.0887 8.1255 8.3297 8.3540 8.7217 8.8088 9.7297 9.7311 10.5922 10.6147 14.2500 14.2502 16.6184 16.6245 k = 0.6008-0.0023 0.3687 ( 7653 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3191 -36.3191 -35.8200 -35.8186 -34.5537 -34.5533 -34.5526 -34.5518 -4.8712 -4.8712 -4.8636 -4.8576 -4.0421 -4.0386 -4.0174 -4.0071 -4.0014 -3.9940 4.1937 4.2099 6.5505 6.5824 7.3021 7.3140 7.6973 7.7796 8.0765 8.1085 8.3190 8.3476 8.7354 8.8232 9.6577 9.6589 10.5205 10.5437 14.2489 14.2491 16.5456 16.5493 k = 0.6048-0.0140 0.3753 ( 7649 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3191 -36.3191 -35.8200 -35.8186 -34.5537 -34.5533 -34.5526 -34.5518 -4.8711 -4.8711 -4.8636 -4.8575 -4.0421 -4.0385 -4.0174 -4.0065 -4.0017 -3.9938 4.2212 4.2379 6.5277 6.5601 7.3316 7.3443 7.7118 7.8018 8.0650 8.0911 8.3103 8.3427 8.7467 8.8350 9.5933 9.5972 10.4514 10.4752 14.2480 14.2482 16.4649 16.4675 k = 0.6089-0.0256 0.3819 ( 7646 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3191 -36.3191 -35.8200 -35.8186 -34.5537 -34.5533 -34.5526 -34.5518 -4.8710 -4.8710 -4.8637 -4.8574 -4.0422 -4.0384 -4.0174 -4.0060 -4.0019 -3.9935 4.2467 4.2639 6.5030 6.5355 7.3643 7.3782 7.7251 7.8234 8.0545 8.0736 8.3036 8.3393 8.7544 8.8429 9.5392 9.5455 10.3850 10.4094 14.2473 14.2475 16.3797 16.3817 k = 0.6129-0.0372 0.3885 ( 7648 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3191 -36.3191 -35.8200 -35.8186 -34.5537 -34.5533 -34.5527 -34.5518 -4.8709 -4.8709 -4.8637 -4.8574 -4.0422 -4.0383 -4.0174 -4.0056 -4.0021 -3.9933 4.2698 4.2873 6.4775 6.5097 7.3997 7.4152 7.7372 7.8440 8.0454 8.0568 8.2992 8.3377 8.7574 8.8453 9.4967 9.5047 10.3216 10.3465 14.2468 14.2469 16.2920 16.2937 k = 0.6169-0.0489 0.3951 ( 7652 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3191 -36.3191 -35.8200 -35.8187 -34.5537 -34.5533 -34.5527 -34.5518 -4.8708 -4.8708 -4.8638 -4.8573 -4.0422 -4.0383 -4.0174 -4.0053 -4.0022 -3.9931 4.2899 4.3076 6.4518 6.4834 7.4369 7.4542 7.7481 7.8633 8.0381 8.0416 8.2972 8.3379 8.7549 8.8409 9.4670 9.4756 10.2613 10.2867 14.2464 14.2465 16.2032 16.2048 k = 0.6210-0.0605 0.4017 ( 7648 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3191 -36.3191 -35.8200 -35.8187 -34.5537 -34.5533 -34.5527 -34.5518 -4.8707 -4.8707 -4.8639 -4.8573 -4.0422 -4.0383 -4.0174 -4.0051 -4.0021 -3.9930 4.3066 4.3243 6.4268 6.4575 7.4749 7.4941 7.7583 7.8806 8.0291 8.0331 8.2974 8.3399 8.7464 8.8292 9.4508 9.4586 10.2046 10.2303 14.2462 14.2464 16.1142 16.1158 k = 0.6250-0.0722 0.4082 ( 7642 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3191 -36.3191 -35.8200 -35.8187 -34.5537 -34.5533 -34.5527 -34.5519 -4.8706 -4.8706 -4.8639 -4.8574 -4.0423 -4.0383 -4.0174 -4.0051 -4.0019 -3.9928 4.3193 4.3369 6.4033 6.4329 7.5125 7.5332 7.7687 7.8953 8.0212 8.0308 8.2998 8.3437 8.7321 8.8102 9.4476 9.4535 10.1515 10.1776 14.2461 14.2465 16.0257 16.0272 k = 0.6250-0.0722 0.4082 ( 7642 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3191 -36.3191 -35.8200 -35.8187 -34.5537 -34.5533 -34.5527 -34.5519 -4.8706 -4.8706 -4.8639 -4.8574 -4.0423 -4.0383 -4.0174 -4.0051 -4.0019 -3.9928 4.3193 4.3369 6.4033 6.4329 7.5125 7.5332 7.7687 7.8953 8.0212 8.0308 8.2998 8.3437 8.7321 8.8102 9.4476 9.4535 10.1515 10.1776 14.2461 14.2465 16.0257 16.0272 k = 0.6181-0.0682 0.4196 ( 7646 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3191 -36.3191 -35.8200 -35.8187 -34.5537 -34.5533 -34.5527 -34.5519 -4.8708 -4.8704 -4.8639 -4.8574 -4.0423 -4.0383 -4.0174 -4.0050 -4.0019 -3.9929 4.3197 4.3374 6.4047 6.4342 7.5050 7.5284 7.7741 7.8970 8.0189 8.0369 8.2998 8.3456 8.7320 8.8101 9.4434 9.4504 10.1508 10.1766 14.2530 14.2535 16.0257 16.0274 k = 0.6111-0.0642 0.4309 ( 7648 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3191 -36.3191 -35.8200 -35.8187 -34.5537 -34.5533 -34.5527 -34.5518 -4.8710 -4.8702 -4.8640 -4.8573 -4.0423 -4.0382 -4.0174 -4.0050 -4.0019 -3.9929 4.3210 4.3388 6.4086 6.4382 7.4848 7.5142 7.7881 7.9021 8.0162 8.0509 8.2998 8.3508 8.7315 8.8096 9.4314 9.4407 10.1486 10.1738 14.2736 14.2743 16.0259 16.0279 k = 0.6042-0.0601 0.4423 ( 7653 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3191 -36.3191 -35.8200 -35.8187 -34.5537 -34.5533 -34.5527 -34.5518 -4.8712 -4.8700 -4.8640 -4.8572 -4.0424 -4.0381 -4.0174 -4.0049 -4.0019 -3.9930 4.3232 4.3411 6.4151 6.4449 7.4558 7.4918 7.8060 7.9106 8.0144 8.0709 8.3006 8.3588 8.7308 8.8088 9.4120 9.4244 10.1451 10.1693 14.3074 14.3084 16.0263 16.0288 k = 0.5972-0.0561 0.4536 ( 7657 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3191 -36.3191 -35.8200 -35.8187 -34.5537 -34.5533 -34.5527 -34.5518 -4.8714 -4.8698 -4.8641 -4.8571 -4.0425 -4.0380 -4.0175 -4.0047 -4.0019 -3.9931 4.3262 4.3442 6.4243 6.4543 7.4212 7.4629 7.8228 7.9231 8.0140 8.0963 8.3025 8.3689 8.7297 8.8079 9.3859 9.4016 10.1404 10.1633 14.3539 14.3553 16.0268 16.0301 k = 0.5903-0.0521 0.4649 ( 7661 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3191 -36.3191 -35.8201 -35.8187 -34.5537 -34.5533 -34.5527 -34.5518 -4.8716 -4.8696 -4.8642 -4.8570 -4.0426 -4.0378 -4.0175 -4.0045 -4.0019 -3.9933 4.3300 4.3482 6.4361 6.4663 7.3830 7.4291 7.8354 7.9384 8.0168 8.1257 8.3060 8.3806 8.7282 8.8067 9.3535 9.3728 10.1347 10.1562 14.4120 14.4140 16.0276 16.0318 k = 0.5833-0.0481 0.4763 ( 7655 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3191 -36.3191 -35.8201 -35.8187 -34.5537 -34.5533 -34.5527 -34.5518 -4.8718 -4.8693 -4.8643 -4.8569 -4.0427 -4.0377 -4.0176 -4.0043 -4.0019 -3.9934 4.3345 4.3529 6.4504 6.4810 7.3423 7.3916 7.8431 7.9523 8.0264 8.1582 8.3112 8.3935 8.7263 8.8056 9.3155 9.3386 10.1282 10.1481 14.4807 14.4833 16.0287 16.0341 k = 0.5764-0.0441 0.4876 ( 7655 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3191 -36.3191 -35.8201 -35.8187 -34.5537 -34.5533 -34.5527 -34.5518 -4.8719 -4.8691 -4.8645 -4.8568 -4.0428 -4.0375 -4.0177 -4.0041 -4.0018 -3.9936 4.3396 4.3582 6.4673 6.4983 7.3001 7.3515 7.8471 7.9596 8.0461 8.1924 8.3183 8.4073 8.7239 8.8046 9.2726 9.2998 10.1212 10.1394 14.5586 14.5620 16.0302 16.0370 k = 0.5694-0.0401 0.4990 ( 7656 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3191 -36.3191 -35.8201 -35.8187 -34.5537 -34.5533 -34.5527 -34.5518 -4.8721 -4.8689 -4.8646 -4.8566 -4.0429 -4.0373 -4.0177 -4.0039 -4.0018 -3.9938 4.3452 4.3640 6.4867 6.5181 7.2567 7.3093 7.8487 7.9606 8.0741 8.2272 8.3275 8.4219 8.7209 8.8040 9.2257 9.2572 10.1138 10.1303 14.6441 14.6484 16.0326 16.0409 k = 0.5625-0.0361 0.5103 ( 7660 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3191 -36.3191 -35.8201 -35.8187 -34.5537 -34.5533 -34.5527 -34.5518 -4.8722 -4.8687 -4.8647 -4.8565 -4.0430 -4.0371 -4.0178 -4.0037 -4.0017 -3.9941 4.3511 4.3702 6.5086 6.5406 7.2124 7.2656 7.8488 7.9581 8.1065 8.2613 8.3394 8.4371 8.7169 8.8039 9.1755 9.2119 10.1061 10.1212 14.7352 14.7407 16.0361 16.0461 k = 0.5556-0.0321 0.5217 ( 7660 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3191 -36.3191 -35.8201 -35.8186 -34.5537 -34.5533 -34.5527 -34.5517 -4.8724 -4.8685 -4.8649 -4.8563 -4.0431 -4.0369 -4.0179 -4.0035 -4.0016 -3.9943 4.3573 4.3767 6.5330 6.5655 7.1676 7.2208 7.8480 7.9539 8.1407 8.2926 8.3551 8.4530 8.7119 8.8047 9.1231 9.1649 10.0984 10.1121 14.8297 14.8365 16.0414 16.0531 k = 0.5486-0.0281 0.5330 ( 7669 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3191 -36.3191 -35.8201 -35.8186 -34.5537 -34.5533 -34.5527 -34.5517 -4.8725 -4.8683 -4.8650 -4.8562 -4.0432 -4.0368 -4.0180 -4.0033 -4.0015 -3.9946 4.3636 4.3833 6.5597 6.5929 7.1223 7.1752 7.8467 7.9489 8.1750 8.3188 8.3759 8.4697 8.7055 8.8065 9.0693 9.1174 10.0908 10.1035 14.9248 14.9331 16.0494 16.0626 k = 0.5417-0.0241 0.5443 ( 7665 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3191 -36.3191 -35.8201 -35.8186 -34.5538 -34.5533 -34.5527 -34.5517 -4.8726 -4.8681 -4.8652 -4.8560 -4.0433 -4.0366 -4.0180 -4.0032 -4.0013 -3.9948 4.3698 4.3898 6.5887 6.6227 7.0770 7.1291 7.8452 7.9436 8.2084 8.3396 8.4013 8.4878 8.6974 8.8095 9.0152 9.0706 10.0834 10.0953 15.0171 15.0270 16.0614 16.0758 k = 0.5347-0.0200 0.5557 ( 7653 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3191 -36.3190 -35.8201 -35.8186 -34.5538 -34.5533 -34.5527 -34.5517 -4.8727 -4.8680 -4.8653 -4.8559 -4.0433 -4.0365 -4.0181 -4.0030 -4.0012 -3.9951 4.3757 4.3960 6.6200 6.6547 7.0316 7.0829 7.8437 7.9383 8.2393 8.3568 8.4281 8.5079 8.6876 8.8134 8.9621 9.0260 10.0765 10.0879 15.1028 15.1143 16.0787 16.0936 k = 0.5278-0.0160 0.5670 ( 7647 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3190 -36.3190 -35.8202 -35.8186 -34.5538 -34.5533 -34.5527 -34.5517 -4.8728 -4.8678 -4.8655 -4.8558 -4.0434 -4.0364 -4.0181 -4.0029 -4.0010 -3.9953 4.3811 4.4016 6.6532 6.6888 6.9866 7.0369 7.8423 7.9335 8.2665 8.3724 8.4538 8.5298 8.6763 8.8168 8.9125 8.9850 10.0702 10.0815 15.1777 15.1905 16.1022 16.1165 k = 0.5208-0.0120 0.5784 ( 7632 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3190 -36.3190 -35.8202 -35.8186 -34.5538 -34.5533 -34.5527 -34.5517 -4.8728 -4.8677 -4.8656 -4.8557 -4.0434 -4.0363 -4.0181 -4.0028 -4.0009 -3.9955 4.3858 4.4065 6.6882 6.7247 6.9423 6.9915 7.8411 7.9292 8.2885 8.3868 8.4779 8.5514 8.6650 8.8141 8.8733 8.9490 10.0649 10.0761 15.2379 15.2516 16.1313 16.1438 k = 0.5139-0.0080 0.5897 ( 7638 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3190 -36.3190 -35.8202 -35.8186 -34.5538 -34.5533 -34.5527 -34.5517 -4.8729 -4.8676 -4.8657 -4.8557 -4.0435 -4.0362 -4.0182 -4.0028 -4.0008 -3.9956 4.3894 4.4103 6.7244 6.7616 6.8993 6.9476 7.8401 7.9258 8.3043 8.3991 8.5009 8.5668 8.6577 8.7928 8.8593 8.9195 10.0608 10.0720 15.2806 15.2949 16.1619 16.1719 k = 0.5069-0.0040 0.6010 ( 7630 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3190 -36.3190 -35.8202 -35.8186 -34.5538 -34.5533 -34.5527 -34.5517 -4.8729 -4.8675 -4.8657 -4.8556 -4.0435 -4.0362 -4.0182 -4.0027 -4.0008 -3.9957 4.3918 4.4128 6.7599 6.7972 6.8596 6.9077 7.8396 7.9236 8.3137 8.4075 8.5219 8.5702 8.6575 8.7657 8.8619 8.8984 10.0581 10.0693 15.3052 15.3197 16.1862 16.1945 k = 0.5000-0.0000 0.6124 ( 7612 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3190 -36.3190 -35.8202 -35.8186 -34.5538 -34.5533 -34.5527 -34.5517 -4.8729 -4.8675 -4.8657 -4.8556 -4.0435 -4.0362 -4.0182 -4.0027 -4.0008 -3.9957 4.3927 4.4137 6.7816 6.8175 6.8365 6.8860 7.8394 7.9228 8.3169 8.4105 8.5325 8.5680 8.6585 8.7545 8.8646 8.8901 10.0571 10.0684 15.3129 15.3274 16.1957 16.2036 k = 0.5000-0.0000 0.6124 ( 7612 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3190 -36.3190 -35.8202 -35.8186 -34.5538 -34.5533 -34.5527 -34.5517 -4.8729 -4.8675 -4.8657 -4.8556 -4.0435 -4.0362 -4.0182 -4.0027 -4.0008 -3.9957 4.3927 4.4137 6.7816 6.8175 6.8365 6.8860 7.8394 7.9228 8.3169 8.4105 8.5325 8.5680 8.6585 8.7545 8.8646 8.8901 10.0571 10.0684 15.3129 15.3274 16.1957 16.2036 k = 0.5000 0.0082 0.6007 ( 7636 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3190 -36.3190 -35.8202 -35.8186 -34.5538 -34.5533 -34.5527 -34.5517 -4.8729 -4.8675 -4.8657 -4.8556 -4.0435 -4.0362 -4.0182 -4.0028 -4.0007 -3.9957 4.3906 4.4116 6.7819 6.8180 6.8373 6.8866 7.8395 7.9244 8.3103 8.4041 8.5152 8.5690 8.6617 8.7770 8.8593 8.9019 10.0610 10.0723 15.3081 15.3232 16.1961 16.2043 k = 0.5000 0.0165 0.5890 ( 7646 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3190 -36.3190 -35.8202 -35.8186 -34.5538 -34.5533 -34.5527 -34.5517 -4.8729 -4.8677 -4.8656 -4.8557 -4.0435 -4.0362 -4.0182 -4.0030 -4.0006 -3.9957 4.3845 4.4054 6.7827 6.8193 6.8400 6.8887 7.8398 7.9289 8.2906 8.3849 8.4875 8.5590 8.6763 8.8257 8.8532 8.9305 10.0726 10.0838 15.2940 15.3109 16.1963 16.2056 k = 0.5000 0.0247 0.5774 ( 7636 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3190 -36.3190 -35.8202 -35.8186 -34.5538 -34.5533 -34.5527 -34.5517 -4.8729 -4.8679 -4.8654 -4.8557 -4.0434 -4.0363 -4.0181 -4.0033 -4.0004 -3.9957 4.3745 4.3951 6.7830 6.8204 6.8451 6.8932 7.8403 7.9363 8.2585 8.3539 8.4649 8.5467 8.6918 8.8376 8.8964 8.9737 10.0918 10.1028 15.2719 15.2909 16.1931 16.2052 k = 0.5000 0.0330 0.5657 ( 7648 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3191 -36.3190 -35.8202 -35.8186 -34.5538 -34.5533 -34.5527 -34.5517 -4.8729 -4.8681 -4.8653 -4.8558 -4.0434 -4.0364 -4.0181 -4.0037 -4.0002 -3.9958 4.3608 4.3811 6.7822 6.8203 6.8533 6.9009 7.8409 7.9461 8.2173 8.3148 8.4499 8.5381 8.7003 8.8285 8.9674 9.0306 10.1182 10.1291 15.2429 15.2643 16.1822 16.1998 k = 0.5000 0.0412 0.5541 ( 7650 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3191 -36.3191 -35.8201 -35.8186 -34.5538 -34.5533 -34.5527 -34.5517 -4.8729 -4.8683 -4.8651 -4.8559 -4.0433 -4.0365 -4.0181 -4.0042 -4.0000 -3.9958 4.3435 4.3635 6.7796 6.8179 6.8650 6.9124 7.8410 7.9578 8.1713 8.2723 8.4405 8.5329 8.7015 8.8180 9.0445 9.0982 10.1516 10.1624 15.2085 15.2322 16.1604 16.1858 k = 0.5000 0.0495 0.5424 ( 7648 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3191 -36.3191 -35.8201 -35.8186 -34.5538 -34.5533 -34.5527 -34.5517 -4.8728 -4.8686 -4.8649 -4.8560 -4.0433 -4.0366 -4.0180 -4.0046 -3.9998 -3.9959 4.3232 4.3426 6.7752 6.8131 6.8800 6.9275 7.8402 7.9707 8.1237 8.2304 8.4345 8.5300 8.6972 8.8066 9.1264 9.1738 10.1916 10.2024 15.1700 15.1959 16.1268 16.1612 k = 0.5000 0.0577 0.5307 ( 7654 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3191 -36.3191 -35.8201 -35.8186 -34.5538 -34.5533 -34.5527 -34.5517 -4.8728 -4.8688 -4.8647 -4.8562 -4.0432 -4.0368 -4.0179 -4.0052 -3.9996 -3.9959 4.2999 4.3189 6.7691 6.8060 6.8979 6.9458 7.8374 7.9829 8.0779 8.1921 8.4304 8.5286 8.6889 8.7945 9.2123 9.2552 10.2378 10.2487 15.1284 15.1562 16.0822 16.1256 k = 0.5000 0.0660 0.5191 ( 7656 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3191 -36.3191 -35.8201 -35.8186 -34.5538 -34.5533 -34.5527 -34.5517 -4.8728 -4.8691 -4.8645 -4.8564 -4.0431 -4.0370 -4.0179 -4.0057 -3.9995 -3.9960 4.2743 4.2927 6.7615 6.7970 6.9180 6.9666 7.8315 7.9865 8.0425 8.1597 8.4275 8.5282 8.6780 8.7820 9.3019 9.3415 10.2898 10.3009 15.0846 15.1141 16.0289 16.0806 k = 0.5000 0.0742 0.5074 ( 7664 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3191 -36.3191 -35.8201 -35.8186 -34.5537 -34.5533 -34.5527 -34.5517 -4.8727 -4.8693 -4.8644 -4.8566 -4.0431 -4.0372 -4.0178 -4.0062 -3.9993 -3.9961 4.2465 4.2643 6.7526 6.7864 6.9400 6.9891 7.8210 7.9618 8.0375 8.1352 8.4254 8.5286 8.6653 8.7694 9.3951 9.4319 10.3473 10.3586 15.0394 15.0705 15.9693 16.0280 k = 0.5000 0.0825 0.4957 ( 7660 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3191 -36.3191 -35.8201 -35.8186 -34.5537 -34.5533 -34.5527 -34.5518 -4.8727 -4.8696 -4.8643 -4.8568 -4.0430 -4.0374 -4.0177 -4.0068 -3.9992 -3.9962 4.2171 4.2342 6.7426 6.7744 6.9634 7.0129 7.8053 7.9220 8.0488 8.1202 8.4239 8.5295 8.6514 8.7568 9.4916 9.5260 10.4099 10.4214 14.9932 15.0257 15.9049 15.9699 k = 0.5000 0.0907 0.4841 ( 7660 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4491 -36.3191 -36.3191 -35.8200 -35.8186 -34.5537 -34.5533 -34.5527 -34.5518 -4.8726 -4.8698 -4.8641 -4.8570 -4.0429 -4.0376 -4.0177 -4.0073 -3.9991 -3.9963 4.1863 4.2028 6.7315 6.7612 6.9877 7.0375 7.7845 7.8809 8.0619 8.1155 8.4229 8.5309 8.6368 8.7445 9.5915 9.6236 10.4772 10.4890 14.9467 14.9805 15.8373 15.9076 k = 0.5000 0.0990 0.4724 ( 7658 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4491 -36.3191 -36.3191 -35.8200 -35.8186 -34.5537 -34.5533 -34.5527 -34.5518 -4.8726 -4.8700 -4.8641 -4.8573 -4.0428 -4.0379 -4.0176 -4.0079 -3.9990 -3.9964 4.1545 4.1703 6.7194 6.7469 7.0125 7.0623 7.7597 7.8410 8.0736 8.1203 8.4224 8.5328 8.6219 8.7327 9.6946 9.7247 10.5490 10.5609 14.9001 14.9351 15.7673 15.8422 k = 0.5000 0.1072 0.4607 ( 7664 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4491 -36.3191 -36.3191 -35.8200 -35.8186 -34.5537 -34.5533 -34.5527 -34.5518 -4.8725 -4.8702 -4.8640 -4.8575 -4.0427 -4.0381 -4.0175 -4.0085 -3.9989 -3.9965 4.1221 4.1372 6.7066 6.7319 7.0376 7.0871 7.7324 7.8030 8.0843 8.1319 8.4225 8.5352 8.6070 8.7215 9.8010 9.8291 10.6248 10.6369 14.8538 14.8898 15.6955 15.7745 k = 0.5000 0.1155 0.4491 ( 7656 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4491 -36.3191 -36.3191 -35.8199 -35.8186 -34.5537 -34.5532 -34.5527 -34.5518 -4.8724 -4.8704 -4.8639 -4.8578 -4.0426 -4.0384 -4.0174 -4.0090 -3.9988 -3.9966 4.0894 4.1037 6.6930 6.7161 7.0627 7.1115 7.7041 7.7669 8.0953 8.1465 8.4231 8.5380 8.5924 8.7111 9.9106 9.9368 10.7043 10.7166 14.8081 14.8451 15.6222 15.7049 k = 0.5000 0.1237 0.4374 ( 7654 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4491 -36.3192 -36.3191 -35.8199 -35.8186 -34.5536 -34.5532 -34.5527 -34.5519 -4.8723 -4.8705 -4.8639 -4.8581 -4.0426 -4.0387 -4.0173 -4.0096 -3.9988 -3.9967 4.0566 4.0702 6.6789 6.6998 7.0875 7.1353 7.6758 7.7330 8.1072 8.1619 8.4244 8.5412 8.5784 8.7016 10.0233 10.0478 10.7873 10.7996 14.7631 14.8010 15.5479 15.6338 k = 0.5000 0.1320 0.4257 ( 7660 PWs) bands (ev): -67.8282 -67.8282 -38.4493 -38.4491 -36.3192 -36.3192 -35.8199 -35.8186 -34.5536 -34.5532 -34.5527 -34.5519 -4.8723 -4.8707 -4.8639 -4.8584 -4.0425 -4.0389 -4.0173 -4.0101 -3.9987 -3.9969 4.0241 4.0370 6.6643 6.6832 7.1117 7.1582 7.6484 7.7012 8.1198 8.1769 8.4264 8.5444 8.5655 8.6931 10.1393 10.1620 10.8733 10.8856 14.7191 14.7578 15.4725 15.5613 k = 0.5000 0.1402 0.4141 ( 7664 PWs) bands (ev): -67.8282 -67.8282 -38.4493 -38.4491 -36.3192 -36.3192 -35.8198 -35.8186 -34.5536 -34.5532 -34.5526 -34.5519 -4.8722 -4.8708 -4.8639 -4.8588 -4.0424 -4.0392 -4.0172 -4.0106 -3.9986 -3.9970 3.9920 4.0042 6.6493 6.6663 7.1352 7.1800 7.6225 7.6716 8.1327 8.1907 8.4292 8.5448 8.5568 8.6856 10.2582 10.2794 10.9620 10.9744 14.6762 14.7158 15.3962 15.4876 k = 0.5000 0.1485 0.4024 ( 7670 PWs) bands (ev): -67.8282 -67.8282 -38.4493 -38.4491 -36.3192 -36.3192 -35.8198 -35.8186 -34.5536 -34.5532 -34.5526 -34.5519 -4.8721 -4.8709 -4.8639 -4.8591 -4.0424 -4.0395 -4.0171 -4.0111 -3.9986 -3.9972 3.9606 3.9721 6.6342 6.6493 7.1578 7.2005 7.5984 7.6441 8.1455 8.2029 8.4325 8.5366 8.5582 8.6793 10.3801 10.3997 11.0531 11.0655 14.6347 14.6750 15.3191 15.4127 k = 0.5000 0.1567 0.3908 ( 7672 PWs) bands (ev): -67.8282 -67.8282 -38.4493 -38.4491 -36.3192 -36.3192 -35.8198 -35.8186 -34.5535 -34.5532 -34.5527 -34.5520 -4.8720 -4.8710 -4.8639 -4.8595 -4.0423 -4.0398 -4.0171 -4.0116 -3.9985 -3.9973 3.9301 3.9408 6.6190 6.6324 7.1792 7.2196 7.5764 7.6189 8.1578 8.2134 8.4364 8.5263 8.5634 8.6741 10.5048 10.5230 11.1463 11.1587 14.5945 14.6357 15.2412 15.3368 k = 0.5000 0.1650 0.3791 ( 7664 PWs) bands (ev): -67.8282 -67.8282 -38.4493 -38.4491 -36.3192 -36.3192 -35.8197 -35.8186 -34.5535 -34.5531 -34.5527 -34.5520 -4.8719 -4.8710 -4.8640 -4.8598 -4.0423 -4.0400 -4.0170 -4.0121 -3.9985 -3.9974 3.9007 3.9107 6.6039 6.6157 7.1994 7.2371 7.5566 7.5959 8.1692 8.2221 8.4406 8.5164 8.5698 8.6700 10.6320 10.6489 11.2410 11.2535 14.5560 14.5980 15.1625 15.2597 k = 0.5000 0.1732 0.3674 ( 7666 PWs) bands (ev): -67.8282 -67.8282 -38.4493 -38.4491 -36.3192 -36.3192 -35.8197 -35.8186 -34.5535 -34.5531 -34.5527 -34.5520 -4.8718 -4.8711 -4.8641 -4.8602 -4.0422 -4.0403 -4.0170 -4.0125 -3.9984 -3.9975 3.8725 3.8819 6.5890 6.5993 7.2183 7.2529 7.5392 7.5752 8.1796 8.2291 8.4450 8.5075 8.5770 8.6671 10.7614 10.7771 11.3370 11.3496 14.5191 14.5620 15.0831 15.1816 k = 0.5000 0.1815 0.3558 ( 7660 PWs) bands (ev): -67.8282 -67.8282 -38.4493 -38.4491 -36.3192 -36.3192 -35.8196 -35.8186 -34.5534 -34.5531 -34.5527 -34.5521 -4.8717 -4.8711 -4.8641 -4.8606 -4.0422 -4.0405 -4.0169 -4.0130 -3.9984 -3.9977 3.8458 3.8544 6.5745 6.5835 7.2356 7.2667 7.5242 7.5567 8.1889 8.2346 8.4492 8.4996 8.5848 8.6652 10.8927 10.9073 11.4338 11.4465 14.4839 14.5279 15.0032 15.1027 k = 0.5000 0.1897 0.3441 ( 7662 PWs) bands (ev): -67.8282 -67.8282 -38.4493 -38.4491 -36.3193 -36.3192 -35.8196 -35.8186 -34.5534 -34.5531 -34.5527 -34.5521 -4.8716 -4.8711 -4.8642 -4.8610 -4.0422 -4.0408 -4.0169 -4.0134 -3.9984 -3.9978 3.8205 3.8285 6.5604 6.5683 7.2511 7.2786 7.5118 7.5405 8.1969 8.2386 8.4532 8.4928 8.5931 8.6643 11.0254 11.0389 11.5311 11.5437 14.4507 14.4958 14.9230 15.0232 k = 0.5000 0.1979 0.3324 ( 7662 PWs) bands (ev): -67.8282 -67.8282 -38.4493 -38.4491 -36.3193 -36.3193 -35.8195 -35.8187 -34.5533 -34.5531 -34.5527 -34.5522 -4.8715 -4.8711 -4.8643 -4.8613 -4.0422 -4.0410 -4.0169 -4.0137 -3.9983 -3.9979 3.7969 3.8042 6.5470 6.5538 7.2649 7.2884 7.5018 7.5265 8.2036 8.2414 8.4567 8.4871 8.6017 8.6642 11.1588 11.1713 11.6283 11.6409 14.4194 14.4658 14.8429 14.9434 k = 0.5000 0.2062 0.3208 ( 7660 PWs) bands (ev): -67.8282 -67.8282 -38.4493 -38.4491 -36.3193 -36.3193 -35.8195 -35.8187 -34.5533 -34.5531 -34.5527 -34.5522 -4.8713 -4.8711 -4.8644 -4.8617 -4.0422 -4.0412 -4.0168 -4.0141 -3.9983 -3.9979 3.7751 3.7817 6.5344 6.5402 7.2768 7.2962 7.4943 7.5149 8.2093 8.2433 8.4597 8.4823 8.6105 8.6648 11.2920 11.3037 11.7250 11.7374 14.3902 14.4381 14.7633 14.8638 k = 0.5000 0.2144 0.3091 ( 7662 PWs) bands (ev): -67.8282 -67.8282 -38.4492 -38.4491 -36.3193 -36.3193 -35.8194 -35.8187 -34.5532 -34.5530 -34.5527 -34.5523 -4.8712 -4.8710 -4.8645 -4.8621 -4.0422 -4.0414 -4.0168 -4.0144 -3.9983 -3.9980 3.7551 3.7610 6.5226 6.5275 7.2867 7.3020 7.4890 7.5055 8.2139 8.2443 8.4623 8.4785 8.6191 8.6659 11.4240 11.4347 11.8206 11.8326 14.3630 14.4127 14.6848 14.7850 k = 0.5000 0.2227 0.2974 ( 7660 PWs) bands (ev): -67.8282 -67.8282 -38.4492 -38.4491 -36.3193 -36.3193 -35.8194 -35.8187 -34.5532 -34.5530 -34.5527 -34.5523 -4.8711 -4.8710 -4.8646 -4.8624 -4.0422 -4.0415 -4.0168 -4.0147 -3.9983 -3.9981 3.7371 3.7423 6.5117 6.5159 7.2946 7.3060 7.4856 7.4982 8.2177 8.2446 8.4642 8.4754 8.6275 8.6673 11.5533 11.5629 11.9146 11.9259 14.3379 14.3897 14.6083 14.7077 k = 0.5000 0.2309 0.2858 ( 7668 PWs) bands (ev): -67.8282 -67.8282 -38.4492 -38.4491 -36.3193 -36.3193 -35.8193 -35.8188 -34.5531 -34.5530 -34.5527 -34.5524 -4.8710 -4.8709 -4.8646 -4.8628 -4.0422 -4.0417 -4.0167 -4.0150 -3.9983 -3.9981 3.7210 3.7256 6.5020 6.5055 7.3006 7.3086 7.4838 7.4930 8.2208 8.2443 8.4658 8.4731 8.6354 8.6689 11.6779 11.6863 12.0064 12.0167 14.3149 14.3689 14.5349 14.6327 k = 0.5000 0.2392 0.2741 ( 7666 PWs) bands (ev): -67.8282 -67.8282 -38.4492 -38.4491 -36.3193 -36.3193 -35.8193 -35.8188 -34.5531 -34.5530 -34.5527 -34.5524 -4.8709 -4.8708 -4.8647 -4.8631 -4.0422 -4.0418 -4.0167 -4.0152 -3.9983 -3.9982 3.7070 3.7110 6.4934 6.4963 7.3049 7.3102 7.4832 7.4894 8.2234 8.2435 8.4669 8.4714 8.6428 8.6705 11.7952 11.8021 12.0954 12.1040 14.2941 14.3502 14.4662 14.5611 k = 0.5000 0.2474 0.2624 ( 7670 PWs) bands (ev): -67.8282 -67.8282 -38.4492 -38.4491 -36.3193 -36.3193 -35.8192 -35.8188 -34.5530 -34.5530 -34.5527 -34.5525 -4.8708 -4.8708 -4.8647 -4.8634 -4.0423 -4.0419 -4.0167 -4.0155 -3.9983 -3.9982 3.6952 3.6984 6.4860 6.4883 7.3078 7.3109 7.4833 7.4873 8.2256 8.2424 8.4676 8.4702 8.6496 8.6719 11.9021 11.9071 12.1805 12.1871 14.2756 14.3322 14.4045 14.4939 k = 0.5000 0.2557 0.2508 ( 7664 PWs) bands (ev): -67.8282 -67.8282 -38.4492 -38.4491 -36.3193 -36.3193 -35.8192 -35.8188 -34.5530 -34.5529 -34.5527 -34.5525 -4.8707 -4.8707 -4.8648 -4.8637 -4.0423 -4.0420 -4.0166 -4.0157 -3.9983 -3.9982 3.6855 3.6881 6.4799 6.4817 7.3096 7.3112 7.4838 7.4862 8.2276 8.2411 8.4681 8.4694 8.6555 8.6729 11.9948 11.9979 12.2599 12.2642 14.2593 14.3107 14.3556 14.4320 k = 0.5000 0.2639 0.2391 ( 7670 PWs) bands (ev): -67.8282 -67.8282 -38.4492 -38.4491 -36.3193 -36.3193 -35.8191 -35.8189 -34.5530 -34.5529 -34.5527 -34.5526 -4.8707 -4.8706 -4.8648 -4.8639 -4.0423 -4.0421 -4.0165 -4.0159 -3.9983 -3.9982 3.6779 3.6799 6.4752 6.4765 7.3105 7.3112 7.4845 7.4858 8.2294 8.2395 8.4684 8.4689 8.6606 8.6734 12.0699 12.0714 12.3305 12.3326 14.2455 14.2791 14.3272 14.3772 k = 0.5000 0.2722 0.2275 ( 7664 PWs) bands (ev): -67.8282 -67.8282 -38.4492 -38.4491 -36.3193 -36.3193 -35.8191 -35.8189 -34.5529 -34.5529 -34.5527 -34.5526 -4.8706 -4.8706 -4.8647 -4.8642 -4.0423 -4.0422 -4.0165 -4.0160 -3.9983 -3.9982 3.6726 3.6739 6.4718 6.4727 7.3109 7.3111 7.4851 7.4858 8.2312 8.2379 8.4685 8.4687 8.6649 8.6732 12.1248 12.1253 12.3871 12.3879 14.2340 14.2473 14.3101 14.3335 k = 0.5000 0.2804 0.2158 ( 7666 PWs) bands (ev): -67.8282 -67.8282 -38.4492 -38.4492 -36.3193 -36.3193 -35.8190 -35.8190 -34.5529 -34.5529 -34.5527 -34.5527 -4.8706 -4.8706 -4.8646 -4.8644 -4.0423 -4.0422 -4.0164 -4.0162 -3.9983 -3.9983 3.6696 3.6702 6.4699 6.4703 7.3111 7.3111 7.4856 7.4858 8.2329 8.2363 8.4685 8.4686 8.6682 8.6724 12.1581 12.1582 12.4242 12.4243 14.2243 14.2263 14.2969 14.3066 k = 0.5000 0.2887 0.2041 ( 7672 PWs) bands (ev): -67.8282 -67.8282 -38.4492 -38.4492 -36.3193 -36.3193 -35.8190 -35.8190 -34.5529 -34.5529 -34.5527 -34.5527 -4.8706 -4.8706 -4.8645 -4.8645 -4.0422 -4.0422 -4.0163 -4.0163 -3.9983 -3.9983 3.6688 3.6688 6.4694 6.4694 7.3111 7.3111 7.4858 7.4858 8.2346 8.2346 8.4685 8.4685 8.6707 8.6707 12.1692 12.1692 12.4372 12.4372 14.2195 14.2195 14.2947 14.2947 k = 0.5000 0.2887 0.2041 ( 7672 PWs) bands (ev): -67.8282 -67.8282 -38.4492 -38.4492 -36.3193 -36.3193 -35.8190 -35.8190 -34.5529 -34.5529 -34.5527 -34.5527 -4.8706 -4.8706 -4.8645 -4.8645 -4.0422 -4.0422 -4.0163 -4.0163 -3.9983 -3.9983 3.6688 3.6688 6.4694 6.4694 7.3111 7.3111 7.4858 7.4858 8.2346 8.2346 8.4685 8.4685 8.6707 8.6707 12.1692 12.1692 12.4372 12.4372 14.2195 14.2195 14.2947 14.2947 k = 0.4960 0.2863 0.2173 ( 7663 PWs) bands (ev): -67.8282 -67.8282 -38.4492 -38.4492 -36.3193 -36.3193 -35.8190 -35.8190 -34.5529 -34.5529 -34.5527 -34.5527 -4.8706 -4.8706 -4.8646 -4.8644 -4.0423 -4.0422 -4.0164 -4.0162 -3.9983 -3.9983 3.6695 3.6702 6.4699 6.4703 7.3111 7.3111 7.4856 7.4858 8.2329 8.2362 8.4685 8.4685 8.6683 8.6724 12.1586 12.1586 12.4248 12.4249 14.2248 14.2252 14.2969 14.3060 k = 0.4919 0.2840 0.2305 ( 7662 PWs) bands (ev): -67.8282 -67.8282 -38.4492 -38.4491 -36.3193 -36.3193 -35.8191 -35.8189 -34.5529 -34.5529 -34.5527 -34.5526 -4.8706 -4.8706 -4.8647 -4.8642 -4.0423 -4.0422 -4.0165 -4.0160 -3.9983 -3.9982 3.6725 3.6737 6.4717 6.4726 7.3110 7.3111 7.4851 7.4858 8.2312 8.2379 8.4685 8.4686 8.6650 8.6732 12.1269 12.1270 12.3894 12.3898 14.2370 14.2403 14.3160 14.3279 k = 0.4879 0.2817 0.2436 ( 7663 PWs) bands (ev): -67.8282 -67.8282 -38.4492 -38.4491 -36.3193 -36.3193 -35.8191 -35.8189 -34.5530 -34.5529 -34.5527 -34.5526 -4.8707 -4.8706 -4.8647 -4.8640 -4.0423 -4.0421 -4.0165 -4.0159 -3.9983 -3.9982 3.6775 3.6794 6.4749 6.4762 7.3107 7.3110 7.4846 7.4858 8.2295 8.2394 8.4685 8.4688 8.6609 8.6734 12.0744 12.0753 12.3352 12.3365 14.2491 14.2573 14.3544 14.3623 k = 0.4839 0.2794 0.2568 ( 7669 PWs) bands (ev): -67.8282 -67.8282 -38.4492 -38.4491 -36.3193 -36.3193 -35.8192 -35.8189 -34.5530 -34.5529 -34.5527 -34.5525 -4.8707 -4.8707 -4.8648 -4.8637 -4.0423 -4.0420 -4.0166 -4.0157 -3.9983 -3.9982 3.6847 3.6872 6.4795 6.4812 7.3100 7.3108 7.4840 7.4860 8.2278 8.2409 8.4684 8.4691 8.6560 8.6730 12.0022 12.0045 12.2679 12.2706 14.2578 14.2692 14.4116 14.4141 k = 0.4798 0.2770 0.2700 ( 7663 PWs) bands (ev): -67.8282 -67.8282 -38.4492 -38.4491 -36.3193 -36.3193 -35.8192 -35.8188 -34.5530 -34.5530 -34.5527 -34.5525 -4.8708 -4.8708 -4.8647 -4.8634 -4.0422 -4.0419 -4.0166 -4.0155 -3.9983 -3.9982 3.6940 3.6972 6.4853 6.4875 7.3088 7.3103 7.4836 7.4868 8.2259 8.2422 8.4681 8.4696 8.6503 8.6721 11.9126 11.9164 12.1923 12.1967 14.2634 14.2754 14.4832 14.4846 k = 0.4758 0.2747 0.2831 ( 7667 PWs) bands (ev): -67.8282 -67.8282 -38.4492 -38.4491 -36.3193 -36.3193 -35.8193 -35.8188 -34.5531 -34.5530 -34.5527 -34.5524 -4.8709 -4.8708 -4.8647 -4.8631 -4.0422 -4.0418 -4.0167 -4.0153 -3.9983 -3.9981 3.7053 3.7092 6.4923 6.4951 7.3066 7.3093 7.4836 7.4885 8.2238 8.2433 8.4677 8.4703 8.6438 8.6708 11.8084 11.8140 12.1117 12.1180 14.2668 14.2781 14.5667 14.5706 k = 0.4718 0.2724 0.2963 ( 7666 PWs) bands (ev): -67.8282 -67.8282 -38.4492 -38.4491 -36.3193 -36.3193 -35.8193 -35.8188 -34.5531 -34.5530 -34.5527 -34.5524 -4.8710 -4.8709 -4.8647 -4.8628 -4.0422 -4.0417 -4.0167 -4.0150 -3.9983 -3.9981 3.7187 3.7232 6.5005 6.5039 7.3035 7.3074 7.4843 7.4912 8.2215 8.2440 8.4669 8.4712 8.6368 8.6695 11.6932 11.7005 12.0282 12.0361 14.2687 14.2788 14.6616 14.6672 k = 0.4677 0.2701 0.3095 ( 7662 PWs) bands (ev): -67.8282 -67.8282 -38.4492 -38.4491 -36.3193 -36.3193 -35.8194 -35.8187 -34.5532 -34.5530 -34.5527 -34.5523 -4.8710 -4.8710 -4.8646 -4.8625 -4.0422 -4.0416 -4.0168 -4.0148 -3.9984 -3.9980 3.7341 3.7392 6.5098 6.5139 7.2990 7.3046 7.4860 7.4954 8.2189 8.2443 8.4659 8.4722 8.6293 8.6682 11.5702 11.5789 11.9426 11.9520 14.2697 14.2784 14.7661 14.7729 k = 0.4637 0.2677 0.3226 ( 7658 PWs) bands (ev): -67.8282 -67.8282 -38.4492 -38.4491 -36.3193 -36.3193 -35.8194 -35.8187 -34.5532 -34.5530 -34.5527 -34.5523 -4.8711 -4.8711 -4.8645 -4.8621 -4.0422 -4.0414 -4.0168 -4.0145 -3.9984 -3.9979 3.7514 3.7571 6.5200 6.5248 7.2933 7.3007 7.4889 7.5011 8.2159 8.2440 8.4643 8.4732 8.6217 8.6673 11.4422 11.4521 11.8555 11.8663 14.2698 14.2772 14.8785 14.8862 k = 0.4597 0.2654 0.3358 ( 7656 PWs) bands (ev): -67.8282 -67.8282 -38.4492 -38.4491 -36.3193 -36.3193 -35.8195 -35.8187 -34.5533 -34.5530 -34.5527 -34.5522 -4.8712 -4.8712 -4.8644 -4.8618 -4.0421 -4.0413 -4.0168 -4.0142 -3.9985 -3.9978 3.7705 3.7769 6.5310 6.5367 7.2862 7.2954 7.4934 7.5086 8.2124 8.2431 8.4620 8.4739 8.6143 8.6670 11.3112 11.3221 11.7675 11.7794 14.2695 14.2757 14.9977 15.0062 k = 0.4556 0.2631 0.3490 ( 7662 PWs) bands (ev): -67.8282 -67.8282 -38.4493 -38.4491 -36.3193 -36.3193 -35.8195 -35.8187 -34.5533 -34.5531 -34.5527 -34.5522 -4.8713 -4.8712 -4.8643 -4.8614 -4.0421 -4.0411 -4.0168 -4.0138 -3.9986 -3.9976 3.7914 3.7985 6.5426 6.5493 7.2779 7.2889 7.4994 7.5178 8.2083 8.2414 8.4590 8.4740 8.6077 8.6676 11.1789 11.1906 11.6788 11.6917 14.2687 14.2738 15.1228 15.1319 k = 0.4516 0.2607 0.3622 ( 7657 PWs) bands (ev): -67.8282 -67.8282 -38.4493 -38.4491 -36.3193 -36.3192 -35.8196 -35.8186 -34.5534 -34.5531 -34.5527 -34.5521 -4.8714 -4.8713 -4.8642 -4.8611 -4.0421 -4.0409 -4.0169 -4.0135 -3.9987 -3.9974 3.8140 3.8218 6.5546 6.5624 7.2687 7.2812 7.5070 7.5288 8.2035 8.2389 8.4550 8.4727 8.6027 8.6695 11.0468 11.0591 11.5899 11.6036 14.2677 14.2718 15.2529 15.2626 k = 0.4476 0.2584 0.3753 ( 7656 PWs) bands (ev): -67.8282 -67.8282 -38.4493 -38.4491 -36.3192 -36.3192 -35.8196 -35.8186 -34.5534 -34.5531 -34.5527 -34.5521 -4.8714 -4.8714 -4.8641 -4.8607 -4.0421 -4.0407 -4.0169 -4.0131 -3.9988 -3.9973 3.8382 3.8467 6.5667 6.5758 7.2589 7.2727 7.5163 7.5414 8.1981 8.2355 8.4499 8.4696 8.5998 8.6728 10.9157 10.9284 11.5010 11.5156 14.2664 14.2697 15.3875 15.3977 k = 0.4435 0.2561 0.3885 ( 7659 PWs) bands (ev): -67.8282 -67.8282 -38.4493 -38.4491 -36.3192 -36.3192 -35.8196 -35.8186 -34.5534 -34.5531 -34.5526 -34.5521 -4.8715 -4.8714 -4.8640 -4.8604 -4.0421 -4.0405 -4.0169 -4.0127 -3.9990 -3.9970 3.8639 3.8730 6.5785 6.5891 7.2490 7.2637 7.5270 7.5557 8.1919 8.2311 8.4438 8.4639 8.5999 8.6778 10.7865 10.7995 11.4125 11.4279 14.2650 14.2676 15.5262 15.5369 k = 0.4395 0.2538 0.4017 ( 7664 PWs) bands (ev): -67.8282 -67.8282 -38.4493 -38.4491 -36.3192 -36.3192 -35.8197 -35.8186 -34.5535 -34.5531 -34.5526 -34.5520 -4.8715 -4.8714 -4.8639 -4.8601 -4.0420 -4.0403 -4.0170 -4.0123 -3.9991 -3.9968 3.8909 3.9007 6.5897 6.6020 7.2394 7.2546 7.5392 7.5714 8.1849 8.2258 8.4365 8.4556 8.6032 8.6846 10.6600 10.6730 11.3245 11.3407 14.2634 14.2655 15.6684 15.6796 k = 0.4355 0.2514 0.4148 ( 7666 PWs) bands (ev): -67.8282 -67.8282 -38.4493 -38.4491 -36.3192 -36.3192 -35.8197 -35.8186 -34.5535 -34.5532 -34.5526 -34.5520 -4.8715 -4.8715 -4.8638 -4.8597 -4.0420 -4.0401 -4.0170 -4.0118 -3.9993 -3.9966 3.9192 3.9296 6.5997 6.6139 7.2307 7.2462 7.5526 7.5884 8.1771 8.2194 8.4283 8.4447 8.6097 8.6932 10.5368 10.5496 11.2374 11.2543 14.2619 14.2634 15.8138 15.8255 k = 0.4315 0.2491 0.4280 ( 7662 PWs) bands (ev): -67.8282 -67.8282 -38.4493 -38.4491 -36.3192 -36.3192 -35.8198 -35.8186 -34.5535 -34.5532 -34.5526 -34.5520 -4.8715 -4.8715 -4.8638 -4.8594 -4.0420 -4.0399 -4.0170 -4.0113 -3.9995 -3.9963 3.9485 3.9596 6.6078 6.6241 7.2238 7.2391 7.5670 7.6067 8.1685 8.2119 8.4192 8.4318 8.6189 8.7036 10.4174 10.4298 11.1513 11.1689 14.2602 14.2613 15.9619 15.9744 k = 0.4274 0.2468 0.4412 ( 7660 PWs) bands (ev): -67.8282 -67.8282 -38.4493 -38.4491 -36.3192 -36.3192 -35.8198 -35.8186 -34.5536 -34.5532 -34.5526 -34.5519 -4.8715 -4.8715 -4.8637 -4.8591 -4.0420 -4.0397 -4.0171 -4.0108 -3.9997 -3.9960 3.9786 3.9905 6.6136 6.6322 7.2192 7.2342 7.5824 7.6260 8.1589 8.2032 8.4095 8.4174 8.6304 8.7157 10.3024 10.3141 11.0664 11.0848 14.2586 14.2593 16.1126 16.1257 k = 0.4234 0.2444 0.4543 ( 7664 PWs) bands (ev): -67.8282 -67.8282 -38.4493 -38.4491 -36.3192 -36.3192 -35.8198 -35.8186 -34.5536 -34.5532 -34.5526 -34.5519 -4.8715 -4.8715 -4.8637 -4.8588 -4.0420 -4.0395 -4.0171 -4.0103 -3.9999 -3.9957 4.0094 4.0220 6.6163 6.6373 7.2178 7.2321 7.5985 7.6463 8.1486 8.1934 8.3995 8.4021 8.6438 8.7293 10.1921 10.2029 10.9830 11.0020 14.2570 14.2575 16.2652 16.2794 k = 0.4194 0.2421 0.4675 ( 7666 PWs) bands (ev): -67.8282 -67.8282 -38.4493 -38.4491 -36.3192 -36.3192 -35.8199 -35.8186 -34.5536 -34.5532 -34.5526 -34.5519 -4.8715 -4.8715 -4.8636 -4.8586 -4.0420 -4.0393 -4.0172 -4.0098 -4.0001 -3.9954 4.0407 4.0539 6.6154 6.6388 7.2203 7.2337 7.6150 7.6675 8.1376 8.1824 8.3865 8.3894 8.6585 8.7442 10.0871 10.0967 10.9011 10.9208 14.2555 14.2557 16.4191 16.4349 k = 0.4153 0.2398 0.4807 ( 7662 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4491 -36.3192 -36.3191 -35.8199 -35.8186 -34.5536 -34.5532 -34.5526 -34.5519 -4.8714 -4.8714 -4.8636 -4.8583 -4.0421 -4.0391 -4.0172 -4.0093 -4.0004 -3.9952 4.0721 4.0860 6.6104 6.6362 7.2272 7.2398 7.6319 7.6893 8.1259 8.1700 8.3710 8.3796 8.6742 8.7600 9.9879 9.9959 10.8209 10.8414 14.2540 14.2540 16.5723 16.5916 k = 0.4113 0.2375 0.4938 ( 7658 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4491 -36.3191 -36.3191 -35.8199 -35.8186 -34.5537 -34.5533 -34.5526 -34.5519 -4.8714 -4.8714 -4.8636 -4.8581 -4.0421 -4.0390 -4.0172 -4.0087 -4.0006 -3.9949 4.1035 4.1180 6.6012 6.6291 7.2389 7.2508 7.6488 7.7116 8.1137 8.1564 8.3560 8.3702 8.6904 8.7764 9.8948 9.9009 10.7426 10.7637 14.2525 14.2526 16.6961 16.7306 k = 0.4073 0.2351 0.5070 ( 7657 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4491 -36.3191 -36.3191 -35.8200 -35.8186 -34.5537 -34.5533 -34.5526 -34.5519 -4.8713 -4.8713 -4.8636 -4.8579 -4.0421 -4.0388 -4.0173 -4.0082 -4.0009 -3.9946 4.1344 4.1496 6.5879 6.6175 7.2553 7.2669 7.6655 7.7342 8.1012 8.1415 8.3422 8.3616 8.7064 8.7929 9.8085 9.8125 10.6663 10.6882 14.2512 14.2513 16.6773 16.6886 k = 0.4032 0.2328 0.5202 ( 7659 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3191 -36.3191 -35.8200 -35.8186 -34.5537 -34.5533 -34.5526 -34.5518 -4.8713 -4.8712 -4.8636 -4.8577 -4.0421 -4.0387 -4.0173 -4.0076 -4.0012 -3.9943 4.1646 4.1803 6.5708 6.6018 7.2765 7.2881 7.6818 7.7569 8.0887 8.1255 8.3297 8.3540 8.7217 8.8088 9.7297 9.7311 10.5922 10.6147 14.2500 14.2502 16.6184 16.6245 k = 0.3992 0.2305 0.5334 ( 7653 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3191 -36.3191 -35.8200 -35.8186 -34.5537 -34.5533 -34.5526 -34.5518 -4.8712 -4.8712 -4.8636 -4.8576 -4.0421 -4.0386 -4.0174 -4.0071 -4.0014 -3.9940 4.1937 4.2099 6.5505 6.5824 7.3021 7.3140 7.6973 7.7796 8.0765 8.1085 8.3190 8.3476 8.7354 8.8232 9.6577 9.6589 10.5205 10.5437 14.2489 14.2491 16.5456 16.5493 k = 0.3952 0.2281 0.5465 ( 7649 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3191 -36.3191 -35.8200 -35.8186 -34.5537 -34.5533 -34.5526 -34.5518 -4.8711 -4.8711 -4.8636 -4.8575 -4.0421 -4.0385 -4.0174 -4.0065 -4.0017 -3.9938 4.2212 4.2379 6.5277 6.5601 7.3316 7.3443 7.7118 7.8018 8.0650 8.0911 8.3103 8.3427 8.7467 8.8350 9.5933 9.5972 10.4514 10.4752 14.2480 14.2482 16.4649 16.4675 k = 0.3911 0.2258 0.5597 ( 7646 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3191 -36.3191 -35.8200 -35.8186 -34.5537 -34.5533 -34.5526 -34.5518 -4.8710 -4.8710 -4.8637 -4.8574 -4.0422 -4.0384 -4.0174 -4.0060 -4.0019 -3.9935 4.2467 4.2639 6.5030 6.5355 7.3643 7.3782 7.7251 7.8234 8.0545 8.0736 8.3036 8.3393 8.7544 8.8429 9.5392 9.5455 10.3850 10.4094 14.2473 14.2475 16.3797 16.3817 k = 0.3871 0.2235 0.5729 ( 7648 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3191 -36.3191 -35.8200 -35.8186 -34.5537 -34.5533 -34.5527 -34.5518 -4.8709 -4.8709 -4.8637 -4.8574 -4.0422 -4.0383 -4.0174 -4.0056 -4.0021 -3.9933 4.2698 4.2873 6.4775 6.5097 7.3997 7.4152 7.7372 7.8440 8.0454 8.0568 8.2992 8.3377 8.7574 8.8453 9.4967 9.5047 10.3216 10.3465 14.2468 14.2469 16.2920 16.2937 k = 0.3831 0.2212 0.5860 ( 7652 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3191 -36.3191 -35.8200 -35.8187 -34.5537 -34.5533 -34.5527 -34.5518 -4.8708 -4.8708 -4.8638 -4.8573 -4.0422 -4.0383 -4.0174 -4.0053 -4.0022 -3.9931 4.2899 4.3076 6.4518 6.4834 7.4369 7.4542 7.7481 7.8633 8.0381 8.0416 8.2972 8.3379 8.7549 8.8409 9.4670 9.4756 10.2613 10.2867 14.2464 14.2465 16.2032 16.2048 k = 0.3790 0.2188 0.5992 ( 7648 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3191 -36.3191 -35.8200 -35.8187 -34.5537 -34.5533 -34.5527 -34.5518 -4.8707 -4.8707 -4.8639 -4.8573 -4.0422 -4.0383 -4.0174 -4.0051 -4.0021 -3.9930 4.3066 4.3243 6.4268 6.4575 7.4749 7.4941 7.7583 7.8806 8.0291 8.0331 8.2974 8.3399 8.7464 8.8292 9.4508 9.4586 10.2046 10.2303 14.2462 14.2464 16.1142 16.1158 k = 0.3750 0.2165 0.6124 ( 7642 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3191 -36.3191 -35.8200 -35.8187 -34.5537 -34.5533 -34.5527 -34.5519 -4.8706 -4.8706 -4.8639 -4.8574 -4.0423 -4.0383 -4.0174 -4.0051 -4.0019 -3.9928 4.3193 4.3369 6.4033 6.4329 7.5125 7.5332 7.7687 7.8953 8.0212 8.0308 8.2998 8.3437 8.7321 8.8102 9.4476 9.4535 10.1515 10.1776 14.2461 14.2465 16.0257 16.0272 k = 0.6250-0.0722 0.4082 ( 7642 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3191 -36.3191 -35.8200 -35.8187 -34.5537 -34.5533 -34.5527 -34.5519 -4.8706 -4.8706 -4.8639 -4.8574 -4.0423 -4.0383 -4.0174 -4.0051 -4.0019 -3.9928 4.3193 4.3369 6.4033 6.4329 7.5125 7.5332 7.7687 7.8953 8.0212 8.0308 8.2998 8.3437 8.7321 8.8102 9.4476 9.4535 10.1515 10.1776 14.2461 14.2465 16.0257 16.0272 k = 0.6181-0.0842 0.4082 ( 7650 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3191 -36.3191 -35.8200 -35.8187 -34.5536 -34.5533 -34.5527 -34.5519 -4.8705 -4.8704 -4.8640 -4.8575 -4.0423 -4.0383 -4.0173 -4.0052 -4.0014 -3.9927 4.3363 4.3537 6.3653 6.3926 7.5766 7.5984 7.7887 7.9186 8.0135 8.0309 8.3060 8.3517 8.7038 8.7732 9.4520 9.4542 10.0647 10.0911 14.2462 14.2468 15.8747 15.8763 k = 0.6111-0.0962 0.4082 ( 7654 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3191 -36.3191 -35.8200 -35.8187 -34.5536 -34.5533 -34.5527 -34.5519 -4.8703 -4.8702 -4.8642 -4.8576 -4.0424 -4.0384 -4.0172 -4.0055 -4.0009 -3.9925 4.3512 4.3682 6.3285 6.3537 7.6416 7.6612 7.8126 7.9439 8.0072 8.0343 8.3124 8.3592 8.6777 8.7387 9.4540 9.4548 9.9801 10.0070 14.2461 14.2470 15.7264 15.7281 k = 0.6042-0.1083 0.4082 ( 7650 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3191 -36.3190 -35.8200 -35.8188 -34.5536 -34.5533 -34.5527 -34.5519 -4.8701 -4.8700 -4.8643 -4.8578 -4.0424 -4.0385 -4.0171 -4.0058 -4.0002 -3.9923 4.3641 4.3806 6.2933 6.3165 7.7060 7.7169 7.8440 7.9715 8.0024 8.0416 8.3187 8.3662 8.6544 8.7069 9.4524 9.4557 9.8979 9.9252 14.2458 14.2471 15.5819 15.5837 k = 0.5972-0.1203 0.4082 ( 7652 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3190 -36.3190 -35.8200 -35.8188 -34.5536 -34.5533 -34.5527 -34.5519 -4.8699 -4.8699 -4.8644 -4.8580 -4.0424 -4.0386 -4.0170 -4.0062 -3.9996 -3.9922 4.3753 4.3911 6.2599 6.2811 7.7599 7.7680 7.8864 7.9977 8.0037 8.0538 8.3248 8.3726 8.6344 8.6782 9.4491 9.4543 9.8182 9.8458 14.2453 14.2468 15.4421 15.4440 k = 0.5903-0.1323 0.4082 ( 7658 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3190 -36.3190 -35.8199 -35.8188 -34.5535 -34.5533 -34.5527 -34.5520 -4.8697 -4.8696 -4.8645 -4.8583 -4.0424 -4.0388 -4.0168 -4.0066 -3.9990 -3.9920 4.3848 4.3998 6.2282 6.2476 7.7901 7.8254 7.9362 7.9975 8.0372 8.0734 8.3304 8.3784 8.6188 8.6532 9.4436 9.4503 9.7411 9.7691 14.2443 14.2462 15.3080 15.3101 k = 0.5833-0.1443 0.4082 ( 7662 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3190 -36.3190 -35.8199 -35.8189 -34.5535 -34.5533 -34.5527 -34.5520 -4.8695 -4.8694 -4.8646 -4.8585 -4.0424 -4.0389 -4.0166 -4.0071 -3.9984 -3.9919 4.3929 4.4071 6.1986 6.2161 7.8122 7.8751 7.9833 7.9992 8.0764 8.1047 8.3353 8.3837 8.6085 8.6323 9.4354 9.4434 9.6670 9.6952 14.2428 14.2451 15.1805 15.1828 k = 0.5764-0.1564 0.4082 ( 7674 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3191 -36.3190 -35.8199 -35.8189 -34.5534 -34.5533 -34.5527 -34.5521 -4.8693 -4.8691 -4.8647 -4.8588 -4.0424 -4.0391 -4.0164 -4.0075 -3.9977 -3.9918 4.3997 4.4130 6.1710 6.1868 7.8298 7.9139 8.0051 8.0195 8.1201 8.1499 8.3393 8.3890 8.6049 8.6165 9.4243 9.4332 9.5961 9.6243 14.2406 14.2433 15.0605 15.0631 k = 0.5694-0.1684 0.4082 ( 7684 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3191 -36.3190 -35.8199 -35.8190 -34.5534 -34.5533 -34.5527 -34.5521 -4.8692 -4.8689 -4.8648 -4.8592 -4.0424 -4.0392 -4.0162 -4.0080 -3.9971 -3.9918 4.4054 4.4177 6.1456 6.1598 7.8449 7.9395 8.0173 8.0461 8.1667 8.2024 8.3421 8.3958 8.6069 8.6095 9.4098 9.4191 9.5290 9.5567 14.2375 14.2406 14.9490 14.9520 k = 0.5625-0.1804 0.4082 ( 7690 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3191 -36.3191 -35.8198 -35.8190 -34.5534 -34.5533 -34.5528 -34.5521 -4.8690 -4.8686 -4.8649 -4.8595 -4.0423 -4.0394 -4.0160 -4.0085 -3.9966 -3.9917 4.4101 4.4213 6.1225 6.1351 7.8584 7.9533 8.0350 8.0673 8.2135 8.2514 8.3437 8.4072 8.6050 8.6238 9.3914 9.3998 9.4671 9.4931 14.2331 14.2367 14.8469 14.8503 k = 0.5556-0.1925 0.4082 ( 7682 PWs) bands (ev): -67.8282 -67.8282 -38.4494 -38.4492 -36.3190 -36.3190 -35.8198 -35.8190 -34.5533 -34.5533 -34.5528 -34.5522 -4.8688 -4.8683 -4.8649 -4.8599 -4.0423 -4.0396 -4.0157 -4.0089 -3.9960 -3.9917 4.4140 4.4241 6.1018 6.1128 7.8708 7.9600 8.0542 8.0857 8.2578 8.2865 8.3441 8.4269 8.6136 8.6484 9.3679 9.3717 9.4145 9.4346 14.2274 14.2314 14.7553 14.7591 k = 0.5486-0.2045 0.4082 ( 7682 PWs) bands (ev): -67.8282 -67.8282 -38.4493 -38.4492 -36.3190 -36.3190 -35.8197 -35.8191 -34.5533 -34.5533 -34.5527 -34.5522 -4.8687 -4.8681 -4.8649 -4.8603 -4.0422 -4.0398 -4.0154 -4.0094 -3.9955 -3.9917 4.4172 4.4261 6.0834 6.0929 7.8824 7.9634 8.0720 8.1018 8.2982 8.3048 8.3434 8.4524 8.6360 8.6831 9.3301 9.3373 9.3760 9.3835 14.2198 14.2241 14.6752 14.6793 k = 0.5417-0.2165 0.4082 ( 7690 PWs) bands (ev): -67.8282 -67.8282 -38.4493 -38.4492 -36.3190 -36.3190 -35.8197 -35.8191 -34.5533 -34.5533 -34.5527 -34.5523 -4.8685 -4.8679 -4.8648 -4.8607 -4.0421 -4.0400 -4.0151 -4.0099 -3.9950 -3.9917 4.4198 4.4275 6.0675 6.0756 7.8934 7.9648 8.0875 8.1156 8.3117 8.3337 8.3426 8.4749 8.6740 8.7263 9.2835 9.2981 9.3416 9.3439 14.2102 14.2147 14.6074 14.6116 k = 0.5347-0.2285 0.4082 ( 7686 PWs) bands (ev): -67.8282 -67.8282 -38.4493 -38.4493 -36.3190 -36.3190 -35.8196 -35.8192 -34.5533 -34.5532 -34.5527 -34.5523 -4.8684 -4.8678 -4.8647 -4.8611 -4.0420 -4.0402 -4.0147 -4.0104 -3.9945 -3.9918 4.4219 4.4284 6.0541 6.0607 7.9038 7.9648 8.1004 8.1268 8.3138 8.3394 8.3673 8.4902 8.7243 8.7755 9.2398 9.2551 9.3050 9.3112 14.1988 14.2032 14.5525 14.5566 k = 0.5278-0.2406 0.4082 ( 7694 PWs) bands (ev): -67.8282 -67.8282 -38.4493 -38.4493 -36.3190 -36.3190 -35.8196 -35.8192 -34.5532 -34.5532 -34.5527 -34.5524 -4.8682 -4.8677 -4.8645 -4.8615 -4.0419 -4.0404 -4.0144 -4.0109 -3.9941 -3.9919 4.4237 4.4289 6.0431 6.0484 7.9137 7.9637 8.1110 8.1348 8.3144 8.3369 8.3966 8.4988 8.7810 8.8280 9.2020 9.2138 9.2692 9.2763 14.1863 14.1903 14.5103 14.5141 k = 0.5208-0.2526 0.4082 ( 7688 PWs) bands (ev): -67.8282 -67.8282 -38.4493 -38.4493 -36.3190 -36.3190 -35.8196 -35.8193 -34.5532 -34.5532 -34.5527 -34.5524 -4.8681 -4.8677 -4.8642 -4.8620 -4.0417 -4.0406 -4.0140 -4.0114 -3.9937 -3.9920 4.4251 4.4291 6.0348 6.0387 7.9230 7.9612 8.1198 8.1397 8.3154 8.3340 8.4233 8.5022 8.8392 8.8805 9.1712 9.1763 9.2338 9.2397 14.1739 14.1772 14.4800 14.4831 k = 0.5139-0.2646 0.4082 ( 7676 PWs) bands (ev): -67.8282 -67.8282 -38.4493 -38.4493 -36.3190 -36.3190 -35.8195 -35.8193 -34.5532 -34.5532 -34.5526 -34.5525 -4.8680 -4.8677 -4.8639 -4.8624 -4.0416 -4.0408 -4.0136 -4.0119 -3.9933 -3.9922 4.4263 4.4289 6.0290 6.0316 7.9317 7.9576 8.1270 8.1414 8.3173 8.3307 8.4469 8.5007 8.8948 8.9289 9.1438 9.1476 9.2013 9.2037 14.1635 14.1658 14.4602 14.4624 k = 0.5069-0.2766 0.4082 ( 7660 PWs) bands (ev): -67.8282 -67.8282 -38.4493 -38.4493 -36.3190 -36.3190 -35.8194 -35.8194 -34.5532 -34.5532 -34.5526 -34.5525 -4.8679 -4.8677 -4.8636 -4.8628 -4.0414 -4.0410 -4.0132 -4.0123 -3.9930 -3.9924 4.4273 4.4286 6.0257 6.0271 7.9397 7.9527 8.1329 8.1405 8.3201 8.3271 8.4671 8.4943 8.9425 8.9649 9.1193 9.1288 9.1754 9.1767 14.1567 14.1579 14.4492 14.4504 k = 0.5000-0.2887 0.4082 ( 7640 PWs) bands (ev): -67.8282 -67.8282 -38.4493 -38.4493 -36.3190 -36.3190 -35.8194 -35.8194 -34.5532 -34.5532 -34.5526 -34.5526 -4.8678 -4.8678 -4.8632 -4.8632 -4.0412 -4.0412 -4.0128 -4.0128 -3.9927 -3.9927 4.4280 4.4280 6.0251 6.0251 7.9467 7.9467 8.1375 8.1375 8.3235 8.3235 8.4831 8.4831 8.9713 8.9713 9.1142 9.1142 9.1662 9.1662 14.1547 14.1547 14.4461 14.4461 Writing output data file Li2InRh.save init_run : 0.92s CPU 0.53s WALL ( 1 calls) electrons : 313.82s CPU 202.78s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.09s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 313.80s CPU 202.77s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.19s CPU 0.12s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.54s CPU 0.59s WALL ( 332 calls) cegterg : 264.19s CPU 173.65s WALL ( 375 calls) Called by sum_band: Called by *egterg: h_psi : 223.11s CPU 131.66s WALL ( 6292 calls) s_psi : 7.40s CPU 4.97s WALL ( 6292 calls) g_psi : 0.50s CPU 0.32s WALL ( 5585 calls) cdiaghg : 47.52s CPU 38.59s WALL ( 5917 calls) cegterg:over : 9.74s CPU 7.40s WALL ( 5585 calls) cegterg:upda : 9.55s CPU 7.12s WALL ( 5585 calls) cegterg:last : 3.86s CPU 3.34s WALL ( 1039 calls) cdiaghg:chol : 2.76s CPU 2.25s WALL ( 5917 calls) cdiaghg:inve : 1.38s CPU 1.15s WALL ( 5917 calls) cdiaghg:para : 2.33s CPU 2.20s WALL ( 11834 calls) Called by h_psi: h_psi:vloc : 207.58s CPU 121.36s WALL ( 6292 calls) h_psi:vnl : 15.11s CPU 9.98s WALL ( 6292 calls) add_vuspsi : 8.11s CPU 5.22s WALL ( 6292 calls) General routines calbec : 6.96s CPU 4.74s WALL ( 6292 calls) fft : 0.04s CPU 0.02s WALL ( 15 calls) fftw : 197.52s CPU 114.59s WALL ( 599388 calls) davcio : 0.40s CPU 1.44s WALL ( 664 calls) Parallel routines fft_scatter : 68.79s CPU 44.93s WALL ( 599403 calls) PWSCF : 5m35.38s CPU 3m59.66s WALL This run was terminated on: 4: 5:49 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=