Program PWSCF v.5.4.0 starts on 15Mar2017 at 12:46:58 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 144 processor cores Number of MPI processes: 72 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 72 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: ./Li2AlAg.save/ 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: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 28 28 8 847 847 125 Max 29 29 9 852 852 129 Sum 2053 2053 583 61143 61143 9185 bravais-lattice index = 14 lattice parameter (alat) = 8.4851 a.u. unit-cell volume = 431.9741 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 20.00 number of Kohn-Sham states= 28 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)= 8.485112 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 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. # 2 for Al read from file: /users/gautes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Ag read from file: /users/gautes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1237 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 Li 3.00 6.94100 Li( 1.00) Al 3.00 26.98150 Al( 1.00) Ag 11.00 107.86820 Ag( 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 0.5377358), 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 0.4386792), wk = 0.0030120 k( 120) = ( 0.2122642 0.2122641 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 0.1132075 0.2264151), wk = 0.0030120 k( 135) = ( 0.1061321 0.1061321 0.2122641), 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 0.1132075), 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 0.0813953 0.0813953), 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 0.2558139), 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 0.4186046 0.4186046), 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 0.4758064 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 0.5725806), 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 0.3225806 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 0.2741935 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 0.5241935), 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 0.5725806), 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 0.3991935 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: 61143 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.09 Mb ( 220, 28) NL pseudopotentials 0.16 Mb ( 110, 96) Each V/rho on FFT grid 0.05 Mb ( 3600) Each G-vector array 0.01 Mb ( 848) G-vector shells 0.00 Mb ( 360) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.38 Mb ( 220, 112) Each subspace H/S matrix 0.00 Mb ( 18, 18) Each matrix 0.08 Mb ( 96, 2, 28) The potential is recalculated from file : ./Li2AlAg.save/charge-density.dat Starting wfc are 46 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.1 secs Computing kpt #: 2 total cpu time spent up to now is 3.8 secs Computing kpt #: 3 total cpu time spent up to now is 4.2 secs Computing kpt #: 4 total cpu time spent up to now is 4.7 secs Computing kpt #: 5 total cpu time spent up to now is 5.2 secs Computing kpt #: 6 total cpu time spent up to now is 5.7 secs Computing kpt #: 7 total cpu time spent up to now is 6.2 secs Computing kpt #: 8 total cpu time spent up to now is 6.6 secs Computing kpt #: 9 total cpu time spent up to now is 7.1 secs Computing kpt #: 10 total cpu time spent up to now is 7.6 secs Computing kpt #: 11 total cpu time spent up to now is 8.1 secs Computing kpt #: 12 total cpu time spent up to now is 8.6 secs Computing kpt #: 13 total cpu time spent up to now is 9.2 secs Computing kpt #: 14 total cpu time spent up to now is 9.7 secs Computing kpt #: 15 total cpu time spent up to now is 10.2 secs Computing kpt #: 16 total cpu time spent up to now is 10.7 secs Computing kpt #: 17 total cpu time spent up to now is 11.2 secs Computing kpt #: 18 total cpu time spent up to now is 11.7 secs Computing kpt #: 19 total cpu time spent up to now is 12.1 secs Computing kpt #: 20 total cpu time spent up to now is 12.6 secs Computing kpt #: 21 total cpu time spent up to now is 13.1 secs Computing kpt #: 22 total cpu time spent up to now is 13.6 secs Computing kpt #: 23 total cpu time spent up to now is 14.2 secs Computing kpt #: 24 total cpu time spent up to now is 14.7 secs Computing kpt #: 25 total cpu time spent up to now is 15.3 secs Computing kpt #: 26 total cpu time spent up to now is 15.8 secs Computing kpt #: 27 total cpu time spent up to now is 16.4 secs Computing kpt #: 28 total cpu time spent up to now is 16.9 secs Computing kpt #: 29 total cpu time spent up to now is 17.5 secs Computing kpt #: 30 total cpu time spent up to now is 18.1 secs Computing kpt #: 31 total cpu time spent up to now is 18.9 secs Computing kpt #: 32 total cpu time spent up to now is 19.4 secs Computing kpt #: 33 total cpu time spent up to now is 20.0 secs Computing kpt #: 34 total cpu time spent up to now is 20.5 secs Computing kpt #: 35 total cpu time spent up to now is 21.1 secs Computing kpt #: 36 total cpu time spent up to now is 21.7 secs Computing kpt #: 37 total cpu time spent up to now is 22.3 secs Computing kpt #: 38 total cpu time spent up to now is 22.8 secs Computing kpt #: 39 total cpu time spent up to now is 23.4 secs Computing kpt #: 40 total cpu time spent up to now is 23.9 secs Computing kpt #: 41 total cpu time spent up to now is 24.5 secs Computing kpt #: 42 total cpu time spent up to now is 25.0 secs Computing kpt #: 43 total cpu time spent up to now is 25.5 secs Computing kpt #: 44 total cpu time spent up to now is 26.1 secs Computing kpt #: 45 total cpu time spent up to now is 26.7 secs Computing kpt #: 46 total cpu time spent up to now is 27.3 secs Computing kpt #: 47 total cpu time spent up to now is 27.9 secs Computing kpt #: 48 total cpu time spent up to now is 28.7 secs Computing kpt #: 49 total cpu time spent up to now is 29.4 secs Computing kpt #: 50 total cpu time spent up to now is 30.2 secs Computing kpt #: 51 total cpu time spent up to now is 31.0 secs Computing kpt #: 52 total cpu time spent up to now is 31.7 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 33.3 secs Computing kpt #: 55 total cpu time spent up to now is 33.9 secs Computing kpt #: 56 total cpu time spent up to now is 34.5 secs Computing kpt #: 57 total cpu time spent up to now is 35.1 secs Computing kpt #: 58 total cpu time spent up to now is 35.6 secs Computing kpt #: 59 total cpu time spent up to now is 36.1 secs Computing kpt #: 60 total cpu time spent up to now is 36.6 secs Computing kpt #: 61 total cpu time spent up to now is 37.0 secs Computing kpt #: 62 total cpu time spent up to now is 37.5 secs Computing kpt #: 63 total cpu time spent up to now is 37.9 secs Computing kpt #: 64 total cpu time spent up to now is 38.3 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 39.2 secs Computing kpt #: 67 total cpu time spent up to now is 39.6 secs Computing kpt #: 68 total cpu time spent up to now is 40.0 secs Computing kpt #: 69 total cpu time spent up to now is 40.5 secs Computing kpt #: 70 total cpu time spent up to now is 40.9 secs Computing kpt #: 71 total cpu time spent up to now is 41.4 secs Computing kpt #: 72 total cpu time spent up to now is 41.8 secs Computing kpt #: 73 total cpu time spent up to now is 42.2 secs Computing kpt #: 74 total cpu time spent up to now is 42.7 secs Computing kpt #: 75 total cpu time spent up to now is 43.1 secs Computing kpt #: 76 total cpu time spent up to now is 43.6 secs Computing kpt #: 77 total cpu time spent up to now is 44.0 secs Computing kpt #: 78 total cpu time spent up to now is 44.4 secs Computing kpt #: 79 total cpu time spent up to now is 44.9 secs Computing kpt #: 80 total cpu time spent up to now is 45.3 secs Computing kpt #: 81 total cpu time spent up to now is 45.8 secs Computing kpt #: 82 total cpu time spent up to now is 46.2 secs Computing kpt #: 83 total cpu time spent up to now is 46.6 secs Computing kpt #: 84 total cpu time spent up to now is 47.1 secs Computing kpt #: 85 total cpu time spent up to now is 47.5 secs Computing kpt #: 86 total cpu time spent up to now is 48.0 secs Computing kpt #: 87 total cpu time spent up to now is 48.4 secs Computing kpt #: 88 total cpu time spent up to now is 48.8 secs Computing kpt #: 89 total cpu time spent up to now is 49.2 secs Computing kpt #: 90 total cpu time spent up to now is 49.6 secs Computing kpt #: 91 total cpu time spent up to now is 50.1 secs Computing kpt #: 92 total cpu time spent up to now is 50.5 secs Computing kpt #: 93 total cpu time spent up to now is 51.0 secs Computing kpt #: 94 total cpu time spent up to now is 51.4 secs Computing kpt #: 95 total cpu time spent up to now is 51.8 secs Computing kpt #: 96 total cpu time spent up to now is 52.3 secs Computing kpt #: 97 total cpu time spent up to now is 52.8 secs Computing kpt #: 98 total cpu time spent up to now is 53.2 secs Computing kpt #: 99 total cpu time spent up to now is 53.7 secs Computing kpt #: 100 total cpu time spent up to now is 54.1 secs Computing kpt #: 101 total cpu time spent up to now is 54.6 secs Computing kpt #: 102 total cpu time spent up to now is 55.0 secs Computing kpt #: 103 total cpu time spent up to now is 55.5 secs Computing kpt #: 104 total cpu time spent up to now is 55.9 secs Computing kpt #: 105 total cpu time spent up to now is 56.4 secs Computing kpt #: 106 total cpu time spent up to now is 56.9 secs Computing kpt #: 107 total cpu time spent up to now is 57.4 secs Computing kpt #: 108 total cpu time spent up to now is 57.9 secs Computing kpt #: 109 total cpu time spent up to now is 58.4 secs Computing kpt #: 110 total cpu time spent up to now is 58.9 secs Computing kpt #: 111 total cpu time spent up to now is 59.4 secs Computing kpt #: 112 total cpu time spent up to now is 59.9 secs Computing kpt #: 113 total cpu time spent up to now is 60.4 secs Computing kpt #: 114 total cpu time spent up to now is 60.9 secs Computing kpt #: 115 total cpu time spent up to now is 61.4 secs Computing kpt #: 116 total cpu time spent up to now is 61.9 secs Computing kpt #: 117 total cpu time spent up to now is 62.4 secs Computing kpt #: 118 total cpu time spent up to now is 62.9 secs Computing kpt #: 119 total cpu time spent up to now is 63.4 secs Computing kpt #: 120 total cpu time spent up to now is 63.9 secs Computing kpt #: 121 total cpu time spent up to now is 64.4 secs Computing kpt #: 122 total cpu time spent up to now is 64.9 secs Computing kpt #: 123 total cpu time spent up to now is 65.4 secs Computing kpt #: 124 total cpu time spent up to now is 65.9 secs Computing kpt #: 125 total cpu time spent up to now is 66.4 secs Computing kpt #: 126 total cpu time spent up to now is 66.9 secs Computing kpt #: 127 total cpu time spent up to now is 67.4 secs Computing kpt #: 128 total cpu time spent up to now is 67.9 secs Computing kpt #: 129 total cpu time spent up to now is 68.4 secs Computing kpt #: 130 total cpu time spent up to now is 68.9 secs Computing kpt #: 131 total cpu time spent up to now is 69.4 secs Computing kpt #: 132 total cpu time spent up to now is 69.9 secs Computing kpt #: 133 total cpu time spent up to now is 70.4 secs Computing kpt #: 134 total cpu time spent up to now is 70.9 secs Computing kpt #: 135 total cpu time spent up to now is 71.5 secs Computing kpt #: 136 total cpu time spent up to now is 71.9 secs Computing kpt #: 137 total cpu time spent up to now is 72.4 secs Computing kpt #: 138 total cpu time spent up to now is 72.9 secs Computing kpt #: 139 total cpu time spent up to now is 73.4 secs Computing kpt #: 140 total cpu time spent up to now is 73.8 secs Computing kpt #: 141 total cpu time spent up to now is 74.3 secs Computing kpt #: 142 total cpu time spent up to now is 74.8 secs Computing kpt #: 143 total cpu time spent up to now is 75.3 secs Computing kpt #: 144 total cpu time spent up to now is 75.7 secs Computing kpt #: 145 total cpu time spent up to now is 76.2 secs Computing kpt #: 146 total cpu time spent up to now is 76.7 secs Computing kpt #: 147 total cpu time spent up to now is 77.1 secs Computing kpt #: 148 total cpu time spent up to now is 77.6 secs Computing kpt #: 149 total cpu time spent up to now is 78.1 secs Computing kpt #: 150 total cpu time spent up to now is 78.6 secs Computing kpt #: 151 total cpu time spent up to now is 79.1 secs Computing kpt #: 152 total cpu time spent up to now is 79.6 secs Computing kpt #: 153 total cpu time spent up to now is 80.1 secs Computing kpt #: 154 total cpu time spent up to now is 80.6 secs Computing kpt #: 155 total cpu time spent up to now is 81.1 secs Computing kpt #: 156 total cpu time spent up to now is 81.6 secs Computing kpt #: 157 total cpu time spent up to now is 82.1 secs Computing kpt #: 158 total cpu time spent up to now is 82.5 secs Computing kpt #: 159 total cpu time spent up to now is 83.0 secs Computing kpt #: 160 total cpu time spent up to now is 83.5 secs Computing kpt #: 161 total cpu time spent up to now is 84.0 secs Computing kpt #: 162 total cpu time spent up to now is 84.5 secs Computing kpt #: 163 total cpu time spent up to now is 84.9 secs Computing kpt #: 164 total cpu time spent up to now is 85.4 secs Computing kpt #: 165 total cpu time spent up to now is 85.9 secs Computing kpt #: 166 total cpu time spent up to now is 86.4 secs Computing kpt #: 167 total cpu time spent up to now is 86.9 secs Computing kpt #: 168 total cpu time spent up to now is 87.3 secs Computing kpt #: 169 total cpu time spent up to now is 87.8 secs Computing kpt #: 170 total cpu time spent up to now is 88.2 secs Computing kpt #: 171 total cpu time spent up to now is 88.7 secs Computing kpt #: 172 total cpu time spent up to now is 89.1 secs Computing kpt #: 173 total cpu time spent up to now is 89.6 secs Computing kpt #: 174 total cpu time spent up to now is 90.0 secs Computing kpt #: 175 total cpu time spent up to now is 90.4 secs Computing kpt #: 176 total cpu time spent up to now is 90.8 secs Computing kpt #: 177 total cpu time spent up to now is 91.2 secs Computing kpt #: 178 total cpu time spent up to now is 91.7 secs Computing kpt #: 179 total cpu time spent up to now is 92.1 secs Computing kpt #: 180 total cpu time spent up to now is 92.5 secs Computing kpt #: 181 total cpu time spent up to now is 92.9 secs Computing kpt #: 182 total cpu time spent up to now is 93.3 secs Computing kpt #: 183 total cpu time spent up to now is 93.7 secs Computing kpt #: 184 total cpu time spent up to now is 94.1 secs Computing kpt #: 185 total cpu time spent up to now is 94.5 secs Computing kpt #: 186 total cpu time spent up to now is 95.0 secs Computing kpt #: 187 total cpu time spent up to now is 95.4 secs Computing kpt #: 188 total cpu time spent up to now is 95.8 secs Computing kpt #: 189 total cpu time spent up to now is 96.1 secs Computing kpt #: 190 total cpu time spent up to now is 96.7 secs Computing kpt #: 191 total cpu time spent up to now is 97.0 secs Computing kpt #: 192 total cpu time spent up to now is 97.4 secs Computing kpt #: 193 total cpu time spent up to now is 97.8 secs Computing kpt #: 194 total cpu time spent up to now is 98.2 secs Computing kpt #: 195 total cpu time spent up to now is 98.6 secs Computing kpt #: 196 total cpu time spent up to now is 99.0 secs Computing kpt #: 197 total cpu time spent up to now is 99.4 secs Computing kpt #: 198 total cpu time spent up to now is 99.8 secs Computing kpt #: 199 total cpu time spent up to now is 100.2 secs Computing kpt #: 200 total cpu time spent up to now is 100.6 secs Computing kpt #: 201 total cpu time spent up to now is 101.0 secs Computing kpt #: 202 total cpu time spent up to now is 101.4 secs Computing kpt #: 203 total cpu time spent up to now is 101.8 secs Computing kpt #: 204 total cpu time spent up to now is 102.2 secs Computing kpt #: 205 total cpu time spent up to now is 102.6 secs Computing kpt #: 206 total cpu time spent up to now is 103.0 secs Computing kpt #: 207 total cpu time spent up to now is 103.4 secs Computing kpt #: 208 total cpu time spent up to now is 103.9 secs Computing kpt #: 209 total cpu time spent up to now is 104.3 secs Computing kpt #: 210 total cpu time spent up to now is 104.7 secs Computing kpt #: 211 total cpu time spent up to now is 105.2 secs Computing kpt #: 212 total cpu time spent up to now is 105.7 secs Computing kpt #: 213 total cpu time spent up to now is 106.1 secs Computing kpt #: 214 total cpu time spent up to now is 106.6 secs Computing kpt #: 215 total cpu time spent up to now is 107.1 secs Computing kpt #: 216 total cpu time spent up to now is 107.5 secs Computing kpt #: 217 total cpu time spent up to now is 108.0 secs Computing kpt #: 218 total cpu time spent up to now is 108.5 secs Computing kpt #: 219 total cpu time spent up to now is 108.9 secs Computing kpt #: 220 total cpu time spent up to now is 109.4 secs Computing kpt #: 221 total cpu time spent up to now is 109.8 secs Computing kpt #: 222 total cpu time spent up to now is 110.2 secs Computing kpt #: 223 total cpu time spent up to now is 110.7 secs Computing kpt #: 224 total cpu time spent up to now is 111.2 secs Computing kpt #: 225 total cpu time spent up to now is 111.6 secs Computing kpt #: 226 total cpu time spent up to now is 112.1 secs Computing kpt #: 227 total cpu time spent up to now is 112.5 secs Computing kpt #: 228 total cpu time spent up to now is 113.0 secs Computing kpt #: 229 total cpu time spent up to now is 113.4 secs Computing kpt #: 230 total cpu time spent up to now is 113.9 secs Computing kpt #: 231 total cpu time spent up to now is 114.3 secs Computing kpt #: 232 total cpu time spent up to now is 114.8 secs Computing kpt #: 233 total cpu time spent up to now is 115.2 secs Computing kpt #: 234 total cpu time spent up to now is 115.6 secs Computing kpt #: 235 total cpu time spent up to now is 116.1 secs Computing kpt #: 236 total cpu time spent up to now is 116.5 secs Computing kpt #: 237 total cpu time spent up to now is 116.9 secs Computing kpt #: 238 total cpu time spent up to now is 117.4 secs Computing kpt #: 239 total cpu time spent up to now is 117.8 secs Computing kpt #: 240 total cpu time spent up to now is 118.3 secs Computing kpt #: 241 total cpu time spent up to now is 118.7 secs Computing kpt #: 242 total cpu time spent up to now is 119.1 secs Computing kpt #: 243 total cpu time spent up to now is 119.6 secs Computing kpt #: 244 total cpu time spent up to now is 120.0 secs Computing kpt #: 245 total cpu time spent up to now is 120.4 secs Computing kpt #: 246 total cpu time spent up to now is 120.8 secs Computing kpt #: 247 total cpu time spent up to now is 121.3 secs Computing kpt #: 248 total cpu time spent up to now is 121.7 secs Computing kpt #: 249 total cpu time spent up to now is 122.1 secs Computing kpt #: 250 total cpu time spent up to now is 122.6 secs Computing kpt #: 251 total cpu time spent up to now is 123.0 secs Computing kpt #: 252 total cpu time spent up to now is 123.5 secs Computing kpt #: 253 total cpu time spent up to now is 123.9 secs Computing kpt #: 254 total cpu time spent up to now is 124.4 secs Computing kpt #: 255 total cpu time spent up to now is 124.9 secs Computing kpt #: 256 total cpu time spent up to now is 125.3 secs Computing kpt #: 257 total cpu time spent up to now is 125.8 secs Computing kpt #: 258 total cpu time spent up to now is 126.2 secs Computing kpt #: 259 total cpu time spent up to now is 126.7 secs Computing kpt #: 260 total cpu time spent up to now is 127.1 secs Computing kpt #: 261 total cpu time spent up to now is 127.6 secs Computing kpt #: 262 total cpu time spent up to now is 128.1 secs Computing kpt #: 263 total cpu time spent up to now is 128.5 secs Computing kpt #: 264 total cpu time spent up to now is 129.0 secs Computing kpt #: 265 total cpu time spent up to now is 129.4 secs Computing kpt #: 266 total cpu time spent up to now is 129.8 secs Computing kpt #: 267 total cpu time spent up to now is 130.2 secs Computing kpt #: 268 total cpu time spent up to now is 130.6 secs Computing kpt #: 269 total cpu time spent up to now is 131.0 secs Computing kpt #: 270 total cpu time spent up to now is 131.5 secs Computing kpt #: 271 total cpu time spent up to now is 131.9 secs Computing kpt #: 272 total cpu time spent up to now is 132.3 secs Computing kpt #: 273 total cpu time spent up to now is 132.6 secs Computing kpt #: 274 total cpu time spent up to now is 133.0 secs Computing kpt #: 275 total cpu time spent up to now is 133.4 secs Computing kpt #: 276 total cpu time spent up to now is 133.8 secs Computing kpt #: 277 total cpu time spent up to now is 134.2 secs Computing kpt #: 278 total cpu time spent up to now is 134.6 secs Computing kpt #: 279 total cpu time spent up to now is 135.0 secs Computing kpt #: 280 total cpu time spent up to now is 135.4 secs Computing kpt #: 281 total cpu time spent up to now is 135.8 secs Computing kpt #: 282 total cpu time spent up to now is 136.2 secs Computing kpt #: 283 total cpu time spent up to now is 136.6 secs Computing kpt #: 284 total cpu time spent up to now is 137.0 secs Computing kpt #: 285 total cpu time spent up to now is 137.4 secs Computing kpt #: 286 total cpu time spent up to now is 137.8 secs Computing kpt #: 287 total cpu time spent up to now is 138.2 secs Computing kpt #: 288 total cpu time spent up to now is 138.6 secs Computing kpt #: 289 total cpu time spent up to now is 139.0 secs Computing kpt #: 290 total cpu time spent up to now is 139.4 secs Computing kpt #: 291 total cpu time spent up to now is 139.8 secs Computing kpt #: 292 total cpu time spent up to now is 140.2 secs Computing kpt #: 293 total cpu time spent up to now is 140.6 secs Computing kpt #: 294 total cpu time spent up to now is 141.1 secs Computing kpt #: 295 total cpu time spent up to now is 141.5 secs Computing kpt #: 296 total cpu time spent up to now is 141.9 secs Computing kpt #: 297 total cpu time spent up to now is 142.3 secs Computing kpt #: 298 total cpu time spent up to now is 142.7 secs Computing kpt #: 299 total cpu time spent up to now is 143.2 secs Computing kpt #: 300 total cpu time spent up to now is 143.7 secs Computing kpt #: 301 total cpu time spent up to now is 144.1 secs Computing kpt #: 302 total cpu time spent up to now is 144.6 secs Computing kpt #: 303 total cpu time spent up to now is 145.1 secs Computing kpt #: 304 total cpu time spent up to now is 145.5 secs Computing kpt #: 305 total cpu time spent up to now is 146.0 secs Computing kpt #: 306 total cpu time spent up to now is 146.4 secs Computing kpt #: 307 total cpu time spent up to now is 146.9 secs Computing kpt #: 308 total cpu time spent up to now is 147.3 secs Computing kpt #: 309 total cpu time spent up to now is 147.8 secs Computing kpt #: 310 total cpu time spent up to now is 148.2 secs Computing kpt #: 311 total cpu time spent up to now is 148.7 secs Computing kpt #: 312 total cpu time spent up to now is 149.1 secs Computing kpt #: 313 total cpu time spent up to now is 149.6 secs Computing kpt #: 314 total cpu time spent up to now is 150.0 secs Computing kpt #: 315 total cpu time spent up to now is 150.5 secs Computing kpt #: 316 total cpu time spent up to now is 150.9 secs Computing kpt #: 317 total cpu time spent up to now is 151.4 secs Computing kpt #: 318 total cpu time spent up to now is 151.8 secs Computing kpt #: 319 total cpu time spent up to now is 152.3 secs Computing kpt #: 320 total cpu time spent up to now is 152.7 secs Computing kpt #: 321 total cpu time spent up to now is 153.2 secs Computing kpt #: 322 total cpu time spent up to now is 153.7 secs Computing kpt #: 323 total cpu time spent up to now is 154.1 secs Computing kpt #: 324 total cpu time spent up to now is 154.6 secs Computing kpt #: 325 total cpu time spent up to now is 155.1 secs Computing kpt #: 326 total cpu time spent up to now is 155.7 secs Computing kpt #: 327 total cpu time spent up to now is 156.2 secs Computing kpt #: 328 total cpu time spent up to now is 156.8 secs Computing kpt #: 329 total cpu time spent up to now is 157.5 secs Computing kpt #: 330 total cpu time spent up to now is 158.2 secs Computing kpt #: 331 total cpu time spent up to now is 159.0 secs Computing kpt #: 332 total cpu time spent up to now is 159.8 secs ethr = 5.00E-08, avg # of iterations = 17.2 total cpu time spent up to now is 159.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7631 PWs) bands (ev): -39.7837 -39.7837 -39.6038 -39.6038 -1.1853 -1.1853 0.7659 0.7659 0.7659 0.7659 1.1727 1.1727 1.4739 1.4739 1.4739 1.4739 9.0738 9.0738 9.1737 9.1737 9.1737 9.1737 9.4852 9.4852 9.5535 9.5535 9.5535 9.5535 k = 0.0100-0.0058 0.0082 ( 7655 PWs) bands (ev): -39.7837 -39.7837 -39.6038 -39.6038 -1.1842 -1.1842 0.7657 0.7657 0.7664 0.7664 1.1729 1.1729 1.4733 1.4733 1.4743 1.4743 9.0382 9.0382 9.1361 9.1361 9.1624 9.1624 9.4952 9.4953 9.5708 9.5708 9.6018 9.6018 k = 0.0200-0.0115 0.0163 ( 7679 PWs) bands (ev): -39.7837 -39.7837 -39.6039 -39.6039 -1.1807 -1.1807 0.7657 0.7657 0.7672 0.7672 1.1734 1.1734 1.4724 1.4724 1.4748 1.4748 8.9471 8.9471 9.0435 9.0435 9.1518 9.1518 9.4835 9.4835 9.6487 9.6487 9.7036 9.7036 k = 0.0300-0.0173 0.0245 ( 7679 PWs) bands (ev): -39.7837 -39.7837 -39.6039 -39.6039 -1.1749 -1.1749 0.7659 0.7659 0.7683 0.7683 1.1742 1.1742 1.4712 1.4712 1.4754 1.4754 8.8322 8.8322 8.9285 8.9285 9.1451 9.1451 9.4459 9.4459 9.7611 9.7611 9.8229 9.8229 k = 0.0400-0.0231 0.0327 ( 7679 PWs) bands (ev): -39.7836 -39.7836 -39.6039 -39.6039 -1.1667 -1.1667 0.7663 0.7663 0.7697 0.7697 1.1754 1.1754 1.4695 1.4695 1.4763 1.4763 8.7087 8.7088 8.8054 8.8054 9.1380 9.1380 9.3927 9.3927 9.8850 9.8850 9.9485 9.9485 k = 0.0500-0.0289 0.0408 ( 7691 PWs) bands (ev): -39.7836 -39.7836 -39.6039 -39.6039 -1.1563 -1.1563 0.7669 0.7669 0.7714 0.7714 1.1769 1.1769 1.4675 1.4675 1.4773 1.4773 8.5820 8.5820 8.6792 8.6792 9.1281 9.1281 9.3288 9.3288 10.0133 10.0133 10.0764 10.0764 k = 0.0600-0.0346 0.0490 ( 7683 PWs) bands (ev): -39.7836 -39.7836 -39.6039 -39.6039 -1.1436 -1.1436 0.7676 0.7676 0.7734 0.7734 1.1787 1.1787 1.4650 1.4650 1.4785 1.4785 8.4541 8.4541 8.5519 8.5519 9.1111 9.1111 9.2601 9.2601 10.1432 10.1432 10.2049 10.2049 k = 0.0700-0.0404 0.0572 ( 7667 PWs) bands (ev): -39.7836 -39.7836 -39.6039 -39.6039 -1.1285 -1.1285 0.7686 0.7686 0.7758 0.7758 1.1809 1.1809 1.4622 1.4622 1.4800 1.4800 8.3262 8.3262 8.4246 8.4246 9.0750 9.0750 9.2000 9.2000 10.2730 10.2730 10.3328 10.3328 k = 0.0800-0.0462 0.0653 ( 7659 PWs) bands (ev): -39.7835 -39.7835 -39.6040 -39.6040 -1.1112 -1.1112 0.7696 0.7696 0.7785 0.7785 1.1835 1.1835 1.4590 1.4590 1.4816 1.4816 8.1989 8.1989 8.2979 8.2979 9.0055 9.0055 9.1639 9.1639 10.4018 10.4018 10.4596 10.4596 k = 0.0900-0.0520 0.0735 ( 7651 PWs) bands (ev): -39.7835 -39.7835 -39.6040 -39.6040 -1.0917 -1.0917 0.7708 0.7708 0.7816 0.7816 1.1864 1.1864 1.4555 1.4555 1.4835 1.4835 8.0725 8.0725 8.1721 8.1721 8.9105 8.9105 9.1448 9.1448 10.5289 10.5289 10.5846 10.5846 k = 0.1000-0.0577 0.0816 ( 7651 PWs) bands (ev): -39.7834 -39.7834 -39.6040 -39.6040 -1.0699 -1.0699 0.7721 0.7721 0.7850 0.7850 1.1897 1.1897 1.4517 1.4517 1.4856 1.4856 7.9473 7.9473 8.0475 8.0475 8.8015 8.8015 9.1317 9.1317 10.6535 10.6535 10.7074 10.7074 k = 0.1100-0.0635 0.0898 ( 7635 PWs) bands (ev): -39.7834 -39.7834 -39.6041 -39.6041 -1.0459 -1.0459 0.7736 0.7736 0.7888 0.7888 1.1933 1.1933 1.4478 1.4478 1.4879 1.4879 7.8236 7.8236 7.9242 7.9242 8.6831 8.6831 9.1207 9.1207 10.7737 10.7737 10.8267 10.8267 k = 0.1200-0.0693 0.0980 ( 7635 PWs) bands (ev): -39.7833 -39.7833 -39.6041 -39.6041 -1.0197 -1.0197 0.7751 0.7751 0.7930 0.7930 1.1973 1.1973 1.4437 1.4437 1.4905 1.4905 7.7015 7.7015 7.8024 7.8024 8.5571 8.5571 9.1105 9.1105 10.8237 10.8237 10.9087 10.9087 k = 0.1300-0.0751 0.1061 ( 7619 PWs) bands (ev): -39.7833 -39.7833 -39.6041 -39.6041 -0.9914 -0.9914 0.7768 0.7768 0.7975 0.7975 1.2016 1.2016 1.4394 1.4394 1.4932 1.4932 7.5811 7.5811 7.6824 7.6824 8.4244 8.4244 9.1005 9.1005 10.7065 10.7065 11.0179 11.0179 k = 0.1400-0.0808 0.1143 ( 7623 PWs) bands (ev): -39.7832 -39.7832 -39.6042 -39.6042 -0.9610 -0.9610 0.7785 0.7785 0.8023 0.8023 1.2063 1.2063 1.4352 1.4352 1.4962 1.4962 7.4624 7.4624 7.5640 7.5640 8.2857 8.2857 9.0905 9.0905 10.5857 10.5857 11.1308 11.1308 k = 0.1500-0.0866 0.1225 ( 7623 PWs) bands (ev): -39.7832 -39.7832 -39.6042 -39.6042 -0.9285 -0.9285 0.7804 0.7804 0.8076 0.8076 1.2114 1.2114 1.4310 1.4310 1.4993 1.4993 7.3457 7.3457 7.4476 7.4476 8.1415 8.1415 9.0804 9.0804 10.4699 10.4699 11.2417 11.2417 k = 0.1600-0.0924 0.1306 ( 7631 PWs) bands (ev): -39.7831 -39.7831 -39.6043 -39.6043 -0.8940 -0.8940 0.7822 0.7822 0.8132 0.8132 1.2168 1.2168 1.4269 1.4269 1.5027 1.5027 7.2310 7.2310 7.3331 7.3331 7.9924 7.9924 9.0702 9.0702 10.3601 10.3601 11.3502 11.3502 k = 0.1700-0.0981 0.1388 ( 7623 PWs) bands (ev): -39.7830 -39.7830 -39.6043 -39.6043 -0.8576 -0.8576 0.7842 0.7842 0.8193 0.8193 1.2226 1.2226 1.4231 1.4231 1.5063 1.5063 7.1183 7.1183 7.2206 7.2206 7.8390 7.8390 9.0599 9.0599 10.2563 10.2563 11.4566 11.4566 k = 0.1800-0.1039 0.1470 ( 7627 PWs) bands (ev): -39.7830 -39.7830 -39.6044 -39.6044 -0.8193 -0.8193 0.7861 0.7861 0.8258 0.8258 1.2286 1.2286 1.4196 1.4196 1.5100 1.5100 7.0077 7.0077 7.1102 7.1102 7.6819 7.6819 9.0496 9.0496 10.1586 10.1586 11.5612 11.5612 k = 0.1900-0.1097 0.1551 ( 7619 PWs) bands (ev): -39.7829 -39.7829 -39.6045 -39.6045 -0.7791 -0.7791 0.7880 0.7880 0.8328 0.8328 1.2349 1.2349 1.4164 1.4164 1.5140 1.5140 6.8993 6.8993 7.0020 7.0020 7.5215 7.5215 9.0392 9.0392 10.0667 10.0667 11.6644 11.6644 k = 0.2000-0.1155 0.1633 ( 7623 PWs) bands (ev): -39.7828 -39.7828 -39.6045 -39.6045 -0.7373 -0.7373 0.7898 0.7898 0.8403 0.8403 1.2414 1.2414 1.4139 1.4139 1.5182 1.5182 6.7930 6.7930 6.8961 6.8961 7.3585 7.3585 9.0288 9.0288 9.9804 9.9804 11.7666 11.7666 k = 0.2100-0.1212 0.1715 ( 7623 PWs) bands (ev): -39.7828 -39.7828 -39.6046 -39.6046 -0.6939 -0.6939 0.7916 0.7916 0.8484 0.8484 1.2481 1.2481 1.4119 1.4119 1.5226 1.5226 6.6890 6.6890 6.7925 6.7925 7.1935 7.1935 9.0185 9.0185 9.8993 9.8993 11.8683 11.8683 k = 0.2200-0.1270 0.1796 ( 7611 PWs) bands (ev): -39.7827 -39.7827 -39.6046 -39.6046 -0.6489 -0.6489 0.7932 0.7932 0.8572 0.8572 1.2550 1.2550 1.4108 1.4108 1.5271 1.5271 6.5870 6.5870 6.6912 6.6912 7.0271 7.0271 9.0083 9.0083 9.8233 9.8233 11.9699 11.9699 k = 0.2300-0.1328 0.1878 ( 7619 PWs) bands (ev): -39.7826 -39.7826 -39.6047 -39.6047 -0.6027 -0.6027 0.7946 0.7946 0.8667 0.8667 1.2618 1.2618 1.4107 1.4107 1.5319 1.5319 6.4871 6.4871 6.5924 6.5924 6.8599 6.8599 8.9981 8.9981 9.7520 9.7520 12.0716 12.0716 k = 0.2400-0.1386 0.1960 ( 7611 PWs) bands (ev): -39.7825 -39.7825 -39.6048 -39.6048 -0.5552 -0.5552 0.7959 0.7959 0.8770 0.8770 1.2687 1.2687 1.4117 1.4117 1.5369 1.5369 6.3890 6.3890 6.4961 6.4961 6.6928 6.6928 8.9881 8.9881 9.6851 9.6851 12.1738 12.1738 k = 0.2500-0.1443 0.2041 ( 7603 PWs) bands (ev): -39.7825 -39.7825 -39.6048 -39.6048 -0.5067 -0.5067 0.7968 0.7968 0.8882 0.8882 1.2753 1.2753 1.4139 1.4139 1.5421 1.5421 6.2917 6.2917 6.4023 6.4023 6.5271 6.5271 8.9783 8.9783 9.6223 9.6223 12.2769 12.2769 k = 0.2600-0.1501 0.2123 ( 7619 PWs) bands (ev): -39.7824 -39.7824 -39.6049 -39.6049 -0.4573 -0.4573 0.7975 0.7975 0.9004 0.9004 1.2818 1.2818 1.4176 1.4176 1.5476 1.5476 6.1931 6.1931 6.3107 6.3107 6.3659 6.3659 8.9688 8.9688 9.5634 9.5634 12.3809 12.3809 k = 0.2700-0.1559 0.2205 ( 7631 PWs) bands (ev): -39.7823 -39.7823 -39.6050 -39.6050 -0.4074 -0.4074 0.7979 0.7979 0.9138 0.9138 1.2879 1.2879 1.4229 1.4229 1.5532 1.5532 6.0863 6.0863 6.2095 6.2095 6.2283 6.2283 8.9594 8.9594 9.5081 9.5081 12.4862 12.4862 k = 0.2800-0.1617 0.2286 ( 7623 PWs) bands (ev): -39.7822 -39.7822 -39.6050 -39.6050 -0.3571 -0.3571 0.7978 0.7978 0.9284 0.9284 1.2938 1.2938 1.4299 1.4299 1.5592 1.5592 5.9579 5.9579 6.0873 6.0873 6.1395 6.1395 8.9504 8.9504 9.4563 9.4563 12.5930 12.5930 k = 0.2900-0.1674 0.2368 ( 7631 PWs) bands (ev): -39.7822 -39.7822 -39.6051 -39.6051 -0.3068 -0.3068 0.7974 0.7974 0.9443 0.9443 1.2992 1.2992 1.4387 1.4387 1.5655 1.5655 5.8076 5.8076 5.9878 5.9878 6.0566 6.0566 8.9416 8.9416 9.4077 9.4077 12.7013 12.7013 k = 0.3000-0.1732 0.2449 ( 7635 PWs) bands (ev): -39.7821 -39.7821 -39.6052 -39.6052 -0.2567 -0.2567 0.7966 0.7966 0.9617 0.9617 1.3043 1.3043 1.4494 1.4494 1.5722 1.5722 5.6482 5.6482 5.9012 5.9012 5.9770 5.9770 8.9332 8.9332 9.3621 9.3621 12.8113 12.8113 k = 0.3100-0.1790 0.2531 ( 7640 PWs) bands (ev): -39.7820 -39.7820 -39.6052 -39.6052 -0.2071 -0.2071 0.7953 0.7953 0.9805 0.9805 1.3091 1.3091 1.4619 1.4619 1.5795 1.5795 5.4862 5.4862 5.8216 5.8216 5.9005 5.9005 8.9251 8.9251 9.3195 9.3195 12.9232 12.9232 k = 0.3200-0.1848 0.2613 ( 7644 PWs) bands (ev): -39.7820 -39.7820 -39.6053 -39.6053 -0.1585 -0.1585 0.7937 0.7937 1.0008 1.0008 1.3136 1.3136 1.4762 1.4762 1.5875 1.5875 5.3241 5.3241 5.7467 5.7467 5.8272 5.8272 8.9174 8.9174 9.2796 9.2796 13.0369 13.0369 k = 0.3300-0.1905 0.2694 ( 7668 PWs) bands (ev): -39.7819 -39.7819 -39.6054 -39.6054 -0.1111 -0.1111 0.7916 0.7916 1.0226 1.0226 1.3179 1.3179 1.4921 1.4921 1.5966 1.5966 5.1629 5.1629 5.6760 5.6760 5.7572 5.7572 8.9102 8.9102 9.2424 9.2424 13.1527 13.1527 k = 0.3400-0.1963 0.2776 ( 7652 PWs) bands (ev): -39.7818 -39.7818 -39.6054 -39.6054 -0.0654 -0.0654 0.7892 0.7892 1.0456 1.0456 1.3219 1.3219 1.5094 1.5094 1.6075 1.6075 5.0032 5.0032 5.6091 5.6091 5.6905 5.6905 8.9033 8.9033 9.2077 9.2077 13.2705 13.2705 k = 0.3500-0.2021 0.2858 ( 7636 PWs) bands (ev): -39.7818 -39.7818 -39.6054 -39.6054 -0.0216 -0.0216 0.7865 0.7865 1.0697 1.0697 1.3258 1.3258 1.5273 1.5273 1.6211 1.6211 4.8453 4.8453 5.5458 5.5458 5.6272 5.6272 8.8969 8.8969 9.1754 9.1754 13.3904 13.3904 k = 0.3600-0.2078 0.2939 ( 7636 PWs) bands (ev): -39.7817 -39.7817 -39.6055 -39.6055 0.0199 0.0199 0.7834 0.7834 1.0946 1.0946 1.3295 1.3295 1.5447 1.5447 1.6390 1.6390 4.6896 4.6896 5.4863 5.4863 5.5674 5.5674 8.8909 8.8909 9.1454 9.1454 13.5124 13.5124 k = 0.3700-0.2136 0.3021 ( 7640 PWs) bands (ev): -39.7817 -39.7817 -39.6055 -39.6055 0.0588 0.0588 0.7802 0.7802 1.1197 1.1197 1.3330 1.3330 1.5604 1.5604 1.6628 1.6628 4.5363 4.5363 5.4305 5.4305 5.5112 5.5112 8.8855 8.8855 9.1176 9.1176 13.6366 13.6366 k = 0.3800-0.2194 0.3103 ( 7636 PWs) bands (ev): -39.7816 -39.7816 -39.6056 -39.6056 0.0950 0.0950 0.7767 0.7767 1.1447 1.1447 1.3362 1.3362 1.5736 1.5736 1.6938 1.6938 4.3857 4.3857 5.3785 5.3785 5.4587 5.4587 8.8805 8.8805 9.0920 9.0920 13.7630 13.7630 k = 0.3900-0.2252 0.3184 ( 7648 PWs) bands (ev): -39.7816 -39.7816 -39.6056 -39.6056 0.1283 0.1283 0.7731 0.7731 1.1691 1.1691 1.3391 1.3391 1.5845 1.5845 1.7321 1.7321 4.2381 4.2381 5.3303 5.3303 5.4100 5.4100 8.8761 8.8761 9.0686 9.0686 13.8915 13.8915 k = 0.4000-0.2309 0.3266 ( 7640 PWs) bands (ev): -39.7815 -39.7815 -39.6057 -39.6057 0.1586 0.1586 0.7695 0.7695 1.1923 1.1923 1.3417 1.3417 1.5934 1.5934 1.7775 1.7775 4.0937 4.0938 5.2860 5.2860 5.3652 5.3652 8.8721 8.8721 9.0472 9.0472 14.0222 14.0222 k = 0.4100-0.2367 0.3348 ( 7652 PWs) bands (ev): -39.7815 -39.7815 -39.6057 -39.6057 0.1857 0.1857 0.7659 0.7659 1.2141 1.2141 1.3438 1.3438 1.6008 1.6008 1.8295 1.8295 3.9531 3.9531 5.2457 5.2457 5.3243 5.3243 8.8687 8.8687 9.0277 9.0277 14.1551 14.1551 k = 0.4200-0.2425 0.3429 ( 7648 PWs) bands (ev): -39.7814 -39.7814 -39.6057 -39.6057 0.2098 0.2098 0.7624 0.7624 1.2341 1.2341 1.3455 1.3455 1.6072 1.6072 1.8875 1.8875 3.8165 3.8165 5.2093 5.2093 5.2875 5.2875 8.8658 8.8658 9.0103 9.0103 14.2901 14.2901 k = 0.4300-0.2483 0.3511 ( 7640 PWs) bands (ev): -39.7814 -39.7814 -39.6058 -39.6058 0.2309 0.2309 0.7591 0.7591 1.2522 1.2522 1.3465 1.3465 1.6126 1.6126 1.9507 1.9507 3.6848 3.6848 5.1771 5.1771 5.2547 5.2547 8.8634 8.8634 8.9948 8.9948 14.4272 14.4272 k = 0.4400-0.2540 0.3593 ( 7652 PWs) bands (ev): -39.7814 -39.7814 -39.6058 -39.6058 0.2490 0.2490 0.7560 0.7560 1.2683 1.2683 1.3470 1.3470 1.6173 1.6173 2.0179 2.0179 3.5587 3.5587 5.1491 5.1491 5.2262 5.2262 8.8615 8.8615 8.9812 8.9812 14.5662 14.5662 k = 0.4500-0.2598 0.3674 ( 7652 PWs) bands (ev): -39.7813 -39.7813 -39.6058 -39.6058 0.2641 0.2641 0.7532 0.7532 1.2826 1.2826 1.3468 1.3468 1.6212 1.6212 2.0876 2.0876 3.4397 3.4397 5.1252 5.1252 5.2020 5.2020 8.8601 8.8601 8.9696 8.9696 14.7072 14.7072 k = 0.4600-0.2656 0.3756 ( 7652 PWs) bands (ev): -39.7813 -39.7813 -39.6058 -39.6058 0.2764 0.2764 0.7509 0.7509 1.2950 1.2950 1.3458 1.3458 1.6244 1.6244 2.1576 2.1576 3.3298 3.3298 5.1056 5.1056 5.1820 5.1820 8.8591 8.8591 8.9600 8.9600 14.8497 14.8497 k = 0.4700-0.2714 0.3838 ( 7644 PWs) bands (ev): -39.7813 -39.7813 -39.6059 -39.6059 0.2859 0.2859 0.7490 0.7490 1.3055 1.3055 1.3440 1.3440 1.6269 1.6269 2.2242 2.2242 3.2323 3.2323 5.0904 5.0904 5.1665 5.1665 8.8584 8.8584 8.9524 8.9524 14.9932 14.9932 k = 0.4800-0.2771 0.3919 ( 7644 PWs) bands (ev): -39.7813 -39.7813 -39.6059 -39.6059 0.2927 0.2927 0.7476 0.7476 1.3143 1.3143 1.3416 1.3416 1.6287 1.6287 2.2818 2.2818 3.1528 3.1528 5.0794 5.0794 5.1553 5.1553 8.8580 8.8580 8.9469 8.9469 15.1359 15.1359 k = 0.4900-0.2829 0.4001 ( 7640 PWs) bands (ev): -39.7813 -39.7813 -39.6059 -39.6059 0.2967 0.2967 0.7467 0.7467 1.3208 1.3208 1.3388 1.3388 1.6298 1.6298 2.3225 2.3225 3.0990 3.0990 5.0729 5.0729 5.1486 5.1486 8.8578 8.8578 8.9436 8.9436 15.2714 15.2714 k = 0.5000-0.2887 0.4082 ( 7640 PWs) bands (ev): -39.7813 -39.7813 -39.6059 -39.6059 0.2980 0.2980 0.7464 0.7464 1.3237 1.3237 1.3372 1.3372 1.6301 1.6301 2.3375 2.3375 3.0797 3.0797 5.0707 5.0707 5.1464 5.1464 8.8577 8.8577 8.9425 8.9425 15.3521 15.3521 k = 0.5000-0.2887 0.4082 ( 7640 PWs) bands (ev): -39.7813 -39.7813 -39.6059 -39.6059 0.2980 0.2980 0.7464 0.7464 1.3237 1.3237 1.3372 1.3372 1.6301 1.6301 2.3375 2.3375 3.0797 3.0797 5.0707 5.0707 5.1464 5.1464 8.8577 8.8577 8.9425 8.9425 15.3521 15.3521 k = 0.5000-0.2771 0.4164 ( 7640 PWs) bands (ev): -39.7813 -39.7813 -39.6059 -39.6059 0.2949 0.3011 0.7459 0.7478 1.3106 1.3290 1.3399 1.3411 1.6261 1.6331 2.3355 2.3429 3.0791 3.0791 5.0665 5.0714 5.1440 5.1452 8.8612 8.8633 8.9473 8.9478 15.3255 15.3264 k = 0.5000-0.2656 0.4246 ( 7644 PWs) bands (ev): -39.7813 -39.7813 -39.6059 -39.6059 0.2918 0.3041 0.7463 0.7501 1.2958 1.3266 1.3434 1.3517 1.6211 1.6350 2.3369 2.3515 3.0775 3.0775 5.0587 5.0689 5.1380 5.1408 8.8738 8.8780 8.9621 8.9632 15.2053 15.2082 k = 0.5000-0.2540 0.4327 ( 7638 PWs) bands (ev): -39.7813 -39.7813 -39.6059 -39.6059 0.2886 0.3070 0.7476 0.7533 1.2801 1.3231 1.3472 1.3622 1.6152 1.6359 2.3417 2.3633 3.0749 3.0749 5.0470 5.0631 5.1284 5.1335 8.8955 8.9017 8.9869 8.9886 15.0376 15.0414 k = 0.5000-0.2425 0.4409 ( 7644 PWs) bands (ev): -39.7813 -39.7813 -39.6059 -39.6059 0.2855 0.3098 0.7498 0.7572 1.2636 1.3195 1.3511 1.3716 1.6085 1.6357 2.3498 2.3780 3.0712 3.0712 5.0313 5.0540 5.1159 5.1239 8.9259 8.9340 9.0214 9.0236 14.8585 14.8631 k = 0.5000-0.2309 0.4491 ( 7640 PWs) bands (ev): -39.7813 -39.7813 -39.6059 -39.6059 0.2823 0.3126 0.7528 0.7620 1.2465 1.3158 1.3550 1.3797 1.6010 1.6345 2.3610 2.3954 3.0666 3.0667 5.0114 5.0412 5.1011 5.1127 8.9649 8.9748 9.0654 9.0682 14.6752 14.6807 k = 0.5000-0.2194 0.4572 ( 7628 PWs) bands (ev): -39.7813 -39.7813 -39.6059 -39.6059 0.2791 0.3152 0.7567 0.7676 1.2290 1.3121 1.3591 1.3866 1.5930 1.6324 2.3752 2.4152 3.0611 3.0613 4.9875 5.0243 5.0851 5.1002 9.0121 9.0237 9.1186 9.1220 14.4903 14.4965 k = 0.5000-0.2078 0.4654 ( 7628 PWs) bands (ev): -39.7813 -39.7813 -39.6059 -39.6059 0.2760 0.3178 0.7614 0.7738 1.2112 1.3085 1.3633 1.3923 1.5844 1.6294 2.3922 2.4371 3.0547 3.0551 4.9599 5.0031 5.0687 5.0870 9.0671 9.0803 9.1807 9.1845 14.3048 14.3118 k = 0.5000-0.1963 0.4736 ( 7626 PWs) bands (ev): -39.7813 -39.7813 -39.6059 -39.6059 0.2729 0.3202 0.7668 0.7807 1.1933 1.3051 1.3676 1.3967 1.5756 1.6255 2.4115 2.4610 3.0476 3.0483 4.9289 4.9776 5.0527 5.0732 9.1297 9.1443 9.2511 9.2555 14.1195 14.1273 k = 0.5000-0.1848 0.4817 ( 7630 PWs) bands (ev): -39.7813 -39.7813 -39.6059 -39.6059 0.2699 0.3226 0.7730 0.7882 1.1754 1.3017 1.3721 1.3999 1.5665 1.6209 2.4330 2.4863 3.0400 3.0409 4.8951 4.9485 5.0371 5.0591 9.1994 9.2151 9.3296 9.3343 13.9349 13.9436 k = 0.5000-0.1732 0.4899 ( 7626 PWs) bands (ev): -39.7813 -39.7813 -39.6059 -39.6059 0.2669 0.3248 0.7798 0.7961 1.1576 1.2986 1.3767 1.4020 1.5573 1.6155 2.4563 2.5130 3.0318 3.0332 4.8591 4.9165 5.0219 5.0450 9.2757 9.2923 9.4156 9.4207 13.7514 13.7610 k = 0.5000-0.1617 0.4981 ( 7622 PWs) bands (ev): -39.7813 -39.7813 -39.6059 -39.6059 0.2640 0.3269 0.7873 0.8044 1.1400 1.2958 1.3816 1.4029 1.5482 1.6094 2.4810 2.5405 3.0232 3.0251 4.8213 4.8823 5.0072 5.0309 9.3582 9.3755 9.5087 9.5140 13.5695 13.5800 k = 0.5000-0.1501 0.5062 ( 7622 PWs) bands (ev): -39.7813 -39.7813 -39.6059 -39.6059 0.2613 0.3289 0.7953 0.8131 1.1226 1.2934 1.3867 1.4028 1.5392 1.6027 2.5068 2.5687 3.0144 3.0169 4.7825 4.8468 4.9929 5.0171 9.4465 9.4643 9.6083 9.6138 13.3894 13.4009 k = 0.5000-0.1386 0.5144 ( 7618 PWs) bands (ev): -39.7813 -39.7813 -39.6059 -39.6059 0.2587 0.3308 0.8039 0.8219 1.1056 1.2914 1.3920 1.4015 1.5306 1.5955 2.5332 2.5972 3.0055 3.0087 4.7432 4.8105 4.9792 5.0038 9.5400 9.5582 9.7139 9.7195 13.2115 13.2239 k = 0.5000-0.1270 0.5226 ( 7618 PWs) bands (ev): -39.7813 -39.7813 -39.6059 -39.6059 0.2562 0.3326 0.8129 0.8307 1.0890 1.2899 1.3977 1.3992 1.5223 1.5877 2.5599 2.6255 2.9967 3.0007 4.7040 4.7742 4.9661 4.9910 9.6384 9.6567 9.8249 9.8304 13.0362 13.0495 k = 0.5000-0.1155 0.5307 ( 7618 PWs) bands (ev): -39.7813 -39.7813 -39.6059 -39.6059 0.2539 0.3342 0.8223 0.8395 1.0728 1.2890 1.3959 1.4036 1.5146 1.5795 2.5863 2.6534 2.9880 2.9930 4.6654 4.7383 4.9538 4.9789 9.7411 9.7593 9.9407 9.9460 12.8637 12.8781 k = 0.5000-0.1039 0.5389 ( 7616 PWs) bands (ev): -39.7813 -39.7813 -39.6059 -39.6059 0.2517 0.3357 0.8321 0.8480 1.0571 1.2888 1.3916 1.4098 1.5076 1.5708 2.6121 2.6805 2.9797 2.9857 4.6280 4.7035 4.9424 4.9677 9.8476 9.8654 10.0603 10.0654 12.6946 12.7100 k = 0.5000-0.0924 0.5471 ( 7612 PWs) bands (ev): -39.7813 -39.7813 -39.6059 -39.6059 0.2497 0.3370 0.8421 0.8562 1.0420 1.2894 1.3863 1.4164 1.5013 1.5619 2.6369 2.7064 2.9718 2.9791 4.5925 4.6704 4.9319 4.9574 9.9571 9.9743 10.1829 10.1876 12.5294 12.5459 k = 0.5000-0.0808 0.5552 ( 7610 PWs) bands (ev): -39.7813 -39.7813 -39.6059 -39.6059 0.2480 0.3382 0.8523 0.8638 1.0273 1.2908 1.3801 1.4233 1.4958 1.5527 2.6600 2.7306 2.9644 2.9731 4.5593 4.6395 4.9224 4.9481 10.0688 10.0853 10.3072 10.3114 12.3688 12.3865 k = 0.5000-0.0693 0.5634 ( 7612 PWs) bands (ev): -39.7813 -39.7813 -39.6059 -39.6059 0.2464 0.3393 0.8627 0.8708 1.0132 1.2930 1.3732 1.4305 1.4911 1.5433 2.6811 2.7528 2.9578 2.9680 4.5291 4.6113 4.9141 4.9399 10.1816 10.1970 10.4317 10.4351 12.2140 12.2329 k = 0.5000-0.0577 0.5715 ( 7616 PWs) bands (ev): -39.7813 -39.7813 -39.6059 -39.6059 0.2451 0.3402 0.8732 0.8770 0.9997 1.2962 1.3656 1.4380 1.4873 1.5338 2.6997 2.7725 2.9519 2.9637 4.5024 4.5864 4.9070 4.9329 10.2936 10.3077 10.5539 10.5563 12.0665 12.0868 k = 0.5000-0.0462 0.5797 ( 7608 PWs) bands (ev): -39.7813 -39.7813 -39.6059 -39.6059 0.2440 0.3409 0.8822 0.8837 0.9868 1.3002 1.3577 1.4458 1.4842 1.5243 2.7154 2.7893 2.9469 2.9604 4.4798 4.5653 4.9011 4.9270 10.4024 10.4148 10.6705 10.6716 11.9290 11.9506 k = 0.5000-0.0346 0.5879 ( 7600 PWs) bands (ev): -39.7813 -39.7813 -39.6059 -39.6058 0.2431 0.3415 0.8864 0.8940 0.9746 1.3051 1.3495 1.4537 1.4819 1.5150 2.7279 2.8028 2.9429 2.9579 4.4616 4.5484 4.8965 4.9225 10.5036 10.5139 10.7758 10.7764 11.8057 11.8288 k = 0.5000-0.0231 0.5960 ( 7596 PWs) bands (ev): -39.7812 -39.7812 -39.6059 -39.6058 0.2425 0.3419 0.8895 0.9038 0.9636 1.3107 1.3415 1.4614 1.4803 1.5063 2.7370 2.8128 2.9399 2.9562 4.4483 4.5360 4.8932 4.9192 10.5900 10.5979 10.8613 10.8640 11.7039 11.7283 k = 0.5000-0.0115 0.6042 ( 7608 PWs) bands (ev): -39.7813 -39.7813 -39.6059 -39.6059 0.2421 0.3422 0.8914 0.9119 0.9547 1.3168 1.3339 1.4682 1.4793 1.4989 2.7425 2.8189 2.9381 2.9552 4.4402 4.5284 4.8912 4.9172 10.6507 10.6565 10.9189 10.9234 11.6342 11.6596 k = 0.5000-0.0000 0.6124 ( 7612 PWs) bands (ev): -39.7813 -39.7813 -39.6059 -39.6059 0.2420 0.3422 0.8920 0.9155 0.9509 1.3210 1.3292 1.4713 1.4790 1.4955 2.7443 2.8210 2.9375 2.9549 4.4374 4.5259 4.8905 4.9166 10.6730 10.6779 10.9393 10.9447 11.6090 11.6348 k = 0.5000-0.0000 0.6124 ( 7612 PWs) bands (ev): -39.7813 -39.7813 -39.6059 -39.6059 0.2420 0.3422 0.8920 0.9155 0.9509 1.3210 1.3292 1.4713 1.4790 1.4955 2.7443 2.8210 2.9375 2.9549 4.4374 4.5259 4.8905 4.9166 10.6730 10.6779 10.9393 10.9447 11.6090 11.6348 k = 0.4931 0.0120 0.6124 ( 7604 PWs) bands (ev): -39.7813 -39.7813 -39.6059 -39.6058 0.2417 0.3418 0.8912 0.9141 0.9528 1.3186 1.3317 1.4692 1.4795 1.4972 2.7354 2.8113 2.9402 2.9684 4.4372 4.5250 4.8952 4.9227 10.6514 10.6582 10.9349 10.9449 11.6213 11.6469 k = 0.4861 0.0241 0.6124 ( 7596 PWs) bands (ev): -39.7813 -39.7813 -39.6059 -39.6058 0.2411 0.3407 0.8884 0.9114 0.9576 1.3144 1.3362 1.4643 1.4806 1.5013 2.7147 2.7889 2.9519 2.9923 4.4358 4.5216 4.9103 4.9415 10.5860 10.5930 10.9356 10.9485 11.6580 11.6828 k = 0.4792 0.0361 0.6124 ( 7600 PWs) bands (ev): -39.7813 -39.7813 -39.6059 -39.6058 0.2400 0.3388 0.8832 0.9092 0.9639 1.3103 1.3408 1.4586 1.4815 1.5065 2.6893 2.7615 2.9681 3.0163 4.4321 4.5150 4.9366 4.9725 10.4847 10.4909 10.9448 10.9567 11.7146 11.7385 k = 0.4722 0.0481 0.6124 ( 7608 PWs) bands (ev): -39.7813 -39.7813 -39.6059 -39.6058 0.2387 0.3363 0.8763 0.9079 0.9708 1.3064 1.3452 1.4530 1.4822 1.5124 2.6631 2.7331 2.9844 3.0377 4.4261 4.5054 4.9742 5.0143 10.3602 10.3678 10.9569 10.9663 11.7858 11.8087 k = 0.4653 0.0601 0.6124 ( 7603 PWs) bands (ev): -39.7813 -39.7813 -39.6058 -39.6058 0.2372 0.3333 0.8686 0.9072 0.9780 1.3030 1.3490 1.4477 1.4826 1.5185 2.6375 2.7053 2.9990 3.0556 4.4179 4.4935 5.0220 5.0652 10.2236 10.2337 10.9681 10.9754 11.8675 11.8893 k = 0.4583 0.0722 0.6124 ( 7608 PWs) bands (ev): -39.7813 -39.7813 -39.6058 -39.6058 0.2355 0.3299 0.8606 0.9067 0.9852 1.3002 1.3519 1.4433 1.4829 1.5246 2.6133 2.6788 3.0111 3.0702 4.4083 4.4803 5.0782 5.1233 10.0823 10.0947 10.9769 10.9832 11.9567 11.9774 k = 0.4514 0.0842 0.6124 ( 7610 PWs) bands (ev): -39.7813 -39.7813 -39.6058 -39.6058 0.2337 0.3261 0.8527 0.9062 0.9923 1.2979 1.3538 1.4398 1.4830 1.5308 2.5909 2.6538 3.0209 3.0816 4.3977 4.4664 5.1411 5.1869 9.9407 9.9548 10.9829 10.9899 12.0514 12.0710 k = 0.4444 0.0962 0.6124 ( 7608 PWs) bands (ev): -39.7813 -39.7813 -39.6058 -39.6058 0.2319 0.3221 0.8452 0.9057 0.9992 1.2962 1.3543 1.4374 1.4830 1.5367 2.5704 2.6307 3.0285 3.0903 4.3868 4.4525 5.2086 5.2540 9.8017 9.8172 10.9867 10.9950 12.1499 12.1685 k = 0.4375 0.1083 0.6124 ( 7622 PWs) bands (ev): -39.7813 -39.7813 -39.6058 -39.6058 0.2301 0.3180 0.8382 0.9051 1.0058 1.2951 1.3535 1.4362 1.4829 1.5425 2.5519 2.6094 3.0342 3.0967 4.3760 4.4392 5.2787 5.3228 9.6678 9.6840 10.9888 10.9988 12.2509 12.2685 k = 0.4306 0.1203 0.6124 ( 7617 PWs) bands (ev): -39.7813 -39.7813 -39.6058 -39.6058 0.2284 0.3139 0.8319 0.9045 1.0121 1.2944 1.3516 1.4360 1.4828 1.5478 2.5356 2.5901 3.0384 3.1013 4.3658 4.4266 5.3497 5.3915 9.5409 9.5574 10.9899 11.0015 12.3530 12.3696 k = 0.4236 0.1323 0.6124 ( 7628 PWs) bands (ev): -39.7813 -39.7813 -39.6058 -39.6058 0.2268 0.3099 0.8262 0.9039 1.0179 1.2942 1.3487 1.4366 1.4827 1.5528 2.5212 2.5729 3.0412 3.1043 4.3563 4.4152 5.4195 5.4584 9.4228 9.4392 10.9902 11.0031 12.4547 12.4703 k = 0.4167 0.1443 0.6124 ( 7612 PWs) bands (ev): -39.7813 -39.7813 -39.6058 -39.6058 0.2254 0.3062 0.8212 0.9033 1.0231 1.2945 1.3453 1.4376 1.4827 1.5573 2.5089 2.5578 3.0431 3.1063 4.3478 4.4050 5.4862 5.5214 9.3153 9.3311 10.9901 11.0041 12.5544 12.5688 k = 0.4097 0.1564 0.6124 ( 7611 PWs) bands (ev): -39.7813 -39.7813 -39.6058 -39.6058 0.2241 0.3028 0.8170 0.9028 1.0278 1.2951 1.3416 1.4388 1.4827 1.5612 2.4986 2.5448 3.0443 3.1074 4.3404 4.3962 5.5478 5.5788 9.2204 9.2351 10.9896 11.0047 12.6499 12.6630 k = 0.4028 0.1684 0.6124 ( 7608 PWs) bands (ev): -39.7813 -39.7813 -39.6058 -39.6058 0.2231 0.2999 0.8136 0.9023 1.0317 1.2958 1.3379 1.4400 1.4827 1.5645 2.4903 2.5341 3.0450 3.1080 4.3342 4.3889 5.6023 5.6286 9.1397 9.1530 10.9890 11.0049 12.7382 12.7497 k = 0.3958 0.1804 0.6124 ( 7609 PWs) bands (ev): -39.7813 -39.7813 -39.6058 -39.6058 0.2223 0.2975 0.8109 0.9019 1.0349 1.2968 1.3347 1.4411 1.4828 1.5672 2.4838 2.5256 3.0453 3.1082 4.3293 4.3832 5.6478 5.6690 9.0749 9.0866 10.9885 11.0049 12.8157 12.8252 k = 0.3889 0.1925 0.6124 ( 7612 PWs) bands (ev): -39.7813 -39.7813 -39.6058 -39.6058 0.2217 0.2957 0.8090 0.9016 1.0372 1.2976 1.3320 1.4418 1.4829 1.5691 2.4793 2.5196 3.0455 3.1083 4.3258 4.3791 5.6824 5.6986 9.0276 9.0375 10.9880 11.0049 12.8775 12.8845 k = 0.3819 0.2045 0.6124 ( 7618 PWs) bands (ev): -39.7813 -39.7813 -39.6058 -39.6058 0.2213 0.2947 0.8078 0.9014 1.0386 1.2982 1.3303 1.4423 1.4829 1.5702 2.4766 2.5159 3.0455 3.1083 4.3237 4.3766 5.7045 5.7162 8.9988 9.0073 10.9877 11.0048 12.9185 12.9223 k = 0.3750 0.2165 0.6124 ( 7618 PWs) bands (ev): -39.7813 -39.7813 -39.6058 -39.6058 0.2212 0.2943 0.8074 0.9013 1.0391 1.2985 1.3297 1.4425 1.4830 1.5706 2.4757 2.5146 3.0455 3.1083 4.3230 4.3758 5.7122 5.7219 8.9892 8.9971 10.9876 11.0048 12.9335 12.9346 k = 0.3750 0.2165 0.6124 ( 7618 PWs) bands (ev): -39.7813 -39.7813 -39.6058 -39.6058 0.2212 0.2943 0.8074 0.9013 1.0391 1.2985 1.3297 1.4425 1.4830 1.5706 2.4757 2.5146 3.0455 3.1083 4.3230 4.3758 5.7122 5.7219 8.9892 8.9971 10.9876 11.0048 12.9335 12.9346 k = 0.3679 0.2124 0.6008 ( 7622 PWs) bands (ev): -39.7813 -39.7813 -39.6058 -39.6058 0.2128 0.2871 0.8113 0.9133 1.0252 1.2967 1.3282 1.4431 1.4754 1.5642 2.4392 2.4816 3.0817 3.1465 4.3061 4.3572 5.7789 5.7890 9.0012 9.0096 11.1721 11.1883 12.8098 12.8109 k = 0.3608 0.2083 0.5893 ( 7602 PWs) bands (ev): -39.7813 -39.7813 -39.6058 -39.6058 0.2036 0.2787 0.8147 0.9244 1.0120 1.2947 1.3268 1.4422 1.4693 1.5578 2.3947 2.4421 3.1252 3.1903 4.2967 4.3460 5.8487 5.8591 9.0140 9.0229 11.3575 11.3728 12.6889 12.6901 k = 0.3538 0.2043 0.5777 ( 7602 PWs) bands (ev): -39.7813 -39.7813 -39.6058 -39.6058 0.1934 0.2690 0.8179 0.9342 0.9995 1.2925 1.3256 1.4391 1.4655 1.5514 2.3439 2.3977 3.1751 3.2390 4.2947 4.3422 5.9213 5.9320 9.0278 9.0372 11.5427 11.5568 12.5710 12.5722 k = 0.3467 0.2002 0.5662 ( 7610 PWs) bands (ev): -39.7814 -39.7814 -39.6058 -39.6058 0.1821 0.2580 0.8206 0.9425 0.9880 1.2899 1.3245 1.4338 1.4640 1.5452 2.2884 2.3495 3.2302 3.2919 4.2998 4.3457 5.9968 6.0078 9.0424 9.0523 11.7260 11.7388 12.4561 12.4573 k = 0.3396 0.1961 0.5546 ( 7616 PWs) bands (ev): -39.7814 -39.7814 -39.6058 -39.6057 0.1698 0.2456 0.8230 0.9483 0.9780 1.2869 1.3237 1.4271 1.4637 1.5390 2.2297 2.2987 3.2901 3.3486 4.3119 4.3565 6.0750 6.0864 9.0580 9.0684 11.9052 11.9164 12.3441 12.3453 k = 0.3325 0.1920 0.5430 ( 7630 PWs) bands (ev): -39.7814 -39.7814 -39.6057 -39.6057 0.1563 0.2317 0.8251 0.9497 0.9714 1.2835 1.3231 1.4197 1.4638 1.5329 2.1691 2.2462 3.3542 3.4088 4.3306 4.3742 6.1559 6.1676 9.0745 9.0855 12.0769 12.0866 12.2353 12.2362 k = 0.3255 0.1879 0.5315 ( 7614 PWs) bands (ev): -39.7814 -39.7814 -39.6057 -39.6057 0.1414 0.2162 0.8268 0.9449 0.9698 1.2796 1.3228 1.4120 1.4639 1.5268 2.1076 2.1931 3.4220 3.4723 4.3557 4.3986 6.2394 6.2513 9.0920 9.1035 12.1272 12.1299 12.2395 12.2450 k = 0.3184 0.1838 0.5199 ( 7610 PWs) bands (ev): -39.7815 -39.7815 -39.6057 -39.6057 0.1252 0.1989 0.8282 0.9369 0.9702 1.2750 1.3228 1.4042 1.4634 1.5207 2.0464 2.1401 3.4936 3.5389 4.3869 4.4294 6.3253 6.3376 9.1106 9.1225 12.0244 12.0266 12.3820 12.3852 k = 0.3113 0.1797 0.5084 ( 7600 PWs) bands (ev): -39.7815 -39.7815 -39.6057 -39.6056 0.1075 0.1797 0.8293 0.9281 0.9702 1.2697 1.3229 1.3964 1.4622 1.5145 1.9865 2.0879 3.5685 3.6085 4.4239 4.4665 6.4137 6.4263 9.1301 9.1426 11.9239 11.9261 12.4981 12.4990 k = 0.3042 0.1757 0.4968 ( 7606 PWs) bands (ev): -39.7815 -39.7815 -39.6056 -39.6056 0.0883 0.1587 0.8301 0.9193 0.9688 1.2634 1.3233 1.3886 1.4600 1.5082 1.9287 2.0372 3.6469 3.6812 4.4664 4.5093 6.5045 6.5174 9.1507 9.1637 11.8260 11.8284 12.5283 12.5402 k = 0.2972 0.1716 0.4853 ( 7610 PWs) bands (ev): -39.7816 -39.7816 -39.6056 -39.6056 0.0673 0.1355 0.8306 0.9107 0.9660 1.2560 1.3239 1.3809 1.4566 1.5016 1.8740 1.9885 3.7285 3.7570 4.5142 4.5578 6.5975 6.6108 9.1723 9.1859 11.7309 11.7334 12.4036 12.4151 k = 0.2901 0.1675 0.4737 ( 7620 PWs) bands (ev): -39.7816 -39.7816 -39.6056 -39.6056 0.0446 0.1103 0.8309 0.9025 0.9618 1.2471 1.3246 1.3733 1.4519 1.4949 1.8233 1.9423 3.8134 3.8359 4.5670 4.6117 6.6927 6.7063 9.1950 9.2092 11.6384 11.6412 12.2772 12.2891 k = 0.2830 0.1634 0.4622 ( 7624 PWs) bands (ev): -39.7816 -39.7816 -39.6055 -39.6055 0.0201 0.0828 0.8310 0.8947 0.9562 1.2365 1.3254 1.3658 1.4459 1.4878 1.7774 1.8989 3.9015 3.9180 4.6246 4.6705 6.7900 6.8040 9.2187 9.2335 11.5485 11.5517 12.1526 12.1650 k = 0.2759 0.1593 0.4506 ( 7612 PWs) bands (ev): -39.7817 -39.7817 -39.6055 -39.6055 -0.0064 0.0532 0.8309 0.8873 0.9495 1.2237 1.3262 1.3584 1.4387 1.4804 1.7367 1.8585 3.9928 4.0032 4.6868 4.7342 6.8893 6.9037 9.2435 9.2589 11.4611 11.4647 12.0301 12.0433 k = 0.2689 0.1552 0.4391 ( 7622 PWs) bands (ev): -39.7817 -39.7817 -39.6055 -39.6055 -0.0347 0.0213 0.8306 0.8802 0.9418 1.2085 1.3269 1.3512 1.4306 1.4726 1.7015 1.8213 4.0873 4.0917 4.7534 4.8024 6.9906 7.0054 9.2694 9.2853 11.3760 11.3802 11.9101 11.9241 k = 0.2618 0.1511 0.4275 ( 7618 PWs) bands (ev): -39.7818 -39.7818 -39.6054 -39.6054 -0.0651 -0.0127 0.8301 0.8734 0.9333 1.1907 1.3275 1.3440 1.4222 1.4646 1.6718 1.7874 4.1834 4.1850 4.8242 4.8749 7.0936 7.1088 9.2963 9.3129 11.2932 11.2980 11.7929 11.8079 k = 0.2547 0.1471 0.4160 ( 7624 PWs) bands (ev): -39.7818 -39.7818 -39.6054 -39.6054 -0.0973 -0.0488 0.8294 0.8670 0.9243 1.1705 1.3279 1.3369 1.4140 1.4564 1.6470 1.7566 4.2784 4.2859 4.8990 4.9516 7.1983 7.2140 9.3242 9.3415 11.2124 11.2180 11.6788 11.6949 k = 0.2476 0.1430 0.4044 ( 7628 PWs) bands (ev): -39.7819 -39.7819 -39.6053 -39.6053 -0.1314 -0.0869 0.8286 0.8609 0.9150 1.1481 1.3281 1.3299 1.4067 1.4481 1.6265 1.7289 4.3768 4.3899 4.9776 5.0321 7.3046 7.3208 9.3532 9.3711 11.1333 11.1398 11.5682 11.5857 k = 0.2406 0.1389 0.3928 ( 7630 PWs) bands (ev): -39.7819 -39.7819 -39.6053 -39.6053 -0.1673 -0.1267 0.8276 0.8551 0.9056 1.1243 1.3229 1.3277 1.4005 1.4400 1.6094 1.7040 4.4785 4.4971 5.0599 5.1164 7.4124 7.4290 9.3831 9.4017 11.0556 11.0632 11.4616 11.4806 k = 0.2335 0.1348 0.3813 ( 7634 PWs) bands (ev): -39.7820 -39.7820 -39.6052 -39.6052 -0.2049 -0.1682 0.8265 0.8495 0.8962 1.0996 1.3160 1.3268 1.3956 1.4323 1.5950 1.6818 4.5835 4.6074 5.1458 5.2043 7.5214 7.5386 9.4140 9.4333 10.9789 10.9876 11.3597 11.3804 k = 0.2264 0.1307 0.3697 ( 7638 PWs) bands (ev): -39.7821 -39.7821 -39.6052 -39.6052 -0.2440 -0.2110 0.8252 0.8442 0.8871 1.0747 1.3091 1.3251 1.3920 1.4253 1.5826 1.6618 4.6918 4.7208 5.2351 5.2955 7.6315 7.6493 9.4457 9.4658 10.9027 10.9126 11.2631 11.2857 k = 0.2193 0.1266 0.3582 ( 7624 PWs) bands (ev): -39.7821 -39.7821 -39.6051 -39.6051 -0.2843 -0.2550 0.8239 0.8390 0.8782 1.0502 1.3022 1.3225 1.3897 1.4193 1.5718 1.6440 4.8034 4.8372 5.3276 5.3900 7.7425 7.7609 9.4783 9.4991 10.8263 10.8375 11.1729 11.1973 k = 0.2123 0.1226 0.3466 ( 7636 PWs) bands (ev): -39.7822 -39.7822 -39.6051 -39.6051 -0.3258 -0.2999 0.8224 0.8340 0.8698 1.0264 1.2953 1.3189 1.3884 1.4145 1.5622 1.6280 4.9181 4.9567 5.4233 5.4876 7.8541 7.8732 9.5116 9.5332 10.7495 10.7617 11.0897 11.1158 k = 0.2052 0.1185 0.3351 ( 7630 PWs) bands (ev): -39.7822 -39.7822 -39.6050 -39.6050 -0.3682 -0.3454 0.8208 0.8292 0.8619 1.0036 1.2886 1.3142 1.3882 1.4110 1.5535 1.6135 5.0361 5.0790 5.5221 5.5882 7.9661 7.9859 9.5455 9.5679 10.6718 10.6848 11.0144 11.0420 k = 0.1981 0.1144 0.3235 ( 7630 PWs) bands (ev): -39.7823 -39.7823 -39.6050 -39.6050 -0.4113 -0.3914 0.8190 0.8245 0.8544 0.9821 1.2819 1.3084 1.3888 1.4088 1.5456 1.6004 5.1571 5.2043 5.6238 5.6917 8.0781 8.0987 9.5799 9.6033 10.5932 10.6066 10.9474 10.9761 k = 0.1910 0.1103 0.3120 ( 7634 PWs) bands (ev): -39.7824 -39.7824 -39.6049 -39.6049 -0.4547 -0.4375 0.8172 0.8200 0.8475 0.9620 1.2753 1.3019 1.3901 1.4078 1.5382 1.5885 5.2812 5.3324 5.7283 5.7980 8.1897 8.2111 9.6146 9.6391 10.5140 10.5275 10.8889 10.9184 k = 0.1840 0.1062 0.3004 ( 7628 PWs) bands (ev): -39.7824 -39.7824 -39.6049 -39.6049 -0.4984 -0.4835 0.8153 0.8156 0.8411 0.9432 1.2687 1.2947 1.3920 1.4079 1.5314 1.5777 5.4083 5.4633 5.8356 5.9069 8.3004 8.3227 9.6496 9.6751 10.4345 10.4478 10.8388 10.8689 k = 0.1769 0.1021 0.2889 ( 7634 PWs) bands (ev): -39.7825 -39.7825 -39.6048 -39.6048 -0.5420 -0.5292 0.8113 0.8133 0.8352 0.9258 1.2624 1.2870 1.3944 1.4089 1.5251 1.5678 5.5382 5.5968 5.9456 6.0185 8.4097 8.4329 9.6844 9.7113 10.3553 10.3685 10.7971 10.8276 k = 0.1698 0.0980 0.2773 ( 7638 PWs) bands (ev): -39.7826 -39.7826 -39.6047 -39.6047 -0.5853 -0.5744 0.8072 0.8111 0.8297 0.9098 1.2561 1.2792 1.3973 1.4107 1.5192 1.5586 5.6709 5.7329 6.0581 6.1325 8.5168 8.5410 9.7190 9.7474 10.2769 10.2901 10.7637 10.7947 k = 0.1627 0.0940 0.2657 ( 7638 PWs) bands (ev): -39.7827 -39.7827 -39.6047 -39.6047 -0.6282 -0.6189 0.8033 0.8090 0.8247 0.8950 1.2500 1.2712 1.4006 1.4129 1.5138 1.5503 5.8063 5.8715 6.1731 6.2490 8.6210 8.6462 9.7527 9.7832 10.2000 10.2135 10.7390 10.7703 k = 0.1557 0.0899 0.2542 ( 7634 PWs) bands (ev): -39.7827 -39.7827 -39.6046 -39.6046 -0.6704 -0.6626 0.7995 0.8067 0.8199 0.8814 1.2440 1.2633 1.4041 1.4157 1.5087 1.5426 5.9442 6.0125 6.2905 6.3678 8.7213 8.7476 9.7851 9.8184 10.1250 10.1397 10.7231 10.7549 k = 0.1486 0.0858 0.2426 ( 7638 PWs) bands (ev): -39.7828 -39.7828 -39.6046 -39.6046 -0.7117 -0.7051 0.7960 0.8044 0.8155 0.8690 1.2382 1.2555 1.4079 1.4187 1.5041 1.5355 6.0847 6.1558 6.4103 6.4889 8.8167 8.8439 9.8149 9.8528 10.0524 10.0699 10.7169 10.7490 k = 0.1415 0.0817 0.2311 ( 7637 PWs) bands (ev): -39.7829 -39.7829 -39.6045 -39.6045 -0.7520 -0.7465 0.7926 0.8020 0.8113 0.8576 1.2325 1.2479 1.4120 1.4221 1.4998 1.5290 6.2275 6.3013 6.5323 6.6122 8.9060 8.9341 9.8390 9.8860 9.9825 10.0074 10.7209 10.7533 k = 0.1344 0.0776 0.2195 ( 7645 PWs) bands (ev): -39.7829 -39.7829 -39.6045 -39.6045 -0.7911 -0.7866 0.7895 0.7996 0.8073 0.8471 1.2271 1.2406 1.4161 1.4256 1.4959 1.5230 6.3725 6.4489 6.6565 6.7376 8.9880 9.0168 9.8470 9.9134 9.9202 9.9624 10.7361 10.7685 k = 0.1274 0.0735 0.2080 ( 7645 PWs) bands (ev): -39.7830 -39.7830 -39.6044 -39.6044 -0.8289 -0.8252 0.7866 0.7972 0.8035 0.8376 1.2218 1.2335 1.4204 1.4293 1.4923 1.5175 6.5196 6.5984 6.7827 6.8650 9.0616 9.0909 9.8220 9.8524 9.9478 9.9521 10.7631 10.7953 k = 0.1203 0.0694 0.1964 ( 7651 PWs) bands (ev): -39.7831 -39.7831 -39.6044 -39.6043 -0.8652 -0.8622 0.7838 0.7948 0.7999 0.8288 1.2168 1.2268 1.4247 1.4331 1.4891 1.5125 6.6686 6.7498 6.9109 6.9943 9.1256 9.1552 9.7756 9.7934 9.9647 9.9753 10.8023 10.8342 k = 0.1132 0.0654 0.1849 ( 7645 PWs) bands (ev): -39.7831 -39.7831 -39.6043 -39.6043 -0.9000 -0.8976 0.7813 0.7924 0.7964 0.8209 1.2120 1.2205 1.4291 1.4369 1.4863 1.5079 6.8195 6.9027 7.0410 7.1254 9.1793 9.2087 9.7257 9.7389 9.9826 10.0000 10.8535 10.8850 k = 0.1061 0.0613 0.1733 ( 7639 PWs) bands (ev): -39.7832 -39.7832 -39.6042 -39.6042 -0.9331 -0.9312 0.7790 0.7900 0.7931 0.8136 1.2074 1.2145 1.4334 1.4407 1.4838 1.5037 6.9719 7.0572 7.1730 7.2582 9.2219 9.2509 9.6785 9.6897 9.9997 10.0216 10.9131 10.9438 k = 0.0991 0.0572 0.1618 ( 7639 PWs) bands (ev): -39.7832 -39.7832 -39.6042 -39.6042 -0.9645 -0.9629 0.7769 0.7876 0.7899 0.8070 1.2031 1.2089 1.4377 1.4445 1.4815 1.4999 7.1259 7.2129 7.3065 7.3926 9.2532 9.2811 9.6366 9.6467 10.0141 10.0394 10.8867 10.9037 k = 0.0920 0.0531 0.1502 ( 7639 PWs) bands (ev): -39.7833 -39.7833 -39.6041 -39.6041 -0.9940 -0.9928 0.7749 0.7853 0.7869 0.8010 1.1990 1.2037 1.4419 1.4481 1.4796 1.4965 7.2811 7.3697 7.4417 7.5285 9.2729 9.2991 9.6016 9.6107 10.0245 10.0530 10.8059 10.8312 k = 0.0849 0.0490 0.1387 ( 7635 PWs) bands (ev): -39.7833 -39.7833 -39.6041 -39.6041 -1.0216 -1.0207 0.7732 0.7830 0.7840 0.7956 1.1952 1.1990 1.4459 1.4517 1.4780 1.4933 7.4373 7.5274 7.5782 7.6657 9.2814 9.3052 9.5747 9.5824 10.0301 10.0615 10.7202 10.7516 k = 0.0778 0.0449 0.1271 ( 7635 PWs) bands (ev): -39.7834 -39.7834 -39.6041 -39.6041 -1.0472 -1.0465 0.7716 0.7809 0.7813 0.7907 1.1917 1.1946 1.4498 1.4550 1.4766 1.4905 7.5942 7.6856 7.7161 7.8040 9.2798 9.3005 9.5559 9.5618 10.0300 10.0644 10.6298 10.6667 k = 0.0708 0.0409 0.1155 ( 7651 PWs) bands (ev): -39.7834 -39.7834 -39.6040 -39.6040 -1.0708 -1.0703 0.7702 0.7788 0.7788 0.7864 1.1885 1.1907 1.4535 1.4582 1.4754 1.4880 7.7516 7.8436 7.8554 7.9433 9.2702 9.2875 9.5438 9.5478 10.0232 10.0608 10.5345 10.5765 k = 0.0637 0.0368 0.1040 ( 7659 PWs) bands (ev): -39.7835 -39.7835 -39.6040 -39.6040 -1.0923 -1.0919 0.7689 0.7764 0.7769 0.7825 1.1856 1.1872 1.4569 1.4612 1.4745 1.4857 7.9092 7.9932 8.0040 8.0833 9.2553 9.2695 9.5363 9.5388 10.0085 10.0496 10.4344 10.4810 k = 0.0566 0.0327 0.0924 ( 7667 PWs) bands (ev): -39.7835 -39.7835 -39.6040 -39.6040 -1.1116 -1.1113 0.7679 0.7743 0.7750 0.7790 1.1829 1.1840 1.4601 1.4639 1.4738 1.4836 8.0663 8.1338 8.1613 8.2236 9.2378 9.2492 9.5316 9.5329 9.9849 10.0296 10.3295 10.3803 k = 0.0495 0.0286 0.0809 ( 7671 PWs) bands (ev): -39.7836 -39.7836 -39.6039 -39.6039 -1.1287 -1.1286 0.7670 0.7723 0.7733 0.7760 1.1806 1.1813 1.4630 1.4663 1.4733 1.4818 8.2225 8.2742 8.3180 8.3640 9.2196 9.2288 9.5283 9.5290 9.9510 9.9994 10.2201 10.2747 k = 0.0425 0.0245 0.0693 ( 7687 PWs) bands (ev): -39.7836 -39.7836 -39.6039 -39.6039 -1.1437 -1.1436 0.7663 0.7706 0.7717 0.7735 1.1785 1.1790 1.4656 1.4684 1.4729 1.4802 8.3770 8.4141 8.4729 8.5040 9.2023 9.2096 9.5257 9.5262 9.9057 9.9579 10.1069 10.1644 k = 0.0354 0.0204 0.0578 ( 7671 PWs) bands (ev): -39.7836 -39.7836 -39.6039 -39.6039 -1.1563 -1.1563 0.7658 0.7691 0.7703 0.7714 1.1768 1.1770 1.4678 1.4702 1.4727 1.4787 8.5287 8.5528 8.6248 8.6428 9.1868 9.1925 9.5233 9.5239 9.8486 9.9038 9.9908 10.0503 k = 0.0283 0.0163 0.0462 ( 7671 PWs) bands (ev): -39.7836 -39.7836 -39.6039 -39.6039 -1.1667 -1.1667 0.7655 0.7679 0.7689 0.7697 1.1753 1.1755 1.4697 1.4717 1.4727 1.4775 8.6758 8.6891 8.7721 8.7794 9.1739 9.1782 9.5208 9.5219 9.7802 9.8369 9.8735 9.9333 k = 0.0212 0.0123 0.0347 ( 7671 PWs) bands (ev): -39.7837 -39.7837 -39.6039 -39.6039 -1.1749 -1.1749 0.7653 0.7670 0.7678 0.7683 1.1742 1.1743 1.4713 1.4728 1.4728 1.4764 8.8155 8.8208 8.9116 8.9119 9.1644 9.1676 9.5176 9.5195 9.7034 9.7529 9.7634 9.8153 k = 0.0142 0.0082 0.0231 ( 7671 PWs) bands (ev): -39.7837 -39.7837 -39.6039 -39.6039 -1.1807 -1.1807 0.7653 0.7663 0.7669 0.7673 1.1734 1.1734 1.4724 1.4731 1.4735 1.4754 8.9414 8.9421 9.0343 9.0381 9.1598 9.1618 9.5116 9.5148 9.6264 9.6484 9.6756 9.7005 k = 0.0071 0.0041 0.0116 ( 7659 PWs) bands (ev): -39.7837 -39.7837 -39.6038 -39.6038 -1.1842 -1.1842 0.7655 0.7660 0.7662 0.7665 1.1729 1.1729 1.4732 1.4736 1.4739 1.4746 9.0374 9.0376 9.1331 9.1354 9.1638 9.1650 9.4974 9.5004 9.5702 9.5732 9.5948 9.6006 k = 0.0000 0.0000 0.0000 ( 7631 PWs) bands (ev): -39.7837 -39.7837 -39.6038 -39.6038 -1.1853 -1.1853 0.7659 0.7659 0.7659 0.7659 1.1727 1.1727 1.4739 1.4739 1.4739 1.4739 9.0738 9.0738 9.1737 9.1737 9.1737 9.1737 9.4852 9.4852 9.5535 9.5535 9.5535 9.5535 k = 0.0000 0.0000 0.0000 ( 7631 PWs) bands (ev): -39.7837 -39.7837 -39.6038 -39.6038 -1.1853 -1.1853 0.7659 0.7659 0.7659 0.7659 1.1727 1.1727 1.4739 1.4739 1.4739 1.4739 9.0738 9.0738 9.1737 9.1737 9.1737 9.1737 9.4852 9.4852 9.5535 9.5535 9.5535 9.5535 k = 0.0116 0.0067 0.0047 ( 7661 PWs) bands (ev): -39.7837 -39.7837 -39.6038 -39.6038 -1.1841 -1.1841 0.7655 0.7661 0.7661 0.7665 1.1729 1.1729 1.4732 1.4737 1.4737 1.4746 9.0360 9.0360 9.1401 9.1401 9.1576 9.1597 9.5016 9.5016 9.5698 9.5702 9.5980 9.5980 k = 0.0233 0.0134 0.0095 ( 7673 PWs) bands (ev): -39.7837 -39.7837 -39.6039 -39.6039 -1.1806 -1.1806 0.7653 0.7666 0.7666 0.7673 1.1734 1.1734 1.4727 1.4731 1.4731 1.4754 8.9256 8.9256 9.0835 9.0835 9.1176 9.1214 9.5444 9.5444 9.6128 9.6139 9.6904 9.6904 k = 0.0349 0.0201 0.0142 ( 7673 PWs) bands (ev): -39.7837 -39.7837 -39.6039 -39.6039 -1.1747 -1.1747 0.7652 0.7675 0.7675 0.7683 1.1742 1.1742 1.4723 1.4723 1.4723 1.4764 8.7745 8.7745 9.0248 9.0248 9.0641 9.0693 9.6027 9.6027 9.6717 9.6741 9.7881 9.7881 k = 0.0465 0.0269 0.0190 ( 7679 PWs) bands (ev): -39.7836 -39.7836 -39.6039 -39.6039 -1.1665 -1.1665 0.7653 0.7687 0.7687 0.7694 1.1754 1.1754 1.4710 1.4710 1.4720 1.4775 8.6057 8.6057 8.9635 8.9635 9.0043 9.0106 9.6692 9.6692 9.7393 9.7432 9.8754 9.8754 k = 0.0581 0.0336 0.0237 ( 7685 PWs) bands (ev): -39.7836 -39.7836 -39.6039 -39.6039 -1.1560 -1.1560 0.7656 0.7702 0.7702 0.7707 1.1769 1.1769 1.4695 1.4695 1.4719 1.4786 8.4276 8.4276 8.9008 8.9008 8.9418 8.9492 9.7396 9.7396 9.8114 9.8170 9.9469 9.9469 k = 0.0698 0.0403 0.0285 ( 7682 PWs) bands (ev): -39.7836 -39.7836 -39.6039 -39.6039 -1.1431 -1.1431 0.7661 0.7720 0.7721 0.7721 1.1788 1.1788 1.4676 1.4676 1.4719 1.4799 8.2441 8.2441 8.8380 8.8380 8.8787 8.8869 9.8112 9.8112 9.8855 9.8930 10.0019 10.0019 k = 0.0814 0.0470 0.0332 ( 7676 PWs) bands (ev): -39.7836 -39.7836 -39.6039 -39.6039 -1.1280 -1.1280 0.7667 0.7736 0.7744 0.7744 1.1810 1.1810 1.4654 1.4654 1.4721 1.4813 8.0572 8.0572 8.7756 8.7756 8.8159 8.8250 9.8819 9.8819 9.9596 9.9692 10.0418 10.0418 k = 0.0930 0.0537 0.0380 ( 7670 PWs) bands (ev): -39.7835 -39.7835 -39.6040 -39.6040 -1.1106 -1.1106 0.7674 0.7752 0.7770 0.7770 1.1836 1.1836 1.4630 1.4630 1.4724 1.4829 7.8681 7.8681 8.7143 8.7143 8.7541 8.7639 9.9486 9.9486 10.0319 10.0439 10.0702 10.0702 k = 0.1047 0.0604 0.0427 ( 7658 PWs) bands (ev): -39.7835 -39.7835 -39.6040 -39.6040 -1.0911 -1.0911 0.7682 0.7769 0.7800 0.7800 1.1865 1.1865 1.4603 1.4603 1.4730 1.4846 7.6779 7.6779 8.6543 8.6543 8.6936 8.7042 10.0060 10.0060 10.0931 10.0931 10.1007 10.1152 k = 0.1163 0.0671 0.0475 ( 7646 PWs) bands (ev): -39.7834 -39.7834 -39.6040 -39.6040 -1.0694 -1.0694 0.7692 0.7786 0.7835 0.7835 1.1897 1.1897 1.4575 1.4575 1.4737 1.4864 7.4871 7.4871 8.5958 8.5958 8.6347 8.6460 10.0431 10.0431 10.1221 10.1221 10.1638 10.1808 k = 0.1279 0.0738 0.0522 ( 7646 PWs) bands (ev): -39.7834 -39.7834 -39.6041 -39.6041 -1.0456 -1.0456 0.7702 0.7804 0.7874 0.7874 1.1933 1.1933 1.4545 1.4545 1.4747 1.4884 7.2964 7.2964 8.5389 8.5389 8.5776 8.5895 10.0555 10.0555 10.1610 10.1610 10.2187 10.2382 k = 0.1395 0.0806 0.0570 ( 7646 PWs) bands (ev): -39.7833 -39.7833 -39.6041 -39.6041 -1.0198 -1.0198 0.7713 0.7822 0.7918 0.7918 1.1971 1.1971 1.4514 1.4514 1.4760 1.4906 7.1060 7.1060 8.4838 8.4838 8.5224 8.5348 10.0541 10.0541 10.1982 10.1982 10.2627 10.2844 k = 0.1512 0.0873 0.0617 ( 7646 PWs) bands (ev): -39.7833 -39.7833 -39.6042 -39.6042 -0.9920 -0.9920 0.7724 0.7840 0.7967 0.7967 1.2013 1.2013 1.4482 1.4482 1.4774 1.4929 6.9164 6.9164 8.4304 8.4304 8.4690 8.4819 10.0459 10.0459 10.2254 10.2254 10.2932 10.3163 k = 0.1628 0.0940 0.0665 ( 7640 PWs) bands (ev): -39.7832 -39.7832 -39.6042 -39.6042 -0.9623 -0.9623 0.7735 0.7857 0.8021 0.8021 1.2058 1.2058 1.4450 1.4450 1.4792 1.4955 6.7278 6.7278 8.3788 8.3788 8.4176 8.4311 10.0339 10.0339 10.2393 10.2393 10.3082 10.3319 k = 0.1744 0.1007 0.0712 ( 7646 PWs) bands (ev): -39.7832 -39.7832 -39.6042 -39.6042 -0.9309 -0.9309 0.7747 0.7874 0.8082 0.8082 1.2104 1.2104 1.4420 1.4420 1.4812 1.4982 6.5405 6.5405 8.3291 8.3291 8.3683 8.3821 10.0193 10.0193 10.2384 10.2384 10.3069 10.3301 k = 0.1860 0.1074 0.0760 ( 7646 PWs) bands (ev): -39.7831 -39.7831 -39.6043 -39.6043 -0.8978 -0.8978 0.7758 0.7890 0.8150 0.8150 1.2153 1.2153 1.4391 1.4391 1.4836 1.5012 6.3547 6.3547 8.2812 8.2812 8.3209 8.3352 10.0030 10.0030 10.2232 10.2232 10.2901 10.3118 k = 0.1977 0.1141 0.0807 ( 7645 PWs) bands (ev): -39.7831 -39.7831 -39.6043 -39.6043 -0.8632 -0.8632 0.7769 0.7904 0.8226 0.8226 1.2203 1.2203 1.4364 1.4364 1.4862 1.5043 6.1706 6.1706 8.2351 8.2351 8.2757 8.2902 9.9857 9.9857 10.1953 10.1953 10.2596 10.2793 k = 0.2093 0.1208 0.0854 ( 7636 PWs) bands (ev): -39.7830 -39.7830 -39.6044 -39.6044 -0.8271 -0.8271 0.7780 0.7918 0.8310 0.8310 1.2254 1.2254 1.4341 1.4341 1.4891 1.5076 5.9882 5.9882 8.1909 8.1909 8.2324 8.2473 9.9677 9.9677 10.1570 10.1570 10.2179 10.2352 k = 0.2209 0.1276 0.0902 ( 7630 PWs) bands (ev): -39.7829 -39.7829 -39.6044 -39.6044 -0.7898 -0.7898 0.7790 0.7930 0.8404 0.8404 1.2304 1.2304 1.4323 1.4323 1.4923 1.5111 5.8079 5.8079 8.1485 8.1485 8.1912 8.2063 9.9494 9.9494 10.1108 10.1108 10.1677 10.1825 k = 0.2326 0.1343 0.0949 ( 7630 PWs) bands (ev): -39.7829 -39.7829 -39.6045 -39.6045 -0.7514 -0.7514 0.7800 0.7941 0.8508 0.8508 1.2354 1.2354 1.4311 1.4311 1.4958 1.5148 5.6296 5.6296 8.1079 8.1079 8.1520 8.1673 9.9310 9.9310 10.0589 10.0589 10.1114 10.1238 k = 0.2442 0.1410 0.0997 ( 7630 PWs) bands (ev): -39.7828 -39.7828 -39.6046 -39.6046 -0.7122 -0.7122 0.7808 0.7950 0.8624 0.8624 1.2402 1.2402 1.4308 1.4308 1.4995 1.5187 5.4536 5.4536 8.0692 8.0692 8.1148 8.1303 9.9124 9.9124 10.0035 10.0035 10.0509 10.0612 k = 0.2558 0.1477 0.1044 ( 7624 PWs) bands (ev): -39.7827 -39.7827 -39.6046 -39.6046 -0.6722 -0.6722 0.7816 0.7958 0.8753 0.8753 1.2447 1.2447 1.4314 1.4314 1.5035 1.5227 5.2799 5.2799 8.0323 8.0323 8.0797 8.0952 9.8928 9.8928 9.9470 9.9470 9.9880 9.9962 k = 0.2674 0.1544 0.1092 ( 7630 PWs) bands (ev): -39.7827 -39.7827 -39.6047 -39.6047 -0.6319 -0.6319 0.7823 0.7964 0.8896 0.8896 1.2488 1.2488 1.4332 1.4332 1.5078 1.5268 5.1087 5.1087 7.9971 7.9971 8.0465 8.0620 9.8662 9.8662 9.8970 9.8970 9.9237 9.9302 k = 0.2791 0.1611 0.1139 ( 7624 PWs) bands (ev): -39.7826 -39.7826 -39.6047 -39.6047 -0.5913 -0.5913 0.7830 0.7968 0.9054 0.9054 1.2523 1.2523 1.4363 1.4363 1.5122 1.5310 4.9401 4.9401 7.9638 7.9638 8.0153 8.0307 9.8175 9.8175 9.8593 9.8642 9.8694 9.8694 k = 0.2907 0.1678 0.1187 ( 7624 PWs) bands (ev): -39.7825 -39.7825 -39.6048 -39.6048 -0.5509 -0.5509 0.7835 0.7970 0.9228 0.9228 1.2553 1.2553 1.4411 1.4411 1.5169 1.5353 4.7741 4.7741 7.9322 7.9322 7.9860 8.0013 9.7605 9.7605 9.7954 9.7990 9.8514 9.8514 k = 0.3023 0.1745 0.1234 ( 7633 PWs) bands (ev): -39.7825 -39.7825 -39.6048 -39.6048 -0.5109 -0.5109 0.7839 0.7971 0.9419 0.9419 1.2577 1.2577 1.4477 1.4477 1.5216 1.5396 4.6109 4.6109 7.9023 7.9023 7.9586 7.9738 9.7032 9.7032 9.7327 9.7351 9.8356 9.8356 k = 0.3140 0.1813 0.1282 ( 7627 PWs) bands (ev): -39.7824 -39.7824 -39.6049 -39.6049 -0.4715 -0.4715 0.7843 0.7971 0.9626 0.9626 1.2594 1.2594 1.4565 1.4565 1.5265 1.5440 4.4505 4.4505 7.8742 7.8742 7.9332 7.9480 9.6472 9.6472 9.6717 9.6730 9.8210 9.8210 k = 0.3256 0.1880 0.1329 ( 7597 PWs) bands (ev): -39.7823 -39.7823 -39.6049 -39.6049 -0.4332 -0.4332 0.7846 0.7969 0.9848 0.9848 1.2605 1.2605 1.4676 1.4676 1.5314 1.5483 4.2932 4.2932 7.8478 7.8478 7.9095 7.9240 9.5931 9.5931 9.6128 9.6133 9.8074 9.8074 k = 0.3372 0.1947 0.1377 ( 7591 PWs) bands (ev): -39.7823 -39.7823 -39.6050 -39.6050 -0.3961 -0.3961 0.7848 0.7966 1.0085 1.0085 1.2610 1.2610 1.4814 1.4814 1.5364 1.5525 4.1389 4.1389 7.8231 7.8231 7.8877 7.9018 9.5414 9.5414 9.5562 9.5564 9.7948 9.7948 k = 0.3488 0.2014 0.1424 ( 7615 PWs) bands (ev): -39.7822 -39.7822 -39.6050 -39.6050 -0.3607 -0.3607 0.7850 0.7962 1.0333 1.0333 1.2611 1.2611 1.4984 1.4984 1.5413 1.5567 3.9879 3.9879 7.8002 7.8002 7.8677 7.8813 9.4923 9.4923 9.5020 9.5028 9.7830 9.7830 k = 0.3605 0.2081 0.1472 ( 7609 PWs) bands (ev): -39.7822 -39.7822 -39.6051 -39.6051 -0.3272 -0.3272 0.7852 0.7956 1.0589 1.0589 1.2607 1.2607 1.5189 1.5189 1.5462 1.5606 3.8404 3.8404 7.7789 7.7789 7.8495 7.8624 9.4462 9.4462 9.4510 9.4522 9.7721 9.7721 k = 0.3721 0.2148 0.1519 ( 7606 PWs) bands (ev): -39.7821 -39.7821 -39.6051 -39.6051 -0.2958 -0.2958 0.7853 0.7950 1.0846 1.0846 1.2599 1.2599 1.5436 1.5436 1.5509 1.5644 3.6963 3.6963 7.7594 7.7594 7.8329 7.8452 9.4031 9.4031 9.4033 9.4049 9.7621 9.7621 k = 0.3837 0.2215 0.1567 ( 7612 PWs) bands (ev): -39.7821 -39.7821 -39.6051 -39.6051 -0.2667 -0.2667 0.7854 0.7944 1.1099 1.1099 1.2590 1.2590 1.5555 1.5680 1.5729 1.5729 3.5561 3.5561 7.7415 7.7415 7.8181 7.8295 9.3592 9.3611 9.3634 9.3634 9.7530 9.7530 k = 0.3953 0.2283 0.1614 ( 7624 PWs) bands (ev): -39.7820 -39.7820 -39.6052 -39.6052 -0.2402 -0.2402 0.7855 0.7937 1.1340 1.1340 1.2579 1.2579 1.5598 1.5713 1.6075 1.6075 3.4199 3.4199 7.7253 7.7253 7.8048 7.8155 9.3189 9.3209 9.3270 9.3270 9.7448 9.7448 k = 0.4070 0.2350 0.1661 ( 7615 PWs) bands (ev): -39.7820 -39.7820 -39.6052 -39.6052 -0.2163 -0.2163 0.7856 0.7930 1.1563 1.1563 1.2567 1.2567 1.5640 1.5742 1.6477 1.6477 3.2881 3.2881 7.7108 7.7108 7.7932 7.8029 9.2824 9.2845 9.2942 9.2942 9.7375 9.7375 k = 0.4186 0.2417 0.1709 ( 7615 PWs) bands (ev): -39.7820 -39.7820 -39.6052 -39.6052 -0.1951 -0.1951 0.7857 0.7922 1.1763 1.1763 1.2555 1.2555 1.5678 1.5769 1.6936 1.6936 3.1612 3.1612 7.6981 7.6981 7.7832 7.7918 9.2500 9.2520 9.2651 9.2651 9.7310 9.7310 k = 0.4302 0.2484 0.1756 ( 7627 PWs) bands (ev): -39.7819 -39.7819 -39.6053 -39.6053 -0.1768 -0.1768 0.7858 0.7915 1.1937 1.1937 1.2544 1.2544 1.5713 1.5791 1.7448 1.7448 3.0397 3.0397 7.6870 7.6870 7.7746 7.7822 9.2217 9.2236 9.2397 9.2397 9.7255 9.7255 k = 0.4419 0.2551 0.1804 ( 7615 PWs) bands (ev): -39.7819 -39.7819 -39.6053 -39.6053 -0.1613 -0.1613 0.7860 0.7907 1.2083 1.2083 1.2534 1.2534 1.5744 1.5810 1.8005 1.8005 2.9248 2.9248 7.6776 7.6776 7.7676 7.7740 9.1976 9.1993 9.2181 9.2181 9.7207 9.7207 k = 0.4535 0.2618 0.1851 ( 7627 PWs) bands (ev): -39.7819 -39.7819 -39.6053 -39.6053 -0.1487 -0.1487 0.7862 0.7900 1.2201 1.2201 1.2525 1.2525 1.5771 1.5824 1.8591 1.8591 2.8180 2.8180 7.6699 7.6699 7.7620 7.7672 9.1778 9.1793 9.2003 9.2003 9.7169 9.7169 k = 0.4651 0.2685 0.1899 ( 7636 PWs) bands (ev): -39.7819 -39.7819 -39.6053 -39.6053 -0.1389 -0.1389 0.7865 0.7894 1.2291 1.2291 1.2518 1.2518 1.5794 1.5834 1.9176 1.9176 2.7221 2.7221 7.6639 7.6639 7.7579 7.7618 9.1624 9.1636 9.1864 9.1864 9.7139 9.7139 k = 0.4767 0.2752 0.1946 ( 7642 PWs) bands (ev): -39.7819 -39.7819 -39.6053 -39.6053 -0.1319 -0.1319 0.7868 0.7888 1.2354 1.2354 1.2513 1.2513 1.5812 1.5839 1.9711 1.9711 2.6421 2.6421 7.6597 7.6597 7.7551 7.7578 9.1515 9.1522 9.1765 9.1765 9.7118 9.7118 k = 0.4884 0.2820 0.1994 ( 7648 PWs) bands (ev): -39.7819 -39.7819 -39.6054 -39.6054 -0.1277 -0.1277 0.7872 0.7882 1.2392 1.2392 1.2510 1.2510 1.5826 1.5840 2.0110 2.0110 2.5864 2.5864 7.6571 7.6571 7.7537 7.7551 9.1449 9.1453 9.1706 9.1706 9.7105 9.7105 k = 0.5000 0.2887 0.2041 ( 7648 PWs) bands (ev): -39.7819 -39.7819 -39.6054 -39.6054 -0.1263 -0.1263 0.7877 0.7877 1.2404 1.2404 1.2509 1.2509 1.5835 1.5835 2.0262 2.0262 2.5659 2.5659 7.6562 7.6562 7.7537 7.7537 9.1429 9.1429 9.1686 9.1686 9.7101 9.7101 k = 0.5000 0.2887 0.2041 ( 7648 PWs) bands (ev): -39.7819 -39.7819 -39.6054 -39.6054 -0.1263 -0.1263 0.7877 0.7877 1.2404 1.2404 1.2509 1.2509 1.5835 1.5835 2.0262 2.0262 2.5659 2.5659 7.6562 7.6562 7.7537 7.7537 9.1429 9.1429 9.1686 9.1686 9.7101 9.7101 k = 0.5040 0.2770 0.2107 ( 7648 PWs) bands (ev): -39.7819 -39.7819 -39.6054 -39.6054 -0.1270 -0.1239 0.7879 0.7879 1.2328 1.2450 1.2511 1.2535 1.5831 1.5831 2.0206 2.0329 2.5667 2.5678 7.6397 7.6433 7.7396 7.7399 9.1502 9.1504 9.1804 9.1804 9.7214 9.7216 k = 0.5081 0.2654 0.2173 ( 7635 PWs) bands (ev): -39.7819 -39.7819 -39.6054 -39.6054 -0.1261 -0.1199 0.7884 0.7884 1.2242 1.2459 1.2521 1.2597 1.5817 1.5819 2.0160 2.0403 2.5703 2.5723 7.5923 7.6007 7.7010 7.7031 9.1703 9.1716 9.2131 9.2134 9.7564 9.7567 k = 0.5121 0.2538 0.2239 ( 7629 PWs) bands (ev): -39.7819 -39.7819 -39.6054 -39.6054 -0.1235 -0.1142 0.7892 0.7894 1.2151 1.2459 1.2536 1.2667 1.5794 1.5800 2.0125 2.0484 2.5767 2.5794 7.5146 7.5281 7.6466 7.6513 9.1970 9.1996 9.2639 9.2644 9.8164 9.8167 k = 0.5161 0.2421 0.2305 ( 7622 PWs) bands (ev): -39.7818 -39.7818 -39.6054 -39.6054 -0.1194 -0.1069 0.7904 0.7907 1.2055 1.2458 1.2554 1.2738 1.5762 1.5776 2.0104 2.0569 2.5859 2.5891 7.4115 7.4292 7.5828 7.5896 9.2214 9.2250 9.3319 9.3319 9.9011 9.9014 k = 0.5202 0.2305 0.2370 ( 7622 PWs) bands (ev): -39.7818 -39.7818 -39.6054 -39.6054 -0.1137 -0.0981 0.7918 0.7925 1.1956 1.2458 1.2575 1.2807 1.5720 1.5747 2.0095 2.0658 2.5979 2.6012 7.2900 7.3108 7.5124 7.5206 9.2390 9.2435 9.4142 9.4150 10.0077 10.0082 k = 0.5242 0.2188 0.2436 ( 7632 PWs) bands (ev): -39.7818 -39.7818 -39.6054 -39.6054 -0.1065 -0.0876 0.7934 0.7947 1.1853 1.2459 1.2599 1.2875 1.5670 1.5714 2.0099 2.0748 2.6127 2.6157 7.1559 7.1791 7.4368 7.4457 9.2491 9.2544 9.5088 9.5102 10.1317 10.1328 k = 0.5282 0.2072 0.2502 ( 7626 PWs) bands (ev): -39.7818 -39.7818 -39.6054 -39.6054 -0.0979 -0.0758 0.7953 0.7974 1.1748 1.2461 1.2625 1.2942 1.5614 1.5680 2.0115 2.0840 2.6303 2.6326 7.0133 7.0385 7.3573 7.3667 9.2530 9.2590 9.6132 9.6153 10.2688 10.2705 k = 0.5323 0.1956 0.2568 ( 7633 PWs) bands (ev): -39.7818 -39.7818 -39.6054 -39.6054 -0.0879 -0.0625 0.7973 0.8005 1.1640 1.2465 1.2654 1.3008 1.5551 1.5644 2.0143 2.0932 2.6505 2.6517 6.8651 6.8922 7.2751 7.2849 9.2520 9.2587 9.7257 9.7282 10.4149 10.4175 k = 0.5363 0.1839 0.2634 ( 7631 PWs) bands (ev): -39.7818 -39.7818 -39.6054 -39.6054 -0.0767 -0.0479 0.7995 0.8042 1.1530 1.2470 1.2685 1.3075 1.5483 1.5607 2.0184 2.1025 2.6730 2.6733 6.7134 6.7422 7.1912 7.2013 9.2473 9.2546 9.8449 9.8477 10.5671 10.5707 k = 0.5403 0.1723 0.2700 ( 7622 PWs) bands (ev): -39.7818 -39.7818 -39.6054 -39.6054 -0.0643 -0.0321 0.8018 0.8083 1.1419 1.2477 1.2719 1.3143 1.5412 1.5571 2.0235 2.1119 2.6963 2.6984 6.5597 6.5900 7.1066 7.1169 9.2399 9.2477 9.9696 9.9727 10.7230 10.7278 k = 0.5444 0.1606 0.2766 ( 7619 PWs) bands (ev): -39.7817 -39.7817 -39.6055 -39.6055 -0.0508 -0.0152 0.8041 0.8129 1.1307 1.2485 1.2754 1.3213 1.5339 1.5537 2.0298 2.1215 2.7215 2.7259 6.4051 6.4369 7.0218 7.0323 9.2303 9.2387 10.0992 10.1025 10.8808 10.8868 k = 0.5484 0.1490 0.2831 ( 7625 PWs) bands (ev): -39.7817 -39.7817 -39.6055 -39.6055 -0.0364 0.0026 0.8065 0.8181 1.1194 1.2494 1.2792 1.3285 1.5266 1.5504 2.0372 2.1312 2.7486 2.7554 6.2505 6.2837 6.9373 6.9480 9.2192 9.2279 10.2329 10.2363 11.0388 11.0461 k = 0.5524 0.1374 0.2897 ( 7624 PWs) bands (ev): -39.7817 -39.7817 -39.6055 -39.6055 -0.0212 0.0213 0.8088 0.8239 1.1081 1.2506 1.2830 1.3360 1.5192 1.5474 2.0458 2.1413 2.7772 2.7867 6.0966 6.1312 6.8537 6.8644 9.2069 9.2160 10.3704 10.3739 11.1956 11.2041 k = 0.5565 0.1257 0.2963 ( 7628 PWs) bands (ev): -39.7817 -39.7817 -39.6055 -39.6055 -0.0054 0.0406 0.8111 0.8303 1.0968 1.2519 1.2870 1.3438 1.5119 1.5447 2.0555 2.1519 2.8074 2.8196 5.9440 5.9800 6.7712 6.7820 9.1937 9.2031 10.5112 10.5146 11.3493 11.3591 k = 0.5605 0.1141 0.3029 ( 7614 PWs) bands (ev): -39.7816 -39.7816 -39.6055 -39.6055 0.0110 0.0604 0.8132 0.8372 1.0857 1.2535 1.2911 1.3518 1.5048 1.5425 2.0666 2.1631 2.8387 2.8539 5.7932 5.8306 6.6901 6.7010 9.1799 9.1895 10.6549 10.6584 11.4980 11.5089 k = 0.5645 0.1024 0.3095 ( 7617 PWs) bands (ev): -39.7816 -39.7816 -39.6056 -39.6056 0.0278 0.0805 0.8151 0.8448 1.0746 1.2553 1.2951 1.3602 1.4980 1.5406 2.0791 2.1751 2.8710 2.8893 5.6449 5.6837 6.6106 6.6215 9.1658 9.1755 10.8013 10.8048 11.6384 11.6504 k = 0.5685 0.0908 0.3161 ( 7623 PWs) bands (ev): -39.7816 -39.7816 -39.6056 -39.6056 0.0447 0.1006 0.8168 0.8530 1.0638 1.2574 1.2991 1.3689 1.4914 1.5393 2.0931 2.1880 2.9039 2.9253 5.4995 5.5396 6.5330 6.5439 9.1514 9.1613 10.9502 10.9535 11.7660 11.7784 k = 0.5726 0.0792 0.3226 ( 7625 PWs) bands (ev): -39.7816 -39.7816 -39.6056 -39.6056 0.0617 0.1207 0.8182 0.8618 1.0531 1.2598 1.3029 1.3778 1.4853 1.5384 2.1088 2.2021 2.9370 2.9616 5.3576 5.3991 6.4573 6.4683 9.1369 9.1469 11.1012 11.1044 11.8728 11.8850 k = 0.5766 0.0675 0.3292 ( 7620 PWs) bands (ev): -39.7815 -39.7815 -39.6056 -39.6056 0.0786 0.1405 0.8194 0.8711 1.0429 1.2625 1.3066 1.3869 1.4795 1.5382 2.1264 2.2176 2.9700 2.9978 5.2200 5.2627 6.3838 6.3947 9.1226 9.1326 11.2541 11.2571 11.9476 11.9579 k = 0.5806 0.0559 0.3358 ( 7624 PWs) bands (ev): -39.7815 -39.7815 -39.6057 -39.6056 0.0952 0.1597 0.8202 0.8808 1.0331 1.2655 1.3101 1.3961 1.4742 1.5385 2.1460 2.2345 3.0021 3.0331 5.0872 5.1313 6.3126 6.3235 9.1085 9.1184 11.4085 11.4114 11.9790 11.9853 k = 0.5847 0.0442 0.3424 ( 7620 PWs) bands (ev): -39.7815 -39.7815 -39.6057 -39.6057 0.1113 0.1782 0.8206 0.8907 1.0239 1.2687 1.3133 1.4052 1.4694 1.5395 2.1678 2.2532 3.0327 3.0670 4.9604 5.0056 6.2438 6.2547 9.0946 9.1045 11.5642 11.5668 11.9638 11.9652 k = 0.5887 0.0326 0.3490 ( 7612 PWs) bands (ev): -39.7815 -39.7815 -39.6057 -39.6057 0.1269 0.1959 0.8207 0.9004 1.0156 1.2722 1.3161 1.4142 1.4652 1.5410 2.1920 2.2737 3.0608 3.0985 4.8404 4.8868 6.1775 6.1884 9.0812 9.0910 11.7204 11.7227 11.9080 11.9112 k = 0.5927 0.0210 0.3556 ( 7614 PWs) bands (ev): -39.7814 -39.7814 -39.6057 -39.6057 0.1418 0.2125 0.8203 0.9096 1.0085 1.2759 1.3187 1.4229 1.4616 1.5430 2.2187 2.2962 3.0855 3.1266 4.7288 4.7762 6.1139 6.1247 9.0682 9.0779 11.8246 11.8320 11.8788 11.8814 k = 0.5968 0.0093 0.3622 ( 7607 PWs) bands (ev): -39.7814 -39.7814 -39.6057 -39.6057 0.1558 0.2279 0.8197 0.9174 1.0035 1.2796 1.3209 1.4309 1.4588 1.5455 2.2479 2.3208 3.1052 3.1498 4.6270 4.6753 6.0530 6.0637 9.0558 9.0653 11.7314 11.7412 12.0337 12.0357 k = 0.6008-0.0023 0.3687 ( 7614 PWs) bands (ev): -39.7814 -39.7814 -39.6057 -39.6057 0.1688 0.2420 0.8187 0.9228 1.0012 1.2832 1.3228 1.4378 1.4573 1.5485 2.2795 2.3473 3.1187 3.1669 4.5370 4.5860 5.9950 6.0056 9.0440 9.0534 11.6294 11.6412 12.1880 12.1895 k = 0.6048-0.0140 0.3753 ( 7614 PWs) bands (ev): -39.7814 -39.7814 -39.6058 -39.6058 0.1807 0.2546 0.8173 0.9249 1.0024 1.2868 1.3244 1.4425 1.4582 1.5518 2.3133 2.3757 3.1245 3.1763 4.4606 4.5103 5.9399 5.9504 9.0329 9.0421 11.5235 11.5367 12.3391 12.3401 k = 0.6089-0.0256 0.3819 ( 7612 PWs) bands (ev): -39.7814 -39.7814 -39.6058 -39.6058 0.1915 0.2658 0.8157 0.9238 1.0069 1.2900 1.3257 1.4441 1.4619 1.5554 2.3488 2.4056 3.1216 3.1770 4.3996 4.4499 5.8879 5.8983 9.0226 9.0315 11.4158 11.4301 12.4847 12.4853 k = 0.6129-0.0372 0.3885 ( 7606 PWs) bands (ev): -39.7813 -39.7813 -39.6058 -39.6058 0.2010 0.2753 0.8139 0.9200 1.0139 1.2929 1.3269 1.4441 1.4672 1.5592 2.3849 2.4362 3.1097 3.1685 4.3555 4.4062 5.8391 5.8493 9.0130 9.0217 11.3076 11.3229 12.6216 12.6216 k = 0.6169-0.0489 0.3951 ( 7610 PWs) bands (ev): -39.7813 -39.7813 -39.6058 -39.6058 0.2092 0.2833 0.8118 0.9146 1.0221 1.2953 1.3279 1.4436 1.4728 1.5630 2.4202 2.4662 3.0904 3.1519 4.3285 4.3798 5.7934 5.8035 9.0042 9.0126 11.1998 11.2159 12.7450 12.7455 k = 0.6210-0.0605 0.4017 ( 7616 PWs) bands (ev): -39.7813 -39.7813 -39.6058 -39.6058 0.2159 0.2896 0.8097 0.9082 1.0307 1.2972 1.3288 1.4431 1.4781 1.5669 2.4518 2.4934 3.0671 3.1302 4.3182 4.3701 5.7511 5.7610 8.9962 9.0044 11.0930 11.1097 12.8503 12.8513 k = 0.6250-0.0722 0.4082 ( 7618 PWs) bands (ev): -39.7813 -39.7813 -39.6058 -39.6058 0.2212 0.2943 0.8074 0.9013 1.0391 1.2985 1.3297 1.4425 1.4830 1.5706 2.4757 2.5146 3.0456 3.1083 4.3230 4.3758 5.7122 5.7219 8.9892 8.9971 10.9876 11.0048 12.9335 12.9346 k = 0.6250-0.0722 0.4082 ( 7618 PWs) bands (ev): -39.7813 -39.7813 -39.6058 -39.6058 0.2212 0.2943 0.8074 0.9013 1.0391 1.2985 1.3297 1.4425 1.4830 1.5706 2.4757 2.5146 3.0456 3.1083 4.3230 4.3758 5.7122 5.7219 8.9892 8.9971 10.9876 11.0048 12.9335 12.9346 k = 0.6181-0.0682 0.4196 ( 7618 PWs) bands (ev): -39.7813 -39.7813 -39.6058 -39.6058 0.2213 0.2947 0.8078 0.9014 1.0386 1.2982 1.3303 1.4423 1.4829 1.5702 2.4766 2.5159 3.0455 3.1083 4.3237 4.3766 5.7045 5.7162 8.9988 9.0073 10.9877 11.0048 12.9185 12.9223 k = 0.6111-0.0642 0.4309 ( 7612 PWs) bands (ev): -39.7813 -39.7813 -39.6058 -39.6058 0.2217 0.2957 0.8090 0.9016 1.0372 1.2976 1.3320 1.4418 1.4829 1.5691 2.4793 2.5195 3.0455 3.1083 4.3258 4.3791 5.6824 5.6986 9.0276 9.0375 10.9880 11.0049 12.8775 12.8845 k = 0.6042-0.0601 0.4423 ( 7609 PWs) bands (ev): -39.7813 -39.7813 -39.6058 -39.6058 0.2223 0.2975 0.8109 0.9019 1.0349 1.2968 1.3347 1.4411 1.4828 1.5672 2.4838 2.5256 3.0453 3.1083 4.3293 4.3832 5.6478 5.6690 9.0749 9.0866 10.9885 11.0049 12.8157 12.8252 k = 0.5972-0.0561 0.4536 ( 7608 PWs) bands (ev): -39.7813 -39.7813 -39.6058 -39.6058 0.2231 0.2999 0.8136 0.9023 1.0317 1.2958 1.3379 1.4400 1.4827 1.5645 2.4903 2.5341 3.0450 3.1080 4.3342 4.3889 5.6023 5.6286 9.1397 9.1530 10.9890 11.0049 12.7382 12.7497 k = 0.5903-0.0521 0.4649 ( 7611 PWs) bands (ev): -39.7813 -39.7813 -39.6058 -39.6058 0.2241 0.3028 0.8170 0.9028 1.0278 1.2951 1.3416 1.4388 1.4827 1.5612 2.4986 2.5448 3.0443 3.1074 4.3404 4.3962 5.5478 5.5788 9.2204 9.2351 10.9896 11.0047 12.6499 12.6630 k = 0.5833-0.0481 0.4763 ( 7612 PWs) bands (ev): -39.7813 -39.7813 -39.6058 -39.6058 0.2254 0.3062 0.8212 0.9033 1.0231 1.2945 1.3453 1.4376 1.4827 1.5573 2.5089 2.5578 3.0431 3.1063 4.3478 4.4050 5.4862 5.5214 9.3153 9.3311 10.9901 11.0041 12.5544 12.5688 k = 0.5764-0.0441 0.4876 ( 7628 PWs) bands (ev): -39.7813 -39.7813 -39.6058 -39.6058 0.2268 0.3099 0.8262 0.9039 1.0179 1.2942 1.3487 1.4366 1.4827 1.5528 2.5212 2.5729 3.0412 3.1043 4.3563 4.4152 5.4195 5.4584 9.4228 9.4392 10.9902 11.0031 12.4547 12.4703 k = 0.5694-0.0401 0.4990 ( 7617 PWs) bands (ev): -39.7813 -39.7813 -39.6058 -39.6058 0.2284 0.3139 0.8319 0.9045 1.0121 1.2944 1.3516 1.4360 1.4828 1.5478 2.5355 2.5901 3.0384 3.1013 4.3658 4.4266 5.3497 5.3915 9.5409 9.5574 10.9899 11.0015 12.3530 12.3696 k = 0.5625-0.0361 0.5103 ( 7622 PWs) bands (ev): -39.7813 -39.7813 -39.6058 -39.6058 0.2301 0.3180 0.8382 0.9051 1.0058 1.2951 1.3535 1.4362 1.4829 1.5425 2.5519 2.6094 3.0343 3.0967 4.3760 4.4392 5.2787 5.3228 9.6678 9.6840 10.9888 10.9989 12.2509 12.2685 k = 0.5556-0.0321 0.5217 ( 7608 PWs) bands (ev): -39.7813 -39.7813 -39.6058 -39.6058 0.2319 0.3221 0.8452 0.9057 0.9992 1.2962 1.3543 1.4374 1.4830 1.5367 2.5704 2.6307 3.0286 3.0903 4.3868 4.4525 5.2086 5.2539 9.8017 9.8172 10.9867 10.9950 12.1499 12.1685 k = 0.5486-0.0281 0.5330 ( 7610 PWs) bands (ev): -39.7813 -39.7813 -39.6058 -39.6058 0.2337 0.3261 0.8527 0.9062 0.9923 1.2979 1.3538 1.4398 1.4830 1.5308 2.5909 2.6538 3.0209 3.0816 4.3977 4.4664 5.1411 5.1869 9.9407 9.9548 10.9829 10.9899 12.0514 12.0710 k = 0.5417-0.0241 0.5443 ( 7608 PWs) bands (ev): -39.7813 -39.7813 -39.6058 -39.6058 0.2355 0.3299 0.8606 0.9067 0.9852 1.3002 1.3519 1.4433 1.4829 1.5246 2.6133 2.6788 3.0112 3.0702 4.4083 4.4803 5.0782 5.1233 10.0823 10.0947 10.9769 10.9833 11.9567 11.9774 k = 0.5347-0.0200 0.5557 ( 7603 PWs) bands (ev): -39.7813 -39.7813 -39.6058 -39.6058 0.2372 0.3333 0.8686 0.9072 0.9780 1.3030 1.3490 1.4477 1.4826 1.5185 2.6374 2.7053 2.9990 3.0556 4.4179 4.4935 5.0220 5.0652 10.2236 10.2337 10.9682 10.9754 11.8675 11.8893 k = 0.5278-0.0160 0.5670 ( 7608 PWs) bands (ev): -39.7813 -39.7813 -39.6059 -39.6058 0.2387 0.3363 0.8763 0.9079 0.9708 1.3064 1.3452 1.4530 1.4822 1.5124 2.6630 2.7331 2.9844 3.0377 4.4261 4.5054 4.9742 5.0143 10.3602 10.3678 10.9569 10.9663 11.7858 11.8087 k = 0.5208-0.0120 0.5784 ( 7600 PWs) bands (ev): -39.7813 -39.7813 -39.6059 -39.6058 0.2400 0.3388 0.8832 0.9092 0.9639 1.3103 1.3408 1.4586 1.4815 1.5065 2.6893 2.7615 2.9681 3.0163 4.4321 4.5150 4.9366 4.9725 10.4847 10.4909 10.9448 10.9567 11.7146 11.7385 k = 0.5139-0.0080 0.5897 ( 7596 PWs) bands (ev): -39.7813 -39.7813 -39.6059 -39.6058 0.2411 0.3407 0.8884 0.9114 0.9576 1.3144 1.3362 1.4643 1.4806 1.5013 2.7147 2.7889 2.9519 2.9923 4.4358 4.5216 4.9103 4.9415 10.5860 10.5930 10.9356 10.9485 11.6580 11.6828 k = 0.5069-0.0040 0.6010 ( 7604 PWs) bands (ev): -39.7813 -39.7813 -39.6059 -39.6058 0.2417 0.3418 0.8912 0.9141 0.9528 1.3186 1.3317 1.4692 1.4795 1.4972 2.7354 2.8113 2.9402 2.9684 4.4372 4.5250 4.8952 4.9227 10.6514 10.6582 10.9349 10.9449 11.6213 11.6469 k = 0.5000-0.0000 0.6124 ( 7612 PWs) bands (ev): -39.7813 -39.7813 -39.6059 -39.6059 0.2420 0.3422 0.8920 0.9155 0.9509 1.3210 1.3292 1.4713 1.4790 1.4955 2.7443 2.8210 2.9375 2.9549 4.4374 4.5259 4.8905 4.9166 10.6730 10.6779 10.9393 10.9447 11.6090 11.6348 k = 0.5000-0.0000 0.6124 ( 7612 PWs) bands (ev): -39.7813 -39.7813 -39.6059 -39.6059 0.2420 0.3422 0.8920 0.9155 0.9509 1.3210 1.3292 1.4713 1.4790 1.4955 2.7443 2.8210 2.9375 2.9549 4.4374 4.5259 4.8905 4.9166 10.6730 10.6779 10.9393 10.9447 11.6090 11.6348 k = 0.5000 0.0082 0.6007 ( 7600 PWs) bands (ev): -39.7813 -39.7813 -39.6059 -39.6058 0.2413 0.3414 0.8912 0.9159 0.9509 1.3210 1.3289 1.4704 1.4794 1.4957 2.7265 2.8015 2.9465 2.9812 4.4349 4.5222 4.8993 4.9282 10.6559 10.6647 10.9453 10.9593 11.6074 11.6333 k = 0.5000 0.0165 0.5890 ( 7594 PWs) bands (ev): -39.7813 -39.7813 -39.6058 -39.6058 0.2393 0.3391 0.8892 0.9171 0.9512 1.3207 1.3283 1.4678 1.4804 1.4960 2.6860 2.7574 2.9792 3.0265 4.4288 4.5131 4.9253 4.9604 10.6153 10.6277 10.9636 10.9873 11.6048 11.6307 k = 0.5000 0.0247 0.5774 ( 7612 PWs) bands (ev): -39.7813 -39.7813 -39.6059 -39.6058 0.2360 0.3351 0.8862 0.9182 0.9519 1.3200 1.3276 1.4642 1.4818 1.4962 2.6372 2.7057 3.0202 3.0732 4.4229 4.5032 4.9664 5.0081 10.5626 10.5767 10.9822 11.0142 11.6071 11.6322 k = 0.5000 0.0330 0.5657 ( 7610 PWs) bands (ev): -39.7813 -39.7813 -39.6058 -39.6058 0.2314 0.3295 0.8827 0.9186 0.9535 1.3185 1.3270 1.4597 1.4834 1.4963 2.5861 2.6529 3.0605 3.1162 4.4214 4.4975 5.0196 5.0670 10.5042 10.5190 10.9907 11.0306 11.6207 11.6439 k = 0.5000 0.0412 0.5541 ( 7608 PWs) bands (ev): -39.7813 -39.7813 -39.6058 -39.6058 0.2255 0.3224 0.8790 0.9179 0.9563 1.3161 1.3268 1.4547 1.4851 1.4962 2.5353 2.6012 3.0959 3.1524 4.4280 4.5001 5.0821 5.1342 10.4431 10.4584 10.9840 11.0309 11.6500 11.6709 k = 0.5000 0.0495 0.5424 ( 7616 PWs) bands (ev): -39.7813 -39.7813 -39.6058 -39.6058 0.2183 0.3137 0.8750 0.9160 0.9602 1.3129 1.3268 1.4492 1.4868 1.4959 2.4859 2.5518 3.1238 3.1799 4.4457 4.5140 5.1518 5.2079 10.3812 10.3967 10.9613 11.0143 11.6957 11.7143 k = 0.5000 0.0577 0.5307 ( 7620 PWs) bands (ev): -39.7813 -39.7813 -39.6058 -39.6058 0.2098 0.3034 0.8709 0.9128 0.9652 1.3091 1.3267 1.4435 1.4879 1.4960 2.4385 2.5053 3.1428 3.1976 4.4762 4.5413 5.2273 5.2866 10.3192 10.3350 10.9252 10.9829 11.7557 11.7725 k = 0.5000 0.0660 0.5191 ( 7620 PWs) bands (ev): -39.7813 -39.7813 -39.6058 -39.6058 0.2001 0.2916 0.8667 0.9088 0.9711 1.3048 1.3264 1.4377 1.4880 1.4970 2.3936 2.4620 3.1523 3.2050 4.5204 4.5830 5.3074 5.3695 10.2579 10.2740 10.8788 10.9404 11.8268 11.8422 k = 0.5000 0.0742 0.5074 ( 7622 PWs) bands (ev): -39.7814 -39.7814 -39.6058 -39.6058 0.1892 0.2784 0.8625 0.9039 0.9778 1.3003 1.3256 1.4318 1.4871 1.4990 2.3514 2.4221 3.1524 3.2026 4.5782 4.6390 5.3914 5.4560 10.1976 10.2140 10.8252 10.8898 11.9060 11.9203 k = 0.5000 0.0825 0.4957 ( 7624 PWs) bands (ev): -39.7814 -39.7814 -39.6058 -39.6058 0.1771 0.2638 0.8583 0.8985 0.9851 1.2957 1.3244 1.4258 1.4857 1.5016 2.3122 2.3855 3.1439 3.1914 4.6487 4.7085 5.4789 5.5456 10.1385 10.1554 10.7663 10.8336 11.9908 12.0042 k = 0.5000 0.0907 0.4841 ( 7628 PWs) bands (ev): -39.7814 -39.7814 -39.6058 -39.6057 0.1640 0.2478 0.8540 0.8927 0.9929 1.2909 1.3226 1.4198 1.4844 1.5045 2.2760 2.3523 3.1282 3.1728 4.7309 4.7903 5.5692 5.6378 10.0810 10.0983 10.7036 10.7733 12.0787 12.0913 k = 0.5000 0.0990 0.4724 ( 7634 PWs) bands (ev): -39.7814 -39.7814 -39.6057 -39.6057 0.1499 0.2306 0.8498 0.8865 1.0013 1.2862 1.3202 1.4136 1.4835 1.5076 2.2428 2.3223 3.1066 3.1482 4.8234 4.8828 5.6622 5.7325 10.0251 10.0428 10.6383 10.7102 12.1671 12.1788 k = 0.5000 0.1072 0.4607 ( 7630 PWs) bands (ev): -39.7814 -39.7814 -39.6057 -39.6057 0.1349 0.2124 0.8457 0.8800 1.0102 1.2817 1.3174 1.4071 1.4832 1.5108 2.2125 2.2952 3.0805 3.1190 4.9250 4.9847 5.7574 5.8292 9.9709 9.9891 10.5709 10.6448 12.2519 12.2627 k = 0.5000 0.1155 0.4491 ( 7628 PWs) bands (ev): -39.7815 -39.7815 -39.6057 -39.6057 0.1191 0.1932 0.8416 0.8734 1.0194 1.2773 1.3141 1.4003 1.4838 1.5141 2.1852 2.2709 3.0510 3.0864 5.0345 5.0946 5.8547 5.9279 9.9185 9.9372 10.5018 10.5776 12.3258 12.3348 k = 0.5000 0.1237 0.4374 ( 7628 PWs) bands (ev): -39.7815 -39.7815 -39.6057 -39.6057 0.1027 0.1732 0.8376 0.8666 1.0291 1.2732 1.3105 1.3930 1.4853 1.5175 2.1605 2.2491 3.0191 3.0515 5.1508 5.2115 5.9538 6.0282 9.8680 9.8872 10.4313 10.5090 12.3719 12.3786 k = 0.5000 0.1320 0.4257 ( 7624 PWs) bands (ev): -39.7815 -39.7815 -39.6056 -39.6056 0.0858 0.1527 0.8336 0.8599 1.0391 1.2693 1.3066 1.3854 1.4878 1.5209 2.1385 2.2296 2.9857 3.0150 5.2732 5.3344 6.0545 6.1299 9.8193 9.8392 10.3597 10.4390 12.3564 12.3698 k = 0.5000 0.1402 0.4141 ( 7622 PWs) bands (ev): -39.7815 -39.7815 -39.6056 -39.6056 0.0686 0.1317 0.8298 0.8532 1.0495 1.2658 1.3027 1.3775 1.4912 1.5245 2.1188 2.2120 2.9516 2.9777 5.4009 5.4626 6.1566 6.2329 9.7727 9.7931 10.2869 10.3678 12.2628 12.2891 k = 0.5000 0.1485 0.4024 ( 7618 PWs) bands (ev): -39.7816 -39.7816 -39.6056 -39.6056 0.0512 0.1105 0.8261 0.8467 1.0601 1.2626 1.2987 1.3694 1.4955 1.5281 2.1012 2.1961 2.9172 2.9402 5.5332 5.5953 6.2598 6.3369 9.7279 9.7490 10.2131 10.2955 12.1161 12.1512 k = 0.5000 0.1567 0.3908 ( 7626 PWs) bands (ev): -39.7816 -39.7816 -39.6056 -39.6056 0.0339 0.0893 0.8224 0.8403 1.0710 1.2598 1.2946 1.3613 1.5005 1.5318 2.0857 2.1817 2.8831 2.9029 5.6695 5.7320 6.3640 6.4417 9.6851 9.7069 10.1383 10.2219 11.9436 11.9831 k = 0.5000 0.1650 0.3791 ( 7626 PWs) bands (ev): -39.7816 -39.7816 -39.6056 -39.6055 0.0166 0.0683 0.8189 0.8341 1.0821 1.2573 1.2906 1.3532 1.5062 1.5355 2.0719 2.1686 2.8496 2.8663 5.8094 5.8721 6.4689 6.5470 9.6442 9.6668 10.0626 10.1472 11.7592 11.8008 k = 0.5000 0.1732 0.3674 ( 7634 PWs) bands (ev): -39.7817 -39.7817 -39.6055 -39.6055 -0.0003 0.0476 0.8155 0.8283 1.0934 1.2550 1.2867 1.3453 1.5124 1.5394 2.0598 2.1564 2.8171 2.8308 5.9523 6.0152 6.5742 6.6526 9.6051 9.6286 9.9861 10.0715 11.5698 11.6121 k = 0.5000 0.1815 0.3558 ( 7624 PWs) bands (ev): -39.7817 -39.7817 -39.6055 -39.6055 -0.0167 0.0274 0.8122 0.8227 1.1048 1.2531 1.2829 1.3375 1.5191 1.5433 2.0491 2.1451 2.7859 2.7966 6.0978 6.1607 6.6797 6.7580 9.5679 9.5924 9.9087 9.9946 11.3788 11.4211 k = 0.5000 0.1897 0.3441 ( 7622 PWs) bands (ev): -39.7817 -39.7817 -39.6055 -39.6055 -0.0324 0.0079 0.8091 0.8175 1.1163 1.2514 1.2791 1.3300 1.5260 1.5472 2.0398 2.1344 2.7561 2.7640 6.2454 6.3081 6.7849 6.8629 9.5322 9.5579 9.8309 9.9169 11.1884 11.2300 k = 0.5000 0.1979 0.3324 ( 7616 PWs) bands (ev): -39.7817 -39.7817 -39.6055 -39.6055 -0.0473 -0.0107 0.8061 0.8127 1.1278 1.2500 1.2755 1.3228 1.5332 1.5513 2.0318 2.1242 2.7279 2.7333 6.3945 6.4569 6.8896 6.9669 9.4980 9.5250 9.7528 9.8384 11.0003 11.0406 k = 0.5000 0.2062 0.3208 ( 7624 PWs) bands (ev): -39.7817 -39.7817 -39.6054 -39.6054 -0.0613 -0.0283 0.8032 0.8083 1.1393 1.2488 1.2720 1.3157 1.5403 1.5553 2.0250 2.1143 2.7016 2.7048 6.5445 6.6063 6.9931 7.0692 9.4649 9.4935 9.6749 9.7596 10.8158 10.8543 k = 0.5000 0.2144 0.3091 ( 7620 PWs) bands (ev): -39.7818 -39.7818 -39.6054 -39.6054 -0.0742 -0.0447 0.8006 0.8043 1.1507 1.2478 1.2688 1.3088 1.5474 1.5593 2.0194 2.1046 2.6771 2.6787 6.6946 6.7554 7.0950 7.1693 9.4325 9.4628 9.5978 9.6807 10.6366 10.6727 k = 0.5000 0.2227 0.2974 ( 7622 PWs) bands (ev): -39.7818 -39.7818 -39.6054 -39.6054 -0.0860 -0.0599 0.7981 0.8008 1.1620 1.2470 1.2657 1.3019 1.5542 1.5633 2.0150 2.0950 2.6542 2.6556 6.8437 6.9031 7.1946 7.2662 9.4002 9.4323 9.5226 9.6025 10.4646 10.4974 k = 0.5000 0.2309 0.2858 ( 7628 PWs) bands (ev): -39.7818 -39.7818 -39.6054 -39.6054 -0.0964 -0.0737 0.7958 0.7976 1.1731 1.2465 1.2628 1.2952 1.5606 1.5672 2.0119 2.0855 2.6333 2.6355 6.9906 7.0478 7.2910 7.3588 9.3670 9.4000 9.4512 9.5258 10.3021 10.3307 k = 0.5000 0.2392 0.2741 ( 7624 PWs) bands (ev): -39.7818 -39.7818 -39.6054 -39.6054 -0.1054 -0.0861 0.7938 0.7949 1.1839 1.2461 1.2601 1.2884 1.5664 1.5709 2.0100 2.0761 2.6149 2.6179 7.1334 7.1872 7.3835 7.4458 9.3318 9.3603 9.3897 9.4516 10.1524 10.1757 k = 0.5000 0.2474 0.2624 ( 7626 PWs) bands (ev): -39.7818 -39.7818 -39.6054 -39.6054 -0.1129 -0.0969 0.7920 0.7927 1.1944 1.2459 1.2577 1.2814 1.5715 1.5743 2.0095 2.0668 2.5995 2.6027 7.2694 7.3179 7.4711 7.5256 9.2931 9.3071 9.3448 9.3812 10.0193 10.0365 k = 0.5000 0.2557 0.2508 ( 7626 PWs) bands (ev): -39.7818 -39.7818 -39.6054 -39.6054 -0.1189 -0.1062 0.7905 0.7909 1.2046 1.2458 1.2556 1.2744 1.5758 1.5773 2.0102 2.0577 2.5869 2.5901 7.3947 7.4348 7.5532 7.5965 9.2482 9.2572 9.3032 9.3162 9.9071 9.9179 k = 0.5000 0.2639 0.2391 ( 7630 PWs) bands (ev): -39.7819 -39.7819 -39.6054 -39.6054 -0.1233 -0.1138 0.7893 0.7895 1.2144 1.2459 1.2537 1.2672 1.5792 1.5799 2.0124 2.0489 2.5772 2.5800 7.5034 7.5309 7.6288 7.6567 9.2038 9.2145 9.2579 9.2598 9.8195 9.8248 k = 0.5000 0.2722 0.2275 ( 7636 PWs) bands (ev): -39.7819 -39.7819 -39.6054 -39.6054 -0.1260 -0.1197 0.7884 0.7885 1.2238 1.2460 1.2522 1.2600 1.5816 1.5818 2.0158 2.0407 2.5705 2.5726 7.5875 7.6006 7.6937 7.7053 9.1702 9.1771 9.2119 9.2155 9.7579 9.7597 k = 0.5000 0.2804 0.2158 ( 7648 PWs) bands (ev): -39.7819 -39.7819 -39.6054 -39.6054 -0.1270 -0.1238 0.7879 0.7879 1.2326 1.2451 1.2511 1.2536 1.5831 1.5831 2.0204 2.0330 2.5668 2.5678 7.6388 7.6428 7.7383 7.7400 9.1499 9.1515 9.1803 9.1814 9.7219 9.7222 k = 0.5000 0.2887 0.2041 ( 7648 PWs) bands (ev): -39.7819 -39.7819 -39.6054 -39.6054 -0.1263 -0.1263 0.7877 0.7877 1.2404 1.2404 1.2509 1.2509 1.5835 1.5835 2.0262 2.0262 2.5659 2.5659 7.6562 7.6562 7.7537 7.7537 9.1429 9.1429 9.1686 9.1686 9.7101 9.7101 k = 0.5000 0.2887 0.2041 ( 7648 PWs) bands (ev): -39.7819 -39.7819 -39.6054 -39.6054 -0.1263 -0.1263 0.7877 0.7877 1.2404 1.2404 1.2509 1.2509 1.5835 1.5835 2.0262 2.0262 2.5659 2.5659 7.6562 7.6562 7.7537 7.7537 9.1429 9.1429 9.1686 9.1686 9.7101 9.7101 k = 0.4960 0.2863 0.2173 ( 7648 PWs) bands (ev): -39.7819 -39.7819 -39.6054 -39.6054 -0.1270 -0.1239 0.7879 0.7879 1.2328 1.2450 1.2511 1.2535 1.5831 1.5831 2.0206 2.0329 2.5667 2.5678 7.6397 7.6433 7.7396 7.7399 9.1502 9.1504 9.1804 9.1804 9.7214 9.7216 k = 0.4919 0.2840 0.2305 ( 7635 PWs) bands (ev): -39.7819 -39.7819 -39.6054 -39.6054 -0.1261 -0.1199 0.7884 0.7884 1.2242 1.2459 1.2521 1.2597 1.5817 1.5819 2.0160 2.0403 2.5703 2.5723 7.5923 7.6007 7.7010 7.7031 9.1703 9.1716 9.2131 9.2134 9.7564 9.7567 k = 0.4879 0.2817 0.2436 ( 7629 PWs) bands (ev): -39.7819 -39.7819 -39.6054 -39.6054 -0.1235 -0.1142 0.7892 0.7894 1.2151 1.2459 1.2536 1.2667 1.5794 1.5800 2.0125 2.0484 2.5767 2.5794 7.5146 7.5281 7.6466 7.6513 9.1970 9.1996 9.2639 9.2644 9.8164 9.8167 k = 0.4839 0.2794 0.2568 ( 7622 PWs) bands (ev): -39.7818 -39.7818 -39.6054 -39.6054 -0.1194 -0.1069 0.7904 0.7907 1.2055 1.2458 1.2554 1.2738 1.5762 1.5776 2.0104 2.0569 2.5859 2.5891 7.4115 7.4292 7.5828 7.5896 9.2214 9.2251 9.3319 9.3319 9.9011 9.9014 k = 0.4798 0.2770 0.2700 ( 7622 PWs) bands (ev): -39.7818 -39.7818 -39.6054 -39.6054 -0.1137 -0.0981 0.7918 0.7925 1.1956 1.2458 1.2575 1.2807 1.5720 1.5747 2.0095 2.0658 2.5979 2.6012 7.2900 7.3108 7.5124 7.5206 9.2390 9.2435 9.4142 9.4150 10.0077 10.0082 k = 0.4758 0.2747 0.2831 ( 7632 PWs) bands (ev): -39.7818 -39.7818 -39.6054 -39.6054 -0.1065 -0.0876 0.7934 0.7947 1.1853 1.2459 1.2599 1.2875 1.5670 1.5714 2.0099 2.0748 2.6127 2.6157 7.1559 7.1791 7.4368 7.4457 9.2491 9.2544 9.5088 9.5102 10.1317 10.1328 k = 0.4718 0.2724 0.2963 ( 7626 PWs) bands (ev): -39.7818 -39.7818 -39.6054 -39.6054 -0.0979 -0.0758 0.7953 0.7974 1.1748 1.2461 1.2625 1.2942 1.5614 1.5680 2.0115 2.0840 2.6303 2.6326 7.0133 7.0385 7.3573 7.3667 9.2530 9.2590 9.6132 9.6153 10.2688 10.2705 k = 0.4677 0.2701 0.3095 ( 7633 PWs) bands (ev): -39.7818 -39.7818 -39.6054 -39.6054 -0.0879 -0.0625 0.7973 0.8005 1.1640 1.2465 1.2654 1.3008 1.5551 1.5644 2.0143 2.0932 2.6505 2.6517 6.8651 6.8922 7.2751 7.2849 9.2520 9.2587 9.7257 9.7282 10.4149 10.4175 k = 0.4637 0.2677 0.3226 ( 7631 PWs) bands (ev): -39.7818 -39.7818 -39.6054 -39.6054 -0.0767 -0.0479 0.7995 0.8042 1.1530 1.2470 1.2685 1.3075 1.5483 1.5607 2.0184 2.1025 2.6730 2.6733 6.7134 6.7422 7.1912 7.2013 9.2473 9.2547 9.8449 9.8477 10.5671 10.5707 k = 0.4597 0.2654 0.3358 ( 7622 PWs) bands (ev): -39.7818 -39.7818 -39.6054 -39.6054 -0.0643 -0.0321 0.8018 0.8083 1.1419 1.2477 1.2719 1.3143 1.5412 1.5571 2.0235 2.1119 2.6963 2.6984 6.5597 6.5900 7.1066 7.1169 9.2399 9.2477 9.9696 9.9727 10.7230 10.7278 k = 0.4556 0.2631 0.3490 ( 7619 PWs) bands (ev): -39.7817 -39.7817 -39.6055 -39.6055 -0.0508 -0.0152 0.8041 0.8129 1.1307 1.2485 1.2754 1.3213 1.5339 1.5537 2.0298 2.1215 2.7215 2.7259 6.4051 6.4369 7.0218 7.0323 9.2303 9.2387 10.0992 10.1025 10.8808 10.8868 k = 0.4516 0.2607 0.3622 ( 7625 PWs) bands (ev): -39.7817 -39.7817 -39.6055 -39.6055 -0.0364 0.0026 0.8065 0.8181 1.1194 1.2494 1.2792 1.3285 1.5266 1.5504 2.0372 2.1312 2.7486 2.7554 6.2505 6.2837 6.9373 6.9480 9.2192 9.2280 10.2329 10.2363 11.0388 11.0461 k = 0.4476 0.2584 0.3753 ( 7624 PWs) bands (ev): -39.7817 -39.7817 -39.6055 -39.6055 -0.0212 0.0213 0.8088 0.8239 1.1081 1.2506 1.2830 1.3360 1.5192 1.5474 2.0458 2.1413 2.7772 2.7867 6.0966 6.1312 6.8537 6.8644 9.2069 9.2160 10.3704 10.3739 11.1956 11.2041 k = 0.4435 0.2561 0.3885 ( 7628 PWs) bands (ev): -39.7817 -39.7817 -39.6055 -39.6055 -0.0054 0.0406 0.8111 0.8303 1.0968 1.2519 1.2870 1.3438 1.5119 1.5447 2.0555 2.1519 2.8074 2.8196 5.9440 5.9800 6.7712 6.7820 9.1937 9.2031 10.5112 10.5146 11.3493 11.3591 k = 0.4395 0.2538 0.4017 ( 7614 PWs) bands (ev): -39.7816 -39.7816 -39.6055 -39.6055 0.0110 0.0604 0.8132 0.8372 1.0857 1.2535 1.2911 1.3518 1.5048 1.5425 2.0666 2.1631 2.8387 2.8539 5.7932 5.8306 6.6901 6.7010 9.1799 9.1895 10.6549 10.6584 11.4980 11.5089 k = 0.4355 0.2514 0.4148 ( 7617 PWs) bands (ev): -39.7816 -39.7816 -39.6056 -39.6056 0.0278 0.0805 0.8151 0.8448 1.0746 1.2553 1.2951 1.3602 1.4980 1.5406 2.0791 2.1751 2.8710 2.8893 5.6449 5.6837 6.6106 6.6215 9.1658 9.1755 10.8013 10.8047 11.6384 11.6503 k = 0.4315 0.2491 0.4280 ( 7623 PWs) bands (ev): -39.7816 -39.7816 -39.6056 -39.6056 0.0447 0.1006 0.8168 0.8530 1.0638 1.2574 1.2991 1.3689 1.4914 1.5393 2.0931 2.1880 2.9039 2.9253 5.4995 5.5396 6.5330 6.5439 9.1514 9.1613 10.9502 10.9535 11.7660 11.7784 k = 0.4274 0.2468 0.4412 ( 7625 PWs) bands (ev): -39.7816 -39.7816 -39.6056 -39.6056 0.0617 0.1207 0.8182 0.8618 1.0531 1.2598 1.3029 1.3778 1.4853 1.5385 2.1088 2.2021 2.9370 2.9616 5.3576 5.3991 6.4573 6.4683 9.1370 9.1469 11.1012 11.1044 11.8728 11.8850 k = 0.4234 0.2444 0.4543 ( 7620 PWs) bands (ev): -39.7815 -39.7815 -39.6056 -39.6056 0.0786 0.1405 0.8194 0.8711 1.0429 1.2625 1.3066 1.3869 1.4795 1.5382 2.1264 2.2176 2.9700 2.9978 5.2200 5.2627 6.3838 6.3947 9.1226 9.1326 11.2541 11.2571 11.9476 11.9579 k = 0.4194 0.2421 0.4675 ( 7624 PWs) bands (ev): -39.7815 -39.7815 -39.6057 -39.6056 0.0952 0.1597 0.8202 0.8808 1.0331 1.2655 1.3101 1.3961 1.4742 1.5385 2.1460 2.2345 3.0021 3.0331 5.0872 5.1313 6.3126 6.3235 9.1085 9.1184 11.4085 11.4114 11.9790 11.9853 k = 0.4153 0.2398 0.4807 ( 7620 PWs) bands (ev): -39.7815 -39.7815 -39.6057 -39.6057 0.1113 0.1782 0.8206 0.8907 1.0239 1.2687 1.3133 1.4052 1.4694 1.5395 2.1678 2.2532 3.0327 3.0670 4.9604 5.0056 6.2438 6.2547 9.0946 9.1045 11.5642 11.5668 11.9638 11.9652 k = 0.4113 0.2375 0.4938 ( 7612 PWs) bands (ev): -39.7815 -39.7815 -39.6057 -39.6057 0.1269 0.1959 0.8207 0.9004 1.0156 1.2722 1.3161 1.4142 1.4652 1.5410 2.1920 2.2737 3.0608 3.0985 4.8404 4.8868 6.1775 6.1884 9.0812 9.0910 11.7204 11.7227 11.9080 11.9112 k = 0.4073 0.2351 0.5070 ( 7614 PWs) bands (ev): -39.7814 -39.7814 -39.6057 -39.6057 0.1418 0.2125 0.8203 0.9096 1.0085 1.2759 1.3187 1.4229 1.4616 1.5430 2.2187 2.2962 3.0855 3.1266 4.7288 4.7762 6.1139 6.1247 9.0682 9.0779 11.8246 11.8320 11.8788 11.8814 k = 0.4032 0.2328 0.5202 ( 7607 PWs) bands (ev): -39.7814 -39.7814 -39.6057 -39.6057 0.1558 0.2279 0.8197 0.9174 1.0035 1.2796 1.3209 1.4309 1.4588 1.5455 2.2479 2.3208 3.1052 3.1498 4.6270 4.6753 6.0530 6.0637 9.0558 9.0654 11.7314 11.7412 12.0337 12.0357 k = 0.3992 0.2305 0.5334 ( 7614 PWs) bands (ev): -39.7814 -39.7814 -39.6057 -39.6057 0.1688 0.2420 0.8187 0.9228 1.0012 1.2832 1.3228 1.4378 1.4573 1.5485 2.2795 2.3473 3.1187 3.1669 4.5370 4.5860 5.9950 6.0056 9.0441 9.0534 11.6294 11.6412 12.1880 12.1895 k = 0.3952 0.2281 0.5465 ( 7614 PWs) bands (ev): -39.7814 -39.7814 -39.6058 -39.6058 0.1807 0.2546 0.8173 0.9249 1.0024 1.2868 1.3244 1.4425 1.4582 1.5518 2.3133 2.3757 3.1245 3.1763 4.4606 4.5103 5.9400 5.9504 9.0329 9.0421 11.5235 11.5367 12.3391 12.3401 k = 0.3911 0.2258 0.5597 ( 7612 PWs) bands (ev): -39.7814 -39.7814 -39.6058 -39.6058 0.1915 0.2658 0.8157 0.9238 1.0069 1.2900 1.3257 1.4441 1.4619 1.5554 2.3488 2.4056 3.1215 3.1770 4.3996 4.4499 5.8879 5.8983 9.0226 9.0315 11.4158 11.4301 12.4847 12.4853 k = 0.3871 0.2235 0.5729 ( 7606 PWs) bands (ev): -39.7813 -39.7813 -39.6058 -39.6058 0.2010 0.2753 0.8139 0.9200 1.0139 1.2929 1.3269 1.4441 1.4672 1.5592 2.3849 2.4362 3.1097 3.1685 4.3555 4.4062 5.8391 5.8493 9.0130 9.0217 11.3076 11.3229 12.6216 12.6216 k = 0.3831 0.2212 0.5860 ( 7610 PWs) bands (ev): -39.7813 -39.7813 -39.6058 -39.6058 0.2092 0.2833 0.8118 0.9146 1.0221 1.2953 1.3279 1.4436 1.4728 1.5630 2.4202 2.4662 3.0904 3.1519 4.3285 4.3798 5.7934 5.8035 9.0042 9.0126 11.1998 11.2159 12.7450 12.7455 k = 0.3790 0.2188 0.5992 ( 7616 PWs) bands (ev): -39.7813 -39.7813 -39.6058 -39.6058 0.2159 0.2896 0.8097 0.9082 1.0307 1.2972 1.3288 1.4431 1.4781 1.5669 2.4519 2.4934 3.0671 3.1302 4.3182 4.3701 5.7511 5.7610 8.9963 9.0044 11.0930 11.1097 12.8503 12.8513 k = 0.3750 0.2165 0.6124 ( 7618 PWs) bands (ev): -39.7813 -39.7813 -39.6058 -39.6058 0.2212 0.2943 0.8074 0.9013 1.0391 1.2985 1.3297 1.4425 1.4830 1.5706 2.4757 2.5146 3.0455 3.1083 4.3230 4.3758 5.7122 5.7219 8.9892 8.9971 10.9876 11.0048 12.9335 12.9346 k = 0.6250-0.0722 0.4082 ( 7618 PWs) bands (ev): -39.7813 -39.7813 -39.6058 -39.6058 0.2212 0.2943 0.8074 0.9013 1.0391 1.2985 1.3297 1.4425 1.4830 1.5706 2.4757 2.5146 3.0456 3.1083 4.3230 4.3758 5.7122 5.7219 8.9892 8.9971 10.9876 11.0048 12.9335 12.9346 k = 0.6181-0.0842 0.4082 ( 7624 PWs) bands (ev): -39.7813 -39.7813 -39.6058 -39.6058 0.2287 0.3003 0.8034 0.8890 1.0532 1.3000 1.3312 1.4411 1.4913 1.5770 2.5021 2.5397 3.0184 3.0772 4.3468 4.4011 5.6496 5.6590 8.9782 8.9856 10.8086 10.8265 13.0578 13.0589 k = 0.6111-0.0962 0.4082 ( 7624 PWs) bands (ev): -39.7813 -39.7813 -39.6058 -39.6058 0.2355 0.3054 0.7990 0.8763 1.0678 1.3016 1.3328 1.4392 1.5002 1.5833 2.5179 2.5563 3.0003 3.0531 4.3776 4.4331 5.5901 5.5992 8.9681 8.9750 10.6325 10.6510 13.1850 13.1860 k = 0.6042-0.1083 0.4082 ( 7622 PWs) bands (ev): -39.7813 -39.7813 -39.6058 -39.6058 0.2417 0.3095 0.7945 0.8634 1.0829 1.3031 1.3343 1.4370 1.5095 1.5896 2.5232 2.5640 2.9912 3.0365 4.4152 4.4713 5.5337 5.5424 8.9586 8.9650 10.4601 10.4789 13.3150 13.3160 k = 0.5972-0.1203 0.4082 ( 7630 PWs) bands (ev): -39.7813 -39.7813 -39.6059 -39.6058 0.2473 0.3128 0.7898 0.8506 1.0984 1.3046 1.3357 1.4344 1.5189 1.5958 2.5189 2.5629 2.9900 3.0270 4.4588 4.5152 5.4805 5.4889 8.9499 8.9558 10.2920 10.3112 13.4477 13.4487 k = 0.5903-0.1323 0.4082 ( 7626 PWs) bands (ev): -39.7813 -39.7813 -39.6059 -39.6058 0.2524 0.3152 0.7849 0.8381 1.1143 1.3063 1.3371 1.4315 1.5285 1.6018 2.5071 2.5543 2.9945 3.0236 4.5080 4.5640 5.4306 5.4386 8.9419 8.9473 10.1291 10.1484 13.5833 13.5843 k = 0.5833-0.1443 0.4082 ( 7620 PWs) bands (ev): -39.7813 -39.7813 -39.6059 -39.6058 0.2571 0.3169 0.7801 0.8260 1.1306 1.3080 1.3383 1.4281 1.5382 1.6076 2.4903 2.5398 3.0028 3.0248 4.5617 4.6167 5.3840 5.3918 8.9345 8.9394 9.9721 9.9914 13.7216 13.7226 k = 0.5764-0.1564 0.4082 ( 7622 PWs) bands (ev): -39.7813 -39.7813 -39.6059 -39.6059 0.2614 0.3178 0.7752 0.8144 1.1471 1.3099 1.3393 1.4242 1.5479 1.6131 2.4705 2.5211 3.0129 3.0291 4.6189 4.6724 5.3410 5.3483 8.9278 8.9321 9.8219 9.8410 13.8627 13.8637 k = 0.5694-0.1684 0.4082 ( 7614 PWs) bands (ev): -39.7813 -39.7813 -39.6059 -39.6059 0.2654 0.3181 0.7705 0.8036 1.1639 1.3119 1.3401 1.4197 1.5575 1.6181 2.4495 2.4998 3.0236 3.0352 4.6784 4.7298 5.3014 5.3085 8.9216 8.9254 9.6794 9.6980 14.0066 14.0075 k = 0.5625-0.1804 0.4082 ( 7638 PWs) bands (ev): -39.7813 -39.7813 -39.6059 -39.6059 0.2692 0.3178 0.7660 0.7935 1.1808 1.3141 1.3407 1.4144 1.5670 1.6227 2.4285 2.4774 3.0341 3.0421 4.7390 4.7877 5.2656 5.2723 8.9160 8.9192 9.5455 9.5634 14.1530 14.1540 k = 0.5556-0.1925 0.4082 ( 7630 PWs) bands (ev): -39.7813 -39.7813 -39.6059 -39.6059 0.2727 0.3169 0.7618 0.7844 1.1978 1.3163 1.3411 1.4085 1.5762 1.6268 2.4084 2.4548 3.0438 3.0491 4.7991 4.8446 5.2336 5.2399 8.9108 8.9134 9.4214 9.4383 14.3021 14.3030 k = 0.5486-0.2045 0.4082 ( 7628 PWs) bands (ev): -39.7813 -39.7813 -39.6059 -39.6059 0.2761 0.3156 0.7579 0.7762 1.2148 1.3186 1.3413 1.4016 1.5851 1.6302 2.3900 2.4329 3.0524 3.0558 4.8573 4.8990 5.2055 5.2115 8.9060 8.9079 9.3084 9.3238 14.4536 14.4545 k = 0.5417-0.2165 0.4082 ( 7642 PWs) bands (ev): -39.7813 -39.7813 -39.6059 -39.6059 0.2794 0.3138 0.7544 0.7690 1.2317 1.3210 1.3412 1.3938 1.5936 1.6329 2.3737 2.4123 3.0598 3.0619 4.9119 4.9493 5.1817 5.1872 8.9013 8.9025 9.2077 9.2213 14.6073 14.6083 k = 0.5347-0.2285 0.4082 ( 7646 PWs) bands (ev): -39.7813 -39.7813 -39.6059 -39.6059 0.2826 0.3117 0.7514 0.7627 1.2484 1.3233 1.3408 1.3851 1.6016 1.6348 2.3600 2.3934 3.0660 3.0672 4.9611 4.9935 5.1625 5.1676 8.8965 8.8968 9.1210 9.1323 14.7629 14.7639 k = 0.5278-0.2406 0.4082 ( 7638 PWs) bands (ev): -39.7813 -39.7813 -39.6059 -39.6059 0.2857 0.3093 0.7490 0.7575 1.2648 1.3256 1.3402 1.3755 1.6089 1.6358 2.3491 2.3767 3.0711 3.0716 5.0028 5.0294 5.1490 5.1530 8.8901 8.8908 9.0502 9.0588 14.9196 14.9205 k = 0.5208-0.2526 0.4082 ( 7642 PWs) bands (ev): -39.7813 -39.7813 -39.6059 -39.6059 0.2888 0.3067 0.7473 0.7533 1.2808 1.3277 1.3394 1.3649 1.6155 1.6359 2.3413 2.3625 3.0749 3.0751 5.0349 5.0544 5.1422 5.1444 8.8814 8.8833 8.9975 9.0029 15.0752 15.0762 k = 0.5139-0.2646 0.4082 ( 7644 PWs) bands (ev): -39.7813 -39.7813 -39.6059 -39.6059 0.2919 0.3039 0.7462 0.7501 1.2962 1.3294 1.3384 1.3537 1.6213 1.6350 2.3368 2.3511 3.0776 3.0776 5.0557 5.0674 5.1422 5.1423 8.8706 8.8732 8.9640 8.9664 15.2226 15.2236 k = 0.5069-0.2766 0.4082 ( 7640 PWs) bands (ev): -39.7813 -39.7813 -39.6059 -39.6059 0.2950 0.3010 0.7459 0.7478 1.3108 1.3299 1.3374 1.3427 1.6262 1.6331 2.3355 2.3427 3.0791 3.0792 5.0663 5.0714 5.1445 5.1452 8.8610 8.8628 8.9472 8.9480 15.3276 15.3282 k = 0.5000-0.2887 0.4082 ( 7640 PWs) bands (ev): -39.7813 -39.7813 -39.6059 -39.6059 0.2980 0.2980 0.7464 0.7464 1.3237 1.3237 1.3372 1.3372 1.6301 1.6301 2.3375 2.3375 3.0797 3.0797 5.0707 5.0707 5.1464 5.1464 8.8577 8.8577 8.9425 8.9425 15.3521 15.3522 Writing output data file Li2AlAg.save init_run : 0.86s CPU 0.51s WALL ( 1 calls) electrons : 246.06s CPU 157.26s WALL ( 1 calls) Called by init_run: wfcinit : 0.02s CPU 0.01s WALL ( 1 calls) potinit : 0.07s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 246.06s CPU 157.25s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.00s WALL ( 1 calls) newd : 0.26s CPU 0.14s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.20s CPU 0.27s WALL ( 332 calls) cegterg : 207.14s CPU 134.93s WALL ( 389 calls) Called by sum_band: Called by *egterg: h_psi : 160.48s CPU 96.70s WALL ( 6444 calls) s_psi : 3.86s CPU 2.35s WALL ( 6444 calls) g_psi : 0.16s CPU 0.11s WALL ( 5723 calls) cdiaghg : 61.26s CPU 44.32s WALL ( 6055 calls) cegterg:over : 6.41s CPU 4.14s WALL ( 5723 calls) cegterg:upda : 4.21s CPU 2.75s WALL ( 5723 calls) cegterg:last : 2.36s CPU 1.53s WALL ( 1072 calls) cdiaghg:chol : 2.72s CPU 2.03s WALL ( 6055 calls) cdiaghg:inve : 0.49s CPU 0.35s WALL ( 6055 calls) cdiaghg:para : 3.39s CPU 2.62s WALL ( 12110 calls) Called by h_psi: h_psi:vloc : 151.29s CPU 90.91s WALL ( 6444 calls) h_psi:vnl : 9.02s CPU 5.69s WALL ( 6444 calls) add_vuspsi : 4.67s CPU 2.99s WALL ( 6444 calls) General routines calbec : 4.32s CPU 2.68s WALL ( 6444 calls) fft : 0.08s CPU 0.05s WALL ( 15 calls) fftw : 147.04s CPU 88.21s WALL ( 411288 calls) davcio : 0.30s CPU 0.44s WALL ( 664 calls) Parallel routines fft_scatter : 93.45s CPU 57.72s WALL ( 411303 calls) PWSCF : 4m26.90s CPU 3m13.01s WALL This run was terminated on: 12:50:11 15Mar2017 =------------------------------------------------------------------------------= JOB DONE. 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