Program PWSCF v.5.1.1 starts on 5Dec2015 at 8:14: 2 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), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./Si3P2Pt.save/ file Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 64 26 7 4324 1107 175 Max 65 27 8 4333 1137 184 Sum 3107 1259 369 207793 53833 8625 bravais-lattice index = 14 lattice parameter (alat) = 9.1463 a.u. unit-cell volume = 1365.8463 (a.u.)^3 number of atoms/cell = 12 number of atomic types = 3 number of electrons = 64.00 number of Kohn-Sham states= 76 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 433.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.146274 celldm(2)= 1.132645 celldm(3)= 1.663636 celldm(4)= -0.027398 celldm(5)= -0.061397 celldm(6)= -0.311340 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.352638 1.076351 0.000000 ) a(3) = ( -0.102142 -0.081429 1.658500 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.327623 0.077673 ) b(2) = ( 0.000000 0.929065 0.045615 ) b(3) = ( 0.000000 0.000000 0.602954 ) PseudoPot. # 1 for Pt read from file: /home/autes/Pseudo/Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5a767c0d250ba2b616d7addddc548ecc Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1277 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Si read from file: /home/autes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 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 P read from file: /home/autes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1147 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 Pt 10.00 195.08400 Pt( 1.00) Si 4.00 28.08550 Si( 1.00) P 5.00 30.97380 P( 1.00) No symmetry 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 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 261 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 -0.4645326 -0.0228076), wk = 0.0038314 k( 2) = ( 0.0000000 -0.4495477 -0.0220718), wk = 0.0038314 k( 3) = ( 0.0000000 -0.4345628 -0.0213361), wk = 0.0038314 k( 4) = ( 0.0000000 -0.4195779 -0.0206004), wk = 0.0038314 k( 5) = ( 0.0000000 -0.4045930 -0.0198646), wk = 0.0038314 k( 6) = ( 0.0000000 -0.3896080 -0.0191289), wk = 0.0038314 k( 7) = ( 0.0000000 -0.3746231 -0.0183932), wk = 0.0038314 k( 8) = ( 0.0000000 -0.3596382 -0.0176575), wk = 0.0038314 k( 9) = ( 0.0000000 -0.3446533 -0.0169217), wk = 0.0038314 k( 10) = ( 0.0000000 -0.3296683 -0.0161860), wk = 0.0038314 k( 11) = ( 0.0000000 -0.3146834 -0.0154503), wk = 0.0038314 k( 12) = ( 0.0000000 -0.2996985 -0.0147146), wk = 0.0038314 k( 13) = ( 0.0000000 -0.2847136 -0.0139788), wk = 0.0038314 k( 14) = ( 0.0000000 -0.2697286 -0.0132431), wk = 0.0038314 k( 15) = ( 0.0000000 -0.2547437 -0.0125074), wk = 0.0038314 k( 16) = ( 0.0000000 -0.2397588 -0.0117716), wk = 0.0038314 k( 17) = ( 0.0000000 -0.2247739 -0.0110359), wk = 0.0038314 k( 18) = ( 0.0000000 -0.2097889 -0.0103002), wk = 0.0038314 k( 19) = ( 0.0000000 -0.1948040 -0.0095645), wk = 0.0038314 k( 20) = ( 0.0000000 -0.1798191 -0.0088287), wk = 0.0038314 k( 21) = ( 0.0000000 -0.1648342 -0.0080930), wk = 0.0038314 k( 22) = ( 0.0000000 -0.1498492 -0.0073573), wk = 0.0038314 k( 23) = ( 0.0000000 -0.1348643 -0.0066215), wk = 0.0038314 k( 24) = ( 0.0000000 -0.1198794 -0.0058858), wk = 0.0038314 k( 25) = ( 0.0000000 -0.1048945 -0.0051501), wk = 0.0038314 k( 26) = ( 0.0000000 -0.0899095 -0.0044144), wk = 0.0038314 k( 27) = ( 0.0000000 -0.0749246 -0.0036786), wk = 0.0038314 k( 28) = ( 0.0000000 -0.0599397 -0.0029429), wk = 0.0038314 k( 29) = ( 0.0000000 -0.0449548 -0.0022072), wk = 0.0038314 k( 30) = ( 0.0000000 -0.0299698 -0.0014715), wk = 0.0038314 k( 31) = ( 0.0000000 -0.0149849 -0.0007357), wk = 0.0038314 k( 32) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038314 k( 33) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038314 k( 34) = ( 0.0142857 0.0046803 0.0011096), wk = 0.0038314 k( 35) = ( 0.0285714 0.0093607 0.0022192), wk = 0.0038314 k( 36) = ( 0.0428571 0.0140410 0.0033288), wk = 0.0038314 k( 37) = ( 0.0571429 0.0187213 0.0044384), wk = 0.0038314 k( 38) = ( 0.0714286 0.0234017 0.0055480), wk = 0.0038314 k( 39) = ( 0.0857143 0.0280820 0.0066577), wk = 0.0038314 k( 40) = ( 0.1000000 0.0327623 0.0077673), wk = 0.0038314 k( 41) = ( 0.1142857 0.0374427 0.0088769), wk = 0.0038314 k( 42) = ( 0.1285714 0.0421230 0.0099865), wk = 0.0038314 k( 43) = ( 0.1428571 0.0468033 0.0110961), wk = 0.0038314 k( 44) = ( 0.1571429 0.0514837 0.0122057), wk = 0.0038314 k( 45) = ( 0.1714286 0.0561640 0.0133153), wk = 0.0038314 k( 46) = ( 0.1857143 0.0608443 0.0144249), wk = 0.0038314 k( 47) = ( 0.2000000 0.0655247 0.0155345), wk = 0.0038314 k( 48) = ( 0.2142857 0.0702050 0.0166441), wk = 0.0038314 k( 49) = ( 0.2285714 0.0748853 0.0177538), wk = 0.0038314 k( 50) = ( 0.2428571 0.0795657 0.0188634), wk = 0.0038314 k( 51) = ( 0.2571429 0.0842460 0.0199730), wk = 0.0038314 k( 52) = ( 0.2714286 0.0889263 0.0210826), wk = 0.0038314 k( 53) = ( 0.2857143 0.0936067 0.0221922), wk = 0.0038314 k( 54) = ( 0.3000000 0.0982870 0.0233018), wk = 0.0038314 k( 55) = ( 0.3142857 0.1029673 0.0244114), wk = 0.0038314 k( 56) = ( 0.3285714 0.1076476 0.0255210), wk = 0.0038314 k( 57) = ( 0.3428571 0.1123280 0.0266306), wk = 0.0038314 k( 58) = ( 0.3571429 0.1170083 0.0277402), wk = 0.0038314 k( 59) = ( 0.3714286 0.1216886 0.0288499), wk = 0.0038314 k( 60) = ( 0.3857143 0.1263690 0.0299595), wk = 0.0038314 k( 61) = ( 0.4000000 0.1310493 0.0310691), wk = 0.0038314 k( 62) = ( 0.4142857 0.1357296 0.0321787), wk = 0.0038314 k( 63) = ( 0.4285714 0.1404100 0.0332883), wk = 0.0038314 k( 64) = ( 0.4428571 0.1450903 0.0343979), wk = 0.0038314 k( 65) = ( 0.4571429 0.1497706 0.0355075), wk = 0.0038314 k( 66) = ( 0.4714286 0.1544510 0.0366171), wk = 0.0038314 k( 67) = ( 0.4857143 0.1591313 0.0377267), wk = 0.0038314 k( 68) = ( 0.5000000 0.1638116 0.0388363), wk = 0.0038314 k( 69) = ( 0.5000000 -0.3007210 0.0160288), wk = 0.0038314 k( 70) = ( 0.4868421 -0.2928073 0.0156070), wk = 0.0038314 k( 71) = ( 0.4736842 -0.2848936 0.0151852), wk = 0.0038314 k( 72) = ( 0.4605263 -0.2769799 0.0147634), wk = 0.0038314 k( 73) = ( 0.4473684 -0.2690662 0.0143416), wk = 0.0038314 k( 74) = ( 0.4342105 -0.2611525 0.0139197), wk = 0.0038314 k( 75) = ( 0.4210526 -0.2532387 0.0134979), wk = 0.0038314 k( 76) = ( 0.4078947 -0.2453250 0.0130761), wk = 0.0038314 k( 77) = ( 0.3947368 -0.2374113 0.0126543), wk = 0.0038314 k( 78) = ( 0.3815789 -0.2294976 0.0122325), wk = 0.0038314 k( 79) = ( 0.3684211 -0.2215839 0.0118107), wk = 0.0038314 k( 80) = ( 0.3552632 -0.2136702 0.0113889), wk = 0.0038314 k( 81) = ( 0.3421053 -0.2057565 0.0109671), wk = 0.0038314 k( 82) = ( 0.3289474 -0.1978428 0.0105453), wk = 0.0038314 k( 83) = ( 0.3157895 -0.1899291 0.0101234), wk = 0.0038314 k( 84) = ( 0.3026316 -0.1820153 0.0097016), wk = 0.0038314 k( 85) = ( 0.2894737 -0.1741016 0.0092798), wk = 0.0038314 k( 86) = ( 0.2763158 -0.1661879 0.0088580), wk = 0.0038314 k( 87) = ( 0.2631579 -0.1582742 0.0084362), wk = 0.0038314 k( 88) = ( 0.2500000 -0.1503605 0.0080144), wk = 0.0038314 k( 89) = ( 0.2368421 -0.1424468 0.0075926), wk = 0.0038314 k( 90) = ( 0.2236842 -0.1345331 0.0071708), wk = 0.0038314 k( 91) = ( 0.2105263 -0.1266194 0.0067490), wk = 0.0038314 k( 92) = ( 0.1973684 -0.1187057 0.0063272), wk = 0.0038314 k( 93) = ( 0.1842105 -0.1107920 0.0059053), wk = 0.0038314 k( 94) = ( 0.1710526 -0.1028782 0.0054835), wk = 0.0038314 k( 95) = ( 0.1578947 -0.0949645 0.0050617), wk = 0.0038314 k( 96) = ( 0.1447368 -0.0870508 0.0046399), wk = 0.0038314 k( 97) = ( 0.1315790 -0.0791371 0.0042181), wk = 0.0038314 k( 98) = ( 0.1184210 -0.0712234 0.0037963), wk = 0.0038314 k( 99) = ( 0.1052632 -0.0633097 0.0033745), wk = 0.0038314 k( 100) = ( 0.0921053 -0.0553960 0.0029527), wk = 0.0038314 k( 101) = ( 0.0789474 -0.0474823 0.0025309), wk = 0.0038314 k( 102) = ( 0.0657895 -0.0395686 0.0021091), wk = 0.0038314 k( 103) = ( 0.0526316 -0.0316548 0.0016872), wk = 0.0038314 k( 104) = ( 0.0394737 -0.0237411 0.0012654), wk = 0.0038314 k( 105) = ( 0.0263158 -0.0158274 0.0008436), wk = 0.0038314 k( 106) = ( 0.0131579 -0.0079137 0.0004218), wk = 0.0038314 k( 107) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038314 k( 108) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038314 k( 109) = ( -0.0128205 -0.0042003 0.0067344), wk = 0.0038314 k( 110) = ( -0.0256410 -0.0084006 0.0134688), wk = 0.0038314 k( 111) = ( -0.0384615 -0.0126009 0.0202031), wk = 0.0038314 k( 112) = ( -0.0512821 -0.0168012 0.0269375), wk = 0.0038314 k( 113) = ( -0.0641026 -0.0210015 0.0336719), wk = 0.0038314 k( 114) = ( -0.0769231 -0.0252018 0.0404063), wk = 0.0038314 k( 115) = ( -0.0897436 -0.0294021 0.0471407), wk = 0.0038314 k( 116) = ( -0.1025641 -0.0336024 0.0538751), wk = 0.0038314 k( 117) = ( -0.1153846 -0.0378027 0.0606094), wk = 0.0038314 k( 118) = ( -0.1282051 -0.0420030 0.0673438), wk = 0.0038314 k( 119) = ( -0.1410256 -0.0462033 0.0740782), wk = 0.0038314 k( 120) = ( -0.1538461 -0.0504036 0.0808126), wk = 0.0038314 k( 121) = ( -0.1666667 -0.0546039 0.0875470), wk = 0.0038314 k( 122) = ( -0.1794872 -0.0588042 0.0942813), wk = 0.0038314 k( 123) = ( -0.1923077 -0.0630045 0.1010157), wk = 0.0038314 k( 124) = ( -0.2051282 -0.0672048 0.1077501), wk = 0.0038314 k( 125) = ( -0.2179487 -0.0714051 0.1144845), wk = 0.0038314 k( 126) = ( -0.2307692 -0.0756054 0.1212189), wk = 0.0038314 k( 127) = ( -0.2435897 -0.0798057 0.1279533), wk = 0.0038314 k( 128) = ( -0.2564103 -0.0840060 0.1346876), wk = 0.0038314 k( 129) = ( -0.2692308 -0.0882063 0.1414220), wk = 0.0038314 k( 130) = ( -0.2820513 -0.0924066 0.1481564), wk = 0.0038314 k( 131) = ( -0.2948718 -0.0966069 0.1548908), wk = 0.0038314 k( 132) = ( -0.3076923 -0.1008072 0.1616252), wk = 0.0038314 k( 133) = ( -0.3205128 -0.1050075 0.1683595), wk = 0.0038314 k( 134) = ( -0.3333333 -0.1092078 0.1750939), wk = 0.0038314 k( 135) = ( -0.3461538 -0.1134081 0.1818283), wk = 0.0038314 k( 136) = ( -0.3589744 -0.1176084 0.1885627), wk = 0.0038314 k( 137) = ( -0.3717949 -0.1218087 0.1952971), wk = 0.0038314 k( 138) = ( -0.3846154 -0.1260089 0.2020315), wk = 0.0038314 k( 139) = ( -0.3974359 -0.1302092 0.2087658), wk = 0.0038314 k( 140) = ( -0.4102564 -0.1344095 0.2155002), wk = 0.0038314 k( 141) = ( -0.4230769 -0.1386098 0.2222346), wk = 0.0038314 k( 142) = ( -0.4358974 -0.1428101 0.2289690), wk = 0.0038314 k( 143) = ( -0.4487179 -0.1470104 0.2357034), wk = 0.0038314 k( 144) = ( -0.4615385 -0.1512107 0.2424377), wk = 0.0038314 k( 145) = ( -0.4743590 -0.1554110 0.2491721), wk = 0.0038314 k( 146) = ( -0.4871795 -0.1596113 0.2559065), wk = 0.0038314 k( 147) = ( -0.5000000 -0.1638116 0.2626409), wk = 0.0038314 k( 148) = ( -0.5000000 -0.6283443 0.2398333), wk = 0.0038314 k( 149) = ( -0.4909091 -0.6169198 0.2354727), wk = 0.0038314 k( 150) = ( -0.4818182 -0.6054954 0.2311121), wk = 0.0038314 k( 151) = ( -0.4727273 -0.5940710 0.2267515), wk = 0.0038314 k( 152) = ( -0.4636364 -0.5826465 0.2223909), wk = 0.0038314 k( 153) = ( -0.4545455 -0.5712221 0.2180303), wk = 0.0038314 k( 154) = ( -0.4454546 -0.5597976 0.2136697), wk = 0.0038314 k( 155) = ( -0.4363636 -0.5483732 0.2093091), wk = 0.0038314 k( 156) = ( -0.4272727 -0.5369488 0.2049485), wk = 0.0038314 k( 157) = ( -0.4181818 -0.5255243 0.2005879), wk = 0.0038314 k( 158) = ( -0.4090909 -0.5140999 0.1962273), wk = 0.0038314 k( 159) = ( -0.4000000 -0.5026754 0.1918667), wk = 0.0038314 k( 160) = ( -0.3909091 -0.4912510 0.1875061), wk = 0.0038314 k( 161) = ( -0.3818182 -0.4798265 0.1831455), wk = 0.0038314 k( 162) = ( -0.3727273 -0.4684021 0.1787849), wk = 0.0038314 k( 163) = ( -0.3636364 -0.4569777 0.1744242), wk = 0.0038314 k( 164) = ( -0.3545454 -0.4455532 0.1700636), wk = 0.0038314 k( 165) = ( -0.3454546 -0.4341288 0.1657030), wk = 0.0038314 k( 166) = ( -0.3363636 -0.4227043 0.1613424), wk = 0.0038314 k( 167) = ( -0.3272727 -0.4112799 0.1569818), wk = 0.0038314 k( 168) = ( -0.3181818 -0.3998555 0.1526212), wk = 0.0038314 k( 169) = ( -0.3090909 -0.3884310 0.1482606), wk = 0.0038314 k( 170) = ( -0.3000000 -0.3770066 0.1439000), wk = 0.0038314 k( 171) = ( -0.2909091 -0.3655821 0.1395394), wk = 0.0038314 k( 172) = ( -0.2818182 -0.3541577 0.1351788), wk = 0.0038314 k( 173) = ( -0.2727273 -0.3427332 0.1308182), wk = 0.0038314 k( 174) = ( -0.2636364 -0.3313088 0.1264576), wk = 0.0038314 k( 175) = ( -0.2545455 -0.3198844 0.1220970), wk = 0.0038314 k( 176) = ( -0.2454545 -0.3084599 0.1177364), wk = 0.0038314 k( 177) = ( -0.2363636 -0.2970355 0.1133758), wk = 0.0038314 k( 178) = ( -0.2272727 -0.2856110 0.1090152), wk = 0.0038314 k( 179) = ( -0.2181818 -0.2741866 0.1046545), wk = 0.0038314 k( 180) = ( -0.2090909 -0.2627622 0.1002939), wk = 0.0038314 k( 181) = ( -0.2000000 -0.2513377 0.0959333), wk = 0.0038314 k( 182) = ( -0.1909091 -0.2399133 0.0915727), wk = 0.0038314 k( 183) = ( -0.1818182 -0.2284888 0.0872121), wk = 0.0038314 k( 184) = ( -0.1727273 -0.2170644 0.0828515), wk = 0.0038314 k( 185) = ( -0.1636364 -0.2056399 0.0784909), wk = 0.0038314 k( 186) = ( -0.1545455 -0.1942155 0.0741303), wk = 0.0038314 k( 187) = ( -0.1454545 -0.1827911 0.0697697), wk = 0.0038314 k( 188) = ( -0.1363636 -0.1713666 0.0654091), wk = 0.0038314 k( 189) = ( -0.1272727 -0.1599422 0.0610485), wk = 0.0038314 k( 190) = ( -0.1181818 -0.1485177 0.0566879), wk = 0.0038314 k( 191) = ( -0.1090909 -0.1370933 0.0523273), wk = 0.0038314 k( 192) = ( -0.1000000 -0.1256689 0.0479667), wk = 0.0038314 k( 193) = ( -0.0909091 -0.1142444 0.0436061), wk = 0.0038314 k( 194) = ( -0.0818182 -0.1028200 0.0392455), wk = 0.0038314 k( 195) = ( -0.0727273 -0.0913955 0.0348848), wk = 0.0038314 k( 196) = ( -0.0636364 -0.0799711 0.0305242), wk = 0.0038314 k( 197) = ( -0.0545455 -0.0685466 0.0261636), wk = 0.0038314 k( 198) = ( -0.0454546 -0.0571222 0.0218030), wk = 0.0038314 k( 199) = ( -0.0363636 -0.0456978 0.0174424), wk = 0.0038314 k( 200) = ( -0.0272727 -0.0342733 0.0130818), wk = 0.0038314 k( 201) = ( -0.0181818 -0.0228489 0.0087212), wk = 0.0038314 k( 202) = ( -0.0090909 -0.0114244 0.0043606), wk = 0.0038314 k( 203) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038314 k( 204) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038314 k( 205) = ( 0.0000000 0.0000000 0.0150739), wk = 0.0038314 k( 206) = ( 0.0000000 0.0000000 0.0301477), wk = 0.0038314 k( 207) = ( 0.0000000 0.0000000 0.0452216), wk = 0.0038314 k( 208) = ( 0.0000000 0.0000000 0.0602954), wk = 0.0038314 k( 209) = ( 0.0000000 0.0000000 0.0753693), wk = 0.0038314 k( 210) = ( 0.0000000 0.0000000 0.0904432), wk = 0.0038314 k( 211) = ( 0.0000000 0.0000000 0.1055170), wk = 0.0038314 k( 212) = ( 0.0000000 0.0000000 0.1205909), wk = 0.0038314 k( 213) = ( 0.0000000 0.0000000 0.1356648), wk = 0.0038314 k( 214) = ( 0.0000000 0.0000000 0.1507386), wk = 0.0038314 k( 215) = ( 0.0000000 0.0000000 0.1658125), wk = 0.0038314 k( 216) = ( 0.0000000 0.0000000 0.1808863), wk = 0.0038314 k( 217) = ( 0.0000000 0.0000000 0.1959602), wk = 0.0038314 k( 218) = ( 0.0000000 0.0000000 0.2110341), wk = 0.0038314 k( 219) = ( 0.0000000 0.0000000 0.2261079), wk = 0.0038314 k( 220) = ( 0.0000000 0.0000000 0.2411818), wk = 0.0038314 k( 221) = ( 0.0000000 0.0000000 0.2562557), wk = 0.0038314 k( 222) = ( 0.0000000 0.0000000 0.2713295), wk = 0.0038314 k( 223) = ( 0.0000000 0.0000000 0.2864034), wk = 0.0038314 k( 224) = ( 0.0000000 0.0000000 0.3014772), wk = 0.0038314 k( 225) = ( 0.0000000 -0.4645326 0.2786697), wk = 0.0038314 k( 226) = ( 0.0000000 -0.4516290 0.2709289), wk = 0.0038314 k( 227) = ( 0.0000000 -0.4387253 0.2631880), wk = 0.0038314 k( 228) = ( 0.0000000 -0.4258216 0.2554472), wk = 0.0038314 k( 229) = ( 0.0000000 -0.4129179 0.2477064), wk = 0.0038314 k( 230) = ( 0.0000000 -0.4000142 0.2399656), wk = 0.0038314 k( 231) = ( 0.0000000 -0.3871105 0.2322247), wk = 0.0038314 k( 232) = ( 0.0000000 -0.3742069 0.2244839), wk = 0.0038314 k( 233) = ( 0.0000000 -0.3613032 0.2167431), wk = 0.0038314 k( 234) = ( 0.0000000 -0.3483995 0.2090023), wk = 0.0038314 k( 235) = ( 0.0000000 -0.3354958 0.2012614), wk = 0.0038314 k( 236) = ( 0.0000000 -0.3225921 0.1935206), wk = 0.0038314 k( 237) = ( 0.0000000 -0.3096884 0.1857798), wk = 0.0038314 k( 238) = ( 0.0000000 -0.2967847 0.1780390), wk = 0.0038314 k( 239) = ( 0.0000000 -0.2838811 0.1702981), wk = 0.0038314 k( 240) = ( 0.0000000 -0.2709774 0.1625573), wk = 0.0038314 k( 241) = ( 0.0000000 -0.2580737 0.1548165), wk = 0.0038314 k( 242) = ( 0.0000000 -0.2451700 0.1470757), wk = 0.0038314 k( 243) = ( 0.0000000 -0.2322663 0.1393348), wk = 0.0038314 k( 244) = ( 0.0000000 -0.2193626 0.1315940), wk = 0.0038314 k( 245) = ( 0.0000000 -0.2064590 0.1238532), wk = 0.0038314 k( 246) = ( 0.0000000 -0.1935553 0.1161124), wk = 0.0038314 k( 247) = ( 0.0000000 -0.1806516 0.1083715), wk = 0.0038314 k( 248) = ( 0.0000000 -0.1677479 0.1006307), wk = 0.0038314 k( 249) = ( 0.0000000 -0.1548442 0.0928899), wk = 0.0038314 k( 250) = ( 0.0000000 -0.1419405 0.0851491), wk = 0.0038314 k( 251) = ( 0.0000000 -0.1290368 0.0774082), wk = 0.0038314 k( 252) = ( 0.0000000 -0.1161332 0.0696674), wk = 0.0038314 k( 253) = ( 0.0000000 -0.1032295 0.0619266), wk = 0.0038314 k( 254) = ( 0.0000000 -0.0903258 0.0541858), wk = 0.0038314 k( 255) = ( 0.0000000 -0.0774221 0.0464449), wk = 0.0038314 k( 256) = ( 0.0000000 -0.0645184 0.0387041), wk = 0.0038314 k( 257) = ( 0.0000000 -0.0516147 0.0309633), wk = 0.0038314 k( 258) = ( 0.0000000 -0.0387111 0.0232225), wk = 0.0038314 k( 259) = ( 0.0000000 -0.0258074 0.0154817), wk = 0.0038314 k( 260) = ( 0.0000000 -0.0129037 0.0077408), wk = 0.0038314 k( 261) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038314 cryst. coord. k( 1) = ( 0.0000000 -0.5000000 0.0000000), wk = 0.0038314 k( 2) = ( 0.0000000 -0.4838710 -0.0000000), wk = 0.0038314 k( 3) = ( 0.0000000 -0.4677419 0.0000000), wk = 0.0038314 k( 4) = ( 0.0000000 -0.4516129 0.0000000), wk = 0.0038314 k( 5) = ( 0.0000000 -0.4354839 0.0000000), wk = 0.0038314 k( 6) = ( 0.0000000 -0.4193548 0.0000000), wk = 0.0038314 k( 7) = ( 0.0000000 -0.4032258 -0.0000000), wk = 0.0038314 k( 8) = ( 0.0000000 -0.3870968 0.0000000), wk = 0.0038314 k( 9) = ( 0.0000000 -0.3709677 0.0000000), wk = 0.0038314 k( 10) = ( 0.0000000 -0.3548387 -0.0000000), wk = 0.0038314 k( 11) = ( 0.0000000 -0.3387097 -0.0000000), wk = 0.0038314 k( 12) = ( 0.0000000 -0.3225807 0.0000000), wk = 0.0038314 k( 13) = ( 0.0000000 -0.3064516 -0.0000000), wk = 0.0038314 k( 14) = ( 0.0000000 -0.2903226 0.0000000), wk = 0.0038314 k( 15) = ( 0.0000000 -0.2741936 0.0000000), wk = 0.0038314 k( 16) = ( 0.0000000 -0.2580645 0.0000000), wk = 0.0038314 k( 17) = ( 0.0000000 -0.2419355 0.0000000), wk = 0.0038314 k( 18) = ( 0.0000000 -0.2258064 0.0000000), wk = 0.0038314 k( 19) = ( 0.0000000 -0.2096774 0.0000000), wk = 0.0038314 k( 20) = ( 0.0000000 -0.1935484 -0.0000000), wk = 0.0038314 k( 21) = ( 0.0000000 -0.1774193 -0.0000000), wk = 0.0038314 k( 22) = ( 0.0000000 -0.1612903 -0.0000000), wk = 0.0038314 k( 23) = ( 0.0000000 -0.1451613 0.0000000), wk = 0.0038314 k( 24) = ( 0.0000000 -0.1290323 0.0000000), wk = 0.0038314 k( 25) = ( 0.0000000 -0.1129032 0.0000000), wk = 0.0038314 k( 26) = ( 0.0000000 -0.0967742 -0.0000000), wk = 0.0038314 k( 27) = ( 0.0000000 -0.0806452 -0.0000000), wk = 0.0038314 k( 28) = ( 0.0000000 -0.0645161 0.0000000), wk = 0.0038314 k( 29) = ( 0.0000000 -0.0483871 0.0000000), wk = 0.0038314 k( 30) = ( 0.0000000 -0.0322581 0.0000000), wk = 0.0038314 k( 31) = ( 0.0000000 -0.0161290 0.0000000), wk = 0.0038314 k( 32) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038314 k( 33) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038314 k( 34) = ( 0.0142857 0.0000000 0.0000000), wk = 0.0038314 k( 35) = ( 0.0285714 0.0000000 0.0000000), wk = 0.0038314 k( 36) = ( 0.0428571 0.0000000 -0.0000000), wk = 0.0038314 k( 37) = ( 0.0571429 0.0000000 0.0000000), wk = 0.0038314 k( 38) = ( 0.0714286 0.0000000 -0.0000000), wk = 0.0038314 k( 39) = ( 0.0857143 0.0000000 0.0000000), wk = 0.0038314 k( 40) = ( 0.1000000 0.0000000 0.0000000), wk = 0.0038314 k( 41) = ( 0.1142857 0.0000000 0.0000000), wk = 0.0038314 k( 42) = ( 0.1285714 0.0000000 0.0000000), wk = 0.0038314 k( 43) = ( 0.1428571 0.0000000 -0.0000000), wk = 0.0038314 k( 44) = ( 0.1571429 0.0000000 0.0000000), wk = 0.0038314 k( 45) = ( 0.1714286 0.0000000 0.0000000), wk = 0.0038314 k( 46) = ( 0.1857143 0.0000000 0.0000000), wk = 0.0038314 k( 47) = ( 0.2000000 0.0000000 0.0000000), wk = 0.0038314 k( 48) = ( 0.2142857 0.0000000 0.0000000), wk = 0.0038314 k( 49) = ( 0.2285714 0.0000000 0.0000000), wk = 0.0038314 k( 50) = ( 0.2428571 0.0000000 0.0000000), wk = 0.0038314 k( 51) = ( 0.2571429 0.0000000 0.0000000), wk = 0.0038314 k( 52) = ( 0.2714286 0.0000000 0.0000000), wk = 0.0038314 k( 53) = ( 0.2857143 0.0000000 0.0000000), wk = 0.0038314 k( 54) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0038314 k( 55) = ( 0.3142857 0.0000000 0.0000000), wk = 0.0038314 k( 56) = ( 0.3285714 0.0000000 0.0000000), wk = 0.0038314 k( 57) = ( 0.3428571 0.0000000 0.0000000), wk = 0.0038314 k( 58) = ( 0.3571429 0.0000000 0.0000000), wk = 0.0038314 k( 59) = ( 0.3714286 0.0000000 0.0000000), wk = 0.0038314 k( 60) = ( 0.3857143 0.0000000 0.0000000), wk = 0.0038314 k( 61) = ( 0.4000000 0.0000000 0.0000000), wk = 0.0038314 k( 62) = ( 0.4142857 0.0000000 0.0000000), wk = 0.0038314 k( 63) = ( 0.4285714 0.0000000 0.0000000), wk = 0.0038314 k( 64) = ( 0.4428571 0.0000000 0.0000000), wk = 0.0038314 k( 65) = ( 0.4571429 0.0000000 0.0000000), wk = 0.0038314 k( 66) = ( 0.4714286 0.0000000 0.0000000), wk = 0.0038314 k( 67) = ( 0.4857143 0.0000000 -0.0000000), wk = 0.0038314 k( 68) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0038314 k( 69) = ( 0.5000000 -0.5000000 0.0000000), wk = 0.0038314 k( 70) = ( 0.4868421 -0.4868421 0.0000000), wk = 0.0038314 k( 71) = ( 0.4736842 -0.4736842 0.0000000), wk = 0.0038314 k( 72) = ( 0.4605263 -0.4605263 0.0000000), wk = 0.0038314 k( 73) = ( 0.4473684 -0.4473684 -0.0000000), wk = 0.0038314 k( 74) = ( 0.4342105 -0.4342105 0.0000000), wk = 0.0038314 k( 75) = ( 0.4210526 -0.4210526 0.0000000), wk = 0.0038314 k( 76) = ( 0.4078947 -0.4078947 0.0000000), wk = 0.0038314 k( 77) = ( 0.3947368 -0.3947368 -0.0000000), wk = 0.0038314 k( 78) = ( 0.3815789 -0.3815789 0.0000000), wk = 0.0038314 k( 79) = ( 0.3684211 -0.3684210 -0.0000000), wk = 0.0038314 k( 80) = ( 0.3552632 -0.3552632 0.0000000), wk = 0.0038314 k( 81) = ( 0.3421053 -0.3421053 0.0000000), wk = 0.0038314 k( 82) = ( 0.3289474 -0.3289474 0.0000000), wk = 0.0038314 k( 83) = ( 0.3157895 -0.3157895 0.0000000), wk = 0.0038314 k( 84) = ( 0.3026316 -0.3026316 0.0000000), wk = 0.0038314 k( 85) = ( 0.2894737 -0.2894737 -0.0000000), wk = 0.0038314 k( 86) = ( 0.2763158 -0.2763158 0.0000000), wk = 0.0038314 k( 87) = ( 0.2631579 -0.2631579 -0.0000000), wk = 0.0038314 k( 88) = ( 0.2500000 -0.2500000 0.0000000), wk = 0.0038314 k( 89) = ( 0.2368421 -0.2368421 0.0000000), wk = 0.0038314 k( 90) = ( 0.2236842 -0.2236842 -0.0000000), wk = 0.0038314 k( 91) = ( 0.2105263 -0.2105263 0.0000000), wk = 0.0038314 k( 92) = ( 0.1973684 -0.1973684 -0.0000000), wk = 0.0038314 k( 93) = ( 0.1842105 -0.1842105 0.0000000), wk = 0.0038314 k( 94) = ( 0.1710526 -0.1710526 0.0000000), wk = 0.0038314 k( 95) = ( 0.1578947 -0.1578947 0.0000000), wk = 0.0038314 k( 96) = ( 0.1447368 -0.1447368 -0.0000000), wk = 0.0038314 k( 97) = ( 0.1315790 -0.1315790 0.0000000), wk = 0.0038314 k( 98) = ( 0.1184210 -0.1184210 -0.0000000), wk = 0.0038314 k( 99) = ( 0.1052632 -0.1052632 0.0000000), wk = 0.0038314 k( 100) = ( 0.0921053 -0.0921053 -0.0000000), wk = 0.0038314 k( 101) = ( 0.0789474 -0.0789474 0.0000000), wk = 0.0038314 k( 102) = ( 0.0657895 -0.0657895 0.0000000), wk = 0.0038314 k( 103) = ( 0.0526316 -0.0526316 0.0000000), wk = 0.0038314 k( 104) = ( 0.0394737 -0.0394737 0.0000000), wk = 0.0038314 k( 105) = ( 0.0263158 -0.0263158 0.0000000), wk = 0.0038314 k( 106) = ( 0.0131579 -0.0131579 -0.0000000), wk = 0.0038314 k( 107) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038314 k( 108) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038314 k( 109) = ( -0.0128205 0.0000000 0.0128205), wk = 0.0038314 k( 110) = ( -0.0256410 -0.0000000 0.0256410), wk = 0.0038314 k( 111) = ( -0.0384615 -0.0000000 0.0384615), wk = 0.0038314 k( 112) = ( -0.0512821 -0.0000000 0.0512820), wk = 0.0038314 k( 113) = ( -0.0641026 0.0000000 0.0641026), wk = 0.0038314 k( 114) = ( -0.0769231 -0.0000000 0.0769231), wk = 0.0038314 k( 115) = ( -0.0897436 0.0000000 0.0897436), wk = 0.0038314 k( 116) = ( -0.1025641 -0.0000000 0.1025641), wk = 0.0038314 k( 117) = ( -0.1153846 -0.0000000 0.1153846), wk = 0.0038314 k( 118) = ( -0.1282051 -0.0000000 0.1282051), wk = 0.0038314 k( 119) = ( -0.1410256 -0.0000000 0.1410256), wk = 0.0038314 k( 120) = ( -0.1538461 -0.0000000 0.1538461), wk = 0.0038314 k( 121) = ( -0.1666667 0.0000000 0.1666667), wk = 0.0038314 k( 122) = ( -0.1794872 0.0000000 0.1794872), wk = 0.0038314 k( 123) = ( -0.1923077 -0.0000000 0.1923077), wk = 0.0038314 k( 124) = ( -0.2051282 0.0000000 0.2051282), wk = 0.0038314 k( 125) = ( -0.2179487 -0.0000000 0.2179487), wk = 0.0038314 k( 126) = ( -0.2307692 -0.0000000 0.2307692), wk = 0.0038314 k( 127) = ( -0.2435897 -0.0000000 0.2435897), wk = 0.0038314 k( 128) = ( -0.2564103 -0.0000000 0.2564103), wk = 0.0038314 k( 129) = ( -0.2692308 0.0000000 0.2692308), wk = 0.0038314 k( 130) = ( -0.2820513 -0.0000000 0.2820513), wk = 0.0038314 k( 131) = ( -0.2948718 -0.0000000 0.2948718), wk = 0.0038314 k( 132) = ( -0.3076923 -0.0000000 0.3076923), wk = 0.0038314 k( 133) = ( -0.3205128 0.0000000 0.3205128), wk = 0.0038314 k( 134) = ( -0.3333333 -0.0000000 0.3333333), wk = 0.0038314 k( 135) = ( -0.3461538 -0.0000000 0.3461538), wk = 0.0038314 k( 136) = ( -0.3589744 0.0000000 0.3589744), wk = 0.0038314 k( 137) = ( -0.3717949 -0.0000000 0.3717949), wk = 0.0038314 k( 138) = ( -0.3846154 -0.0000000 0.3846154), wk = 0.0038314 k( 139) = ( -0.3974359 -0.0000000 0.3974359), wk = 0.0038314 k( 140) = ( -0.4102564 0.0000000 0.4102564), wk = 0.0038314 k( 141) = ( -0.4230769 -0.0000000 0.4230769), wk = 0.0038314 k( 142) = ( -0.4358974 -0.0000000 0.4358974), wk = 0.0038314 k( 143) = ( -0.4487179 -0.0000000 0.4487180), wk = 0.0038314 k( 144) = ( -0.4615385 -0.0000000 0.4615385), wk = 0.0038314 k( 145) = ( -0.4743590 0.0000000 0.4743590), wk = 0.0038314 k( 146) = ( -0.4871795 0.0000000 0.4871795), wk = 0.0038314 k( 147) = ( -0.5000000 -0.0000000 0.5000000), wk = 0.0038314 k( 148) = ( -0.5000000 -0.5000000 0.5000000), wk = 0.0038314 k( 149) = ( -0.4909091 -0.4909091 0.4909091), wk = 0.0038314 k( 150) = ( -0.4818182 -0.4818182 0.4818182), wk = 0.0038314 k( 151) = ( -0.4727273 -0.4727273 0.4727273), wk = 0.0038314 k( 152) = ( -0.4636364 -0.4636364 0.4636364), wk = 0.0038314 k( 153) = ( -0.4545455 -0.4545455 0.4545455), wk = 0.0038314 k( 154) = ( -0.4454546 -0.4454546 0.4454546), wk = 0.0038314 k( 155) = ( -0.4363636 -0.4363636 0.4363636), wk = 0.0038314 k( 156) = ( -0.4272727 -0.4272727 0.4272727), wk = 0.0038314 k( 157) = ( -0.4181818 -0.4181818 0.4181818), wk = 0.0038314 k( 158) = ( -0.4090909 -0.4090909 0.4090909), wk = 0.0038314 k( 159) = ( -0.4000000 -0.4000000 0.4000000), wk = 0.0038314 k( 160) = ( -0.3909091 -0.3909091 0.3909091), wk = 0.0038314 k( 161) = ( -0.3818182 -0.3818182 0.3818182), wk = 0.0038314 k( 162) = ( -0.3727273 -0.3727273 0.3727273), wk = 0.0038314 k( 163) = ( -0.3636364 -0.3636364 0.3636364), wk = 0.0038314 k( 164) = ( -0.3545454 -0.3545454 0.3545454), wk = 0.0038314 k( 165) = ( -0.3454546 -0.3454546 0.3454546), wk = 0.0038314 k( 166) = ( -0.3363636 -0.3363636 0.3363636), wk = 0.0038314 k( 167) = ( -0.3272727 -0.3272727 0.3272727), wk = 0.0038314 k( 168) = ( -0.3181818 -0.3181818 0.3181818), wk = 0.0038314 k( 169) = ( -0.3090909 -0.3090909 0.3090909), wk = 0.0038314 k( 170) = ( -0.3000000 -0.3000000 0.3000000), wk = 0.0038314 k( 171) = ( -0.2909091 -0.2909091 0.2909091), wk = 0.0038314 k( 172) = ( -0.2818182 -0.2818182 0.2818182), wk = 0.0038314 k( 173) = ( -0.2727273 -0.2727273 0.2727273), wk = 0.0038314 k( 174) = ( -0.2636364 -0.2636364 0.2636364), wk = 0.0038314 k( 175) = ( -0.2545455 -0.2545455 0.2545455), wk = 0.0038314 k( 176) = ( -0.2454545 -0.2454545 0.2454545), wk = 0.0038314 k( 177) = ( -0.2363636 -0.2363636 0.2363636), wk = 0.0038314 k( 178) = ( -0.2272727 -0.2272727 0.2272727), wk = 0.0038314 k( 179) = ( -0.2181818 -0.2181818 0.2181818), wk = 0.0038314 k( 180) = ( -0.2090909 -0.2090909 0.2090909), wk = 0.0038314 k( 181) = ( -0.2000000 -0.2000000 0.2000000), wk = 0.0038314 k( 182) = ( -0.1909091 -0.1909091 0.1909091), wk = 0.0038314 k( 183) = ( -0.1818182 -0.1818182 0.1818182), wk = 0.0038314 k( 184) = ( -0.1727273 -0.1727273 0.1727273), wk = 0.0038314 k( 185) = ( -0.1636364 -0.1636364 0.1636364), wk = 0.0038314 k( 186) = ( -0.1545455 -0.1545454 0.1545454), wk = 0.0038314 k( 187) = ( -0.1454545 -0.1454545 0.1454545), wk = 0.0038314 k( 188) = ( -0.1363636 -0.1363636 0.1363636), wk = 0.0038314 k( 189) = ( -0.1272727 -0.1272727 0.1272727), wk = 0.0038314 k( 190) = ( -0.1181818 -0.1181818 0.1181818), wk = 0.0038314 k( 191) = ( -0.1090909 -0.1090909 0.1090909), wk = 0.0038314 k( 192) = ( -0.1000000 -0.1000000 0.1000000), wk = 0.0038314 k( 193) = ( -0.0909091 -0.0909091 0.0909091), wk = 0.0038314 k( 194) = ( -0.0818182 -0.0818182 0.0818182), wk = 0.0038314 k( 195) = ( -0.0727273 -0.0727273 0.0727273), wk = 0.0038314 k( 196) = ( -0.0636364 -0.0636364 0.0636364), wk = 0.0038314 k( 197) = ( -0.0545455 -0.0545455 0.0545455), wk = 0.0038314 k( 198) = ( -0.0454546 -0.0454545 0.0454546), wk = 0.0038314 k( 199) = ( -0.0363636 -0.0363636 0.0363636), wk = 0.0038314 k( 200) = ( -0.0272727 -0.0272727 0.0272727), wk = 0.0038314 k( 201) = ( -0.0181818 -0.0181818 0.0181818), wk = 0.0038314 k( 202) = ( -0.0090909 -0.0090909 0.0090909), wk = 0.0038314 k( 203) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038314 k( 204) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038314 k( 205) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0038314 k( 206) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0038314 k( 207) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0038314 k( 208) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0038314 k( 209) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0038314 k( 210) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0038314 k( 211) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0038314 k( 212) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0038314 k( 213) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0038314 k( 214) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0038314 k( 215) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0038314 k( 216) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0038314 k( 217) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0038314 k( 218) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0038314 k( 219) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0038314 k( 220) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0038314 k( 221) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0038314 k( 222) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0038314 k( 223) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0038314 k( 224) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0038314 k( 225) = ( 0.0000000 -0.5000000 0.5000000), wk = 0.0038314 k( 226) = ( 0.0000000 -0.4861111 0.4861111), wk = 0.0038314 k( 227) = ( 0.0000000 -0.4722222 0.4722222), wk = 0.0038314 k( 228) = ( 0.0000000 -0.4583333 0.4583333), wk = 0.0038314 k( 229) = ( 0.0000000 -0.4444444 0.4444444), wk = 0.0038314 k( 230) = ( 0.0000000 -0.4305556 0.4305556), wk = 0.0038314 k( 231) = ( 0.0000000 -0.4166667 0.4166667), wk = 0.0038314 k( 232) = ( 0.0000000 -0.4027778 0.4027778), wk = 0.0038314 k( 233) = ( 0.0000000 -0.3888889 0.3888889), wk = 0.0038314 k( 234) = ( 0.0000000 -0.3750000 0.3750000), wk = 0.0038314 k( 235) = ( 0.0000000 -0.3611111 0.3611111), wk = 0.0038314 k( 236) = ( 0.0000000 -0.3472222 0.3472222), wk = 0.0038314 k( 237) = ( 0.0000000 -0.3333333 0.3333333), wk = 0.0038314 k( 238) = ( 0.0000000 -0.3194444 0.3194444), wk = 0.0038314 k( 239) = ( 0.0000000 -0.3055556 0.3055556), wk = 0.0038314 k( 240) = ( 0.0000000 -0.2916667 0.2916667), wk = 0.0038314 k( 241) = ( 0.0000000 -0.2777778 0.2777778), wk = 0.0038314 k( 242) = ( 0.0000000 -0.2638889 0.2638889), wk = 0.0038314 k( 243) = ( 0.0000000 -0.2500000 0.2500000), wk = 0.0038314 k( 244) = ( 0.0000000 -0.2361111 0.2361111), wk = 0.0038314 k( 245) = ( 0.0000000 -0.2222222 0.2222222), wk = 0.0038314 k( 246) = ( 0.0000000 -0.2083333 0.2083333), wk = 0.0038314 k( 247) = ( 0.0000000 -0.1944444 0.1944444), wk = 0.0038314 k( 248) = ( 0.0000000 -0.1805556 0.1805556), wk = 0.0038314 k( 249) = ( 0.0000000 -0.1666667 0.1666667), wk = 0.0038314 k( 250) = ( 0.0000000 -0.1527778 0.1527778), wk = 0.0038314 k( 251) = ( 0.0000000 -0.1388889 0.1388889), wk = 0.0038314 k( 252) = ( 0.0000000 -0.1250000 0.1250000), wk = 0.0038314 k( 253) = ( 0.0000000 -0.1111111 0.1111111), wk = 0.0038314 k( 254) = ( 0.0000000 -0.0972222 0.0972222), wk = 0.0038314 k( 255) = ( 0.0000000 -0.0833333 0.0833333), wk = 0.0038314 k( 256) = ( 0.0000000 -0.0694444 0.0694444), wk = 0.0038314 k( 257) = ( 0.0000000 -0.0555556 0.0555556), wk = 0.0038314 k( 258) = ( 0.0000000 -0.0416667 0.0416667), wk = 0.0038314 k( 259) = ( 0.0000000 -0.0277778 0.0277778), wk = 0.0038314 k( 260) = ( 0.0000000 -0.0138889 0.0138889), wk = 0.0038314 k( 261) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038314 Dense grid: 207793 G-vectors FFT dimensions: ( 64, 72, 108) Smooth grid: 53833 G-vectors FFT dimensions: ( 40, 45, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.33 Mb ( 282, 76) NL pseudopotentials 0.88 Mb ( 141, 408) Each V/rho on FFT grid 0.21 Mb ( 13824) Each G-vector array 0.03 Mb ( 4332) G-vector shells 0.03 Mb ( 4282) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.31 Mb ( 282, 304) Each subspace H/S matrix 1.41 Mb ( 304, 304) Each matrix 0.95 Mb ( 408, 2, 76) The potential is recalculated from file : ./Si3P2Pt.save/charge-density.dat Starting wfc are 116 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 48.6 secs Computing kpt #: 2 total cpu time spent up to now is 56.1 secs Computing kpt #: 3 total cpu time spent up to now is 63.5 secs Computing kpt #: 4 total cpu time spent up to now is 70.8 secs Computing kpt #: 5 total cpu time spent up to now is 78.3 secs Computing kpt #: 6 total cpu time spent up to now is 85.6 secs Computing kpt #: 7 total cpu time spent up to now is 93.2 secs Computing kpt #: 8 total cpu time spent up to now is 100.6 secs Computing kpt #: 9 total cpu time spent up to now is 108.0 secs Computing kpt #: 10 total cpu time spent up to now is 115.6 secs Computing kpt #: 11 total cpu time spent up to now is 122.9 secs Computing kpt #: 12 total cpu time spent up to now is 130.6 secs Computing kpt #: 13 total cpu time spent up to now is 138.2 secs Computing kpt #: 14 total cpu time spent up to now is 145.6 secs Computing kpt #: 15 total cpu time spent up to now is 152.9 secs Computing kpt #: 16 total cpu time spent up to now is 160.1 secs Computing kpt #: 17 total cpu time spent up to now is 167.2 secs Computing kpt #: 18 total cpu time spent up to now is 174.3 secs Computing kpt #: 19 total cpu time spent up to now is 181.3 secs Computing kpt #: 20 total cpu time spent up to now is 188.2 secs Computing kpt #: 21 total cpu time spent up to now is 195.4 secs Computing kpt #: 22 total cpu time spent up to now is 202.5 secs Computing kpt #: 23 total cpu time spent up to now is 209.9 secs Computing kpt #: 24 total cpu time spent up to now is 217.3 secs Computing kpt #: 25 total cpu time spent up to now is 225.3 secs Computing kpt #: 26 total cpu time spent up to now is 233.2 secs Computing kpt #: 27 total cpu time spent up to now is 241.1 secs Computing kpt #: 28 total cpu time spent up to now is 248.9 secs Computing kpt #: 29 total cpu time spent up to now is 256.8 secs Computing kpt #: 30 total cpu time spent up to now is 264.2 secs Computing kpt #: 31 total cpu time spent up to now is 272.0 secs Computing kpt #: 32 total cpu time spent up to now is 279.7 secs Computing kpt #: 33 total cpu time spent up to now is 287.1 secs Computing kpt #: 34 total cpu time spent up to now is 294.6 secs Computing kpt #: 35 total cpu time spent up to now is 302.9 secs Computing kpt #: 36 total cpu time spent up to now is 312.2 secs Computing kpt #: 37 total cpu time spent up to now is 319.8 secs Computing kpt #: 38 total cpu time spent up to now is 327.3 secs Computing kpt #: 39 total cpu time spent up to now is 334.7 secs Computing kpt #: 40 total cpu time spent up to now is 342.3 secs Computing kpt #: 41 total cpu time spent up to now is 349.5 secs Computing kpt #: 42 total cpu time spent up to now is 356.6 secs Computing kpt #: 43 total cpu time spent up to now is 363.8 secs Computing kpt #: 44 total cpu time spent up to now is 371.1 secs Computing kpt #: 45 total cpu time spent up to now is 378.3 secs Computing kpt #: 46 total cpu time spent up to now is 385.5 secs Computing kpt #: 47 total cpu time spent up to now is 392.7 secs Computing kpt #: 48 total cpu time spent up to now is 399.9 secs Computing kpt #: 49 total cpu time spent up to now is 407.2 secs Computing kpt #: 50 total cpu time spent up to now is 414.8 secs Computing kpt #: 51 total cpu time spent up to now is 422.5 secs Computing kpt #: 52 total cpu time spent up to now is 430.2 secs Computing kpt #: 53 total cpu time spent up to now is 438.2 secs Computing kpt #: 54 total cpu time spent up to now is 446.0 secs Computing kpt #: 55 total cpu time spent up to now is 454.0 secs Computing kpt #: 56 total cpu time spent up to now is 461.9 secs Computing kpt #: 57 total cpu time spent up to now is 469.8 secs Computing kpt #: 58 total cpu time spent up to now is 477.3 secs Computing kpt #: 59 total cpu time spent up to now is 484.7 secs Computing kpt #: 60 total cpu time spent up to now is 492.1 secs Computing kpt #: 61 total cpu time spent up to now is 499.3 secs Computing kpt #: 62 total cpu time spent up to now is 506.4 secs Computing kpt #: 63 total cpu time spent up to now is 513.5 secs Computing kpt #: 64 total cpu time spent up to now is 520.5 secs Computing kpt #: 65 total cpu time spent up to now is 527.4 secs Computing kpt #: 66 total cpu time spent up to now is 534.5 secs Computing kpt #: 67 total cpu time spent up to now is 541.4 secs Computing kpt #: 68 total cpu time spent up to now is 548.4 secs Computing kpt #: 69 total cpu time spent up to now is 556.4 secs Computing kpt #: 70 total cpu time spent up to now is 564.9 secs Computing kpt #: 71 total cpu time spent up to now is 573.3 secs Computing kpt #: 72 total cpu time spent up to now is 581.5 secs Computing kpt #: 73 total cpu time spent up to now is 589.8 secs Computing kpt #: 74 total cpu time spent up to now is 598.1 secs Computing kpt #: 75 total cpu time spent up to now is 608.5 secs Computing kpt #: 76 total cpu time spent up to now is 616.6 secs Computing kpt #: 77 total cpu time spent up to now is 624.7 secs Computing kpt #: 78 total cpu time spent up to now is 632.7 secs Computing kpt #: 79 total cpu time spent up to now is 640.6 secs Computing kpt #: 80 total cpu time spent up to now is 648.5 secs Computing kpt #: 81 total cpu time spent up to now is 656.2 secs Computing kpt #: 82 total cpu time spent up to now is 664.1 secs Computing kpt #: 83 total cpu time spent up to now is 671.4 secs Computing kpt #: 84 total cpu time spent up to now is 678.7 secs Computing kpt #: 85 total cpu time spent up to now is 686.0 secs Computing kpt #: 86 total cpu time spent up to now is 693.3 secs Computing kpt #: 87 total cpu time spent up to now is 701.1 secs Computing kpt #: 88 total cpu time spent up to now is 709.1 secs Computing kpt #: 89 total cpu time spent up to now is 717.5 secs Computing kpt #: 90 total cpu time spent up to now is 725.6 secs Computing kpt #: 91 total cpu time spent up to now is 733.7 secs Computing kpt #: 92 total cpu time spent up to now is 741.8 secs Computing kpt #: 93 total cpu time spent up to now is 749.9 secs Computing kpt #: 94 total cpu time spent up to now is 757.9 secs Computing kpt #: 95 total cpu time spent up to now is 766.0 secs Computing kpt #: 96 total cpu time spent up to now is 773.9 secs Computing kpt #: 97 total cpu time spent up to now is 781.7 secs Computing kpt #: 98 total cpu time spent up to now is 789.3 secs Computing kpt #: 99 total cpu time spent up to now is 796.9 secs Computing kpt #: 100 total cpu time spent up to now is 804.4 secs Computing kpt #: 101 total cpu time spent up to now is 812.0 secs Computing kpt #: 102 total cpu time spent up to now is 819.6 secs Computing kpt #: 103 total cpu time spent up to now is 827.1 secs Computing kpt #: 104 total cpu time spent up to now is 834.6 secs Computing kpt #: 105 total cpu time spent up to now is 842.1 secs Computing kpt #: 106 total cpu time spent up to now is 849.5 secs Computing kpt #: 107 total cpu time spent up to now is 856.8 secs Computing kpt #: 108 total cpu time spent up to now is 864.2 secs Computing kpt #: 109 total cpu time spent up to now is 871.7 secs Computing kpt #: 110 total cpu time spent up to now is 879.1 secs Computing kpt #: 111 total cpu time spent up to now is 886.5 secs Computing kpt #: 112 total cpu time spent up to now is 893.9 secs Computing kpt #: 113 total cpu time spent up to now is 901.5 secs Computing kpt #: 114 total cpu time spent up to now is 909.1 secs Computing kpt #: 115 total cpu time spent up to now is 916.5 secs Computing kpt #: 116 total cpu time spent up to now is 924.4 secs Computing kpt #: 117 total cpu time spent up to now is 932.0 secs Computing kpt #: 118 total cpu time spent up to now is 939.8 secs Computing kpt #: 119 total cpu time spent up to now is 947.7 secs Computing kpt #: 120 total cpu time spent up to now is 955.7 secs Computing kpt #: 121 total cpu time spent up to now is 963.5 secs Computing kpt #: 122 total cpu time spent up to now is 971.0 secs Computing kpt #: 123 total cpu time spent up to now is 978.4 secs Computing kpt #: 124 total cpu time spent up to now is 985.8 secs Computing kpt #: 125 total cpu time spent up to now is 993.7 secs Computing kpt #: 126 total cpu time spent up to now is 1001.5 secs Computing kpt #: 127 total cpu time spent up to now is 1009.3 secs Computing kpt #: 128 total cpu time spent up to now is 1017.1 secs Computing kpt #: 129 total cpu time spent up to now is 1024.9 secs Computing kpt #: 130 total cpu time spent up to now is 1032.7 secs Computing kpt #: 131 total cpu time spent up to now is 1040.6 secs Computing kpt #: 132 total cpu time spent up to now is 1048.5 secs Computing kpt #: 133 total cpu time spent up to now is 1056.3 secs Computing kpt #: 134 total cpu time spent up to now is 1064.0 secs Computing kpt #: 135 total cpu time spent up to now is 1071.8 secs Computing kpt #: 136 total cpu time spent up to now is 1079.6 secs Computing kpt #: 137 total cpu time spent up to now is 1087.4 secs Computing kpt #: 138 total cpu time spent up to now is 1095.2 secs Computing kpt #: 139 total cpu time spent up to now is 1103.1 secs Computing kpt #: 140 total cpu time spent up to now is 1110.9 secs Computing kpt #: 141 total cpu time spent up to now is 1118.6 secs Computing kpt #: 142 total cpu time spent up to now is 1126.4 secs Computing kpt #: 143 total cpu time spent up to now is 1134.2 secs Computing kpt #: 144 total cpu time spent up to now is 1141.9 secs Computing kpt #: 145 total cpu time spent up to now is 1149.6 secs Computing kpt #: 146 total cpu time spent up to now is 1157.3 secs Computing kpt #: 147 total cpu time spent up to now is 1164.7 secs Computing kpt #: 148 total cpu time spent up to now is 1172.1 secs Computing kpt #: 149 total cpu time spent up to now is 1179.3 secs Computing kpt #: 150 total cpu time spent up to now is 1186.8 secs Computing kpt #: 151 total cpu time spent up to now is 1194.1 secs Computing kpt #: 152 total cpu time spent up to now is 1201.6 secs Computing kpt #: 153 total cpu time spent up to now is 1211.1 secs Computing kpt #: 154 total cpu time spent up to now is 1218.8 secs Computing kpt #: 155 total cpu time spent up to now is 1226.7 secs Computing kpt #: 156 total cpu time spent up to now is 1234.0 secs Computing kpt #: 157 total cpu time spent up to now is 1241.6 secs Computing kpt #: 158 total cpu time spent up to now is 1249.4 secs Computing kpt #: 159 total cpu time spent up to now is 1256.7 secs Computing kpt #: 160 total cpu time spent up to now is 1264.0 secs Computing kpt #: 161 total cpu time spent up to now is 1271.4 secs Computing kpt #: 162 total cpu time spent up to now is 1278.8 secs Computing kpt #: 163 total cpu time spent up to now is 1286.3 secs Computing kpt #: 164 total cpu time spent up to now is 1293.9 secs Computing kpt #: 165 total cpu time spent up to now is 1301.7 secs Computing kpt #: 166 total cpu time spent up to now is 1309.7 secs Computing kpt #: 167 total cpu time spent up to now is 1317.6 secs Computing kpt #: 168 total cpu time spent up to now is 1325.5 secs Computing kpt #: 169 total cpu time spent up to now is 1332.8 secs Computing kpt #: 170 total cpu time spent up to now is 1340.7 secs Computing kpt #: 171 total cpu time spent up to now is 1348.6 secs Computing kpt #: 172 total cpu time spent up to now is 1356.8 secs Computing kpt #: 173 total cpu time spent up to now is 1365.1 secs Computing kpt #: 174 total cpu time spent up to now is 1373.1 secs Computing kpt #: 175 total cpu time spent up to now is 1380.8 secs Computing kpt #: 176 total cpu time spent up to now is 1388.6 secs Computing kpt #: 177 total cpu time spent up to now is 1396.3 secs Computing kpt #: 178 total cpu time spent up to now is 1404.0 secs Computing kpt #: 179 total cpu time spent up to now is 1411.5 secs Computing kpt #: 180 total cpu time spent up to now is 1419.4 secs Computing kpt #: 181 total cpu time spent up to now is 1426.6 secs Computing kpt #: 182 total cpu time spent up to now is 1433.7 secs Computing kpt #: 183 total cpu time spent up to now is 1440.8 secs Computing kpt #: 184 total cpu time spent up to now is 1447.8 secs Computing kpt #: 185 total cpu time spent up to now is 1454.9 secs Computing kpt #: 186 total cpu time spent up to now is 1462.0 secs Computing kpt #: 187 total cpu time spent up to now is 1469.1 secs Computing kpt #: 188 total cpu time spent up to now is 1476.4 secs Computing kpt #: 189 total cpu time spent up to now is 1483.6 secs Computing kpt #: 190 total cpu time spent up to now is 1490.8 secs Computing kpt #: 191 total cpu time spent up to now is 1498.2 secs Computing kpt #: 192 total cpu time spent up to now is 1507.8 secs Computing kpt #: 193 total cpu time spent up to now is 1515.2 secs Computing kpt #: 194 total cpu time spent up to now is 1522.6 secs Computing kpt #: 195 total cpu time spent up to now is 1530.1 secs Computing kpt #: 196 total cpu time spent up to now is 1537.9 secs Computing kpt #: 197 total cpu time spent up to now is 1545.4 secs Computing kpt #: 198 total cpu time spent up to now is 1552.8 secs Computing kpt #: 199 total cpu time spent up to now is 1560.6 secs Computing kpt #: 200 total cpu time spent up to now is 1568.4 secs Computing kpt #: 201 total cpu time spent up to now is 1576.3 secs Computing kpt #: 202 total cpu time spent up to now is 1583.8 secs Computing kpt #: 203 total cpu time spent up to now is 1591.5 secs Computing kpt #: 204 total cpu time spent up to now is 1598.8 secs Computing kpt #: 205 total cpu time spent up to now is 1606.3 secs Computing kpt #: 206 total cpu time spent up to now is 1613.8 secs Computing kpt #: 207 total cpu time spent up to now is 1621.6 secs Computing kpt #: 208 total cpu time spent up to now is 1629.5 secs Computing kpt #: 209 total cpu time spent up to now is 1637.7 secs Computing kpt #: 210 total cpu time spent up to now is 1645.7 secs Computing kpt #: 211 total cpu time spent up to now is 1653.6 secs Computing kpt #: 212 total cpu time spent up to now is 1661.3 secs Computing kpt #: 213 total cpu time spent up to now is 1669.2 secs Computing kpt #: 214 total cpu time spent up to now is 1677.1 secs Computing kpt #: 215 total cpu time spent up to now is 1685.0 secs Computing kpt #: 216 total cpu time spent up to now is 1693.2 secs Computing kpt #: 217 total cpu time spent up to now is 1701.2 secs Computing kpt #: 218 total cpu time spent up to now is 1709.1 secs Computing kpt #: 219 total cpu time spent up to now is 1716.9 secs Computing kpt #: 220 total cpu time spent up to now is 1724.6 secs Computing kpt #: 221 total cpu time spent up to now is 1733.5 secs Computing kpt #: 222 total cpu time spent up to now is 1742.4 secs Computing kpt #: 223 total cpu time spent up to now is 1751.2 secs Computing kpt #: 224 total cpu time spent up to now is 1759.0 secs Computing kpt #: 225 total cpu time spent up to now is 1766.1 secs Computing kpt #: 226 total cpu time spent up to now is 1773.4 secs Computing kpt #: 227 total cpu time spent up to now is 1780.8 secs Computing kpt #: 228 total cpu time spent up to now is 1787.9 secs Computing kpt #: 229 total cpu time spent up to now is 1795.2 secs Computing kpt #: 230 total cpu time spent up to now is 1803.9 secs Computing kpt #: 231 total cpu time spent up to now is 1811.6 secs Computing kpt #: 232 total cpu time spent up to now is 1819.9 secs Computing kpt #: 233 total cpu time spent up to now is 1827.7 secs Computing kpt #: 234 total cpu time spent up to now is 1835.5 secs Computing kpt #: 235 total cpu time spent up to now is 1842.8 secs Computing kpt #: 236 total cpu time spent up to now is 1850.3 secs Computing kpt #: 237 total cpu time spent up to now is 1857.9 secs Computing kpt #: 238 total cpu time spent up to now is 1865.9 secs Computing kpt #: 239 total cpu time spent up to now is 1874.3 secs Computing kpt #: 240 total cpu time spent up to now is 1882.7 secs Computing kpt #: 241 total cpu time spent up to now is 1890.7 secs Computing kpt #: 242 total cpu time spent up to now is 1898.4 secs Computing kpt #: 243 total cpu time spent up to now is 1905.8 secs Computing kpt #: 244 total cpu time spent up to now is 1913.1 secs Computing kpt #: 245 total cpu time spent up to now is 1920.4 secs Computing kpt #: 246 total cpu time spent up to now is 1928.2 secs Computing kpt #: 247 total cpu time spent up to now is 1936.3 secs Computing kpt #: 248 total cpu time spent up to now is 1944.2 secs Computing kpt #: 249 total cpu time spent up to now is 1952.1 secs Computing kpt #: 250 total cpu time spent up to now is 1959.9 secs Computing kpt #: 251 total cpu time spent up to now is 1967.8 secs Computing kpt #: 252 total cpu time spent up to now is 1975.8 secs Computing kpt #: 253 total cpu time spent up to now is 1983.3 secs Computing kpt #: 254 total cpu time spent up to now is 1990.9 secs Computing kpt #: 255 total cpu time spent up to now is 1998.6 secs Computing kpt #: 256 total cpu time spent up to now is 2006.1 secs Computing kpt #: 257 total cpu time spent up to now is 2014.0 secs Computing kpt #: 258 total cpu time spent up to now is 2021.5 secs Computing kpt #: 259 total cpu time spent up to now is 2028.9 secs Computing kpt #: 260 total cpu time spent up to now is 2036.4 secs Computing kpt #: 261 total cpu time spent up to now is 2043.7 secs ethr = 1.56E-11, avg # of iterations = 42.1 total cpu time spent up to now is 2043.9 secs End of band structure calculation k = 0.0000-0.4645-0.0228 ( 6742 PWs) bands (ev): -3.6252 -3.6252 -2.9339 -2.9339 -2.1191 -2.1191 -1.8596 -1.8596 -0.4417 -0.4417 0.5997 0.5997 1.4102 1.4102 1.8778 1.8778 2.8507 2.8507 2.9613 2.9613 3.3900 3.3900 3.5840 3.5840 4.3476 4.3476 4.4915 4.4915 4.6108 4.6108 4.9040 4.9040 5.0983 5.0983 5.2065 5.2065 5.4256 5.4256 5.6586 5.6586 5.8638 5.8638 5.9402 5.9402 6.0348 6.0348 6.2741 6.2741 7.0717 7.0717 7.1603 7.1603 7.4137 7.4137 7.7137 7.7137 8.0166 8.0166 8.3206 8.3206 8.4698 8.4698 9.2547 9.2547 10.7284 10.7284 10.8959 10.8959 11.3598 11.3598 11.4704 11.4704 11.6525 11.6525 11.6798 11.6798 k = 0.0000-0.4495-0.0221 ( 6744 PWs) bands (ev): -3.6313 -3.6308 -2.9273 -2.9266 -2.1212 -2.1203 -1.8605 -1.8601 -0.4400 -0.4376 0.6011 0.6023 1.4108 1.4125 1.8773 1.8795 2.8457 2.8519 2.9568 2.9641 3.3886 3.3938 3.5818 3.5895 4.3333 4.3541 4.4798 4.5061 4.6003 4.6168 4.8940 4.9185 5.0877 5.1035 5.1932 5.2197 5.4111 5.4339 5.6547 5.6656 5.8591 5.8652 5.9286 5.9496 6.0313 6.0537 6.2681 6.2795 7.0575 7.0764 7.1472 7.1660 7.4073 7.4139 7.7046 7.7186 7.9991 8.0270 8.2943 8.3390 8.4591 8.4898 9.2450 9.2602 10.7303 10.7400 10.8777 10.9043 11.3229 11.3952 11.4461 11.4873 11.6204 11.6417 11.7035 11.7169 k = 0.0000-0.4346-0.0213 ( 6749 PWs) bands (ev): -3.6481 -3.6472 -2.9076 -2.9061 -2.1264 -2.1246 -1.8626 -1.8619 -0.4325 -0.4277 0.6066 0.6091 1.4141 1.4176 1.8779 1.8823 2.8372 2.8492 2.9510 2.9651 3.3896 3.3999 3.5830 3.5982 4.3144 4.3503 4.4732 4.5180 4.5892 4.6172 4.8890 4.9356 5.0739 5.1013 5.1812 5.2316 5.3925 5.4351 5.6554 5.6737 5.8512 5.8632 5.9169 5.9541 6.0445 6.0854 6.2613 6.2849 7.0345 7.0696 7.1285 7.1637 7.3957 7.4081 7.6917 7.7193 7.9757 8.0285 8.2650 8.3444 8.4614 8.5155 9.2313 9.2617 10.7440 10.7637 10.8531 10.9023 11.2921 11.4102 11.4317 11.4881 11.5945 11.6276 11.7499 11.7677 k = 0.0000-0.4196-0.0206 ( 6757 PWs) bands (ev): -3.6740 -3.6728 -2.8765 -2.8746 -2.1344 -2.1320 -1.8658 -1.8650 -0.4192 -0.4123 0.6162 0.6198 1.4201 1.4254 1.8796 1.8862 2.8258 2.8425 2.9443 2.9640 3.3931 3.4081 3.5873 3.6100 4.2930 4.3371 4.4691 4.5193 4.5847 4.6138 4.8886 4.9534 5.0587 5.0906 5.1714 5.2423 5.3719 5.4311 5.6600 5.6808 5.8404 5.8576 5.9053 5.9560 6.0696 6.1276 6.2546 6.2926 7.0029 7.0478 7.1075 7.1537 7.3804 7.3978 7.6758 7.7163 7.9469 8.0189 8.2362 8.3375 8.4746 8.5436 9.2137 9.2594 10.7622 10.7881 10.8354 10.8950 11.2723 11.3875 11.4387 11.4768 11.5788 11.6294 11.8034 11.8235 k = 0.0000-0.4046-0.0199 ( 6757 PWs) bands (ev): -3.7067 -3.7053 -2.8367 -2.8342 -2.1451 -2.1421 -1.8701 -1.8690 -0.4006 -0.3915 0.6297 0.6343 1.4288 1.4358 1.8823 1.8911 2.8117 2.8321 2.9370 2.9610 3.3990 3.4184 3.5948 3.6249 4.2705 4.3176 4.4615 4.5078 4.5878 4.6109 4.8906 4.9699 5.0435 5.0737 5.1625 5.2520 5.3507 5.4253 5.6660 5.6861 5.8270 5.8478 5.8949 5.9573 6.0989 6.1755 6.2514 6.3062 6.9630 7.0104 7.0855 7.1369 7.3623 7.3848 7.6574 7.7104 7.9128 7.9976 8.2103 8.3240 8.4913 8.5703 9.1929 9.2534 10.7594 10.7857 10.8609 10.9010 11.2639 11.3632 11.4224 11.4708 11.5751 11.6414 11.8614 11.8806 k = 0.0000-0.3896-0.0191 ( 6757 PWs) bands (ev): -3.7441 -3.7426 -2.7903 -2.7875 -2.1579 -2.1544 -1.8750 -1.8738 -0.3769 -0.3658 0.6471 0.6527 1.4398 1.4485 1.8858 1.8968 2.7955 2.8182 2.9295 2.9563 3.4072 3.4303 3.6053 3.6427 4.2475 4.2948 4.4461 4.4894 4.5899 4.6135 4.8927 4.9828 5.0286 5.0549 5.1528 5.2605 5.3302 5.4206 5.6699 5.6894 5.8106 5.8351 5.8870 5.9582 6.1250 6.2103 6.2682 6.3312 6.9154 6.9612 7.0601 7.1141 7.3421 7.3709 7.6371 7.7020 7.8742 7.9661 8.1882 8.3080 8.5056 8.5915 9.1696 9.2435 10.7312 10.7708 10.9070 10.9373 11.2640 11.3417 11.3943 11.4661 11.5838 11.6578 11.9199 11.9360 k = 0.0000-0.3746-0.0184 ( 6754 PWs) bands (ev): -3.7846 -3.7830 -2.7397 -2.7367 -2.1723 -2.1686 -1.8802 -1.8789 -0.3485 -0.3357 0.6682 0.6746 1.4529 1.4632 1.8899 1.9031 2.7774 2.8013 2.9226 2.9506 3.4174 3.4438 3.6185 3.6632 4.2246 4.2702 4.4235 4.4674 4.5888 4.6190 4.8930 4.9897 5.0124 5.0403 5.1414 5.2638 5.3149 5.4183 5.6680 5.6917 5.7900 5.8242 5.8798 5.9594 6.1426 6.2152 6.3196 6.3715 6.8615 6.9046 7.0301 7.0860 7.3201 7.3566 7.6145 7.6909 7.8330 7.9283 8.1687 8.2911 8.5140 8.6035 9.1443 9.2290 10.7030 10.7497 10.9593 10.9902 11.2670 11.3235 11.3668 11.4620 11.6009 11.6767 11.9757 11.9884 k = 0.0000-0.3596-0.0177 ( 6751 PWs) bands (ev): -3.8269 -3.8252 -2.6870 -2.6836 -2.1877 -2.1839 -1.8852 -1.8838 -0.3159 -0.3015 0.6928 0.6998 1.4678 1.4798 1.8943 1.9096 2.7579 2.7818 2.9169 2.9447 3.4292 3.4585 3.6343 3.6862 4.2020 4.2445 4.3969 4.4426 4.5856 4.6225 4.8903 4.9854 4.9963 5.0337 5.1289 5.2525 5.3145 5.4181 5.6585 5.6925 5.7670 5.8174 5.8717 5.9611 6.1520 6.2119 6.3810 6.4250 6.8036 6.8445 6.9958 7.0531 7.2969 7.3420 7.5889 7.6756 7.7933 7.8892 8.1499 8.2736 8.5145 8.6041 9.1171 9.2086 10.6832 10.7339 11.0138 11.0455 11.2655 11.3073 11.3494 11.4623 11.6227 11.6979 12.0270 12.0377 k = 0.0000-0.3447-0.0169 ( 6743 PWs) bands (ev): -3.8699 -3.8683 -2.6340 -2.6304 -2.2032 -2.1996 -1.8891 -1.8876 -0.2797 -0.2639 0.7209 0.7283 1.4842 1.4977 1.8987 1.9160 2.7373 2.7603 2.9131 2.9396 3.4422 3.4740 3.6523 3.7116 4.1797 4.2181 4.3687 4.4161 4.5793 4.6221 4.8839 4.9648 4.9888 5.0301 5.1164 5.2296 5.3257 5.4190 5.6418 5.6898 5.7466 5.8127 5.8629 5.9632 6.1568 6.2081 6.4408 6.4842 6.7453 6.7856 6.9586 7.0164 7.2731 7.3271 7.5590 7.6521 7.7608 7.8530 8.1303 8.2550 8.5069 8.5929 9.0872 9.1810 10.6759 10.7301 11.0658 11.0946 11.2562 11.2874 11.3524 11.4690 11.6477 11.7215 12.0729 12.0847 k = 0.0000-0.3297-0.0162 ( 6742 PWs) bands (ev): -3.9131 -3.9114 -2.5833 -2.5791 -2.2180 -2.2146 -1.8911 -1.8894 -0.2402 -0.2232 0.7520 0.7596 1.5018 1.5167 1.9025 1.9218 2.7161 2.7375 2.9120 2.9362 3.4561 3.4900 3.6724 3.7392 4.1578 4.1912 4.3404 4.3894 4.5691 4.6173 4.8739 4.9404 4.9801 5.0224 5.1054 5.2029 5.3407 5.4194 5.6198 5.6795 5.7357 5.8062 5.8556 5.9648 6.1605 6.2055 6.4864 6.5372 6.6950 6.7369 6.9215 6.9780 7.2493 7.3118 7.5242 7.6178 7.7399 7.8231 8.1086 8.2345 8.4915 8.5718 9.0538 9.1453 10.6827 10.7407 11.1074 11.1317 11.2396 11.2740 11.3706 11.4822 11.6755 11.7478 12.1138 12.1288 k = 0.0000-0.3147-0.0155 ( 6735 PWs) bands (ev): -3.9558 -3.9542 -2.5375 -2.5324 -2.2311 -2.2272 -1.8899 -1.8878 -0.1981 -0.1802 0.7861 0.7937 1.5201 1.5363 1.9052 1.9265 2.6948 2.7142 2.9143 2.9357 3.4705 3.5063 3.6939 3.7684 4.1362 4.1641 4.3130 4.3640 4.5544 4.6084 4.8602 4.9149 4.9676 5.0058 5.0973 5.1761 5.3558 5.4181 5.5939 5.6629 5.7356 5.7954 5.8521 5.9650 6.1647 6.2049 6.4931 6.5607 6.6693 6.7197 6.8896 6.9428 7.2267 7.2961 7.4848 7.5751 7.7290 7.8010 8.0843 8.2113 8.4695 8.5439 9.0162 9.1015 10.7031 10.7653 11.1213 11.1624 11.2169 11.2798 11.3970 11.5008 11.7065 11.7772 12.1495 12.1685 k = 0.0000-0.2997-0.0147 ( 6732 PWs) bands (ev): -3.9977 -3.9961 -2.5001 -2.4934 -2.2413 -2.2358 -1.8836 -1.8810 -0.1539 -0.1352 0.8227 0.8301 1.5389 1.5561 1.9061 1.9293 2.6740 2.6914 2.9207 2.9391 3.4852 3.5226 3.7163 3.7989 4.1144 4.1378 4.2871 4.3409 4.5352 4.5959 4.8422 4.8887 4.9499 4.9791 5.0908 5.1514 5.3693 5.4143 5.5646 5.6466 5.7403 5.7828 5.8519 5.9633 6.1696 6.2064 6.4562 6.5337 6.6740 6.7337 6.8706 6.9219 7.2071 7.2806 7.4432 7.5282 7.7241 7.7863 8.0573 8.1847 8.4419 8.5129 8.9747 9.0506 10.7343 10.8004 11.1096 11.1660 11.2172 11.2981 11.4279 11.5225 11.7413 11.8098 12.1788 12.2013 k = 0.0000-0.2847-0.0140 ( 6732 PWs) bands (ev): -4.0384 -4.0369 -2.4740 -2.4652 -2.2469 -2.2392 -1.8705 -1.8671 -0.1081 -0.0888 0.8614 0.8684 1.5578 1.5759 1.9046 1.9299 2.6544 2.6696 2.9319 2.9472 3.4998 3.5388 3.7388 3.8298 4.0914 4.1141 4.2630 4.3208 4.5117 4.5803 4.8188 4.8613 4.9264 4.9450 5.0828 5.1290 5.3800 5.4091 5.5327 5.6322 5.7419 5.7762 5.8535 5.9601 6.1741 6.2085 6.4026 6.4848 6.6717 6.7383 6.8728 6.9269 7.1943 7.2669 7.4031 7.4801 7.7224 7.7779 8.0283 8.1541 8.4102 8.4816 8.9303 8.9946 10.7706 10.8391 11.0862 11.1388 11.2461 11.3225 11.4604 11.5453 11.7799 11.8453 12.2009 12.2257 k = 0.0000-0.2697-0.0132 ( 6730 PWs) bands (ev): -4.0778 -4.0764 -2.4607 -2.4500 -2.2476 -2.2378 -1.8486 -1.8445 -0.0611 -0.0414 0.9018 0.9082 1.5766 1.5953 1.9004 1.9278 2.6364 2.6497 2.9483 2.9609 3.5142 3.5547 3.7603 3.8600 4.0663 4.0953 4.2412 4.3042 4.4839 4.5621 4.7884 4.8313 4.8962 4.9107 5.0700 5.1080 5.3865 5.4038 5.5014 5.6168 5.7370 5.7777 5.8575 5.9571 6.1751 6.2064 6.3517 6.4339 6.6523 6.7177 6.8892 6.9449 7.1942 7.2595 7.3698 7.4329 7.7219 7.7741 7.9990 8.1199 8.3765 8.4513 8.8846 8.9359 10.8040 10.8702 11.0589 11.1115 11.2816 11.3533 11.4928 11.5680 11.8213 11.8823 12.2173 12.2426 k = 0.0000-0.2547-0.0125 ( 6730 PWs) bands (ev): -4.1156 -4.1143 -2.4585 -2.4467 -2.2453 -2.2343 -1.8170 -1.8121 -0.0134 0.0064 0.9428 0.9491 1.5951 1.6143 1.8932 1.9229 2.6204 2.6321 2.9705 2.9810 3.5282 3.5703 3.7794 3.8873 4.0411 4.0825 4.2218 4.2912 4.4517 4.5415 4.7499 4.7950 4.8633 4.8816 5.0505 5.0865 5.3864 5.3983 5.4773 5.5972 5.7316 5.7773 5.8654 5.9571 6.1667 6.1915 6.3189 6.3886 6.6266 6.6860 6.8948 6.9505 7.2092 7.2650 7.3508 7.3897 7.7211 7.7734 7.9714 8.0830 8.3428 8.4219 8.8391 8.8768 10.8227 10.8804 11.0336 11.0944 11.3272 11.3938 11.5247 11.5905 11.8633 11.9186 12.2312 12.2554 k = 0.0000-0.2398-0.0118 ( 6733 PWs) bands (ev): -4.1518 -4.1506 -2.4643 -2.4521 -2.2428 -2.2317 -1.7758 -1.7703 0.0344 0.0542 0.9835 0.9902 1.6135 1.6327 1.8833 1.9155 2.6065 2.6169 2.9987 3.0079 3.5417 3.5855 3.7948 3.9078 4.0193 4.0762 4.2051 4.2819 4.4149 4.5185 4.7034 4.7513 4.8354 4.8557 5.0241 5.0625 5.3720 5.3964 5.4663 5.5733 5.7260 5.7691 5.8771 5.9627 6.1357 6.1689 6.3086 6.3548 6.6020 6.6535 6.8782 6.9312 7.2263 7.2803 7.3488 7.3691 7.7186 7.7741 7.9484 8.0452 8.3105 8.3929 8.7949 8.8199 10.8154 10.8631 11.0185 11.0874 11.3878 11.4461 11.5570 11.6139 11.9035 11.9520 12.2465 12.2682 k = 0.0000-0.2248-0.0110 ( 6728 PWs) bands (ev): -4.1861 -4.1850 -2.4748 -2.4630 -2.2424 -2.2316 -1.7264 -1.7204 0.0821 0.1016 1.0224 1.0305 1.6319 1.6510 1.8714 1.9064 2.5946 2.6043 3.0329 3.0417 3.5544 3.6001 3.8052 3.9153 4.0060 4.0774 4.1914 4.2759 4.3737 4.4928 4.6499 4.7045 4.8120 4.8327 4.9924 5.0353 5.3469 5.3971 5.4657 5.5478 5.7168 5.7529 5.8894 5.9744 6.0886 6.1434 6.3049 6.3381 6.5826 6.6242 6.8432 6.8900 7.2267 7.2753 7.3613 7.4080 7.7136 7.7746 7.9324 8.0094 8.2809 8.3638 8.7520 8.7679 10.7827 10.8225 11.0152 11.0824 11.4629 11.5100 11.5908 11.6398 11.9393 11.9802 12.2657 12.2843 k = 0.0000-0.2098-0.0103 ( 6737 PWs) bands (ev): -4.2186 -4.2175 -2.4881 -2.4767 -2.2445 -2.2344 -1.6706 -1.6642 0.1291 0.1482 1.0580 1.0685 1.6509 1.6696 1.8588 1.8966 2.5845 2.5938 3.0729 3.0821 3.5663 3.6142 3.8100 3.9066 4.0037 4.0849 4.1811 4.2719 4.3294 4.4639 4.5929 4.6585 4.7909 4.8126 4.9577 5.0053 5.3197 5.3955 5.4690 5.5246 5.7007 5.7305 5.8985 5.9872 6.0432 6.1149 6.2956 6.3375 6.5697 6.5993 6.7976 6.8361 7.2142 7.2477 7.4074 7.4655 7.7068 7.7740 7.9232 7.9800 8.2544 8.3345 8.7090 8.7245 10.7340 10.7677 11.0156 11.0740 11.5444 11.5827 11.6280 11.6727 11.9690 12.0023 12.2901 12.3057 k = 0.0000-0.1948-0.0096 ( 6731 PWs) bands (ev): -4.2490 -4.2480 -2.5026 -2.4918 -2.2490 -2.2396 -1.6105 -1.6038 0.1751 0.1937 1.0884 1.1020 1.6714 1.6895 1.8469 1.8872 2.5761 2.5851 3.1183 3.1284 3.5771 3.6274 3.8099 3.8880 4.0064 4.0935 4.1747 4.2623 4.2904 4.4308 4.5371 4.6152 4.7713 4.7950 4.9222 4.9743 5.2937 5.3873 5.4724 5.5073 5.6755 5.7049 5.8988 5.9755 6.0269 6.0923 6.2835 6.3398 6.5624 6.5771 6.7487 6.7797 7.1941 7.2217 7.4581 7.5241 7.7008 7.7730 7.9143 7.9660 8.2318 8.3054 8.6676 8.6890 10.6764 10.7055 11.0138 11.0617 11.6129 11.6590 11.6735 11.7241 11.9920 12.0184 12.3188 12.3328 k = 0.0000-0.1798-0.0088 ( 6729 PWs) bands (ev): -4.2774 -4.2765 -2.5174 -2.5074 -2.2552 -2.2466 -1.5478 -1.5408 0.2199 0.2377 1.1119 1.1286 1.6946 1.7122 1.8372 1.8796 2.5690 2.5780 3.1678 3.1795 3.5865 3.6396 3.8063 3.8662 4.0079 4.0969 4.1683 4.2289 4.2793 4.3932 4.4883 4.5766 4.7535 4.7792 4.8884 4.9445 5.2693 5.3701 5.4738 5.4976 5.6406 5.6790 5.8845 5.9392 6.0373 6.0846 6.2704 6.3371 6.5491 6.5595 6.7035 6.7339 7.1682 7.2022 7.5003 7.5726 7.7000 7.7759 7.8997 7.9736 8.2132 8.2783 8.6311 8.6587 10.6145 10.6398 11.0083 11.0464 11.6609 11.6983 11.7621 11.7984 12.0086 12.0299 12.3496 12.3652 k = 0.0000-0.1648-0.0081 ( 6727 PWs) bands (ev): -4.3037 -4.3028 -2.5321 -2.5228 -2.2625 -2.2547 -1.4840 -1.4769 0.2630 0.2800 1.1267 1.1461 1.7215 1.7387 1.8311 1.8750 2.5631 2.5719 3.2200 3.2340 3.5944 3.6507 3.8008 3.8445 4.0031 4.0913 4.1462 4.2049 4.2753 4.3545 4.4512 4.5450 4.7380 4.7647 4.8583 4.9177 5.2463 5.3453 5.4712 5.4924 5.5979 5.6544 5.8574 5.9015 6.0493 6.0898 6.2565 6.3255 6.5138 6.5478 6.6715 6.7117 7.1409 7.1864 7.5267 7.6029 7.7066 7.7890 7.8861 7.9958 8.1974 8.2563 8.6004 8.6327 10.5507 10.5731 10.9994 11.0291 11.7006 11.7312 11.8545 11.8821 12.0209 12.0390 12.3808 12.4016 k = 0.0000-0.1498-0.0074 ( 6719 PWs) bands (ev): -4.3278 -4.3270 -2.5462 -2.5377 -2.2704 -2.2633 -1.4205 -1.4133 0.3042 0.3203 1.1321 1.1532 1.7520 1.7692 1.8303 1.8750 2.5580 2.5666 3.2728 3.2901 3.6004 3.6600 3.7941 3.8254 3.9856 4.0725 4.1184 4.1885 4.2688 4.3239 4.4276 4.5228 4.7252 4.7517 4.8334 4.8947 5.2240 5.3160 5.4620 5.4866 5.5506 5.6332 5.8243 5.8646 6.0612 6.0965 6.2429 6.3032 6.4715 6.5247 6.6637 6.7113 7.1147 7.1719 7.5367 7.6134 7.7180 7.8077 7.8835 8.0254 8.1833 8.2436 8.5756 8.6109 10.4869 10.5070 10.9877 11.0107 11.7380 11.7642 11.9348 11.9627 12.0331 12.0514 12.4112 12.4405 k = 0.0000-0.1349-0.0066 ( 6723 PWs) bands (ev): -4.3497 -4.3490 -2.5593 -2.5516 -2.2784 -2.2721 -1.3582 -1.3511 0.3433 0.3583 1.1283 1.1497 1.7816 1.8003 1.8394 1.8833 2.5534 2.5619 3.3234 3.3454 3.6039 3.6663 3.7851 3.8131 3.9513 4.0424 4.1018 4.1634 4.2590 4.3081 4.4173 4.5107 4.7157 4.7409 4.8141 4.8759 5.2015 5.2845 5.4421 5.4722 5.5078 5.6176 5.7892 5.8300 6.0706 6.0950 6.2303 6.2722 6.4314 6.4997 6.6743 6.7248 7.0900 7.1582 7.5366 7.6098 7.7306 7.8132 7.9021 8.0555 8.1737 8.2415 8.5567 8.5934 10.4248 10.4428 10.9742 10.9920 11.7745 11.7978 11.9824 12.0151 12.0618 12.0880 12.4403 12.4805 k = 0.0000-0.1199-0.0059 ( 6723 PWs) bands (ev): -4.3694 -4.3688 -2.5715 -2.5646 -2.2863 -2.2807 -1.2985 -1.2915 0.3800 0.3938 1.1166 1.1371 1.8005 1.8223 1.8691 1.9069 2.5493 2.5576 3.3689 3.3965 3.6042 3.6667 3.7742 3.8098 3.9062 4.0116 4.0821 4.1408 4.2473 4.3049 4.4172 4.5071 4.7092 4.7338 4.8002 4.8609 5.1774 5.2519 5.4069 5.4377 5.4862 5.6074 5.7539 5.7989 6.0717 6.0822 6.2131 6.2463 6.4005 6.4815 6.6932 6.7462 7.0671 7.1449 7.5324 7.5992 7.7397 7.8061 7.9335 8.0754 8.1781 8.2476 8.5437 8.5807 10.3657 10.3818 10.9596 10.9737 11.8104 11.8317 11.9952 12.0249 12.1163 12.1492 12.4680 12.5201 k = 0.0000-0.1049-0.0052 ( 6722 PWs) bands (ev): -4.3868 -4.3863 -2.5824 -2.5763 -2.2936 -2.2887 -1.2422 -1.2356 0.4140 0.4265 1.0989 1.1175 1.8097 1.8328 1.9157 1.9468 2.5453 2.5535 3.4058 3.4396 3.6001 3.6564 3.7677 3.8084 3.8666 3.9828 4.0541 4.1286 4.2398 4.3103 4.4227 4.5082 4.7049 4.7316 4.7910 4.8491 5.1494 5.2191 5.3567 5.4023 5.4720 5.5996 5.7205 5.7713 6.0508 6.0665 6.1893 6.2379 6.3816 6.4704 6.7154 6.7723 7.0459 7.1317 7.5278 7.5865 7.7426 7.7955 7.9647 8.0798 8.2004 8.2584 8.5367 8.5732 10.3106 10.3250 10.9447 10.9561 11.8454 11.8652 11.9952 12.0242 12.1664 12.2067 12.4931 12.5545 k = 0.0000-0.0899-0.0044 ( 6717 PWs) bands (ev): -4.4020 -4.4015 -2.5919 -2.5867 -2.3003 -2.2961 -1.1905 -1.1843 0.4450 0.4561 1.0774 1.0936 1.8156 1.8378 1.9690 1.9957 2.5413 2.5493 3.4317 3.4708 3.5902 3.6335 3.7629 3.7991 3.8524 3.9592 4.0282 4.1199 4.2420 4.3240 4.4298 4.5111 4.7006 4.7352 4.7858 4.8399 5.1141 5.1852 5.3041 5.3724 5.4557 5.5896 5.6919 5.7472 6.0187 6.0401 6.1761 6.2351 6.3742 6.4638 6.7385 6.8005 7.0263 7.1182 7.5243 7.5744 7.7396 7.7842 7.9914 8.0769 8.2297 8.2707 8.5359 8.5713 10.2607 10.2734 10.9303 10.9397 11.8789 11.8973 11.9910 12.0211 12.2059 12.2512 12.5118 12.5754 k = 0.0000-0.0749-0.0037 ( 6717 PWs) bands (ev): -4.4148 -4.4145 -2.6001 -2.5957 -2.3062 -2.3027 -1.1443 -1.1388 0.4728 0.4824 1.0545 1.0678 1.8206 1.8404 2.0240 2.0473 2.5371 2.5448 3.4450 3.4862 3.5743 3.6038 3.7485 3.7995 3.8526 3.9425 4.0146 4.1118 4.2549 4.3473 4.4364 4.5143 4.6933 4.7442 4.7837 4.8333 5.0693 5.1450 5.2624 5.3497 5.4362 5.5723 5.6718 5.7267 5.9856 6.0060 6.1740 6.2319 6.3758 6.4593 6.7617 6.8288 7.0087 7.1041 7.5225 7.5639 7.7330 7.7722 8.0128 8.0736 8.2563 8.2822 8.5411 8.5742 10.2169 10.2277 10.9170 10.9248 11.9094 11.9264 11.9852 12.0179 12.2353 12.2822 12.5195 12.5763 k = 0.0000-0.0599-0.0029 ( 6711 PWs) bands (ev): -4.4254 -4.4251 -2.6067 -2.6032 -2.3110 -2.3082 -1.1046 -1.1000 0.4969 0.5050 1.0321 1.0426 1.8251 1.8417 2.0774 2.0974 2.5327 2.5401 3.4453 3.4820 3.5576 3.5772 3.7374 3.8044 3.8523 3.9283 4.0195 4.1052 4.2777 4.3802 4.4414 4.5187 4.6804 4.7562 4.7830 4.8298 5.0163 5.0945 5.2397 5.3357 5.4144 5.5458 5.6615 5.7095 5.9560 5.9730 6.1771 6.2275 6.3831 6.4551 6.7844 6.8547 6.9940 7.0890 7.5226 7.5555 7.7254 7.7595 8.0293 8.0714 8.2763 8.2918 8.5513 8.5806 10.1799 10.1888 10.9054 10.9119 11.9340 11.9507 11.9807 12.0174 12.2573 12.3021 12.5158 12.5617 k = 0.0000-0.0450-0.0022 ( 6705 PWs) bands (ev): -4.4335 -4.4333 -2.6119 -2.6092 -2.3148 -2.3127 -1.0724 -1.0688 0.5170 0.5232 1.0123 1.0200 1.8293 1.8421 2.1258 2.1420 2.5283 2.5349 3.4341 3.4603 3.5468 3.5599 3.7354 3.8014 3.8547 3.9138 4.0367 4.1004 4.3095 4.4182 4.4455 4.5276 4.6608 4.7664 4.7824 4.8302 4.9594 5.0398 5.2342 5.3282 5.3940 5.5131 5.6580 5.6954 5.9324 5.9455 6.1824 6.2220 6.3935 6.4502 6.8064 6.8744 6.9850 7.0727 7.5243 7.5490 7.7189 7.7467 8.0417 8.0700 8.2894 8.2992 8.5643 8.5881 10.1506 10.1575 10.8962 10.9012 11.9483 11.9622 11.9869 12.0213 12.2745 12.3137 12.5056 12.5403 k = 0.0000-0.0300-0.0015 ( 6701 PWs) bands (ev): -4.4394 -4.4392 -2.6154 -2.6137 -2.3175 -2.3161 -1.0485 -1.0460 0.5323 0.5366 0.9969 1.0019 1.8330 1.8418 2.1656 2.1773 2.5244 2.5296 3.4181 3.4337 3.5416 3.5506 3.7404 3.7903 3.8614 3.9005 4.0558 4.0962 4.3479 4.4365 4.4640 4.5446 4.6388 4.7624 4.7865 4.8306 4.9108 4.9892 5.2408 5.3186 5.3844 5.4783 5.6587 5.6840 5.9158 5.9249 6.1887 6.2158 6.4049 6.4440 6.8275 6.8826 6.9861 7.0548 7.5273 7.5438 7.7149 7.7348 8.0510 8.0686 8.2973 8.3038 8.5775 8.5941 10.1296 10.1342 10.8895 10.8930 11.9535 11.9604 12.0043 12.0276 12.2889 12.3185 12.4950 12.5189 k = 0.0000-0.0150-0.0007 ( 6707 PWs) bands (ev): -4.4429 -4.4428 -2.6174 -2.6165 -2.3190 -2.3183 -1.0337 -1.0324 0.5423 0.5444 0.9875 0.9899 1.8362 1.8406 2.1930 2.1993 2.5221 2.5250 3.4059 3.4131 3.5402 3.5449 3.7498 3.7762 3.8697 3.8889 4.0716 4.0910 4.3862 4.4312 4.4938 4.5504 4.6413 4.7345 4.7945 4.8182 4.8971 4.9471 5.2560 5.2999 5.3930 5.4447 5.6620 5.6747 5.9068 5.9115 6.1955 6.2092 6.4164 6.4362 6.8472 6.8780 6.9980 7.0357 7.5310 7.5393 7.7145 7.7248 8.0579 8.0665 8.3022 8.3056 8.5883 8.5968 10.1173 10.1196 10.8858 10.8875 11.9546 11.9574 12.0196 12.0312 12.3013 12.3175 12.4892 12.5016 k = 0.0000 0.0000 0.0000 ( 6705 PWs) bands (ev): -4.4440 -4.4440 -2.6178 -2.6178 -2.3192 -2.3192 -1.0282 -1.0282 0.5464 0.5464 0.9850 0.9850 1.8387 1.8387 2.2048 2.2048 2.5222 2.5222 3.4034 3.4034 3.5415 3.5415 3.7622 3.7622 3.8788 3.8788 4.0831 4.0831 4.4152 4.4152 4.5245 4.5245 4.6856 4.6856 4.8040 4.8040 4.9150 4.9150 5.2770 5.2770 5.4150 5.4150 5.6674 5.6674 5.9055 5.9055 6.2024 6.2024 6.4269 6.4269 6.8647 6.8647 7.0160 7.0160 7.5351 7.5351 7.7178 7.7178 8.0630 8.0630 8.3050 8.3050 8.5950 8.5950 10.1139 10.1139 10.8851 10.8851 11.9554 11.9554 12.0288 12.0288 12.3113 12.3113 12.4912 12.4912 k = 0.0000 0.0000 0.0000 ( 6705 PWs) bands (ev): -4.4440 -4.4440 -2.6178 -2.6178 -2.3192 -2.3192 -1.0282 -1.0282 0.5464 0.5464 0.9850 0.9850 1.8387 1.8387 2.2048 2.2048 2.5222 2.5222 3.4034 3.4034 3.5415 3.5415 3.7622 3.7622 3.8788 3.8788 4.0831 4.0831 4.4152 4.4152 4.5245 4.5245 4.6856 4.6856 4.8040 4.8040 4.9150 4.9150 5.2770 5.2770 5.4150 5.4150 5.6674 5.6674 5.9055 5.9055 6.2024 6.2024 6.4269 6.4269 6.8647 6.8647 7.0160 7.0160 7.5351 7.5351 7.7178 7.7178 8.0630 8.0630 8.3050 8.3050 8.5950 8.5950 10.1139 10.1139 10.8851 10.8851 11.9554 11.9554 12.0288 12.0288 12.3113 12.3113 12.4912 12.4912 k = 0.0143 0.0047 0.0011 ( 6712 PWs) bands (ev): -4.4430 -4.4428 -2.6174 -2.6170 -2.3192 -2.3188 -1.0297 -1.0289 0.5446 0.5465 0.9841 0.9858 1.8334 1.8380 2.1989 2.2061 2.5201 2.5233 3.3972 3.4048 3.5353 3.5551 3.7466 3.7748 3.8647 3.8890 4.0714 4.0912 4.3991 4.4232 4.4977 4.5508 4.6687 4.7038 4.7903 4.8198 4.9086 4.9317 5.2710 5.2914 5.4125 5.4202 5.6618 5.6701 5.8975 5.9175 6.1876 6.2222 6.4074 6.4487 6.8514 6.8757 7.0064 7.0269 7.5248 7.5464 7.7076 7.7324 8.0619 8.0678 8.3018 8.3060 8.5894 8.5947 10.1166 10.1191 10.8889 10.8952 11.9449 11.9560 12.0210 12.0364 12.3009 12.3168 12.4799 12.4961 k = 0.0286 0.0094 0.0022 ( 6706 PWs) bands (ev): -4.4397 -4.4394 -2.6158 -2.6150 -2.3186 -2.3178 -1.0333 -1.0317 0.5410 0.5448 0.9831 0.9864 1.8223 1.8314 2.1887 2.2025 2.5171 2.5231 3.3876 3.4010 3.5363 3.5741 3.7294 3.7828 3.8483 3.8945 4.0573 4.0951 4.3787 4.4157 4.4831 4.5645 4.6600 4.7185 4.7828 4.8340 4.9144 4.9571 5.2734 5.3122 5.4124 5.4290 5.6546 5.6696 5.8946 5.9325 6.1788 6.2457 6.3910 6.4716 6.8368 6.8826 6.9993 7.0378 7.5165 7.5573 7.7027 7.7505 8.0644 8.0760 8.2966 8.3051 8.5783 8.5888 10.1271 10.1321 10.9063 10.9188 11.9259 11.9455 12.0159 12.0410 12.2867 12.3159 12.4626 12.4930 k = 0.0429 0.0140 0.0033 ( 6712 PWs) bands (ev): -4.4342 -4.4337 -2.6131 -2.6119 -2.3175 -2.3164 -1.0391 -1.0367 0.5356 0.5413 0.9820 0.9870 1.8062 1.8193 2.1748 2.1942 2.5129 2.5210 3.3761 3.3930 3.5416 3.5949 3.7124 3.7823 3.8338 3.8956 4.0423 4.0952 4.3551 4.3964 4.4807 4.5608 4.6625 4.7287 4.7810 4.8466 4.9334 4.9892 5.2822 5.3361 5.4159 5.4427 5.6483 5.6671 5.8971 5.9492 6.1768 6.2707 6.3796 6.4948 6.8217 6.8840 6.9957 7.0480 7.5111 7.5670 7.7042 7.7719 8.0701 8.0870 8.2897 8.3027 8.5625 8.5781 10.1453 10.1526 10.9368 10.9551 11.8998 11.9260 12.0130 12.0421 12.2696 12.3084 12.4391 12.4803 k = 0.0571 0.0187 0.0044 ( 6716 PWs) bands (ev): -4.4264 -4.4258 -2.6093 -2.6077 -2.3160 -2.3145 -1.0469 -1.0438 0.5283 0.5358 0.9808 0.9874 1.7860 1.8026 2.1574 2.1813 2.5070 2.5167 3.3629 3.3823 3.5470 3.6120 3.6988 3.7707 3.8252 3.8930 4.0281 4.0926 4.3302 4.3766 4.4805 4.5471 4.6688 4.7376 4.7803 4.8617 4.9627 5.0247 5.2946 5.3584 5.4260 5.4615 5.6454 5.6644 5.9052 5.9672 6.1814 6.2932 6.3759 6.5174 6.8065 6.8794 6.9957 7.0567 7.5093 7.5750 7.7123 7.7965 8.0780 8.1001 8.2817 8.2993 8.5432 8.5637 10.1707 10.1802 10.9793 11.0029 11.8684 11.9007 12.0096 12.0397 12.2503 12.2954 12.4091 12.4577 k = 0.0714 0.0234 0.0055 ( 6718 PWs) bands (ev): -4.4165 -4.4157 -2.6043 -2.6023 -2.3141 -2.3123 -1.0567 -1.0529 0.5190 0.5281 0.9795 0.9875 1.7627 1.7824 2.1372 2.1644 2.4988 2.5096 3.3478 3.3694 3.5487 3.6162 3.6943 3.7547 3.8189 3.8880 4.0161 4.0892 4.3070 4.3593 4.4781 4.5327 4.6727 4.7477 4.7786 4.8806 4.9979 5.0599 5.3088 5.3749 5.4471 5.4830 5.6473 5.6649 5.9197 5.9866 6.1922 6.3078 6.3846 6.5388 6.7918 6.8698 6.9977 7.0630 7.5110 7.5814 7.7267 7.8243 8.0866 8.1142 8.2740 8.2960 8.5218 8.5472 10.2028 10.2147 11.0321 11.0607 11.8341 11.8722 12.0032 12.0336 12.2298 12.2788 12.3733 12.4270 k = 0.0857 0.0281 0.0067 ( 6720 PWs) bands (ev): -4.4043 -4.4033 -2.5982 -2.5959 -2.3120 -2.3099 -1.0684 -1.0639 0.5075 0.5182 0.9780 0.9874 1.7375 1.7599 2.1144 2.1439 2.4878 2.4994 3.3298 3.3539 3.5438 3.6039 3.6954 3.7452 3.8106 3.8828 4.0064 4.0874 4.2880 4.3443 4.4712 4.5244 4.6728 4.7550 4.7819 4.9013 5.0352 5.0911 5.3248 5.3865 5.4787 5.5042 5.6502 5.6745 5.9413 6.0085 6.2084 6.3134 6.4055 6.5580 6.7784 6.8573 6.9999 7.0665 7.5159 7.5869 7.7462 7.8554 8.0938 8.1275 8.2685 8.2938 8.4998 8.5301 10.2413 10.2554 11.0935 11.1266 11.7989 11.8425 11.9923 12.0229 12.2094 12.2612 12.3335 12.3913 k = 0.1000 0.0328 0.0078 ( 6721 PWs) bands (ev): -4.3899 -4.3888 -2.5911 -2.5885 -2.3097 -2.3073 -1.0819 -1.0768 0.4937 0.5057 0.9764 0.9870 1.7116 1.7360 2.0894 2.1204 2.4738 2.4860 3.3080 3.3349 3.5317 3.5811 3.6920 3.7448 3.7999 3.8804 3.9983 4.0893 4.2740 4.3312 4.4599 4.5249 4.6714 4.7531 4.7971 4.9214 5.0717 5.1160 5.3436 5.3976 5.5119 5.5280 5.6518 5.6952 5.9708 6.0344 6.2287 6.3151 6.4324 6.5738 6.7674 6.8440 7.0012 7.0671 7.5229 7.5915 7.7697 7.8897 8.0975 8.1383 8.2679 8.2945 8.4785 8.5146 10.2855 10.3021 11.1611 11.1984 11.7644 11.8134 11.9756 12.0061 12.1911 12.2447 12.2924 12.3538 k = 0.1143 0.0374 0.0089 ( 6728 PWs) bands (ev): -4.3733 -4.3720 -2.5829 -2.5800 -2.3075 -2.3048 -1.0970 -1.0913 0.4775 0.4906 0.9746 0.9862 1.6857 1.7119 2.0627 2.0945 2.4565 2.4695 3.2815 3.3113 3.5140 3.5530 3.6855 3.7427 3.7892 3.8833 3.9908 4.0957 4.2644 4.3199 4.4487 4.5311 4.6721 4.7485 4.8181 4.9389 5.1050 5.1346 5.3651 5.4115 5.5318 5.5662 5.6538 5.7227 6.0078 6.0657 6.2521 6.3170 6.4601 6.5850 6.7600 6.8320 7.0010 7.0650 7.5307 7.5951 7.7958 7.9263 8.0962 8.1452 8.2728 8.3000 8.4596 8.5026 10.3350 10.3542 11.2324 11.2736 11.7322 11.7867 11.9528 11.9830 12.1757 12.2287 12.2544 12.3172 k = 0.1286 0.0421 0.0100 ( 6726 PWs) bands (ev): -4.3546 -4.3532 -2.5739 -2.5707 -2.3054 -2.3026 -1.1135 -1.1074 0.4588 0.4729 0.9726 0.9851 1.6606 1.6882 2.0345 2.0667 2.4361 2.4499 3.2500 3.2823 3.4927 3.5228 3.6777 3.7326 3.7792 3.8913 3.9844 4.1065 4.2573 4.3103 4.4418 4.5385 4.6783 4.7458 4.8405 4.9531 5.1311 5.1507 5.3892 5.4294 5.5460 5.6050 5.6610 5.7540 6.0504 6.1032 6.2767 6.3220 6.4855 6.5906 6.7570 6.8242 6.9993 7.0607 7.5379 7.5970 7.8227 7.9635 8.0911 8.1486 8.2805 8.3125 8.4446 8.4966 10.3891 10.4110 11.3039 11.3490 11.7036 11.7645 11.9242 11.9556 12.1627 12.2024 12.2323 12.2831 k = 0.1429 0.0468 0.0111 ( 6727 PWs) bands (ev): -4.3337 -4.3321 -2.5639 -2.5605 -2.3038 -2.3007 -1.1313 -1.1248 0.4377 0.4524 0.9704 0.9836 1.6369 1.6656 2.0052 2.0375 2.4128 2.4276 3.2137 3.2477 3.4689 3.4925 3.6679 3.7168 3.7691 3.8991 3.9812 4.1208 4.2510 4.3026 4.4418 4.5445 4.6918 4.7481 4.8628 4.9641 5.1444 5.1712 5.4159 5.4507 5.5580 5.6244 5.6884 5.7877 6.0952 6.1472 6.2984 6.3352 6.5058 6.5910 6.7585 6.8230 6.9964 7.0550 7.5433 7.5967 7.8481 7.9959 8.0878 8.1501 8.2880 8.3307 8.4363 8.4984 10.4475 10.4721 11.3719 11.4207 11.6799 11.7487 11.8907 11.9277 12.1488 12.1689 12.2233 12.2527 k = 0.1571 0.0515 0.0122 ( 6735 PWs) bands (ev): -4.3107 -4.3090 -2.5532 -2.5496 -2.3027 -2.2995 -1.1501 -1.1432 0.4141 0.4293 0.9680 0.9817 1.6148 1.6444 1.9753 2.0074 2.3872 2.4029 3.1733 3.2080 3.4432 3.4629 3.6554 3.6984 3.7586 3.9001 3.9849 4.1379 4.2445 4.2970 4.4493 4.5489 4.7102 4.7587 4.8841 4.9726 5.1506 5.1922 5.4456 5.4741 5.5680 5.6249 5.7338 5.8233 6.1384 6.1967 6.3143 6.3601 6.5185 6.5883 6.7646 6.8300 6.9930 7.0487 7.5461 7.5940 7.8694 8.0110 8.0994 8.1514 8.2949 8.3494 8.4394 8.5092 10.5094 10.5367 11.4319 11.4832 11.6625 11.7404 11.8542 11.9043 12.1232 12.1415 12.2151 12.2313 k = 0.1714 0.0562 0.0133 ( 6734 PWs) bands (ev): -4.2857 -4.2837 -2.5419 -2.5381 -2.3025 -2.2991 -1.1696 -1.1624 0.3884 0.4038 0.9654 0.9793 1.5946 1.6248 1.9450 1.9770 2.3597 2.3764 3.1295 3.1642 3.4159 3.4343 3.6397 3.6787 3.7482 3.8917 3.9960 4.1571 4.2378 4.2942 4.4628 4.5536 4.7290 4.7801 4.9039 4.9798 5.1549 5.2104 5.4772 5.4984 5.5762 5.6193 5.7837 5.8603 6.1769 6.2480 6.3308 6.3916 6.5222 6.5857 6.7765 6.8443 6.9895 7.0428 7.5459 7.5887 7.8838 8.0044 8.1293 8.1545 8.3022 8.3638 8.4581 8.5288 10.5744 10.6042 11.4802 11.5302 11.6517 11.7391 11.8172 11.8903 12.0867 12.1109 12.2087 12.2233 k = 0.1857 0.0608 0.0144 ( 6731 PWs) bands (ev): -4.2585 -4.2564 -2.5301 -2.5262 -2.3033 -2.2998 -1.1895 -1.1821 0.3606 0.3761 0.9624 0.9764 1.5761 1.6067 1.9148 1.9467 2.3310 2.3484 3.0833 3.1174 3.3874 3.4068 3.6207 3.6580 3.7380 3.8761 4.0117 4.1773 4.2324 4.2951 4.4802 4.5604 4.7470 4.8103 4.9218 4.9869 5.1595 5.2262 5.5044 5.5259 5.5839 5.6122 5.8341 5.8981 6.2092 6.2944 6.3563 6.4232 6.5179 6.5867 6.7946 6.8636 6.9869 7.0382 7.5429 7.5812 7.8892 7.9870 8.1533 8.1713 8.3116 8.3765 8.4905 8.5564 10.6419 10.6738 11.5157 11.5576 11.6440 11.7391 11.7849 11.8865 12.0476 12.0710 12.2140 12.2217 k = 0.2000 0.0655 0.0155 ( 6734 PWs) bands (ev): -4.2294 -4.2271 -2.5181 -2.5142 -2.3053 -2.3018 -1.2094 -1.2020 0.3311 0.3465 0.9590 0.9729 1.5592 1.5899 1.8852 1.9169 2.3016 2.3195 3.0354 3.0686 3.3579 3.3800 3.5989 3.6364 3.7278 3.8563 4.0295 4.1945 4.2322 4.2998 4.4999 4.5708 4.7656 4.8443 4.9374 4.9950 5.1656 5.2405 5.5190 5.5579 5.5913 5.6097 5.8837 5.9361 6.2344 6.3299 6.3937 6.4506 6.5102 6.5938 6.8183 6.8862 6.9857 7.0361 7.5375 7.5720 7.8850 7.9650 8.1604 8.2039 8.3259 8.3920 8.5316 8.5907 10.7111 10.7447 11.5391 11.5694 11.6338 11.7218 11.7687 11.8837 12.0110 12.0387 12.2241 12.2309 k = 0.2143 0.0702 0.0166 ( 6729 PWs) bands (ev): -4.1982 -4.1958 -2.5063 -2.5024 -2.3087 -2.3051 -1.2289 -1.2216 0.3003 0.3155 0.9551 0.9688 1.5435 1.5742 1.8566 1.8882 2.2720 2.2901 2.9866 3.0187 3.3281 3.3537 3.5745 3.6134 3.7180 3.8346 4.0478 4.2012 4.2446 4.3085 4.5211 4.5854 4.7848 4.8779 4.9510 5.0045 5.1742 5.2539 5.5227 5.5756 5.6068 5.6203 5.9318 5.9738 6.2534 6.3569 6.4283 6.4758 6.5062 6.6080 6.8461 6.9104 6.9866 7.0378 7.5305 7.5616 7.8724 7.9406 8.1671 8.2287 8.3490 8.4121 8.5783 8.6308 10.7815 10.8160 11.5430 11.5745 11.6248 11.6865 11.7574 11.8671 11.9854 12.0355 12.2336 12.2533 k = 0.2286 0.0749 0.0178 ( 6730 PWs) bands (ev): -4.1651 -4.1626 -2.4951 -2.4914 -2.3133 -2.3096 -1.2477 -1.2406 0.2685 0.2834 0.9505 0.9640 1.5287 1.5592 1.8294 1.8610 2.2428 2.2608 2.9373 2.9682 3.2983 3.3276 3.5481 3.5888 3.7090 3.8133 4.0657 4.1998 4.2666 4.3206 4.5435 4.6043 4.8037 4.9087 4.9635 5.0152 5.1858 5.2663 5.5194 5.5730 5.6339 5.6428 5.9779 6.0111 6.2680 6.3750 6.4434 6.4980 6.5239 6.6262 6.8761 6.9345 6.9903 7.0450 7.5225 7.5507 7.8537 7.9152 8.1736 8.2428 8.3816 8.4357 8.6291 8.6757 10.8523 10.8865 11.5168 11.5711 11.6166 11.6595 11.7413 11.8359 11.9858 12.0540 12.2487 12.2791 k = 0.2429 0.0796 0.0189 ( 6728 PWs) bands (ev): -4.1302 -4.1274 -2.4854 -2.4820 -2.3187 -2.3150 -1.2654 -1.2585 0.2360 0.2506 0.9451 0.9584 1.5145 1.5445 1.8041 1.8356 2.2144 2.2319 2.8880 2.9179 3.2686 3.3017 3.5201 3.5624 3.7012 3.7941 4.0825 4.1964 4.2913 4.3357 4.5672 4.6276 4.8210 4.9348 4.9766 5.0262 5.2004 5.2767 5.5134 5.5695 5.6532 5.6748 6.0200 6.0490 6.2801 6.3777 6.4558 6.5057 6.5662 6.6443 6.9055 6.9567 6.9981 7.0593 7.5139 7.5395 7.8320 7.8908 8.1790 8.2490 8.4194 8.4617 8.6825 8.7250 10.9224 10.9549 11.4695 11.5246 11.6102 11.6686 11.7286 11.8089 12.0045 12.0798 12.2690 12.3052 k = 0.2571 0.0842 0.0200 ( 6723 PWs) bands (ev): -4.0934 -4.0905 -2.4784 -2.4755 -2.3243 -2.3204 -1.2816 -1.2750 0.2034 0.2176 0.9389 0.9519 1.5006 1.5298 1.7810 1.8124 2.1872 2.2038 2.8393 2.8681 3.2394 3.2758 3.4910 3.5341 3.6954 3.7785 4.0974 4.1927 4.3164 4.3531 4.5920 4.6548 4.8359 4.9557 4.9914 5.0373 5.2165 5.2838 5.5079 5.5695 5.6703 5.7052 6.0545 6.0893 6.2904 6.3681 6.4738 6.5145 6.6088 6.6603 6.9297 6.9758 7.0128 7.0802 7.5047 7.5282 7.8106 7.8694 8.1827 8.2502 8.4581 8.4892 8.7377 8.7778 10.9895 11.0194 11.4093 11.4521 11.6138 11.6803 11.7296 11.8029 12.0288 12.1048 12.2948 12.3302 k = 0.2714 0.0889 0.0211 ( 6722 PWs) bands (ev): -4.0549 -4.0518 -2.4760 -2.4736 -2.3286 -2.3244 -1.2961 -1.2899 0.1708 0.1845 0.9318 0.9445 1.4868 1.5149 1.7604 1.7916 2.1613 2.1768 2.7914 2.8192 3.2106 3.2499 3.4614 3.5043 3.6921 3.7674 4.1099 4.1891 4.3409 4.3717 4.6173 4.6853 4.8480 4.9727 5.0069 5.0490 5.2316 5.2877 5.5051 5.5751 5.6856 5.7324 6.0789 6.1311 6.2969 6.3588 6.4912 6.5267 6.6448 6.6767 6.9460 6.9921 7.0349 7.1055 7.4946 7.5164 7.7926 7.8539 8.1843 8.2482 8.4941 8.5184 8.7935 8.8331 11.0462 11.0787 11.3416 11.3796 11.6217 11.6771 11.7546 11.8172 12.0514 12.1242 12.3269 12.3557 k = 0.2857 0.0936 0.0222 ( 6722 PWs) bands (ev): -4.0147 -4.0114 -2.4803 -2.4779 -2.3301 -2.3254 -1.3085 -1.3028 0.1386 0.1519 0.9236 0.9361 1.4731 1.4997 1.7426 1.7732 2.1370 2.1511 2.7448 2.7718 3.1823 3.2240 3.4318 3.4736 3.6916 3.7613 4.1198 4.1856 4.3642 4.3907 4.6423 4.7181 4.8579 4.9875 5.0217 5.0623 5.2418 5.2909 5.5061 5.5866 5.6992 5.7561 6.0931 6.1701 6.2947 6.3619 6.5044 6.5422 6.6679 6.7007 6.9561 7.0063 7.0603 7.1318 7.4833 7.5044 7.7806 7.8468 8.1837 8.2437 8.5255 8.5492 8.8490 8.8897 11.0735 11.1312 11.2724 11.3294 11.6355 11.6748 11.7896 11.8433 12.0687 12.1360 12.3644 12.3850 k = 0.3000 0.0983 0.0233 ( 6720 PWs) bands (ev): -3.9729 -3.9695 -2.4925 -2.4896 -2.3276 -2.3223 -1.3188 -1.3135 0.1070 0.1199 0.9145 0.9268 1.4593 1.4842 1.7277 1.7575 2.1143 2.1267 2.6998 2.7260 3.1547 3.1981 3.4029 3.4427 3.6943 3.7601 4.1271 4.1823 4.3857 4.4089 4.6662 4.7511 4.8670 5.0010 5.0356 5.0779 5.2442 5.2975 5.5115 5.6028 5.7117 5.7766 6.0978 6.1978 6.2905 6.3770 6.5138 6.5580 6.6828 6.7297 6.9635 7.0185 7.0840 7.1565 7.4708 7.4930 7.7765 7.8498 8.1814 8.2375 8.5524 8.5802 8.9034 8.9460 11.0544 11.1386 11.2424 11.3190 11.6577 11.6822 11.8260 11.8744 12.0804 12.1419 12.4023 12.4177 k = 0.3143 0.1030 0.0244 ( 6722 PWs) bands (ev): -3.9296 -3.9261 -2.5124 -2.5090 -2.3211 -2.3156 -1.3268 -1.3221 0.0765 0.0888 0.9046 0.9166 1.4456 1.4685 1.7155 1.7442 2.0931 2.1037 2.6569 2.6823 3.1278 3.1721 3.3751 3.4124 3.7003 3.7636 4.1318 4.1792 4.4048 4.4252 4.6876 4.7801 4.8786 5.0137 5.0493 5.0959 5.2419 5.3072 5.5212 5.6214 5.7237 5.7941 6.0949 6.2021 6.3005 6.3956 6.5200 6.5716 6.6986 6.7580 6.9700 7.0281 7.1034 7.1780 7.4579 7.4839 7.7802 7.8629 8.1778 8.2307 8.5764 8.6092 8.9554 9.0003 11.0009 11.0740 11.2787 11.3363 11.6886 11.7027 11.8597 11.9059 12.0885 12.1450 12.4329 12.4472 k = 0.3286 0.1076 0.0255 ( 6723 PWs) bands (ev): -3.8850 -3.8813 -2.5390 -2.5351 -2.3117 -2.3061 -1.3328 -1.3285 0.0471 0.0588 0.8939 0.9056 1.4320 1.4529 1.7061 1.7334 2.0733 2.0820 2.6164 2.6411 3.1018 3.1463 3.3488 3.3833 3.7097 3.7715 4.1341 4.1765 4.4203 4.4389 4.7051 4.7992 4.8975 5.0266 5.0642 5.1159 5.2404 5.3183 5.5346 5.6396 5.7362 5.8089 6.0867 6.1877 6.3208 6.4115 6.5233 6.5812 6.7184 6.7850 6.9758 7.0343 7.1181 7.1966 7.4461 7.4794 7.7900 7.8846 8.1736 8.2248 8.5979 8.6352 9.0041 9.0512 10.9342 10.9965 11.3220 11.3607 11.7259 11.7388 11.8879 11.9350 12.0962 12.1488 12.4498 12.4661 k = 0.3429 0.1123 0.0266 ( 6718 PWs) bands (ev): -3.8391 -3.8354 -2.5710 -2.5668 -2.3004 -2.2949 -1.3367 -1.3328 0.0191 0.0302 0.8827 0.8942 1.4188 1.4377 1.6992 1.7250 2.0546 2.0614 2.5786 2.6026 3.0767 3.1206 3.3244 3.3558 3.7224 3.7835 4.1343 4.1742 4.4310 4.4497 4.7176 4.8054 4.9251 5.0414 5.0812 5.1377 5.2435 5.3304 5.5504 5.6554 5.7496 5.8209 6.0756 6.1667 6.3382 6.4211 6.5237 6.5862 6.7419 6.8125 6.9796 7.0362 7.1302 7.2142 7.4369 7.4803 7.8032 7.9116 8.1697 8.2222 8.6172 8.6575 9.0485 9.0972 10.8651 10.9199 11.3583 11.3831 11.7701 11.7845 11.9099 11.9610 12.1064 12.1551 12.4522 12.4739 k = 0.3571 0.1170 0.0277 ( 6715 PWs) bands (ev): -3.7923 -3.7885 -2.6075 -2.6030 -2.2882 -2.2828 -1.3389 -1.3354 -0.0073 0.0031 0.8713 0.8823 1.4060 1.4230 1.6946 1.7188 2.0368 2.0420 2.5440 2.5672 3.0528 3.0954 3.3021 3.3303 3.7383 3.7991 4.1326 4.1723 4.4357 4.4572 4.7245 4.8012 4.9576 5.0596 5.1014 5.1611 5.2525 5.3441 5.5672 5.6677 5.7638 5.8298 6.0639 6.1448 6.3468 6.4227 6.5207 6.5863 6.7669 6.8418 6.9806 7.0345 7.1424 7.2327 7.4317 7.4864 7.8168 7.9399 8.1676 8.2248 8.6342 8.6760 9.0877 9.1373 10.7978 10.8468 11.3861 11.4013 11.8186 11.8296 11.9284 11.9878 12.1207 12.1639 12.4472 12.4743 k = 0.3714 0.1217 0.0288 ( 6728 PWs) bands (ev): -3.7447 -3.7408 -2.6473 -2.6427 -2.2756 -2.2706 -1.3395 -1.3364 -0.0319 -0.0222 0.8599 0.8704 1.3939 1.4091 1.6923 1.7148 2.0194 2.0235 2.5129 2.5352 3.0304 3.0708 3.2820 3.3071 3.7572 3.8180 4.1295 4.1708 4.4341 4.4610 4.7265 4.7902 4.9914 5.0818 5.1252 5.1856 5.2673 5.3598 5.5835 5.6767 5.7776 5.8352 6.0534 6.1250 6.3448 6.4160 6.5138 6.5820 6.7911 6.8705 6.9804 7.0315 7.1570 7.2535 7.4309 7.4964 7.8282 7.9643 8.1703 8.2337 8.6489 8.6906 9.1213 9.1707 10.7343 10.7784 11.4058 11.4154 11.8555 11.8698 11.9515 12.0209 12.1410 12.1750 12.4435 12.4739 k = 0.3857 0.1264 0.0300 ( 6722 PWs) bands (ev): -3.6966 -3.6927 -2.6897 -2.6850 -2.2633 -2.2586 -1.3389 -1.3361 -0.0545 -0.0456 0.8488 0.8586 1.3826 1.3962 1.6919 1.7126 2.0023 2.0060 2.4855 2.5067 3.0095 3.0473 3.2643 3.2862 3.7787 3.8398 4.1252 4.1694 4.4265 4.4601 4.7248 4.7752 5.0249 5.1066 5.1523 5.2108 5.2871 5.3778 5.5982 5.6831 5.7890 5.8376 6.0452 6.1095 6.3327 6.4015 6.5031 6.5732 6.8130 6.8908 6.9856 7.0295 7.1752 7.2766 7.4342 7.5090 7.8366 7.9802 8.1813 8.2486 8.6612 8.7011 9.1494 9.1972 10.6757 10.7151 11.4188 11.4260 11.8733 11.8956 11.9885 12.0569 12.1730 12.1910 12.4464 12.4782 k = 0.4000 0.1310 0.0311 ( 6719 PWs) bands (ev): -3.6485 -3.6445 -2.7338 -2.7290 -2.2516 -2.2474 -1.3374 -1.3349 -0.0750 -0.0669 0.8383 0.8474 1.3724 1.3844 1.6934 1.7122 1.9854 1.9894 2.4620 2.4817 2.9906 3.0250 3.2488 3.2677 3.8025 3.8637 4.1202 4.1680 4.4138 4.4540 4.7208 4.7589 5.0580 5.1325 5.1810 5.2361 5.3106 5.3980 5.6100 5.6876 5.7957 5.8392 6.0383 6.1009 6.3115 6.3804 6.4898 6.5603 6.8310 6.8962 7.0023 7.0307 7.1971 7.3008 7.4411 7.5227 7.8420 7.9857 8.2011 8.2676 8.6712 8.7079 9.1721 9.2172 10.6224 10.6573 11.4268 11.4332 11.8813 11.9053 12.0292 12.0841 12.2162 12.2240 12.4583 12.4900 k = 0.4143 0.1357 0.0322 ( 6719 PWs) bands (ev): -3.6009 -3.5969 -2.7786 -2.7739 -2.2408 -2.2371 -1.3353 -1.3332 -0.0930 -0.0859 0.8287 0.8368 1.3632 1.3737 1.6963 1.7133 1.9690 1.9735 2.4424 2.4604 2.9739 3.0044 3.2357 3.2516 3.8282 3.8892 4.1146 4.1663 4.3972 4.4427 4.7159 4.7433 5.0906 5.1582 5.2086 5.2606 5.3370 5.4203 5.6173 5.6905 5.7963 5.8439 6.0311 6.1010 6.2828 6.3541 6.4756 6.5438 6.8437 6.8912 7.0235 7.0382 7.2222 7.3243 7.4511 7.5361 7.8459 7.9828 8.2268 8.2886 8.6789 8.7115 9.1903 9.2312 10.5748 10.6052 11.4313 11.4375 11.8850 11.9079 12.0587 12.0999 12.2596 12.2850 12.4800 12.5103 k = 0.4286 0.1404 0.0333 ( 6721 PWs) bands (ev): -3.5547 -3.5508 -2.8229 -2.8184 -2.2312 -2.2280 -1.3330 -1.3311 -0.1085 -0.1025 0.8203 0.8273 1.3554 1.3644 1.7005 1.7154 1.9536 1.9585 2.4267 2.4426 2.9597 2.9858 3.2249 3.2380 3.8551 3.9152 4.1088 4.1639 4.3786 4.4267 4.7109 4.7297 5.1222 5.1826 5.2332 5.2830 5.3650 5.4437 5.6188 5.6909 5.7945 5.8536 6.0221 6.1089 6.2479 6.3250 6.4618 6.5249 6.8508 6.8830 7.0389 7.0547 7.2493 7.3449 7.4638 7.5476 7.8502 7.9748 8.2541 8.3088 8.6848 8.7124 9.2047 9.2402 10.5334 10.5591 11.4336 11.4394 11.8872 11.9077 12.0763 12.1082 12.3134 12.3469 12.5127 12.5403 k = 0.4429 0.1451 0.0344 ( 6725 PWs) bands (ev): -3.5109 -3.5073 -2.8652 -2.8611 -2.2230 -2.2204 -1.3306 -1.3290 -0.1213 -0.1164 0.8133 0.8191 1.3491 1.3564 1.7055 1.7181 1.9397 1.9446 2.4147 2.4280 2.9481 2.9695 3.2163 3.2266 3.8825 3.9402 4.1033 4.1602 4.3600 4.4074 4.7064 4.7188 5.1518 5.2044 5.2545 5.3017 5.3937 5.4668 5.6146 5.6861 5.7970 5.8679 6.0109 6.1219 6.2088 6.2959 6.4497 6.5050 6.8537 6.8749 7.0520 7.0720 7.2769 7.3608 7.4789 7.5558 7.8566 7.9641 8.2799 8.3261 8.6892 8.7115 9.2161 9.2453 10.4986 10.5195 11.4346 11.4396 11.8888 11.9062 12.0874 12.1123 12.3668 12.3986 12.5577 12.5811 k = 0.4571 0.1498 0.0355 ( 6716 PWs) bands (ev): -3.4715 -3.4683 -2.9035 -2.8999 -2.2163 -2.2143 -1.3284 -1.3272 -0.1313 -0.1276 0.8078 0.8122 1.3443 1.3499 1.7108 1.7208 1.9279 1.9323 2.4062 2.4166 2.9395 2.9559 3.2100 3.2176 3.9095 3.9619 4.0995 4.1543 4.3443 4.3866 4.7027 4.7106 5.1784 5.2215 5.2732 5.3151 5.4217 5.4873 5.6071 5.6745 5.8083 5.8856 5.9982 6.1338 6.1708 6.2691 6.4405 6.4854 6.8542 6.8679 7.0650 7.0847 7.3033 7.3706 7.4955 7.5595 7.8662 7.9520 8.3022 8.3387 8.6927 8.7095 9.2252 9.2475 10.4711 10.4870 11.4350 11.4390 11.8903 11.9039 12.0956 12.1142 12.4109 12.4353 12.6122 12.6310 k = 0.4714 0.1545 0.0366 ( 6715 PWs) bands (ev): -3.4390 -3.4366 -2.9349 -2.9322 -2.2114 -2.2100 -1.3266 -1.3258 -0.1383 -0.1358 0.8040 0.8070 1.3411 1.3449 1.7159 1.7229 1.9191 1.9224 2.4010 2.4080 2.9341 2.9451 3.2058 3.2109 3.9347 3.9766 4.0997 4.1451 4.3341 4.3663 4.7002 4.7049 5.2009 5.2317 5.2902 5.3223 5.4479 5.5008 5.6018 5.6574 5.8279 5.9003 5.9900 6.1119 6.1670 6.2454 6.4355 6.4674 6.8540 6.8623 7.0768 7.0922 7.3270 7.3739 7.5123 7.5582 7.8788 7.9388 8.3202 8.3457 8.6958 8.7071 9.2326 9.2476 10.4515 10.4623 11.4351 11.4380 11.8919 11.9013 12.1020 12.1145 12.4426 12.4583 12.6673 12.6817 k = 0.4857 0.1591 0.0377 ( 6709 PWs) bands (ev): -3.4168 -3.4155 -2.9557 -2.9543 -2.2082 -2.2075 -1.3254 -1.3250 -0.1423 -0.1411 0.8020 0.8035 1.3395 1.3415 1.7201 1.7237 1.9138 1.9157 2.3986 2.4022 2.9319 2.9374 3.2038 3.2063 3.9566 3.9804 4.1063 4.1326 4.3314 4.3489 4.6991 4.7012 5.2183 5.2344 5.3053 5.3228 5.4713 5.5019 5.6054 5.6378 5.8528 5.8982 6.0001 6.0701 6.1845 6.2241 6.4356 6.4522 6.8542 6.8582 7.0862 7.0946 7.3467 7.3708 7.5281 7.5521 7.8936 7.9245 8.3338 8.3469 8.6987 8.7044 9.2384 9.2459 10.4406 10.4460 11.4354 11.4369 11.8939 11.8986 12.1071 12.1134 12.4624 12.4699 12.7110 12.7194 k = 0.5000 0.1638 0.0388 ( 6704 PWs) bands (ev): -3.4084 -3.4084 -2.9627 -2.9627 -2.2069 -2.2069 -1.3249 -1.3249 -0.1432 -0.1432 0.8018 0.8018 1.3397 1.3397 1.7228 1.7228 1.9127 1.9127 2.3991 2.3991 2.9330 2.9330 3.2040 3.2040 3.9729 3.9729 4.1185 4.1185 4.3367 4.3367 4.6994 4.6994 5.2297 5.2297 5.3167 5.3167 5.4904 5.4904 5.6190 5.6190 5.8786 5.8786 6.0303 6.0303 6.2040 6.2040 6.4413 6.4413 6.8555 6.8555 7.0924 7.0924 7.3616 7.3616 7.5417 7.5417 7.9092 7.9092 8.3428 8.3428 8.7016 8.7016 9.2428 9.2428 10.4387 10.4387 11.4360 11.4360 11.8961 11.8961 12.1109 12.1109 12.4713 12.4713 12.7308 12.7308 k = 0.5000-0.3007 0.0160 ( 6734 PWs) bands (ev): -3.0554 -3.0554 -2.8265 -2.8265 -2.3628 -2.3628 -1.7536 -1.7536 -0.0774 -0.0774 0.4343 0.4343 0.9448 0.9448 1.6084 1.6084 2.1255 2.1255 2.5154 2.5154 3.6081 3.6081 3.7263 3.7263 3.9401 3.9401 4.1136 4.1136 4.2012 4.2012 4.2710 4.2710 5.0221 5.0221 5.3111 5.3111 5.4376 5.4376 5.5573 5.5573 5.8005 5.8005 5.9280 5.9280 6.2281 6.2281 6.4200 6.4200 6.9311 6.9311 7.0996 7.0996 7.4683 7.4683 7.6432 7.6432 7.8452 7.8452 8.5581 8.5581 8.8554 8.8554 9.4770 9.4770 10.9609 10.9609 11.5021 11.5021 11.8313 11.8313 12.3301 12.3301 12.5822 12.5822 12.6935 12.6935 k = 0.4868-0.2928 0.0156 ( 6740 PWs) bands (ev): -3.0713 -3.0692 -2.8144 -2.8122 -2.3620 -2.3618 -1.7538 -1.7530 -0.0791 -0.0773 0.4343 0.4361 0.9476 0.9487 1.6088 1.6111 2.1252 2.1289 2.5158 2.5166 3.6023 3.6128 3.7171 3.7355 3.9298 3.9508 4.1023 4.1254 4.1944 4.2088 4.2668 4.2786 5.0167 5.0207 5.2964 5.3205 5.4161 5.4558 5.5363 5.5749 5.7825 5.8186 5.9118 5.9433 6.2171 6.2357 6.4136 6.4293 6.9112 6.9400 7.0955 7.1110 7.4474 7.4738 7.6466 7.6623 7.8419 7.8552 8.5534 8.5617 8.8483 8.8550 9.4690 9.4724 10.9610 10.9694 11.4945 11.5069 11.8334 11.8410 12.3222 12.3341 12.5698 12.5775 12.6990 12.7038 k = 0.4737-0.2849 0.0152 ( 6746 PWs) bands (ev): -3.1092 -3.1060 -2.7828 -2.7794 -2.3593 -2.3589 -1.7537 -1.7521 -0.0822 -0.0788 0.4360 0.4395 0.9569 0.9591 1.6121 1.6167 2.1282 2.1354 2.5176 2.5192 3.5955 3.6160 3.7084 3.7442 3.9203 3.9616 4.0920 4.1369 4.1888 4.2164 4.2673 4.2889 5.0045 5.0120 5.2773 5.3226 5.3945 5.4692 5.5140 5.5877 5.7673 5.8311 5.8996 5.9561 6.2040 6.2384 6.4113 6.4399 6.8864 6.9348 7.1014 7.1237 7.4202 7.4640 7.6722 7.6949 7.8450 7.8716 8.5476 8.5640 8.8343 8.8473 9.4490 9.4555 10.9694 10.9853 11.4867 11.5093 11.8464 11.8605 12.3111 12.3343 12.5428 12.5585 12.7216 12.7296 k = 0.4605-0.2770 0.0148 ( 6736 PWs) bands (ev): -3.1583 -3.1546 -2.7430 -2.7391 -2.3546 -2.3541 -1.7530 -1.7507 -0.0865 -0.0816 0.4395 0.4445 0.9727 0.9758 1.6184 1.6252 2.1344 2.1452 2.5209 2.5234 3.5880 3.6171 3.7008 3.7517 3.9123 3.9722 4.0833 4.1474 4.1846 4.2229 4.2736 4.3014 4.9853 4.9954 5.2545 5.3125 5.3788 5.4733 5.4966 5.5952 5.7562 5.8296 5.8994 5.9659 6.1886 6.2348 6.4134 6.4502 6.8616 6.9193 7.1130 7.1334 7.3940 7.4483 7.7111 7.7340 7.8536 7.8938 8.5405 8.5643 8.8149 8.8335 9.4182 9.4275 10.9844 11.0064 11.4829 11.5125 11.8673 11.8865 12.2973 12.3308 12.5083 12.5310 12.7577 12.7710 k = 0.4474-0.2691 0.0143 ( 6737 PWs) bands (ev): -3.2127 -3.2090 -2.7013 -2.6974 -2.3482 -2.3475 -1.7514 -1.7484 -0.0917 -0.0855 0.4449 0.4512 0.9945 0.9985 1.6276 1.6364 2.1436 2.1580 2.5256 2.5290 3.5796 3.6154 3.6945 3.7574 3.9066 3.9826 4.0764 4.1557 4.1829 4.2279 4.2858 4.3159 4.9591 4.9705 5.2286 5.2900 5.3716 5.4589 5.4950 5.5976 5.7492 5.8153 5.9095 5.9730 6.1709 6.2247 6.4191 6.4590 6.8391 6.8993 7.1235 7.1377 7.3738 7.4340 7.7559 7.7750 7.8669 7.9200 8.5315 8.5621 8.7924 8.8153 9.3781 9.3901 11.0036 11.0299 11.4869 11.5200 11.8924 11.9158 12.2808 12.3229 12.4741 12.5018 12.8014 12.8229 k = 0.4342-0.2612 0.0139 ( 6739 PWs) bands (ev): -3.2699 -3.2661 -2.6610 -2.6573 -2.3400 -2.3391 -1.7486 -1.7450 -0.0973 -0.0901 0.4523 0.4598 1.0220 1.0266 1.6396 1.6502 2.1560 2.1738 2.5316 2.5359 3.5704 3.6108 3.6896 3.7604 3.9037 3.9926 4.0714 4.1597 4.1855 4.2322 4.3025 4.3319 4.9256 4.9376 5.2003 5.2622 5.3681 5.4389 5.4974 5.5955 5.7455 5.7967 5.9214 5.9781 6.1506 6.2094 6.4264 6.4656 6.8198 6.8782 7.1280 7.1358 7.3628 7.4247 7.8021 7.8141 7.8842 7.9483 8.5201 8.5566 8.7698 8.7955 9.3307 9.3452 11.0243 11.0534 11.5011 11.5350 11.9186 11.9460 12.2601 12.3073 12.4474 12.4767 12.8419 12.8735 k = 0.4211-0.2532 0.0135 ( 6734 PWs) bands (ev): -3.3282 -3.3245 -2.6238 -2.6205 -2.3303 -2.3292 -1.7440 -1.7398 -0.1030 -0.0950 0.4619 0.4704 1.0544 1.0596 1.6543 1.6665 2.1714 2.1925 2.5389 2.5442 3.5604 3.6034 3.6855 3.7602 3.9041 4.0021 4.0686 4.1596 4.1923 4.2367 4.3218 4.3493 4.8853 4.8979 5.1705 5.2346 5.3647 5.4193 5.4982 5.5897 5.7431 5.7782 5.9303 5.9824 6.1283 6.1908 6.4337 6.4697 6.8029 6.8575 7.1243 7.1281 7.3621 7.4218 7.8398 7.8526 7.9061 7.9765 8.5054 8.5479 8.7498 8.7774 9.2782 9.2952 11.0445 11.0758 11.5254 11.5583 11.9438 11.9751 12.2337 12.2808 12.4331 12.4597 12.8604 12.8939 k = 0.4079-0.2453 0.0131 ( 6734 PWs) bands (ev): -3.3870 -3.3835 -2.5905 -2.5878 -2.3196 -2.3182 -1.7371 -1.7324 -0.1084 -0.0998 0.4739 0.4834 1.0910 1.0966 1.6717 1.6853 2.1896 2.2141 2.5474 2.5537 3.5496 3.5938 3.6812 3.7567 3.9076 4.0105 4.0680 4.1572 4.2012 4.2417 4.3421 4.3683 4.8395 4.8536 5.1402 5.2090 5.3597 5.4003 5.4972 5.5811 5.7392 5.7630 5.9335 5.9866 6.1051 6.1713 6.4401 6.4719 6.7868 6.8374 7.1127 7.1166 7.3702 7.4251 7.8582 7.8934 7.9320 8.0026 8.4870 8.5376 8.7333 8.7647 9.2228 9.2428 11.0632 11.0970 11.5580 11.5892 11.9667 12.0016 12.2010 12.2445 12.4301 12.4520 12.8333 12.8618 k = 0.3947-0.2374 0.0127 ( 6736 PWs) bands (ev): -3.4458 -3.4423 -2.5617 -2.5597 -2.3086 -2.3069 -1.7273 -1.7223 -0.1130 -0.1040 0.4885 0.4989 1.1311 1.1369 1.6917 1.7065 2.2107 2.2384 2.5569 2.5643 3.5381 3.5825 3.6757 3.7501 3.9136 4.0174 4.0696 4.1537 4.2106 4.2474 4.3616 4.3887 4.7904 4.8079 5.1104 5.1851 5.3523 5.3821 5.4947 5.5703 5.7297 5.7550 5.9298 5.9893 6.0841 6.1536 6.4453 6.4730 6.7699 6.8174 7.0963 7.1022 7.3840 7.4333 7.8621 7.9231 7.9603 8.0260 8.4661 8.5281 8.7201 8.7594 9.1672 9.1908 11.0809 11.1177 11.5955 11.6248 11.9857 12.0236 12.1643 12.2022 12.4331 12.4517 12.7757 12.8009 k = 0.3816-0.2295 0.0122 ( 6731 PWs) bands (ev): -3.5041 -3.5008 -2.5372 -2.5359 -2.2982 -2.2962 -1.7142 -1.7089 -0.1166 -0.1073 0.5061 0.5173 1.1735 1.1794 1.7145 1.7302 2.2344 2.2653 2.5672 2.5758 3.5260 3.5700 3.6683 3.7409 3.9210 4.0222 4.0732 4.1491 4.2194 4.2535 4.3787 4.4102 4.7412 4.7642 5.0815 5.1622 5.3419 5.3647 5.4914 5.5581 5.7163 5.7518 5.9198 5.9857 6.0702 6.1400 6.4493 6.4735 6.7510 6.7969 7.0778 7.0856 7.4006 7.4448 7.8531 7.9300 7.9925 8.0472 8.4453 8.5208 8.7098 8.7608 9.1143 9.1422 11.0983 11.1382 11.6343 11.6616 11.9983 12.0354 12.1310 12.1580 12.4358 12.4550 12.7199 12.7397 k = 0.3684-0.2216 0.0118 ( 6723 PWs) bands (ev): -3.5617 -3.5585 -2.5170 -2.5161 -2.2892 -2.2868 -1.6976 -1.6921 -0.1187 -0.1092 0.5268 0.5389 1.2171 1.2232 1.7402 1.7568 2.2606 2.2948 2.5781 2.5881 3.5132 3.5567 3.6587 3.7296 3.9290 4.0249 4.0779 4.1432 4.2264 4.2599 4.3924 4.4311 4.6961 4.7263 5.0536 5.1395 5.3283 5.3488 5.4876 5.5451 5.7024 5.7493 5.9046 5.9711 6.0677 6.1321 6.4520 6.4739 6.7297 6.7755 7.0588 7.0679 7.4173 7.4574 7.8317 7.9136 8.0240 8.0662 8.4259 8.5153 8.7019 8.7656 9.0680 9.1008 11.1160 11.1588 11.6709 11.6955 11.9956 12.0259 12.1110 12.1250 12.4318 12.4568 12.6726 12.6950 k = 0.3553-0.2137 0.0114 ( 6722 PWs) bands (ev): -3.6184 -3.6153 -2.5009 -2.4994 -2.2823 -2.2795 -1.6774 -1.6717 -0.1192 -0.1095 0.5507 0.5637 1.2609 1.2673 1.7690 1.7864 2.2891 2.3266 2.5895 2.6010 3.4998 3.5426 3.6466 3.7165 3.9368 4.0258 4.0822 4.1361 4.2302 4.2662 4.4012 4.4482 4.6602 4.6980 5.0269 5.1166 5.3119 5.3344 5.4837 5.5318 5.6890 5.7460 5.8857 5.9477 6.0743 6.1303 6.4534 6.4746 6.7063 6.7533 7.0400 7.0499 7.4317 7.4689 7.7988 7.8784 8.0510 8.0827 8.4070 8.5104 8.6939 8.7696 9.0328 9.0701 11.1341 11.1794 11.7022 11.7228 11.9651 11.9965 12.0928 12.1287 12.4192 12.4528 12.6317 12.6707 k = 0.3421-0.2058 0.0110 ( 6715 PWs) bands (ev): -3.6739 -3.6710 -2.4880 -2.4858 -2.2780 -2.2747 -1.6539 -1.6480 -0.1177 -0.1078 0.5779 0.5919 1.3035 1.3106 1.8010 1.8194 2.3198 2.3607 2.6010 2.6143 3.4858 3.5278 3.6323 3.7019 3.9435 4.0251 4.0845 4.1281 4.2295 4.2714 4.4043 4.4570 4.6398 4.6828 5.0016 5.0933 5.2946 5.3213 5.4797 5.5184 5.6762 5.7415 5.8646 5.9201 6.0858 6.1344 6.4535 6.4753 6.6814 6.7308 7.0216 7.0324 7.4416 7.4775 7.7566 7.8292 8.0709 8.0978 8.3864 8.5039 8.6829 8.7688 9.0126 9.0528 11.1524 11.1993 11.7246 11.7391 11.9213 11.9523 12.0906 12.1414 12.4019 12.4429 12.5969 12.6561 k = 0.3289-0.1978 0.0105 ( 6716 PWs) bands (ev): -3.7281 -3.7254 -2.4781 -2.4749 -2.2762 -2.2724 -1.6275 -1.6215 -0.1139 -0.1038 0.6084 0.6234 1.3439 1.3522 1.8363 1.8558 2.3525 2.3969 2.6125 2.6278 3.4709 3.5123 3.6165 3.6861 3.9485 4.0231 4.0834 4.1198 4.2242 4.2740 4.4023 4.4548 4.6383 4.6820 4.9778 5.0701 5.2777 5.3096 5.4758 5.5050 5.6638 5.7354 5.8425 5.8909 6.0995 6.1435 6.4519 6.4754 6.6565 6.7087 7.0037 7.0157 7.4446 7.4815 7.7080 7.7708 8.0820 8.1129 8.3623 8.4942 8.6671 8.7611 9.0076 9.0488 11.1701 11.2177 11.7321 11.7391 11.8813 11.9065 12.0935 12.1533 12.3853 12.4327 12.5669 12.6436 k = 0.3158-0.1899 0.0101 ( 6724 PWs) bands (ev): -3.7809 -3.7783 -2.4708 -2.4666 -2.2767 -2.2724 -1.5986 -1.5927 -0.1076 -0.0974 0.6421 0.6581 1.3814 1.3911 1.8748 1.8957 2.3869 2.4351 2.6237 2.6414 3.4553 3.4958 3.5999 3.6696 3.9507 4.0195 4.0782 4.1121 4.2154 4.2720 4.3970 4.4459 4.6514 4.6943 4.9558 5.0478 5.2622 5.2994 5.4717 5.4917 5.6517 5.7276 5.8202 5.8614 6.1145 6.1566 6.4486 6.4737 6.6332 6.6883 6.9861 7.0003 7.4383 7.4793 7.6564 7.7078 8.0858 8.1271 8.3340 8.4798 8.6481 8.7482 9.0132 9.0543 11.1865 11.2340 11.7100 11.7250 11.8531 11.8744 12.0943 12.1613 12.3735 12.4290 12.5440 12.6341 k = 0.3026-0.1820 0.0097 ( 6720 PWs) bands (ev): -3.8322 -3.8297 -2.4659 -2.4608 -2.2790 -2.2740 -1.5681 -1.5621 -0.0986 -0.0881 0.6786 0.6957 1.4154 1.4269 1.9163 1.9386 2.4224 2.4745 2.6350 2.6555 3.4389 3.4784 3.5834 3.6529 3.9495 4.0139 4.0705 4.1048 4.2046 4.2645 4.3905 4.4372 4.6715 4.7165 4.9356 5.0282 5.2485 5.2911 5.4671 5.4785 5.6395 5.7179 5.7982 5.8327 6.1302 6.1725 6.4430 6.4685 6.6141 6.6707 6.9685 6.9861 7.4201 7.4695 7.6050 7.6448 8.0849 8.1389 8.3023 8.4601 8.6286 8.7325 9.0223 9.0635 11.2013 11.2479 11.6672 11.6913 11.8360 11.8596 12.0910 12.1637 12.3703 12.4341 12.5336 12.6326 k = 0.2895-0.1741 0.0093 ( 6722 PWs) bands (ev): -3.8818 -3.8795 -2.4635 -2.4574 -2.2826 -2.2769 -1.5364 -1.5304 -0.0867 -0.0761 0.7175 0.7358 1.4458 1.4592 1.9599 1.9837 2.4579 2.5135 2.6475 2.6706 3.4221 3.4603 3.5680 3.6365 3.9440 4.0054 4.0633 4.0972 4.1935 4.2521 4.3831 4.4328 4.6928 4.7444 4.9174 5.0131 5.2370 5.2850 5.4597 5.4672 5.6266 5.7061 5.7772 5.8059 6.1464 6.1899 6.4344 6.4583 6.6014 6.6571 6.9510 6.9729 7.3890 7.4501 7.5549 7.5882 8.0806 8.1475 8.2687 8.4354 8.6105 8.7155 9.0287 9.0708 11.2143 11.2595 11.6176 11.6456 11.8253 11.8519 12.0839 12.1608 12.3778 12.4453 12.5405 12.6427 k = 0.2763-0.1662 0.0089 ( 6723 PWs) bands (ev): -3.9297 -3.9276 -2.4634 -2.4565 -2.2868 -2.2804 -1.5039 -1.4980 -0.0719 -0.0610 0.7584 0.7778 1.4727 1.4881 2.0048 2.0301 2.4911 2.5479 2.6649 2.6889 3.4055 3.4423 3.5541 3.6210 3.9345 3.9934 4.0584 4.0897 4.1827 4.2366 4.3755 4.4332 4.7117 4.7738 4.9016 5.0047 5.2272 5.2808 5.4470 5.4599 5.6123 5.6922 5.7571 5.7831 6.1625 6.2077 6.4223 6.4433 6.5961 6.6484 6.9335 6.9602 7.3463 7.4180 7.5072 7.5438 8.0739 8.1526 8.2349 8.4072 8.5938 8.6978 9.0276 9.0715 11.2259 11.2692 11.5687 11.5984 11.8159 11.8447 12.0743 12.1540 12.3956 12.4597 12.5657 12.6648 k = 0.2632-0.1583 0.0084 ( 6724 PWs) bands (ev): -3.9758 -3.9738 -2.4657 -2.4581 -2.2910 -2.2841 -1.4713 -1.4655 -0.0540 -0.0429 0.8004 0.8210 1.4968 1.5141 2.0497 2.0763 2.5184 2.5708 2.6933 2.7139 3.3899 3.4256 3.5418 3.6066 3.9215 3.9786 4.0551 4.0836 4.1719 4.2204 4.3687 4.4371 4.7257 4.7991 4.8906 5.0037 5.2186 5.2782 5.4323 5.4531 5.5959 5.6764 5.7377 5.7668 6.1777 6.2245 6.4056 6.4264 6.5971 6.6449 6.9155 6.9474 7.2965 7.3719 7.4671 7.5089 8.0651 8.1530 8.2031 8.3769 8.5779 8.6793 9.0157 9.0625 11.2365 11.2777 11.5247 11.5558 11.8055 11.8360 12.0632 12.1452 12.4213 12.4773 12.6045 12.6959 k = 0.2500-0.1504 0.0080 ( 6723 PWs) bands (ev): -4.0201 -4.0181 -2.4702 -2.4621 -2.2950 -2.2876 -1.4387 -1.4330 -0.0331 -0.0217 0.8428 0.8646 1.5186 1.5379 2.0934 2.1212 2.5354 2.5789 2.7346 2.7510 3.3765 3.4116 3.5307 3.5936 3.9062 3.9624 4.0509 4.0809 4.1601 4.2061 4.3635 4.4431 4.7342 4.8118 4.8911 5.0089 5.2107 5.2763 5.4172 5.4448 5.5772 5.6583 5.7210 5.7572 6.1908 6.2392 6.3845 6.4106 6.6026 6.6463 6.8969 6.9338 7.2445 7.3176 7.4351 7.4797 8.0542 8.1439 8.1790 8.3456 8.5619 8.6599 8.9916 9.0415 11.2459 11.2847 11.4882 11.5211 11.7935 11.8253 12.0514 12.1355 12.4530 12.4987 12.6477 12.7271 k = 0.2368-0.1424 0.0076 ( 6725 PWs) bands (ev): -4.0623 -4.0605 -2.4767 -2.4683 -2.2984 -2.2907 -1.4063 -1.4008 -0.0091 0.0024 0.8845 0.9074 1.5391 1.5604 2.1344 2.1635 2.5400 2.5753 2.7845 2.8032 3.3662 3.4015 3.5203 3.5821 3.8895 3.9462 4.0446 4.0823 4.1467 4.1958 4.3601 4.4501 4.7376 4.8079 4.9056 5.0176 5.2028 5.2735 5.4025 5.4347 5.5575 5.6370 5.7100 5.7535 6.1996 6.2505 6.3617 6.3972 6.6105 6.6517 6.8773 6.9182 7.1945 7.2620 7.4086 7.4549 8.0409 8.1215 8.1672 8.3140 8.5455 8.6397 8.9548 9.0082 11.2522 11.2887 11.4608 11.4963 11.7799 11.8121 12.0390 12.1252 12.4881 12.5223 12.6683 12.7242 k = 0.2237-0.1345 0.0072 ( 6720 PWs) bands (ev): -4.1026 -4.1009 -2.4849 -2.4764 -2.3013 -2.2934 -1.3745 -1.3692 0.0177 0.0294 0.9242 0.9481 1.5594 1.5826 2.1717 2.2022 2.5331 2.5640 2.8417 2.8665 3.3597 3.3965 3.5101 3.5721 3.8727 3.9311 4.0373 4.0858 4.1331 4.1898 4.3585 4.4575 4.7369 4.7951 4.9249 5.0264 5.1944 5.2676 5.3885 5.4234 5.5387 5.6132 5.7047 5.7551 6.2016 6.2565 6.3409 6.3872 6.6188 6.6602 6.8566 6.8997 7.1499 7.2094 7.3873 7.4350 8.0249 8.0946 8.1593 8.2820 8.5285 8.6188 8.9066 8.9629 11.2513 11.2863 11.4438 11.4827 11.7647 11.7961 12.0264 12.1146 12.5207 12.5385 12.6225 12.6455 k = 0.2105-0.1266 0.0067 ( 6721 PWs) bands (ev): -4.1408 -4.1392 -2.4945 -2.4861 -2.3036 -2.2957 -1.3432 -1.3381 0.0473 0.0591 0.9608 0.9853 1.5807 1.6057 2.2041 2.2362 2.5175 2.5477 2.9058 2.9368 3.3570 3.3968 3.4999 3.5639 3.8567 3.9179 4.0303 4.0875 4.1237 4.1871 4.3584 4.4649 4.7332 4.7795 4.9420 5.0324 5.1858 5.2567 5.3741 5.4135 5.5218 5.5888 5.7033 5.7612 6.1951 6.2533 6.3275 6.3809 6.6249 6.6705 6.8349 6.8779 7.1134 7.1620 7.3722 7.4210 8.0055 8.0685 8.1503 8.2496 8.5113 8.5975 8.8490 8.9075 11.2376 11.2725 11.4383 11.4811 11.7482 11.7769 12.0141 12.1036 12.5008 12.5149 12.5947 12.6247 k = 0.1974-0.1187 0.0063 ( 6721 PWs) bands (ev): -4.1768 -4.1754 -2.5051 -2.4968 -2.3054 -2.2978 -1.3126 -1.3078 0.0794 0.0913 0.9928 1.0176 1.6042 1.6307 2.2302 2.2643 2.4964 2.5284 2.9747 3.0117 3.3578 3.4025 3.4897 3.5582 3.8424 3.9071 4.0243 4.0826 4.1241 4.1866 4.3599 4.4716 4.7268 4.7634 4.9534 5.0338 5.1772 5.2410 5.3583 5.4067 5.5067 5.5661 5.7043 5.7707 6.1802 6.2377 6.3246 6.3779 6.6264 6.6806 6.8124 6.8551 7.0861 7.1215 7.3641 7.4138 7.9825 8.0450 8.1390 8.2169 8.4941 8.5763 8.7851 8.8445 11.2067 11.2416 11.4436 11.4901 11.7311 11.7547 12.0030 12.0924 12.4411 12.4517 12.6266 12.6510 k = 0.1842-0.1108 0.0059 ( 6718 PWs) bands (ev): -4.2108 -4.2094 -2.5163 -2.5084 -2.3070 -2.2996 -1.2827 -1.2782 0.1138 0.1257 1.0192 1.0437 1.6309 1.6584 2.2485 2.2846 2.4740 2.5088 3.0463 3.0893 3.3611 3.4129 3.4801 3.5558 3.8306 3.8991 4.0200 4.0735 4.1325 4.1875 4.3628 4.4771 4.7174 4.7483 4.9571 5.0298 5.1680 5.2232 5.3416 5.4020 5.4927 5.5469 5.7063 5.7818 6.1587 6.2138 6.3279 6.3766 6.6213 6.6856 6.7905 6.8370 7.0661 7.0899 7.3635 7.4136 7.9563 8.0240 8.1248 8.1843 8.4770 8.5552 8.7188 8.7770 11.1572 11.1911 11.4550 11.5058 11.7142 11.7308 11.9945 12.0817 12.3914 12.3981 12.6605 12.6861 k = 0.1711-0.1029 0.0055 ( 6724 PWs) bands (ev): -4.2425 -4.2412 -2.5278 -2.5203 -2.3084 -2.3013 -1.2537 -1.2495 0.1501 0.1620 1.0393 1.0627 1.6612 1.6893 2.2571 2.2936 2.4556 2.4919 3.1181 3.1673 3.3656 3.4264 3.4729 3.5581 3.8219 3.8940 4.0179 4.0649 4.1447 4.1888 4.3674 4.4806 4.7047 4.7351 4.9526 5.0207 5.1556 5.2080 5.3253 5.3962 5.4798 5.5328 5.7080 5.7924 6.1329 6.1857 6.3321 6.3750 6.6091 6.6767 6.7765 6.8278 7.0486 7.0709 7.3703 7.4198 7.9277 8.0051 8.1073 8.1530 8.4595 8.5335 8.6550 8.7088 11.0901 11.1217 11.4650 11.5218 11.6974 11.7114 11.9898 12.0718 12.3541 12.3639 12.6742 12.7118 k = 0.1579-0.0950 0.0051 ( 6733 PWs) bands (ev): -4.2720 -4.2709 -2.5393 -2.5323 -2.3097 -2.3030 -1.2256 -1.2217 0.1879 0.1998 1.0527 1.0745 1.6948 1.7233 2.2545 2.2881 2.4466 2.4808 3.1874 3.2422 3.3705 3.4392 3.4729 3.5668 3.8170 3.8922 4.0185 4.0590 4.1586 4.1897 4.3740 4.4810 4.6895 4.7238 4.9412 5.0066 5.1382 5.1984 5.3100 5.3873 5.4695 5.5239 5.7078 5.8006 6.1047 6.1560 6.3347 6.3713 6.5914 6.6502 6.7758 6.8277 7.0314 7.0639 7.3835 7.4308 7.8976 7.9876 8.0855 8.1261 8.4397 8.5088 8.6000 8.6451 11.0080 11.0364 11.4642 11.5264 11.6848 11.7062 11.9891 12.0627 12.3292 12.3449 12.6497 12.6857 k = 0.1447-0.0871 0.0046 ( 6730 PWs) bands (ev): -4.2993 -4.2982 -2.5506 -2.5441 -2.3110 -2.3047 -1.1986 -1.1949 0.2270 0.2387 1.0598 1.0794 1.7309 1.7595 2.2410 2.2690 2.4478 2.4766 3.2515 3.3073 3.3752 3.4486 3.4856 3.5835 3.8162 3.8934 4.0224 4.0576 4.1715 4.1911 4.3831 4.4772 4.6740 4.7134 4.9255 4.9880 5.1179 5.1920 5.2954 5.3751 5.4631 5.5197 5.7043 5.8044 6.0757 6.1260 6.3342 6.3642 6.5702 6.6155 6.7827 6.8345 7.0171 7.0635 7.4013 7.4449 7.8670 7.9705 8.0600 8.1057 8.4147 8.4778 8.5588 8.5937 10.9145 10.9399 11.4448 11.5058 11.6912 11.7168 11.9911 12.0536 12.3151 12.3355 12.6060 12.6321 k = 0.1316-0.0791 0.0042 ( 6731 PWs) bands (ev): -4.3242 -4.3233 -2.5614 -2.5554 -2.3122 -2.3064 -1.1727 -1.1694 0.2667 0.2783 1.0611 1.0783 1.7677 1.7963 2.2195 2.2424 2.4553 2.4782 3.3075 3.3504 3.3808 3.4661 3.5069 3.6084 3.8202 3.8973 4.0301 4.0630 4.1749 4.1995 4.3949 4.4685 4.6599 4.7040 4.9081 4.9656 5.0961 5.1852 5.2812 5.3621 5.4604 5.5196 5.6961 5.8024 6.0466 6.0971 6.3282 6.3548 6.5442 6.5837 6.7917 6.8461 7.0059 7.0666 7.4213 7.4604 7.8373 7.9519 8.0352 8.0913 8.3834 8.4403 8.5306 8.5626 10.8140 10.8364 11.4053 11.4601 11.7164 11.7408 11.9942 12.0441 12.3085 12.3314 12.5631 12.5837 k = 0.1184-0.0712 0.0038 ( 6728 PWs) bands (ev): -4.3469 -4.3461 -2.5716 -2.5662 -2.3134 -2.3082 -1.1483 -1.1452 0.3067 0.3179 1.0577 1.0723 1.8027 1.8315 2.1944 2.2146 2.4654 2.4833 3.3518 3.3679 3.3879 3.4969 3.5332 3.6397 3.8287 3.9031 4.0423 4.0784 4.1686 4.2142 4.4090 4.4557 4.6481 4.6962 4.8910 4.9410 5.0731 5.1751 5.2676 5.3507 5.4603 5.5231 5.6823 5.7937 6.0181 6.0707 6.3128 6.3479 6.5107 6.5619 6.8005 6.8603 6.9965 7.0714 7.4400 7.4766 7.8098 7.9294 8.0168 8.0815 8.3510 8.4000 8.5149 8.5481 10.7103 10.7302 11.3499 11.3982 11.7515 11.7733 11.9966 12.0345 12.3064 12.3299 12.5272 12.5481 k = 0.1053-0.0633 0.0034 ( 6722 PWs) bands (ev): -4.3672 -4.3665 -2.5810 -2.5762 -2.3146 -2.3099 -1.1254 -1.1227 0.3461 0.3570 1.0506 1.0628 1.8331 1.8619 2.1708 2.1902 2.4759 2.4901 3.3685 3.3813 3.4043 3.5255 3.5642 3.6736 3.8405 3.9097 4.0602 4.1044 4.1588 4.2291 4.4209 4.4459 4.6381 4.6914 4.8751 4.9157 5.0486 5.1598 5.2557 5.3422 5.4614 5.5295 5.6634 5.7780 5.9909 6.0476 6.2894 6.3446 6.4734 6.5475 6.8085 6.8755 6.9875 7.0760 7.4541 7.4941 7.7855 7.9023 8.0074 8.0754 8.3230 8.3633 8.5103 8.5429 10.6068 10.6247 11.2839 11.3265 11.7901 11.8098 11.9974 12.0256 12.3059 12.3293 12.5006 12.5248 k = 0.0921-0.0554 0.0030 ( 6728 PWs) bands (ev): -4.3852 -4.3845 -2.5895 -2.5853 -2.3158 -2.3116 -1.1044 -1.1019 0.3845 0.3949 1.0411 1.0509 1.8554 1.8834 2.1538 2.1729 2.4859 2.4972 3.3726 3.3850 3.4326 3.5456 3.5951 3.7060 3.8518 3.9164 4.0856 4.1261 4.1605 4.2435 4.4181 4.4558 4.6287 4.6906 4.8606 4.8908 5.0226 5.1384 5.2464 5.3366 5.4615 5.5378 5.6412 5.7564 5.9659 6.0275 6.2626 6.3433 6.4360 6.5359 6.8155 6.8904 6.9782 7.0789 7.4633 7.5121 7.7649 7.8725 8.0061 8.0719 8.3024 8.3354 8.5133 8.5435 10.5068 10.5228 11.2121 11.2497 11.8284 11.8472 11.9967 12.0184 12.3057 12.3292 12.4833 12.5110 k = 0.0789-0.0475 0.0025 ( 6729 PWs) bands (ev): -4.4008 -4.4002 -2.5971 -2.5934 -2.3168 -2.3132 -1.0854 -1.0833 0.4209 0.4306 1.0301 1.0377 1.8674 1.8927 2.1476 2.1653 2.4949 2.5040 3.3760 3.3873 3.4578 3.5588 3.6223 3.7347 3.8585 3.9221 4.1079 4.1267 4.1908 4.2642 4.4149 4.4754 4.6196 4.6943 4.8470 4.8671 4.9959 5.1118 5.2401 5.3336 5.4575 5.5450 5.6202 5.7311 5.9440 6.0093 6.2362 6.3419 6.4015 6.5245 6.8217 6.9031 6.9694 7.0784 7.4703 7.5284 7.7475 7.8426 8.0107 8.0697 8.2897 8.3180 8.5221 8.5485 10.4129 10.4271 11.1391 11.1719 11.8635 11.8834 11.9950 12.0135 12.3054 12.3289 12.4737 12.5038 k = 0.0658-0.0396 0.0021 ( 6729 PWs) bands (ev): -4.4140 -4.4136 -2.6035 -2.6005 -2.3177 -2.3147 -1.0688 -1.0670 0.4546 0.4634 1.0187 1.0244 1.8689 1.8898 2.1525 2.1672 2.5026 2.5099 3.3800 3.3905 3.4785 3.5660 3.6467 3.7595 3.8584 3.9256 4.0981 4.1440 4.2219 4.3040 4.4218 4.4957 4.6116 4.7019 4.8328 4.8463 4.9693 5.0813 5.2366 5.3326 5.4458 5.5439 5.6092 5.7070 5.9259 5.9918 6.2132 6.3327 6.3784 6.5118 6.8274 6.9104 6.9641 7.0742 7.4775 7.5414 7.7329 7.8143 8.0189 8.0683 8.2844 8.3094 8.5349 8.5569 10.3278 10.3401 11.0691 11.0971 11.8931 11.9165 11.9936 12.0117 12.3053 12.3277 12.4702 12.5007 k = 0.0526-0.0317 0.0017 ( 6719 PWs) bands (ev): -4.4249 -4.4245 -2.6088 -2.6064 -2.3185 -2.3160 -1.0547 -1.0532 0.4845 0.4921 1.0078 1.0119 1.8630 1.8789 2.1646 2.1758 2.5092 2.5149 3.3848 3.3948 3.4953 3.5677 3.6698 3.7811 3.8522 3.9257 4.0854 4.1422 4.2630 4.3531 4.4395 4.5138 4.6065 4.7128 4.8158 4.8312 4.9440 5.0481 5.2361 5.3326 5.4259 5.5276 5.6139 5.6891 5.9116 5.9739 6.1958 6.3075 6.3754 6.4973 6.8332 6.9086 6.9666 7.0663 7.4865 7.5501 7.7209 7.7885 8.0291 8.0677 8.2852 8.3067 8.5502 8.5675 10.2538 10.2642 11.0061 11.0289 11.9159 11.9433 11.9939 12.0139 12.3054 12.3254 12.4710 12.4996 k = 0.0395-0.0237 0.0013 ( 6711 PWs) bands (ev): -4.4333 -4.4330 -2.6130 -2.6111 -2.3190 -2.3172 -1.0434 -1.0423 0.5096 0.5157 0.9983 1.0011 1.8538 1.8651 2.1790 2.1868 2.5144 2.5186 3.3901 3.3992 3.5091 3.5650 3.6927 3.7976 3.8437 3.9212 4.0767 4.1274 4.3103 4.3942 4.4656 4.5280 4.6077 4.7245 4.7992 4.8211 4.9215 5.0131 5.2390 5.3308 5.4037 5.5007 5.6274 5.6799 5.9016 5.9551 6.1856 6.2768 6.3830 6.4810 6.8394 6.8995 6.9761 7.0557 7.4974 7.5537 7.7123 7.7657 8.0396 8.0677 8.2897 8.3067 8.5659 8.5786 10.1935 10.2016 10.9535 10.9709 11.9318 11.9587 12.0000 12.0194 12.3060 12.3221 12.4747 12.4990 k = 0.0263-0.0158 0.0008 ( 6707 PWs) bands (ev): -4.4393 -4.4391 -2.6158 -2.6146 -2.3194 -2.3181 -1.0352 -1.0344 0.5289 0.5332 0.9909 0.9926 1.8451 1.8523 2.1919 2.1968 2.5183 2.5211 3.3956 3.4027 3.5208 3.5590 3.7157 3.7992 3.8450 3.9114 4.0735 4.1101 4.3544 4.4189 4.4908 4.5363 4.6220 4.7280 4.7913 4.8142 4.9051 4.9774 5.2462 5.3202 5.3920 5.4699 5.6430 5.6763 5.8967 5.9362 6.1834 6.2475 6.3951 6.4633 6.8466 6.8878 6.9886 7.0433 7.5098 7.5520 7.7085 7.7461 8.0493 8.0675 8.2955 8.3073 8.5799 8.5881 10.1490 10.1546 10.9143 10.9262 11.9424 11.9620 12.0119 12.0256 12.3070 12.3184 12.4801 12.4978 k = 0.0132-0.0079 0.0004 ( 6707 PWs) bands (ev): -4.4429 -4.4428 -2.6174 -2.6168 -2.3194 -2.3188 -1.0301 -1.0297 0.5414 0.5436 0.9863 0.9871 1.8396 1.8431 2.2009 2.2033 2.5209 2.5223 3.4003 3.4042 3.5315 3.5509 3.7391 3.7837 3.8601 3.8967 4.0758 4.0948 4.3904 4.4258 4.5092 4.5351 4.6515 4.7136 4.7962 4.8095 4.9010 4.9431 5.2588 5.2993 5.3975 5.4402 5.6570 5.6733 5.8978 5.9189 6.1892 6.2222 6.4100 6.4450 6.8550 6.8758 7.0021 7.0299 7.5228 7.5454 7.7104 7.7300 8.0573 8.0662 8.3010 8.3070 8.5901 8.5941 10.1221 10.1250 10.8911 10.8970 11.9498 11.9597 12.0228 12.0295 12.3088 12.3147 12.4860 12.4953 k = 0.0000 0.0000 0.0000 ( 6705 PWs) bands (ev): -4.4440 -4.4440 -2.6178 -2.6178 -2.3192 -2.3192 -1.0282 -1.0282 0.5464 0.5464 0.9850 0.9850 1.8387 1.8387 2.2048 2.2048 2.5222 2.5222 3.4034 3.4034 3.5415 3.5415 3.7622 3.7622 3.8788 3.8788 4.0831 4.0831 4.4152 4.4152 4.5245 4.5245 4.6856 4.6856 4.8040 4.8040 4.9150 4.9150 5.2770 5.2770 5.4150 5.4150 5.6674 5.6674 5.9055 5.9055 6.2024 6.2024 6.4269 6.4269 6.8647 6.8647 7.0160 7.0160 7.5351 7.5351 7.7178 7.7178 8.0630 8.0630 8.3050 8.3050 8.5950 8.5950 10.1139 10.1139 10.8851 10.8851 11.9554 11.9554 12.0288 12.0288 12.3113 12.3113 12.4912 12.4912 k = 0.0000 0.0000 0.0000 ( 6705 PWs) bands (ev): -4.4440 -4.4440 -2.6178 -2.6178 -2.3192 -2.3192 -1.0282 -1.0282 0.5464 0.5464 0.9850 0.9850 1.8387 1.8387 2.2048 2.2048 2.5222 2.5222 3.4034 3.4034 3.5415 3.5415 3.7622 3.7622 3.8788 3.8788 4.0831 4.0831 4.4152 4.4152 4.5245 4.5245 4.6856 4.6856 4.8040 4.8040 4.9150 4.9150 5.2770 5.2770 5.4150 5.4150 5.6674 5.6674 5.9055 5.9055 6.2024 6.2024 6.4269 6.4269 6.8647 6.8647 7.0160 7.0160 7.5351 7.5351 7.7178 7.7178 8.0630 8.0630 8.3050 8.3050 8.5950 8.5950 10.1139 10.1139 10.8851 10.8851 11.9554 11.9554 12.0288 12.0288 12.3113 12.3113 12.4912 12.4912 k =-0.0128-0.0042 0.0067 ( 6709 PWs) bands (ev): -4.4430 -4.4429 -2.6219 -2.6197 -2.3165 -2.3141 -1.0296 -1.0289 0.5445 0.5467 0.9846 0.9865 1.8295 1.8361 2.2001 2.2107 2.5212 2.5254 3.3975 3.4041 3.5365 3.5529 3.7453 3.7764 3.8614 3.8909 4.0717 4.0893 4.3951 4.4226 4.4985 4.5523 4.6558 4.7138 4.7912 4.8214 4.9042 4.9356 5.2682 5.2958 5.4104 5.4261 5.6641 5.6697 5.9035 5.9159 6.1906 6.2168 6.4136 6.4433 6.8426 6.8757 7.0012 7.0360 7.5316 7.5379 7.7143 7.7251 8.0576 8.0698 8.3011 8.3069 8.5899 8.5918 10.1166 10.1205 10.8862 10.8926 11.9424 11.9579 12.0171 12.0323 12.3086 12.3258 12.4809 12.4935 k =-0.0256-0.0084 0.0135 ( 6699 PWs) bands (ev): -4.4399 -4.4396 -2.6315 -2.6274 -2.3061 -2.3016 -1.0331 -1.0317 0.5411 0.5455 0.9853 0.9889 1.8096 1.8218 2.1967 2.2162 2.5225 2.5306 3.3881 3.3993 3.5374 3.5683 3.7273 3.7860 3.8409 3.8966 4.0565 4.0905 4.3691 4.4033 4.4933 4.5641 4.6368 4.7321 4.7883 4.8423 4.9040 4.9631 5.2708 5.3220 5.4116 5.4435 5.6608 5.6716 5.9100 5.9341 6.1823 6.2326 6.4044 6.4619 6.8143 6.8695 6.9975 7.0560 7.5277 7.5397 7.7146 7.7357 8.0538 8.0781 8.2954 8.3070 8.5771 8.5806 10.1286 10.1362 10.8957 10.9085 11.9179 11.9486 12.0047 12.0262 12.3161 12.3475 12.4636 12.4895 k =-0.0385-0.0126 0.0202 ( 6706 PWs) bands (ev): -4.4346 -4.4342 -2.6452 -2.6397 -2.2893 -2.2832 -1.0387 -1.0366 0.5362 0.5428 0.9870 0.9923 1.7811 1.7977 2.1933 2.2193 2.5260 2.5374 3.3771 3.3910 3.5403 3.5830 3.7098 3.7869 3.8219 3.8955 4.0406 4.0883 4.3377 4.3697 4.4981 4.5522 4.6373 4.7415 4.7938 4.8678 4.9154 4.9938 5.2836 5.3518 5.4177 5.4668 5.6596 5.6751 5.9246 5.9590 6.1780 6.2475 6.4009 6.4824 6.7824 6.8473 7.0045 7.0736 7.5238 7.5403 7.7186 7.7493 8.0516 8.0877 8.2875 8.3054 8.5572 8.5622 10.1492 10.1601 10.9133 10.9324 11.8828 11.9266 11.9944 12.0170 12.3258 12.3689 12.4439 12.4851 k =-0.0513-0.0168 0.0269 ( 6708 PWs) bands (ev): -4.4272 -4.4266 -2.6617 -2.6553 -2.2676 -2.2603 -1.0462 -1.0434 0.5299 0.5385 0.9896 0.9965 1.7466 1.7663 2.1880 2.2179 2.5315 2.5454 3.3659 3.3810 3.5394 3.5901 3.6963 3.7764 3.8099 3.8884 4.0264 4.0844 4.3028 4.3381 4.4951 4.5325 4.6473 4.7514 4.7999 4.8953 4.9394 5.0252 5.3033 5.3816 5.4281 5.4939 5.6636 5.6831 5.9464 5.9896 6.1779 6.2589 6.4053 6.5042 6.7488 6.8157 7.0162 7.0877 7.5201 7.5399 7.7259 7.7654 8.0512 8.0983 8.2776 8.3021 8.5317 8.5379 10.1777 10.1915 10.9387 10.9638 11.8417 11.8951 11.9821 12.0100 12.3271 12.3727 12.4373 12.4876 k =-0.0641-0.0210 0.0337 ( 6708 PWs) bands (ev): -4.4177 -4.4169 -2.6798 -2.6727 -2.2424 -2.2343 -1.0556 -1.0523 0.5223 0.5327 0.9929 1.0012 1.7081 1.7301 2.1793 2.2108 2.5382 2.5540 3.3546 3.3708 3.5294 3.5812 3.6894 3.7665 3.7987 3.8771 4.0148 4.0798 4.2705 4.3131 4.4795 4.5163 4.6598 4.7640 4.8058 4.9220 4.9738 5.0559 5.3248 5.4070 5.4439 5.5218 5.6754 5.6983 5.9746 6.0254 6.1823 6.2651 6.4183 6.5266 6.7151 6.7801 7.0282 7.0978 7.5167 7.5389 7.7359 7.7835 8.0525 8.1098 8.2655 8.2972 8.5019 8.5098 10.2131 10.2291 10.9709 11.0018 11.7990 11.8586 11.9667 12.0042 12.3142 12.3467 12.4546 12.4999 k =-0.0769-0.0252 0.0404 ( 6712 PWs) bands (ev): -4.4061 -4.4052 -2.6986 -2.6911 -2.2147 -2.2062 -1.0669 -1.0630 0.5133 0.5254 0.9968 1.0062 1.6673 1.6911 2.1662 2.1975 2.5449 2.5624 3.3431 3.3602 3.5077 3.5546 3.6874 3.7657 3.7834 3.8637 4.0047 4.0762 4.2459 4.2957 4.4577 4.5036 4.6718 4.7757 4.8164 4.9478 5.0127 5.0856 5.3442 5.4243 5.4671 5.5487 5.6957 5.7222 6.0084 6.0660 6.1918 6.2671 6.4376 6.5478 6.6838 6.7443 7.0386 7.1038 7.5134 7.5376 7.7475 7.8029 8.0556 8.1217 8.2513 8.2908 8.4692 8.4803 10.2542 10.2721 11.0091 11.0453 11.7575 11.8209 11.9487 11.9976 12.2875 12.3065 12.4788 12.5178 k =-0.0897-0.0294 0.0471 ( 6718 PWs) bands (ev): -4.3924 -4.3913 -2.7175 -2.7098 -2.1856 -2.1768 -1.0799 -1.0755 0.5031 0.5168 1.0009 1.0112 1.6258 1.6510 2.1484 2.1782 2.5507 2.5699 3.3301 3.3485 3.4766 3.5158 3.6868 3.7590 3.7739 3.8519 3.9944 4.0763 4.2306 4.2862 4.4360 4.4945 4.6813 4.7829 4.8358 4.9729 5.0501 5.1140 5.3604 5.4352 5.4948 5.5752 5.7231 5.7530 6.0461 6.1112 6.2062 6.2676 6.4584 6.5638 6.6595 6.7130 7.0465 7.1059 7.5099 7.5361 7.7596 7.8228 8.0601 8.1329 8.2354 8.2838 8.4355 8.4524 10.3001 10.3194 11.0519 11.0927 11.7195 11.7846 11.9289 11.9894 12.2465 12.2606 12.5009 12.5347 k =-0.1026-0.0336 0.0539 ( 6716 PWs) bands (ev): -4.3766 -4.3754 -2.7359 -2.7282 -2.1557 -2.1469 -1.0944 -1.0895 0.4917 0.5068 1.0049 1.0159 1.5847 1.6112 2.1257 2.1533 2.5546 2.5755 3.3131 3.3336 3.4414 3.4719 3.6846 3.7392 3.7703 3.8448 3.9857 4.0807 4.2237 4.2839 4.4184 4.4906 4.6879 4.7876 4.8615 4.9967 5.0811 5.1406 5.3759 5.4431 5.5234 5.6030 5.7554 5.7875 6.0853 6.1603 6.2241 6.2718 6.4740 6.5674 6.6473 6.6956 7.0515 7.1044 7.5058 7.5345 7.7711 7.8422 8.0651 8.1418 8.2187 8.2780 8.4026 8.4284 10.3496 10.3701 11.0979 11.1421 11.6859 11.7511 11.9086 11.9798 12.1910 12.2108 12.5160 12.5442 k =-0.1154-0.0378 0.0606 ( 6719 PWs) bands (ev): -4.3588 -4.3574 -2.7537 -2.7460 -2.1256 -2.1170 -1.1101 -1.1050 0.4791 0.4955 1.0083 1.0199 1.5451 1.5729 2.0984 2.1234 2.5560 2.5785 3.2883 3.3123 3.4072 3.4294 3.6770 3.7220 3.7601 3.8395 3.9827 4.0876 4.2228 4.2875 4.4083 4.4932 4.6921 4.7924 4.8891 5.0185 5.1021 5.1652 5.3939 5.4503 5.5516 5.6319 5.7900 5.8229 6.1226 6.2094 6.2415 6.2882 6.4770 6.5571 6.6474 6.7025 7.0536 7.0999 7.5004 7.5324 7.7806 7.8599 8.0686 8.1457 8.2039 8.2773 8.3725 8.4101 10.4021 10.4236 11.1451 11.1914 11.6572 11.7204 11.8892 11.9698 12.1260 12.1548 12.5182 12.5425 k =-0.1282-0.0420 0.0673 ( 6719 PWs) bands (ev): -4.3390 -4.3374 -2.7705 -2.7629 -2.0961 -2.0878 -1.1269 -1.1215 0.4655 0.4830 1.0106 1.0229 1.5078 1.5368 2.0670 2.0893 2.5545 2.5786 3.2535 3.2817 3.3765 3.3935 3.6619 3.7116 3.7489 3.8311 3.9861 4.0935 4.2266 4.2960 4.4086 4.5021 4.6947 4.7988 4.9152 5.0370 5.1127 5.1878 5.4153 5.4591 5.5793 5.6606 5.8248 5.8583 6.1551 6.2365 6.2765 6.3192 6.4675 6.5389 6.6630 6.7281 7.0531 7.0931 7.4929 7.5291 7.7870 7.8746 8.0674 8.1425 8.1962 8.2851 8.3466 8.3980 10.4568 10.4792 11.1915 11.2382 11.6327 11.6916 11.8702 11.9568 12.0579 12.0976 12.5036 12.5329 k =-0.1410-0.0462 0.0741 ( 6725 PWs) bands (ev): -4.3171 -4.3154 -2.7861 -2.7787 -2.0678 -2.0599 -1.1444 -1.1388 0.4509 0.4694 1.0113 1.0242 1.4735 1.5038 2.0320 2.0516 2.5499 2.5755 3.2106 3.2417 3.3481 3.3639 3.6437 3.7048 3.7424 3.8207 3.9921 4.0953 4.2352 4.3091 4.4203 4.5169 4.6964 4.8070 4.9362 5.0495 5.1177 5.2092 5.4381 5.4709 5.6071 5.6872 5.8584 5.8934 6.1792 6.2482 6.3260 6.3567 6.4542 6.5204 6.6931 6.7636 7.0503 7.0848 7.4818 7.5244 7.7895 7.8848 8.0600 8.1331 8.2000 8.3013 8.3266 8.3922 10.5131 10.5364 11.2348 11.2806 11.6108 11.6632 11.8440 11.9202 12.0109 12.0533 12.4801 12.5162 k =-0.1538-0.0504 0.0808 ( 6726 PWs) bands (ev): -4.2933 -4.2915 -2.8006 -2.7934 -2.0411 -2.0339 -1.1622 -1.1565 0.4353 0.4547 1.0098 1.0235 1.4428 1.4743 1.9942 2.0114 2.5421 2.5690 3.1639 3.1959 3.3197 3.3354 3.6273 3.6985 3.7434 3.8119 3.9961 4.0919 4.2481 4.3271 4.4415 4.5366 4.6979 4.8170 4.9480 5.0521 5.1259 5.2305 5.4592 5.4863 5.6351 5.7100 5.8898 5.9278 6.1923 6.2639 6.3647 6.3964 6.4474 6.5097 6.7337 6.8055 7.0459 7.0761 7.4659 7.5177 7.7879 7.8889 8.0493 8.1224 8.2127 8.3081 8.3299 8.3926 10.5706 10.5947 11.2716 11.3170 11.5900 11.6348 11.7977 11.8440 12.0054 12.0395 12.4563 12.4958 k =-0.1667-0.0546 0.0875 ( 6724 PWs) bands (ev): -4.2676 -4.2657 -2.8138 -2.8068 -2.0169 -2.0105 -1.1799 -1.1742 0.4189 0.4390 1.0056 1.0202 1.4161 1.4488 1.9545 1.9695 2.5313 2.5592 3.1166 3.1481 3.2884 3.3045 3.6146 3.6933 3.7510 3.8080 3.9965 4.0846 4.2640 4.3494 4.4688 4.5609 4.7000 4.8285 4.9476 5.0437 5.1432 5.2526 5.4777 5.5038 5.6626 5.7284 5.9187 5.9601 6.1965 6.2815 6.3771 6.4310 6.4632 6.5153 6.7822 6.8523 7.0406 7.0686 7.4439 7.5081 7.7830 7.8864 8.0396 8.1151 8.2272 8.3032 8.3587 8.4003 10.6287 10.6536 11.2968 11.3464 11.5691 11.6067 11.7316 11.7575 12.0223 12.0533 12.4386 12.4785 k =-0.1795-0.0588 0.0943 ( 6723 PWs) bands (ev): -4.2401 -4.2380 -2.8256 -2.8189 -1.9958 -1.9902 -1.1969 -1.1911 0.4015 0.4223 0.9983 1.0139 1.3937 1.4273 1.9140 1.9271 2.5176 2.5464 3.0707 3.1008 3.2526 3.2704 3.6059 3.6896 3.7642 3.8110 3.9936 4.0752 4.2809 4.3741 4.4990 4.5889 4.7034 4.8410 4.9358 5.0282 5.1680 5.2757 5.4944 5.5210 5.6880 5.7427 5.9451 5.9885 6.1965 6.2938 6.3746 6.4411 6.5106 6.5403 6.8353 6.9025 7.0351 7.0643 7.4160 7.4947 7.7765 7.8778 8.0334 8.1130 8.2375 8.3075 8.3910 8.4181 10.6869 10.7124 11.3029 11.3657 11.5425 11.5740 11.6604 11.6921 12.0498 12.0799 12.4329 12.4714 k =-0.1923-0.0630 0.1010 ( 6722 PWs) bands (ev): -4.2107 -4.2084 -2.8361 -2.8297 -1.9787 -1.9738 -1.2127 -1.2068 0.3832 0.4046 0.9878 1.0044 1.3754 1.4096 1.8739 1.8854 2.5012 2.5308 3.0271 3.0554 3.2125 3.2333 3.6010 3.6875 3.7820 3.8212 3.9888 4.0658 4.2973 4.3985 4.5288 4.6195 4.7087 4.8539 4.9169 5.0100 5.1967 5.2987 5.5101 5.5371 5.7094 5.7540 5.9690 6.0117 6.1946 6.2969 6.3705 6.4436 6.5630 6.5832 6.8870 6.9539 7.0316 7.0664 7.3832 7.4772 7.7702 7.8648 8.0308 8.1168 8.2430 8.3187 8.4234 8.4493 10.7441 10.7698 11.2850 11.3667 11.4913 11.5165 11.6301 11.6718 12.0783 12.1077 12.4448 12.4809 k =-0.2051-0.0672 0.1078 ( 6725 PWs) bands (ev): -4.1795 -4.1771 -2.8452 -2.8391 -1.9662 -1.9619 -1.2267 -1.2206 0.3639 0.3858 0.9742 0.9917 1.3607 1.3951 1.8356 1.8458 2.4825 2.5127 2.9863 3.0124 3.1690 3.1935 3.5995 3.6870 3.8036 3.8377 3.9837 4.0579 4.3120 4.4202 4.5549 4.6504 4.7157 4.8658 4.8972 4.9932 5.2262 5.3202 5.5250 5.5523 5.7247 5.7634 5.9904 6.0293 6.1916 6.2904 6.3693 6.4436 6.6107 6.6429 6.9290 6.9993 7.0384 7.0789 7.3472 7.4567 7.7652 7.8490 8.0314 8.1264 8.2471 8.3318 8.4590 8.4905 10.7980 10.8236 11.2465 11.3377 11.4192 11.4509 11.6485 11.6927 12.1003 12.1306 12.4767 12.5118 k =-0.2179-0.0714 0.1145 ( 6726 PWs) bands (ev): -4.1466 -4.1441 -2.8530 -2.8472 -1.9592 -1.9548 -1.2385 -1.2318 0.3436 0.3658 0.9578 0.9760 1.3490 1.3830 1.8004 1.8097 2.4617 2.4925 2.9486 2.9723 3.1237 3.1515 3.6010 3.6883 3.8274 3.8588 3.9796 4.0529 4.3245 4.4379 4.5738 4.6781 4.7221 4.8731 4.8861 4.9840 5.2541 5.3386 5.5392 5.5676 5.7337 5.7713 6.0093 6.0422 6.1871 6.2766 6.3709 6.4423 6.6581 6.7077 6.9563 7.0190 7.0752 7.1035 7.3112 7.4363 7.7612 7.8313 8.0354 8.1416 8.2525 8.3441 8.5004 8.5367 10.8434 10.8695 11.1982 11.2731 11.3628 11.3920 11.6923 11.7388 12.1136 12.1482 12.5252 12.5631 k =-0.2308-0.0756 0.1212 ( 6732 PWs) bands (ev): -4.1120 -4.1094 -2.8595 -2.8541 -1.9582 -1.9531 -1.2475 -1.2402 0.3221 0.3445 0.9392 0.9578 1.3393 1.3724 1.7698 1.7784 2.4392 2.4703 2.9138 2.9349 3.0776 3.1081 3.6052 3.6917 3.8511 3.8829 3.9783 4.0519 4.3345 4.4507 4.5833 4.6926 4.7308 4.8672 4.8972 4.9885 5.2784 5.3529 5.5523 5.5838 5.7380 5.7765 6.0253 6.0517 6.1804 6.2581 6.3747 6.4404 6.7040 6.7682 6.9752 7.0334 7.1136 7.1394 7.2803 7.4210 7.7569 7.8126 8.0436 8.1618 8.2598 8.3556 8.5471 8.5860 10.8676 10.8985 11.1571 11.2045 11.3179 11.3429 11.7507 11.8015 12.1213 12.1637 12.5836 12.6280 k =-0.2436-0.0798 0.1280 ( 6740 PWs) bands (ev): -4.0758 -4.0731 -2.8649 -2.8597 -1.9633 -1.9570 -1.2535 -1.2455 0.2992 0.3215 0.9190 0.9379 1.3306 1.3623 1.7449 1.7530 2.4152 2.4466 2.8814 2.9000 3.0320 3.0642 3.6118 3.6972 3.8716 3.9081 3.9815 4.0556 4.3421 4.4578 4.5835 4.6835 4.7516 4.8565 4.9240 5.0069 5.2973 5.3624 5.5643 5.6012 5.7399 5.7783 6.0375 6.0582 6.1722 6.2376 6.3800 6.4378 6.7435 6.8147 6.9974 7.0570 7.1314 7.1779 7.2660 7.4162 7.7507 7.7937 8.0570 8.1859 8.2695 8.3671 8.5978 8.6375 10.8537 10.8932 11.1372 11.1716 11.2790 11.3035 11.8174 11.8766 12.1278 12.1815 12.6434 12.6959 k =-0.2564-0.0840 0.1347 ( 6740 PWs) bands (ev): -4.0381 -4.0352 -2.8691 -2.8643 -1.9742 -1.9667 -1.2564 -1.2478 0.2746 0.2967 0.8981 0.9171 1.3222 1.3522 1.7265 1.7345 2.3900 2.4218 2.8508 2.8672 2.9883 3.0208 3.6203 3.7049 3.8867 3.9314 3.9914 4.0643 4.3477 4.4584 4.5770 4.6655 4.7754 4.8461 4.9603 5.0348 5.3096 5.3675 5.5750 5.6186 5.7411 5.7771 6.0438 6.0615 6.1641 6.2194 6.3855 6.4336 6.7720 6.8417 7.0258 7.0903 7.1308 7.2057 7.2812 7.4247 7.7411 7.7757 8.0758 8.2123 8.2825 8.3792 8.6515 8.6906 10.8053 10.8446 11.1377 11.1754 11.2572 11.2771 11.8874 11.9613 12.1369 12.2063 12.6960 12.7541 k =-0.2692-0.0882 0.1414 ( 6741 PWs) bands (ev): -3.9989 -3.9960 -2.8724 -2.8679 -1.9907 -1.9819 -1.2565 -1.2473 0.2481 0.2698 0.8772 0.8961 1.3136 1.3415 1.7150 1.7231 2.3640 2.3961 2.8203 2.8362 2.9479 2.9789 3.6305 3.7143 3.8965 3.9490 4.0087 4.0765 4.3522 4.4521 4.5678 4.6481 4.7977 4.8389 5.0003 5.0675 5.3144 5.3692 5.5842 5.6339 5.7431 5.7746 6.0411 6.0623 6.1567 6.2090 6.3894 6.4264 6.7885 6.8544 7.0477 7.1005 7.1504 7.2363 7.3154 7.4443 7.7274 7.7599 8.0993 8.2376 8.3008 8.3933 8.7071 8.7449 10.7409 10.7733 11.1328 11.1774 11.2633 11.2846 11.9551 12.0519 12.1521 12.2434 12.7374 12.7937 k =-0.2821-0.0924 0.1482 ( 6732 PWs) bands (ev): -3.9583 -3.9553 -2.8749 -2.8707 -2.0121 -2.0021 -1.2542 -1.2445 0.2196 0.2405 0.8573 0.8759 1.3047 1.3304 1.7103 1.7187 2.3376 2.3699 2.7878 2.8064 2.9124 2.9402 3.6415 3.7253 3.9023 3.9599 4.0304 4.0897 4.3572 4.4410 4.5600 4.6348 4.8179 4.8360 5.0391 5.1012 5.3118 5.3694 5.5913 5.6447 5.7459 5.7737 6.0292 6.0607 6.1500 6.2101 6.3894 6.4152 6.7960 6.8612 7.0525 7.0836 7.2014 7.2760 7.3571 7.4704 7.7111 7.7467 8.1258 8.2581 8.3272 8.4106 8.7640 8.7999 10.6725 10.6983 11.1133 11.1631 11.2967 11.3246 12.0152 12.1320 12.1887 12.2976 12.7706 12.8208 k =-0.2949-0.0966 0.1549 ( 6725 PWs) bands (ev): -3.9165 -3.9134 -2.8769 -2.8729 -2.0376 -2.0267 -1.2499 -1.2401 0.1889 0.2089 0.8391 0.8572 1.2957 1.3191 1.7120 1.7207 2.3109 2.3436 2.7521 2.7767 2.8830 2.9065 3.6529 3.7369 3.9052 3.9648 4.0512 4.1017 4.3636 4.4308 4.5554 4.6265 4.8353 4.8380 5.0716 5.1329 5.3031 5.3707 5.5955 5.6494 5.7476 5.7778 6.0119 6.0569 6.1456 6.2204 6.3825 6.4013 6.7992 6.8666 7.0451 7.0675 7.2544 7.3114 7.4071 7.5001 7.6941 7.7362 8.1529 8.2725 8.3617 8.4331 8.8212 8.8551 10.6058 10.6292 11.0924 11.1440 11.3449 11.3745 12.0657 12.1699 12.2770 12.3699 12.7995 12.8439 k =-0.3077-0.1008 0.1616 ( 6726 PWs) bands (ev): -3.8735 -3.8703 -2.8786 -2.8747 -2.0664 -2.0548 -1.2443 -1.2345 0.1561 0.1749 0.8233 0.8406 1.2869 1.3081 1.7192 1.7282 2.2843 2.3173 2.7134 2.7454 2.8599 2.8796 3.6636 3.7480 3.9052 3.9632 4.0671 4.1135 4.3717 4.4284 4.5545 4.6231 4.8406 4.8545 5.0914 5.1598 5.2917 5.3764 5.5963 5.6484 5.7477 5.7864 5.9928 6.0529 6.1444 6.2363 6.3652 6.3885 6.8013 6.8718 7.0347 7.0551 7.2987 7.3350 7.4623 7.5327 7.6790 7.7298 8.1782 8.2826 8.4019 8.4623 8.8781 8.9102 10.5444 10.5702 11.0764 11.1284 11.3974 11.4263 12.1086 12.1969 12.3828 12.4562 12.8263 12.8660 k =-0.3205-0.1050 0.1684 ( 6722 PWs) bands (ev): -3.8294 -3.8261 -2.8803 -2.8765 -2.0977 -2.0855 -1.2380 -1.2283 0.1214 0.1390 0.8102 0.8266 1.2785 1.2977 1.7313 1.7405 2.2581 2.2915 2.6727 2.7114 2.8427 2.8603 3.6723 3.7565 3.9016 3.9543 4.0774 4.1289 4.3811 4.4367 4.5575 4.6241 4.8468 4.8720 5.0944 5.1760 5.2852 5.3882 5.5936 5.6426 5.7473 5.7956 5.9742 6.0501 6.1459 6.2555 6.3403 6.3771 6.8037 6.8756 7.0276 7.0472 7.3252 7.3508 7.5131 7.5659 7.6691 7.7303 8.2000 8.2895 8.4463 8.4987 8.9337 8.9644 10.4917 10.5232 11.0677 11.1190 11.4502 11.4772 12.1477 12.2248 12.4905 12.5491 12.8505 12.8872 k =-0.3333-0.1092 0.1751 ( 6724 PWs) bands (ev): -3.7843 -3.7810 -2.8825 -2.8786 -2.1305 -2.1180 -1.2314 -1.2221 0.0853 0.1016 0.8000 0.8153 1.2709 1.2882 1.7473 1.7566 2.2325 2.2664 2.6311 2.6750 2.8311 2.8479 3.6769 3.7588 3.8950 3.9392 4.0864 4.1498 4.3924 4.4519 4.5650 4.6288 4.8540 4.8897 5.0818 5.1732 5.2931 5.4048 5.5880 5.6329 5.7472 5.8020 5.9579 6.0477 6.1501 6.2769 6.3130 6.3672 6.8056 6.8755 7.0270 7.0454 7.3331 7.3602 7.5505 7.5887 7.6737 7.7408 8.2176 8.2941 8.4947 8.5419 8.9873 9.0173 10.4509 10.4893 11.0673 11.1172 11.5012 11.5254 12.1854 12.2544 12.5928 12.6393 12.8688 12.9066 k =-0.3462-0.1134 0.1818 ( 6723 PWs) bands (ev): -3.7384 -3.7350 -2.8854 -2.8815 -2.1641 -2.1515 -1.2250 -1.2162 0.0484 0.0633 0.7926 0.8069 1.2641 1.2798 1.7667 1.7758 2.2076 2.2423 2.5895 2.6370 2.8247 2.8413 3.6743 3.7497 3.8887 3.9233 4.0994 4.1761 4.4050 4.4686 4.5771 4.6366 4.8604 4.9069 5.0590 5.1557 5.3128 5.4227 5.5797 5.6192 5.7477 5.8042 5.9443 6.0435 6.1569 6.2830 6.3040 6.3617 6.8057 6.8701 7.0339 7.0512 7.3299 7.3605 7.5683 7.5923 7.6996 7.7607 8.2311 8.2969 8.5468 8.5906 9.0381 9.0681 10.4240 10.4695 11.0753 11.1234 11.5495 11.5700 12.2222 12.2848 12.6753 12.7123 12.8752 12.9237 k =-0.3590-0.1176 0.1886 ( 6725 PWs) bands (ev): -3.6917 -3.6884 -2.8896 -2.8856 -2.1976 -2.1849 -1.2192 -1.2110 0.0113 0.0248 0.7879 0.8011 1.2584 1.2726 1.7887 1.7974 2.1838 2.2193 2.5484 2.5986 2.8233 2.8397 3.6605 3.7253 3.8852 3.9154 4.1186 4.2067 4.4170 4.4835 4.5930 4.6469 4.8631 4.9213 5.0337 5.1357 5.3356 5.4383 5.5689 5.6013 5.7489 5.8024 5.9333 6.0362 6.1652 6.2600 6.3292 6.3629 6.8032 6.8597 7.0476 7.0644 7.3202 7.3526 7.5659 7.5885 7.7338 7.7836 8.2414 8.2984 8.6017 8.6439 9.0856 9.1164 10.4125 10.4650 11.0914 11.1379 11.5939 11.6109 12.2569 12.3136 12.6989 12.7444 12.8822 12.9424 k =-0.3718-0.1218 0.1953 ( 6725 PWs) bands (ev): -3.6445 -3.6412 -2.8956 -2.8916 -2.2301 -2.2177 -1.2141 -1.2066 -0.0253 -0.0130 0.7855 0.7977 1.2537 1.2665 1.8127 1.8208 2.1612 2.1979 2.5083 2.5603 2.8265 2.8427 3.6333 3.6873 3.8853 3.9206 4.1433 4.2407 4.4266 4.4955 4.6109 4.6584 4.8576 4.9251 5.0177 5.1228 5.3566 5.4490 5.5555 5.5803 5.7506 5.7979 5.9243 6.0266 6.1729 6.2409 6.3565 6.3722 6.7986 6.8461 7.0669 7.0837 7.3065 7.3387 7.5519 7.5824 7.7642 7.8021 8.2491 8.2990 8.6585 8.7005 9.1295 9.1620 10.4171 10.4763 11.1150 11.1599 11.6336 11.6480 12.2855 12.3358 12.6499 12.7101 12.9123 12.9683 k =-0.3846-0.1260 0.2020 ( 6724 PWs) bands (ev): -3.5969 -3.5936 -2.9039 -2.8998 -2.2609 -2.2489 -1.2099 -1.2031 -0.0606 -0.0495 0.7851 0.7962 1.2500 1.2614 1.8381 1.8454 2.1400 2.1782 2.4696 2.5227 2.8343 2.8500 3.5944 3.6396 3.8919 3.9351 4.1719 4.2767 4.4331 4.5044 4.6287 4.6699 4.8404 4.9116 5.0220 5.1224 5.3727 5.4526 5.5370 5.5606 5.7522 5.7928 5.9167 6.0164 6.1782 6.2279 6.3797 6.3916 6.7937 6.8318 7.0904 7.1065 7.2905 7.3210 7.5340 7.5731 7.7857 7.8123 8.2551 8.2989 8.7159 8.7584 9.1699 9.2049 10.4378 10.5033 11.1448 11.1887 11.6674 11.6822 12.2990 12.3377 12.5800 12.6403 12.9431 12.9922 k =-0.3974-0.1302 0.2088 ( 6730 PWs) bands (ev): -3.5492 -3.5459 -2.9151 -2.9110 -2.2892 -2.2778 -1.2067 -1.2006 -0.0939 -0.0840 0.7862 0.7962 1.2471 1.2573 1.8644 1.8709 2.1203 2.1605 2.4325 2.4862 2.8464 2.8615 3.5474 3.5859 3.9055 3.9548 4.2025 4.3127 4.4365 4.5102 4.6449 4.6803 4.8132 4.8893 5.0404 5.1337 5.3802 5.4494 5.5109 5.5489 5.7531 5.7889 5.9103 6.0071 6.1802 6.2221 6.3959 6.4174 6.7911 6.8196 7.1165 7.1303 7.2743 7.3011 7.5148 7.5619 7.7959 7.8130 8.2600 8.2985 8.7725 8.8152 9.2076 9.2454 10.4741 10.5453 11.1793 11.2228 11.6946 11.7138 12.2772 12.2964 12.5385 12.5803 12.9637 13.0084 k =-0.4103-0.1344 0.2155 ( 6727 PWs) bands (ev): -3.5015 -3.4983 -2.9296 -2.9255 -2.3145 -2.3039 -1.2044 -1.1990 -0.1246 -0.1158 0.7884 0.7973 1.2451 1.2539 1.8908 1.8968 2.1023 2.1451 2.3972 2.4509 2.8630 2.8772 3.4956 3.5289 3.9245 3.9780 4.2328 4.3461 4.4373 4.5126 4.6580 4.6899 4.7822 4.8683 5.0631 5.1506 5.3748 5.4430 5.4840 5.5439 5.7529 5.7878 5.9050 5.9991 6.1799 6.2230 6.4071 6.4395 6.7938 6.8129 7.1415 7.1529 7.2608 7.2812 7.4952 7.5502 7.7924 7.8065 8.2641 8.2978 8.8266 8.8682 9.2434 9.2839 10.5249 10.6011 11.2164 11.2603 11.7156 11.7421 12.1937 12.2237 12.5351 12.5550 12.9762 13.0177 k =-0.4231-0.1386 0.2222 ( 6721 PWs) bands (ev): -3.4542 -3.4511 -2.9475 -2.9436 -2.3362 -2.3268 -1.2029 -1.1982 -0.1521 -0.1444 0.7913 0.7990 1.2437 1.2513 1.9160 1.9231 2.0862 2.1323 2.3642 2.4171 2.8837 2.8970 3.4415 3.4705 3.9476 4.0035 4.2603 4.3729 4.4362 4.5123 4.6668 4.6984 4.7566 4.8542 5.0832 5.1647 5.3585 5.4309 5.4687 5.5421 5.7525 5.7896 5.9004 5.9920 6.1798 6.2288 6.4108 6.4527 6.8044 6.8151 7.1546 7.1743 7.2518 7.2697 7.4758 7.5395 7.7751 7.7951 8.2679 8.2968 8.8764 8.9150 9.2783 9.3204 10.5885 10.6687 11.2541 11.2988 11.7298 11.7663 12.0803 12.1285 12.5469 12.5560 12.9841 13.0226 k =-0.4359-0.1428 0.2290 ( 6716 PWs) bands (ev): -3.4078 -3.4047 -2.9689 -2.9653 -2.3542 -2.3460 -1.2021 -1.1981 -0.1759 -0.1694 0.7945 0.8011 1.2428 1.2492 1.9391 1.9496 2.0722 2.1221 2.3340 2.3850 2.9086 2.9208 3.3869 3.4120 3.9737 4.0305 4.2815 4.3880 4.4350 4.5102 4.6719 4.6984 4.7513 4.8489 5.0938 5.1662 5.3425 5.4157 5.4668 5.5411 5.7530 5.7936 5.8963 5.9846 6.1825 6.2378 6.4056 6.4547 6.8228 6.8285 7.1498 7.1843 7.2491 7.2803 7.4570 7.5308 7.7488 7.7777 8.2715 8.2956 8.9201 8.9540 9.3126 9.3544 10.6630 10.7459 11.2896 11.3357 11.7345 11.7847 11.9627 12.0258 12.5605 12.5663 12.9906 13.0256 k =-0.4487-0.1470 0.2357 ( 6714 PWs) bands (ev): -3.3628 -3.3599 -2.9933 -2.9901 -2.3684 -2.3616 -1.2017 -1.1985 -0.1957 -0.1904 0.7977 0.8031 1.2424 1.2476 1.9594 1.9750 2.0607 2.1145 2.3074 2.3550 2.9371 2.9482 3.3331 3.3548 4.0019 4.0578 4.2928 4.3877 4.4364 4.5073 4.6751 4.6912 4.7700 4.8531 5.0891 5.1481 5.3372 5.4081 5.4697 5.5394 5.7554 5.7985 5.8931 5.9756 6.1892 6.2488 6.3928 6.4459 6.8463 6.8534 7.1336 7.1709 7.2649 7.3056 7.4391 7.5244 7.7178 7.7548 8.2749 8.2942 8.9565 8.9845 9.3460 9.3846 10.7463 10.8298 11.3200 11.3680 11.7202 11.7840 11.8630 11.9357 12.5715 12.5765 12.9982 13.0288 k =-0.4615-0.1512 0.2424 ( 6712 PWs) bands (ev): -3.3204 -3.3178 -3.0198 -3.0169 -2.3788 -2.3737 -1.2016 -1.1992 -0.2112 -0.2071 0.8007 0.8048 1.2424 1.2463 1.9764 1.9974 2.0532 2.1086 2.2858 2.3276 2.9685 2.9786 3.2819 3.3001 4.0312 4.0834 4.2939 4.3731 4.4428 4.5027 4.6774 4.6881 4.8017 4.8664 5.0679 5.1128 5.3441 5.4073 5.4754 5.5360 5.7605 5.8023 5.8924 5.9642 6.2006 6.2602 6.3759 6.4292 6.8741 6.8842 7.1126 7.1461 7.2885 7.3366 7.4235 7.5190 7.6865 7.7284 8.2781 8.2926 8.9852 9.0065 9.3769 9.4092 10.8354 10.9164 11.3416 11.3927 11.6713 11.7134 11.8392 11.8811 12.5791 12.5835 13.0079 13.0331 k =-0.4744-0.1554 0.2492 ( 6715 PWs) bands (ev): -3.2826 -3.2804 -3.0460 -3.0437 -2.3858 -2.3823 -1.2015 -1.1999 -0.2221 -0.2194 0.8032 0.8059 1.2426 1.2453 1.9899 2.0115 2.0539 2.1026 2.2714 2.3034 3.0011 3.0100 3.2356 3.2501 4.0601 4.1033 4.2901 4.3499 4.4530 4.4956 4.6805 4.6882 4.8413 4.8880 5.0352 5.0681 5.3582 5.4062 5.4849 5.5302 5.7682 5.8022 5.8962 5.9504 6.2161 6.2684 6.3612 6.4082 6.9034 6.9148 7.0913 7.1185 7.3121 7.3633 7.4163 7.5107 7.6616 7.7010 8.2811 8.2908 9.0062 9.0205 9.4032 9.4265 10.9257 10.9984 11.3505 11.4045 11.6000 11.6260 11.8446 11.8615 12.5836 12.5870 13.0193 13.0376 k =-0.4872-0.1596 0.2559 ( 6721 PWs) bands (ev): -3.2537 -3.2523 -3.0674 -3.0660 -2.3895 -2.3877 -1.2014 -1.2006 -0.2285 -0.2271 0.8050 0.8064 1.2431 1.2444 2.0002 2.0131 2.0658 2.0939 2.2661 2.2838 3.0310 3.0372 3.2000 3.2091 4.0862 4.1118 4.2908 4.3243 4.4647 4.4866 4.6840 4.6882 4.8844 4.9140 4.9996 5.0221 5.3744 5.4003 5.4974 5.5216 5.7779 5.7972 5.9056 5.9350 6.2347 6.2668 6.3572 6.3863 6.9292 6.9381 7.0758 7.0925 7.3336 7.3661 7.4340 7.4933 7.6511 7.6759 8.2839 8.2887 9.0200 9.0272 9.4227 9.4349 11.0082 11.0578 11.3495 11.3938 11.5467 11.5618 11.8504 11.8563 12.5861 12.5880 13.0301 13.0399 k =-0.5000-0.1638 0.2626 ( 6724 PWs) bands (ev): -3.2417 -3.2417 -3.0759 -3.0759 -2.3901 -2.3901 -1.2011 -1.2011 -0.2302 -0.2302 0.8061 0.8061 1.2437 1.2437 2.0081 2.0081 2.0811 2.0811 2.2707 2.2707 3.0472 3.0472 3.1882 3.1882 4.1052 4.1052 4.3027 4.3027 4.4761 4.4761 4.6868 4.6868 4.9198 4.9198 4.9879 4.9879 5.3892 5.3892 5.5103 5.5103 5.7883 5.7883 5.9194 5.9194 6.2534 6.2534 6.3675 6.3675 6.9438 6.9438 7.0755 7.0755 7.3523 7.3523 7.4654 7.4654 7.6574 7.6574 8.2864 8.2864 9.0270 9.0270 9.4336 9.4336 11.0626 11.0626 11.3633 11.3633 11.5348 11.5348 11.8540 11.8540 12.5875 12.5875 13.0377 13.0377 k =-0.5000-0.6283 0.2398 ( 6724 PWs) bands (ev): -2.9479 -2.9479 -2.7323 -2.7323 -2.5945 -2.5945 -1.7928 -1.7928 -0.2652 -0.2652 0.7639 0.7639 0.9323 0.9323 1.6585 1.6585 2.0506 2.0506 2.6624 2.6624 3.3002 3.3002 3.7647 3.7647 4.0429 4.0429 4.1295 4.1295 4.4413 4.4413 4.7741 4.7741 4.8940 4.8940 5.1809 5.1809 5.2780 5.2780 5.4580 5.4580 5.6472 5.6472 5.8533 5.8533 6.0787 6.0787 6.5140 6.5140 6.7418 6.7418 7.0767 7.0767 7.2767 7.2767 7.5800 7.5800 7.9298 7.9298 8.4352 8.4352 8.7532 8.7532 9.2760 9.2760 11.1736 11.1736 12.0812 12.0812 12.3608 12.3608 12.7127 12.7127 12.7920 12.7920 12.9186 12.9186 k =-0.4909-0.6169 0.2355 ( 6733 PWs) bands (ev): -2.9483 -2.9478 -2.7330 -2.7320 -2.5938 -2.5929 -1.7948 -1.7940 -0.2659 -0.2645 0.7581 0.7631 0.9312 0.9342 1.6573 1.6613 2.0517 2.0567 2.6631 2.6644 3.3001 3.3034 3.7658 3.7672 4.0232 4.0590 4.1172 4.1386 4.4195 4.4527 4.7572 4.7854 4.8665 4.9031 5.1780 5.2079 5.2605 5.3048 5.4534 5.4666 5.6383 5.6564 5.8480 5.8602 6.0740 6.0878 6.5027 6.5223 6.7290 6.7552 7.0703 7.0765 7.2740 7.2829 7.5827 7.5850 7.9267 7.9345 8.4247 8.4386 8.7460 8.7582 9.2726 9.2808 11.1696 11.1757 12.0655 12.0873 12.3544 12.3731 12.6942 12.7171 12.7848 12.7984 12.9188 12.9250 k =-0.4818-0.6055 0.2311 ( 6737 PWs) bands (ev): -2.9491 -2.9480 -2.7340 -2.7322 -2.5907 -2.5890 -1.7999 -1.7983 -0.2665 -0.2637 0.7454 0.7546 0.9327 0.9379 1.6579 1.6653 2.0599 2.0696 2.6664 2.6688 3.3032 3.3100 3.7701 3.7731 4.0003 4.0681 4.1042 4.1447 4.3906 4.4520 4.7357 4.7903 4.8363 4.8940 5.1948 5.2423 5.2507 5.3414 5.4553 5.4814 5.6295 5.6672 5.8442 5.8691 6.0737 6.1009 6.4895 6.5261 6.7185 6.7680 7.0589 7.0698 7.2747 7.2910 7.5935 7.5972 7.9252 7.9409 8.4074 8.4351 8.7372 8.7606 9.2708 9.2866 11.1638 11.1759 12.0427 12.0826 12.3549 12.3881 12.6659 12.7048 12.7807 12.8012 12.9248 12.9371 k =-0.4727-0.5941 0.2268 ( 6736 PWs) bands (ev): -2.9504 -2.9488 -2.7350 -2.7325 -2.5855 -2.5831 -1.8079 -1.8056 -0.2669 -0.2628 0.7245 0.7362 0.9400 0.9457 1.6594 1.6696 2.0748 2.0883 2.6717 2.6752 3.3094 3.3197 3.7771 3.7821 3.9743 4.0563 4.1027 4.1480 4.3593 4.4391 4.7127 4.7846 4.8169 4.8820 5.2093 5.2360 5.2869 5.3744 5.4678 5.5091 5.6213 5.6822 5.8420 5.8804 6.0779 6.1179 6.4753 6.5241 6.7123 6.7796 7.0448 7.0586 7.2776 7.2992 7.6117 7.6158 7.9252 7.9486 8.3841 8.4252 8.7274 8.7602 9.2703 9.2927 11.1564 11.1742 12.0147 12.0675 12.3597 12.4015 12.6313 12.6800 12.7794 12.8012 12.9342 12.9522 k =-0.4636-0.5826 0.2224 ( 6732 PWs) bands (ev): -2.9524 -2.9503 -2.7358 -2.7327 -2.5784 -2.5755 -1.8186 -1.8155 -0.2669 -0.2616 0.6948 0.7076 0.9548 0.9598 1.6613 1.6734 2.0952 2.1116 2.6785 2.6830 3.3188 3.3327 3.7852 3.7928 3.9463 4.0245 4.1113 4.1492 4.3311 4.4172 4.6919 4.7704 4.8098 4.8762 5.2120 5.2286 5.3177 5.3940 5.4906 5.5508 5.6160 5.7053 5.8421 5.8947 6.0868 6.1382 6.4610 6.5154 6.7121 6.7897 7.0300 7.0453 7.2809 7.3061 7.6358 7.6403 7.9265 7.9572 8.3561 8.4103 8.7169 8.7568 9.2709 9.2983 11.1479 11.1708 11.9831 12.0440 12.3635 12.4081 12.5941 12.6495 12.7793 12.8001 12.9438 12.9675 k =-0.4545-0.5712 0.2180 ( 6732 PWs) bands (ev): -2.9555 -2.9529 -2.7357 -2.7322 -2.5697 -2.5664 -1.8316 -1.8279 -0.2662 -0.2599 0.6576 0.6707 0.9767 0.9806 1.6627 1.6763 2.1195 2.1379 2.6854 2.6911 3.3312 3.3486 3.7910 3.8022 3.9196 3.9839 4.1211 4.1497 4.3097 4.3927 4.6747 4.7580 4.8062 4.8765 5.2044 5.2237 5.3326 5.4046 5.5138 5.5887 5.6240 5.7380 5.8460 5.9131 6.1012 6.1605 6.4471 6.5008 6.7183 6.7986 7.0159 7.0326 7.2839 7.3118 7.6621 7.6707 7.9286 7.9666 8.3247 8.3918 8.7061 8.7509 9.2719 9.3027 11.1387 11.1662 11.9485 12.0141 12.3585 12.4023 12.5588 12.6195 12.7807 12.7998 12.9499 12.9794 k =-0.4455-0.5598 0.2137 ( 6734 PWs) bands (ev): -2.9600 -2.9570 -2.7345 -2.7308 -2.5597 -2.5562 -1.8465 -1.8421 -0.2647 -0.2575 0.6150 0.6279 1.0040 1.0077 1.6633 1.6781 2.1462 2.1658 2.6912 2.6982 3.3465 3.3671 3.7876 3.8030 3.9025 3.9452 4.1302 4.1519 4.2963 4.3714 4.6604 4.7490 4.8043 4.8804 5.1926 5.2162 5.3384 5.4099 5.5239 5.6022 5.6628 5.7724 5.8564 5.9368 6.1216 6.1832 6.4339 6.4823 6.7301 6.8074 7.0034 7.0223 7.2863 7.3166 7.6881 7.7053 7.9315 7.9762 8.2918 8.3717 8.6953 8.7428 9.2724 9.3051 11.1294 11.1609 11.9111 11.9791 12.3370 12.3803 12.5295 12.5943 12.7835 12.8006 12.9471 12.9834 k =-0.4364-0.5484 0.2093 ( 6729 PWs) bands (ev): -2.9663 -2.9631 -2.7318 -2.7279 -2.5488 -2.5452 -1.8627 -1.8578 -0.2621 -0.2543 0.5692 0.5817 1.0351 1.0400 1.6631 1.6791 2.1735 2.1938 2.6941 2.7027 3.3644 3.3876 3.7690 3.7864 3.9006 3.9230 4.1380 4.1584 4.2908 4.3570 4.6486 4.7417 4.8041 4.8863 5.1791 5.2052 5.3414 5.4123 5.5213 5.6066 5.7105 5.7979 5.8746 5.9657 6.1481 6.2040 6.4203 6.4640 6.7453 6.8175 6.9938 7.0154 7.2886 7.3218 7.7116 7.7416 7.9353 7.9857 8.2598 8.3521 8.6847 8.7331 9.2718 9.3050 11.1205 11.1553 11.8707 11.9396 12.2974 12.3420 12.5063 12.5734 12.7866 12.8016 12.9291 12.9738 k =-0.4273-0.5369 0.2049 ( 6733 PWs) bands (ev): -2.9750 -2.9715 -2.7271 -2.7233 -2.5372 -2.5336 -1.8797 -1.8743 -0.2585 -0.2501 0.5222 0.5343 1.0689 1.0757 1.6621 1.6796 2.2001 2.2207 2.6925 2.7027 3.3842 3.4090 3.7420 3.7540 3.9054 3.9231 4.1471 4.1692 4.2939 4.3506 4.6387 4.7342 4.8052 4.8931 5.1642 5.1924 5.3439 5.4135 5.5128 5.6076 5.7518 5.8167 5.8965 5.9967 6.1774 6.2212 6.4037 6.4512 6.7604 6.8302 6.9887 7.0121 7.2917 7.3287 7.7304 7.7767 7.9400 7.9949 8.2314 8.3349 8.6747 8.7222 9.2694 9.3019 11.1127 11.1501 11.8269 11.8955 12.2446 12.2906 12.4848 12.5524 12.7867 12.7998 12.8923 12.9467 k =-0.4182-0.5255 0.2006 ( 6730 PWs) bands (ev): -2.9863 -2.9827 -2.7204 -2.7166 -2.5252 -2.5216 -1.8969 -1.8911 -0.2537 -0.2448 0.4757 0.4874 1.1042 1.1130 1.6608 1.6800 2.2248 2.2455 2.6849 2.6965 3.4047 3.4299 3.7169 3.7209 3.9106 3.9324 4.1597 4.1825 4.3069 4.3527 4.6304 4.7255 4.8066 4.9007 5.1483 5.1805 5.3464 5.4142 5.5026 5.6057 5.7798 5.8372 5.9188 6.0262 6.2016 6.2356 6.3844 6.4462 6.7723 6.8433 6.9902 7.0129 7.2970 7.3388 7.7428 7.8078 7.9457 8.0041 8.2094 8.3219 8.6655 8.7109 9.2645 9.2953 11.1066 11.1461 11.7788 11.8464 12.1847 12.2309 12.4591 12.5266 12.7773 12.7874 12.8460 12.9050 k =-0.4091-0.5141 0.1962 ( 6731 PWs) bands (ev): -3.0005 -2.9969 -2.7114 -2.7078 -2.5130 -2.5096 -1.9139 -1.9077 -0.2478 -0.2385 0.4310 0.4424 1.1397 1.1505 1.6596 1.6807 2.2469 2.2674 2.6704 2.6829 3.4237 3.4491 3.6930 3.7058 3.9145 3.9408 4.1730 4.1989 4.3299 4.3656 4.6232 4.7149 4.8076 4.9086 5.1322 5.1717 5.3483 5.4151 5.4927 5.6016 5.7957 5.8593 5.9418 6.0531 6.2119 6.2468 6.3691 6.4464 6.7801 6.8514 6.9962 7.0203 7.3066 7.3528 7.7487 7.8311 7.9528 8.0139 8.1966 8.3147 8.6578 8.6997 9.2564 9.2848 11.1029 11.1437 11.7253 11.7911 12.1218 12.1671 12.4251 12.4923 12.7391 12.7566 12.8180 12.8622 k =-0.4000-0.5027 0.1919 ( 6734 PWs) bands (ev): -3.0180 -3.0144 -2.7002 -2.6967 -2.5009 -2.4977 -1.9300 -1.9235 -0.2409 -0.2313 0.3895 0.4005 1.1740 1.1867 1.6592 1.6822 2.2654 2.2855 2.6490 2.6619 3.4391 3.4666 3.6818 3.7069 3.9159 3.9460 4.1819 4.2185 4.3594 4.3940 4.6161 4.7024 4.8079 4.9163 5.1186 5.1668 5.3490 5.4162 5.4843 5.5962 5.8058 5.8782 5.9654 6.0778 6.2112 6.2453 6.3656 6.4484 6.7835 6.8518 6.9996 7.0362 7.3221 7.3704 7.7495 7.8433 7.9619 8.0259 8.1944 8.3140 8.6519 8.6893 9.2447 9.2702 11.1018 11.1435 11.6650 11.7283 12.0594 12.1032 12.3810 12.4469 12.6800 12.7116 12.8027 12.8319 k =-0.3909-0.4913 0.1875 ( 6734 PWs) bands (ev): -3.0388 -3.0353 -2.6868 -2.6834 -2.4891 -2.4861 -1.9447 -1.9380 -0.2331 -0.2233 0.3521 0.3628 1.2053 1.2201 1.6603 1.6852 2.2795 2.2990 2.6219 2.6350 3.4508 3.4829 3.6872 3.7216 3.9150 3.9488 4.1863 4.2360 4.3949 4.4369 4.6085 4.6888 4.8082 4.9227 5.1107 5.1661 5.3479 5.4172 5.4782 5.5901 5.8138 5.8923 5.9885 6.1004 6.2051 6.2295 6.3728 6.4503 6.7821 6.8460 6.9998 7.0526 7.3439 7.3897 7.7475 7.8436 7.9741 8.0409 8.2022 8.3198 8.6486 8.6803 9.2289 9.2513 11.1037 11.1458 11.5967 11.6569 12.0005 12.0422 12.3282 12.3908 12.6246 12.6571 12.7857 12.8130 k =-0.3818-0.4798 0.1831 ( 6734 PWs) bands (ev): -3.0630 -3.0595 -2.6713 -2.6680 -2.4778 -2.4751 -1.9577 -1.9508 -0.2246 -0.2147 0.3198 0.3302 1.2323 1.2491 1.6634 1.6900 2.2884 2.3070 2.5917 2.6051 3.4614 3.4988 3.7076 3.7455 3.9134 3.9513 4.1877 4.2481 4.4373 4.4858 4.5999 4.6756 4.8102 4.9273 5.1110 5.1694 5.3445 5.4179 5.4749 5.5840 5.8208 5.9024 6.0092 6.1197 6.1935 6.2122 6.3834 6.4509 6.7753 6.8361 6.9980 7.0631 7.3684 7.4081 7.7453 7.8350 7.9894 8.0586 8.2185 8.3310 8.6481 8.6733 9.2087 9.2281 11.1082 11.1504 11.5204 11.5769 11.9480 11.9870 12.2701 12.3284 12.5750 12.6017 12.7659 12.7988 k =-0.3727-0.4684 0.1788 ( 6727 PWs) bands (ev): -3.0906 -3.0871 -2.6538 -2.6506 -2.4672 -2.4647 -1.9686 -1.9616 -0.2157 -0.2058 0.2934 0.3035 1.2535 1.2722 1.6690 1.6969 2.2906 2.3082 2.5617 2.5760 3.4737 3.5157 3.7393 3.7715 3.9131 3.9571 4.1870 4.2550 4.4816 4.5286 4.5938 4.6663 4.8161 4.9307 5.1205 5.1768 5.3393 5.4177 5.4747 5.5790 5.8273 5.9094 6.0259 6.1315 6.1751 6.2079 6.3932 6.4499 6.7634 6.8234 6.9947 7.0664 7.3897 7.4231 7.7439 7.8215 8.0066 8.0784 8.2417 8.3467 8.6508 8.6692 9.1838 9.2008 11.1144 11.1566 11.4375 11.4906 11.9036 11.9392 12.2110 12.2649 12.5273 12.5490 12.7441 12.7861 k =-0.3636-0.4570 0.1744 ( 6729 PWs) bands (ev): -3.1214 -3.1178 -2.6347 -2.6316 -2.4574 -2.4550 -1.9771 -1.9702 -0.2065 -0.1968 0.2735 0.2834 1.2678 1.2880 1.6774 1.7061 2.2854 2.3019 2.5360 2.5516 3.4893 3.5346 3.7771 3.7916 3.9161 3.9726 4.1846 4.2586 4.5147 4.5453 4.6055 4.6682 4.8278 4.9359 5.1367 5.1885 5.3330 5.4159 5.4778 5.5758 5.8330 5.9136 6.0368 6.1254 6.1681 6.2145 6.4010 6.4473 6.7473 6.8083 6.9905 7.0639 7.4024 7.4340 7.7428 7.8061 8.0243 8.0989 8.2701 8.3660 8.6560 8.6685 9.1538 9.1697 11.1207 11.1632 11.3513 11.4023 11.8684 11.8997 12.1546 12.2041 12.4777 12.5003 12.7203 12.7732 k =-0.3545-0.4456 0.1701 ( 6730 PWs) bands (ev): -3.1552 -3.1517 -2.6143 -2.6112 -2.4484 -2.4459 -1.9831 -1.9763 -0.1972 -0.1878 0.2605 0.2703 1.2745 1.2958 1.6882 1.7170 2.2727 2.2886 2.5174 2.5343 3.5084 3.5559 3.7994 3.8155 3.9239 4.0038 4.1809 4.2607 4.5110 4.5547 4.6255 4.6905 4.8444 4.9475 5.1548 5.2062 5.3269 5.4124 5.4841 5.5750 5.8373 5.9152 6.0416 6.1073 6.1744 6.2276 6.4066 6.4432 6.7284 6.7913 6.9857 7.0575 7.4054 7.4400 7.7406 7.7907 8.0403 8.1178 8.3017 8.3885 8.6614 8.6727 9.1186 9.1357 11.1234 11.1675 11.2668 11.3194 11.8421 11.8681 12.1035 12.1482 12.4261 12.4547 12.6934 12.7587 k =-0.3455-0.4341 0.1657 ( 6722 PWs) bands (ev): -3.1919 -3.1883 -2.5929 -2.5900 -2.4402 -2.4371 -1.9866 -1.9800 -0.1877 -0.1788 0.2545 0.2643 1.2735 1.2953 1.7004 1.7286 2.2548 2.2711 2.5065 2.5245 3.5307 3.5794 3.7977 3.8435 3.9413 4.0499 4.1763 4.2629 4.4882 4.5544 4.6451 4.7249 4.8613 4.9693 5.1685 5.2308 5.3224 5.4074 5.4939 5.5772 5.8393 5.9136 6.0424 6.0914 6.1858 6.2425 6.4103 6.4380 6.7085 6.7731 6.9806 7.0490 7.4012 7.4405 7.7362 7.7762 8.0522 8.1329 8.3334 8.4136 8.6653 8.6814 9.0779 9.0995 11.1141 11.1583 11.1977 11.2540 11.8235 11.8435 12.0594 12.0985 12.3746 12.4108 12.6613 12.7396 k =-0.3364-0.4227 0.1613 ( 6731 PWs) bands (ev): -3.2311 -3.2274 -2.5714 -2.5686 -2.4322 -2.4281 -1.9876 -1.9813 -0.1779 -0.1696 0.2555 0.2655 1.2651 1.2868 1.7127 1.7397 2.2356 2.2532 2.5020 2.5206 3.5554 3.6046 3.7897 3.8566 3.9704 4.1039 4.1724 4.2678 4.4625 4.5442 4.6634 4.7598 4.8760 4.9991 5.1751 5.2596 5.3204 5.4024 5.5068 5.5822 5.8381 5.9083 6.0440 6.0814 6.1995 6.2553 6.4117 6.4327 6.6896 6.7548 6.9754 7.0395 7.3923 7.4359 7.7302 7.7633 8.0585 8.1428 8.3615 8.4392 8.6680 8.6915 9.0322 9.0617 11.0818 11.1037 11.1801 11.2187 11.8080 11.8251 12.0242 12.0567 12.3248 12.3687 12.6222 12.7102 k =-0.3273-0.4113 0.1570 ( 6730 PWs) bands (ev): -3.2725 -3.2688 -2.5510 -2.5481 -2.4235 -2.4179 -1.9862 -1.9803 -0.1674 -0.1600 0.2632 0.2734 1.2501 1.2711 1.7236 1.7489 2.2190 2.2386 2.5022 2.5210 3.5813 3.6304 3.7784 3.8601 4.0017 4.1456 4.1839 4.2786 4.4395 4.5315 4.6794 4.7894 4.8911 5.0301 5.1760 5.2836 5.3239 5.3993 5.5215 5.5895 5.8335 5.8992 6.0508 6.0772 6.2139 6.2635 6.4090 6.4304 6.6742 6.7378 6.9702 7.0301 7.3806 7.4274 7.7241 7.7523 8.0588 8.1473 8.3827 8.4613 8.6679 8.7007 8.9821 9.0229 11.0325 11.0502 11.1762 11.2046 11.7878 11.8121 11.9984 12.0249 12.2783 12.3297 12.5759 12.6644 k =-0.3182-0.3999 0.1526 ( 6732 PWs) bands (ev): -3.3159 -3.3121 -2.5334 -2.5302 -2.4124 -2.4050 -1.9827 -1.9772 -0.1559 -0.1495 0.2768 0.2875 1.2296 1.2493 1.7320 1.7554 2.2075 2.2298 2.5055 2.5242 3.6066 3.6558 3.7662 3.8610 4.0243 4.1461 4.2318 4.2976 4.4264 4.5220 4.6939 4.8111 4.9095 5.0552 5.1744 5.2894 5.3403 5.3998 5.5356 5.5982 5.8262 5.8879 6.0634 6.0779 6.2270 6.2659 6.4014 6.4328 6.6648 6.7238 6.9651 7.0215 7.3674 7.4164 7.7197 7.7438 8.0539 8.1468 8.3939 8.4751 8.6628 8.7075 8.9286 8.9840 10.9843 11.0119 11.1728 11.1976 11.7596 11.7977 11.9798 12.0045 12.2366 12.2964 12.5257 12.6057 k =-0.3091-0.3884 0.1483 ( 6733 PWs) bands (ev): -3.3609 -3.3571 -2.5205 -2.5169 -2.3968 -2.3878 -1.9773 -1.9723 -0.1430 -0.1376 0.2958 0.3072 1.2048 1.2226 1.7376 1.7589 2.2026 2.2279 2.5111 2.5294 3.6279 3.6794 3.7554 3.8636 4.0338 4.1364 4.2714 4.3202 4.4373 4.5223 4.7078 4.8250 4.9312 5.0693 5.1752 5.2821 5.3595 5.4055 5.5460 5.6063 5.8177 5.8765 6.0741 6.0865 6.2361 6.2634 6.3913 6.4370 6.6639 6.7150 6.9602 7.0142 7.3538 7.4045 7.7182 7.7387 8.0444 8.1426 8.3927 8.4766 8.6509 8.7100 8.8734 8.9465 10.9456 10.9862 11.1690 11.1952 11.7233 11.7747 11.9629 11.9901 12.2015 12.2717 12.4781 12.5460 k =-0.3000-0.3770 0.1439 ( 6732 PWs) bands (ev): -3.4072 -3.4033 -2.5131 -2.5094 -2.3755 -2.3653 -1.9704 -1.9659 -0.1284 -0.1238 0.3193 0.3315 1.1770 1.1927 1.7403 1.7595 2.2045 2.2327 2.5184 2.5362 3.6405 3.6981 3.7506 3.8714 4.0322 4.1228 4.2836 4.3382 4.4820 4.5395 4.7223 4.8339 4.9537 5.0708 5.1808 5.2716 5.3697 5.4180 5.5508 5.6120 5.8095 5.8664 6.0771 6.1024 6.2368 6.2600 6.3809 6.4402 6.6730 6.7139 6.9553 7.0082 7.3415 7.3938 7.7198 7.7379 8.0312 8.1357 8.3772 8.4635 8.6316 8.7043 8.8211 8.9122 10.9149 10.9689 11.1672 11.1994 11.6792 11.7409 11.9413 11.9707 12.1734 12.2574 12.4408 12.4986 k =-0.2909-0.3656 0.1395 ( 6729 PWs) bands (ev): -3.4544 -3.4506 -2.5110 -2.5075 -2.3486 -2.3376 -1.9624 -1.9583 -0.1121 -0.1077 0.3465 0.3597 1.1478 1.1612 1.7408 1.7580 2.2123 2.2431 2.5271 2.5444 3.6411 3.7043 3.7601 3.8859 4.0241 4.1066 4.2770 4.3464 4.5468 4.5756 4.7391 4.8404 4.9733 5.0642 5.1877 5.2635 5.3715 5.4335 5.5496 5.6142 5.8020 5.8578 6.0761 6.1147 6.2288 6.2568 6.3710 6.4401 6.6910 6.7224 6.9498 7.0034 7.3331 7.3873 7.7235 7.7422 8.0145 8.1268 8.3467 8.4354 8.6059 8.6816 8.7814 8.8829 10.8876 10.9532 11.1711 11.2111 11.6271 11.6960 11.9118 11.9399 12.1514 12.2489 12.4187 12.4759 k =-0.2818-0.3542 0.1352 ( 6733 PWs) bands (ev): -3.5024 -3.4985 -2.5132 -2.5099 -2.3171 -2.3057 -1.9538 -1.9500 -0.0940 -0.0889 0.3767 0.3908 1.1189 1.1298 1.7397 1.7552 2.2249 2.2579 2.5371 2.5539 3.6314 3.6977 3.7813 3.9062 4.0138 4.0893 4.2644 4.3448 4.6130 4.6251 4.7609 4.8479 4.9855 5.0569 5.1909 5.2622 5.3691 5.4475 5.5433 5.6139 5.7947 5.8505 6.0705 6.1185 6.2180 6.2502 6.3615 6.4358 6.7150 6.7400 6.9428 6.9988 7.3317 7.3888 7.7273 7.7512 7.9937 8.1164 8.3023 8.3951 8.5751 8.6386 8.7597 8.8589 10.8592 10.9328 11.1799 11.2265 11.5679 11.6399 11.8799 11.9022 12.1330 12.2386 12.4118 12.4794 k =-0.2727-0.3427 0.1308 ( 6737 PWs) bands (ev): -3.5507 -3.5469 -2.5188 -2.5155 -2.2822 -2.2705 -1.9449 -1.9412 -0.0740 -0.0677 0.4088 0.4241 1.0920 1.1004 1.7377 1.7519 2.2410 2.2759 2.5483 2.5647 3.6151 3.6841 3.8040 3.9285 4.0062 4.0731 4.2508 4.3377 4.6545 4.6904 4.7886 4.8633 4.9867 5.0541 5.1907 5.2678 5.3651 5.4581 5.5341 5.6128 5.7861 5.8441 6.0597 6.1121 6.2071 6.2397 6.3524 6.4283 6.7402 6.7622 6.9334 6.9935 7.3409 7.4018 7.7291 7.7627 7.9678 8.1041 8.2481 8.3481 8.5398 8.5877 8.7470 8.8393 10.8268 10.9051 11.1841 11.2332 11.5079 11.5763 11.8551 11.8698 12.1176 12.2263 12.4062 12.4863 k =-0.2636-0.3313 0.1265 ( 6737 PWs) bands (ev): -3.5992 -3.5955 -2.5268 -2.5233 -2.2447 -2.2325 -1.9363 -1.9323 -0.0522 -0.0441 0.4421 0.4584 1.0688 1.0749 1.7351 1.7485 2.2595 2.2959 2.5609 2.5770 3.5950 3.6659 3.8221 3.9456 4.0072 4.0618 4.2379 4.3281 4.6786 4.7445 4.8166 4.8984 4.9815 5.0538 5.1917 5.2762 5.3620 5.4645 5.5254 5.6125 5.7752 5.8385 6.0438 6.0970 6.1934 6.2269 6.3445 6.4198 6.7612 6.7832 6.9217 6.9872 7.3627 7.4274 7.7245 7.7714 7.9367 8.0892 8.1922 8.3022 8.4999 8.5406 8.7361 8.8225 10.7892 10.8708 11.1663 11.2103 11.4616 11.5160 11.8418 11.8551 12.1066 12.2162 12.3824 12.4501 k =-0.2545-0.3199 0.1221 ( 6738 PWs) bands (ev): -3.6477 -3.6440 -2.5365 -2.5326 -2.2051 -2.1924 -1.9284 -1.9238 -0.0286 -0.0186 0.4755 0.4928 1.0510 1.0551 1.7324 1.7454 2.2795 2.3172 2.5747 2.5908 3.5730 3.6444 3.8317 3.9505 4.0194 4.0614 4.2268 4.3177 4.6906 4.7681 4.8458 4.9491 4.9814 5.0528 5.1959 5.2845 5.3616 5.4667 5.5208 5.6141 5.7618 5.8338 6.0239 6.0760 6.1731 6.2116 6.3403 6.4137 6.7720 6.7972 6.9109 6.9812 7.3963 7.4630 7.7076 7.7647 7.9078 8.0702 8.1463 8.2648 8.4565 8.5021 8.7247 8.8070 10.7464 10.8313 11.1121 11.1500 11.4334 11.4712 11.8402 11.8602 12.1036 12.2095 12.3510 12.4094 k =-0.2455-0.3085 0.1177 ( 6738 PWs) bands (ev): -3.6959 -3.6922 -2.5475 -2.5431 -2.1639 -2.1506 -1.9214 -1.9159 -0.0036 0.0086 0.5081 0.5262 1.0401 1.0429 1.7297 1.7428 2.3004 2.3391 2.5900 2.6061 3.5499 3.6205 3.8321 3.9446 4.0361 4.0755 4.2185 4.3074 4.6949 4.7675 4.8654 4.9757 5.0157 5.0551 5.2015 5.2930 5.3649 5.4668 5.5223 5.6179 5.7467 5.8305 6.0011 6.0514 6.1459 6.1911 6.3427 6.4128 6.7695 6.7985 6.9061 6.9777 7.4355 7.5009 7.6748 7.7252 7.8977 8.0479 8.1193 8.2396 8.4148 8.4717 8.7123 8.7918 10.6983 10.7877 11.0265 11.0685 11.4092 11.4412 11.8474 11.8728 12.1122 12.2010 12.3324 12.3804 k =-0.2364-0.2970 0.1134 ( 6737 PWs) bands (ev): -3.7436 -3.7400 -2.5592 -2.5543 -2.1215 -2.1074 -1.9155 -1.9088 0.0227 0.0371 0.5390 0.5577 1.0372 1.0401 1.7271 1.7407 2.3218 2.3611 2.6068 2.6231 3.5265 3.5950 3.8259 3.9320 4.0548 4.0965 4.2151 4.2976 4.6936 4.7558 4.8685 4.9783 5.0575 5.0714 5.2077 5.3023 5.3716 5.4679 5.5304 5.6230 5.7312 5.8301 5.9768 6.0241 6.1135 6.1644 6.3533 6.4190 6.7550 6.7850 6.9097 6.9781 7.4626 7.5281 7.6284 7.6688 7.9059 8.0260 8.1101 8.2250 8.3796 8.4490 8.6993 8.7765 10.6452 10.7402 10.9296 10.9804 11.3826 11.4145 11.8526 11.8816 12.1287 12.1841 12.3333 12.3729 k =-0.2273-0.2856 0.1090 ( 6739 PWs) bands (ev): -3.7906 -3.7871 -2.5713 -2.5658 -2.0787 -2.0635 -1.9107 -1.9024 0.0499 0.0663 0.5677 0.5867 1.0431 1.0476 1.7247 1.7392 2.3433 2.3830 2.6252 2.6418 3.5036 3.5687 3.8160 3.9163 4.0733 4.1154 4.2196 4.2892 4.6875 4.7385 4.8631 4.9704 5.0720 5.1003 5.2183 5.3119 5.3802 5.4714 5.5449 5.6276 5.7167 5.8345 5.9514 5.9948 6.0782 6.1341 6.3722 6.4334 6.7325 6.7611 6.9178 6.9817 7.4340 7.5293 7.5724 7.6592 7.9192 8.0059 8.1133 8.2158 8.3555 8.4345 8.6862 8.7613 10.5882 10.6883 10.8371 10.8958 11.3540 11.3853 11.8480 11.8825 12.1350 12.1645 12.3472 12.3857 k =-0.2182-0.2742 0.1047 ( 6746 PWs) bands (ev): -3.8368 -3.8334 -2.5836 -2.5775 -2.0367 -2.0200 -1.9063 -1.8959 0.0775 0.0960 0.5942 0.6135 1.0585 1.0653 1.7227 1.7381 2.3646 2.4043 2.6454 2.6624 3.4817 3.5425 3.8046 3.8994 4.0865 4.1291 4.2328 4.2834 4.6772 4.7184 4.8550 4.9570 5.0741 5.1128 5.2340 5.3206 5.3879 5.4768 5.5637 5.6294 5.7046 5.8450 5.9240 5.9633 6.0430 6.1066 6.3992 6.4562 6.7065 6.7318 6.9259 6.9867 7.3558 7.4412 7.5929 7.6747 7.9287 7.9860 8.1247 8.2065 8.3454 8.4279 8.6737 8.7467 10.5304 10.6320 10.7585 10.8207 11.3241 11.3535 11.8345 11.8757 12.1188 12.1516 12.3690 12.3977 k =-0.2091-0.2628 0.1003 ( 6746 PWs) bands (ev): -3.8820 -3.8788 -2.5956 -2.5890 -1.9983 -1.9804 -1.8991 -1.8869 0.1054 0.1256 0.6191 0.6386 1.0826 1.0921 1.7212 1.7375 2.3855 2.4248 2.6677 2.6848 3.4614 3.5172 3.7929 3.8825 4.0906 4.1396 4.2494 4.2830 4.6626 4.6974 4.8462 4.9410 5.0665 5.1109 5.2482 5.3262 5.3922 5.4824 5.5798 5.6291 5.6961 5.8567 5.8948 5.9300 6.0125 6.0900 6.4342 6.4868 6.6807 6.7006 6.9307 6.9911 7.2611 7.3419 7.6146 7.6860 7.9288 7.9663 8.1409 8.1961 8.3467 8.4271 8.6621 8.7330 10.4770 10.5757 10.6969 10.7575 11.2938 11.3205 11.8163 11.8630 12.0961 12.1379 12.3869 12.4010 k =-0.2000-0.2513 0.0959 ( 6745 PWs) bands (ev): -3.9261 -3.9230 -2.6073 -2.6001 -1.9697 -1.9538 -1.8805 -1.8696 0.1332 0.1549 0.6436 0.6632 1.1143 1.1267 1.7202 1.7375 2.4059 2.4444 2.6922 2.7093 3.4433 3.4936 3.7813 3.8660 4.0871 4.1466 4.2601 4.2930 4.6444 4.6766 4.8380 4.9237 5.0532 5.1002 5.2553 5.3269 5.3923 5.4845 5.5795 5.6365 5.6913 5.8411 5.8742 5.9018 5.9978 6.0887 6.4765 6.5223 6.6593 6.6709 6.9282 6.9913 7.1653 7.2483 7.6232 7.6848 7.9168 7.9489 8.1559 8.1898 8.3518 8.4286 8.6515 8.7204 10.4343 10.5279 10.6495 10.7064 11.2639 11.2874 11.7965 11.8470 12.0756 12.1235 12.3938 12.3995 k =-0.1909-0.2399 0.0916 ( 6743 PWs) bands (ev): -3.9689 -3.9659 -2.6184 -2.6107 -1.9567 -1.9462 -1.8447 -1.8383 0.1608 0.1836 0.6687 0.6885 1.1516 1.1670 1.7200 1.7381 2.4257 2.4627 2.7194 2.7360 3.4280 3.4725 3.7703 3.8502 4.0793 4.1482 4.2639 4.3094 4.6240 4.6560 4.8308 4.9059 5.0376 5.0845 5.2520 5.3235 5.3884 5.4790 5.5596 5.6518 5.6893 5.8006 5.8476 5.8842 6.0103 6.1000 6.5195 6.5541 6.6408 6.6604 6.9114 6.9771 7.0841 7.1720 7.6161 7.6684 7.8956 7.9335 8.1603 8.1959 8.3536 8.4294 8.6408 8.7078 10.4062 10.4944 10.6154 10.6683 11.2352 11.2553 11.7771 11.8297 12.0596 12.1114 12.3880 12.3984 k =-0.1818-0.2285 0.0872 ( 6744 PWs) bands (ev): -4.0104 -4.0076 -2.6286 -2.6206 -1.9566 -1.9494 -1.8005 -1.7954 0.1880 0.2116 0.6956 0.7152 1.1927 1.2111 1.7210 1.7399 2.4445 2.4796 2.7495 2.7653 3.4159 3.4545 3.7600 3.8353 4.0693 4.1443 4.2646 4.3235 4.6030 4.6352 4.8252 4.8882 5.0213 5.0660 5.2368 5.3181 5.3806 5.4642 5.5282 5.6602 5.6883 5.7577 5.8249 5.8675 6.0374 6.1203 6.5307 6.5765 6.6363 6.6914 6.8729 6.9266 7.0445 7.1253 7.5927 7.6363 7.8713 7.9163 8.1572 8.2087 8.3484 8.4274 8.6289 8.6938 10.3922 10.4727 10.5998 10.6470 11.2082 11.2251 11.7592 11.8129 12.0491 12.1036 12.3777 12.3932 k =-0.1727-0.2171 0.0829 ( 6745 PWs) bands (ev): -4.0504 -4.0477 -2.6380 -2.6295 -1.9644 -1.9580 -1.7528 -1.7469 0.2149 0.2388 0.7247 0.7441 1.2355 1.2571 1.7234 1.7432 2.4621 2.4950 2.7829 2.7975 3.4075 3.4402 3.7504 3.8212 4.0581 4.1361 4.2615 4.3315 4.5825 4.6138 4.8209 4.8715 5.0047 5.0461 5.2115 5.3099 5.3673 5.4431 5.4898 5.6505 5.6799 5.7248 5.8203 5.8564 6.0625 6.1476 6.5055 6.5705 6.6729 6.7404 6.8222 6.8646 7.0351 7.1078 7.5537 7.5903 7.8464 7.8958 8.1529 8.2185 8.3366 8.4217 8.6153 8.6772 10.3852 10.4526 10.6129 10.6501 11.1836 11.1976 11.7435 11.7976 12.0447 12.1017 12.3651 12.3840 k =-0.1636-0.2056 0.0785 ( 6745 PWs) bands (ev): -4.0889 -4.0863 -2.6464 -2.6375 -1.9771 -1.9702 -1.7030 -1.6962 0.2415 0.2653 0.7562 0.7750 1.2784 1.3030 1.7281 1.7490 2.4784 2.5088 2.8199 2.8331 3.4030 3.4302 3.7415 3.8080 4.0463 4.1249 4.2535 4.3316 4.5624 4.5922 4.8171 4.8562 4.9865 5.0260 5.1799 5.2953 5.3454 5.4218 5.4499 5.6193 5.6658 5.7043 5.8332 5.8539 6.0785 6.1802 6.4646 6.5551 6.6882 6.7245 6.8329 6.8547 7.0343 7.1091 7.5005 7.5335 7.8215 7.8717 8.1473 8.2206 8.3217 8.4119 8.6006 8.6582 10.3754 10.4281 10.6585 10.6849 11.1622 11.1737 11.7304 11.7846 12.0468 12.1067 12.3512 12.3717 k =-0.1545-0.1942 0.0741 ( 6743 PWs) bands (ev): -4.1257 -4.1233 -2.6535 -2.6443 -1.9931 -1.9856 -1.6520 -1.6444 0.2677 0.2911 0.7898 0.8078 1.3194 1.3472 1.7357 1.7580 2.4932 2.5210 2.8610 2.8725 3.4023 3.4248 3.7332 3.7956 4.0340 4.1114 4.2400 4.3237 4.5413 4.5708 4.8123 4.8423 4.9638 5.0072 5.1464 5.2680 5.3172 5.3989 5.4200 5.5794 5.6533 5.6864 5.8475 5.8636 6.0849 6.2151 6.4148 6.5402 6.6357 6.6855 6.8732 6.9241 7.0371 7.1234 7.4354 7.4705 7.7961 7.8451 8.1389 8.2123 8.3075 8.3986 8.5859 8.6380 10.3586 10.4004 10.7305 10.7508 11.1448 11.1552 11.7203 11.7745 12.0553 12.1191 12.3371 12.3572 k =-0.1455-0.1828 0.0698 ( 6736 PWs) bands (ev): -4.1608 -4.1585 -2.6595 -2.6499 -2.0118 -2.0035 -1.6004 -1.5923 0.2935 0.3163 0.8248 0.8419 1.3573 1.3879 1.7472 1.7716 2.5063 2.5316 2.9062 2.9161 3.4054 3.4243 3.7256 3.7841 4.0211 4.0960 4.2218 4.3088 4.5176 4.5498 4.8032 4.8292 4.9351 4.9892 5.1157 5.2264 5.2905 5.3673 5.4081 5.5424 5.6386 5.6716 5.8516 5.8829 6.0842 6.2495 6.3618 6.5257 6.5724 6.6532 6.9157 6.9982 7.0454 7.1472 7.3649 7.4097 7.7704 7.8175 8.1258 8.1936 8.2959 8.3830 8.5720 8.6185 10.3368 10.3718 10.8186 10.8391 11.1332 11.1464 11.7135 11.7674 12.0700 12.1391 12.3241 12.3416 k =-0.1364-0.1714 0.0654 ( 6735 PWs) bands (ev): -4.1941 -4.1919 -2.6641 -2.6543 -2.0326 -2.0237 -1.5485 -1.5401 0.3189 0.3409 0.8601 0.8764 1.3912 1.4242 1.7634 1.7903 2.5177 2.5407 2.9557 2.9643 3.4116 3.4291 3.7186 3.7733 4.0075 4.0785 4.2001 4.2889 4.4905 4.5276 4.7842 4.8177 4.9034 4.9676 5.0918 5.1812 5.2650 5.3356 5.4020 5.5125 5.6193 5.6627 5.8494 5.8947 6.0814 6.2742 6.3196 6.5030 6.5294 6.6270 6.9404 7.0267 7.0799 7.1644 7.3080 7.3731 7.7448 7.7907 8.1070 8.1685 8.2855 8.3666 8.5595 8.6009 10.3127 10.3437 10.9059 10.9353 11.1349 11.1574 11.7103 11.7637 12.0893 12.1658 12.3136 12.3268 k =-0.1273-0.1599 0.0610 ( 6732 PWs) bands (ev): -4.2255 -4.2234 -2.6674 -2.6574 -2.0551 -2.0457 -1.4969 -1.4883 0.3439 0.3649 0.8946 0.9102 1.4212 1.4557 1.7851 1.8146 2.5274 2.5484 3.0095 3.0171 3.4204 3.4390 3.7122 3.7632 3.9927 4.0588 4.1768 4.2660 4.4595 4.5024 4.7525 4.8052 4.8744 4.9397 5.0748 5.1422 5.2398 5.3056 5.3968 5.4911 5.5966 5.6584 5.8392 5.8892 6.0835 6.2490 6.3331 6.4691 6.5134 6.6063 6.9395 7.0156 7.0857 7.1472 7.3114 7.3916 7.7201 7.7673 8.0823 8.1407 8.2750 8.3500 8.5482 8.5854 10.2880 10.3165 10.9663 11.0055 11.1780 11.2083 11.7113 11.7636 12.1104 12.1963 12.3070 12.3181 k =-0.1182-0.1485 0.0567 ( 6730 PWs) bands (ev): -4.2550 -4.2531 -2.6693 -2.6592 -2.0790 -2.0692 -1.4458 -1.4371 0.3682 0.3882 0.9267 0.9419 1.4481 1.4832 1.8119 1.8438 2.5356 2.5548 3.0674 3.0742 3.4315 3.4533 3.7066 3.7539 3.9763 4.0370 4.1531 4.2423 4.4238 4.4728 4.7122 4.7866 4.8509 4.9098 5.0588 5.1134 5.2169 5.2781 5.3908 5.4779 5.5723 5.6567 5.8193 5.8646 6.0935 6.2119 6.3668 6.4461 6.5027 6.5894 6.9033 6.9618 7.0684 7.1156 7.3739 7.4491 7.6983 7.7505 8.0534 8.1123 8.2643 8.3336 8.5380 8.5718 10.2641 10.2908 10.9893 11.0256 11.2806 11.3045 11.7172 11.7673 12.1285 12.2209 12.3088 12.3242 k =-0.1091-0.1371 0.0523 ( 6726 PWs) bands (ev): -4.2825 -4.2807 -2.6699 -2.6596 -2.1038 -2.0937 -1.3956 -1.3869 0.3917 0.4106 0.9550 0.9701 1.4740 1.5086 1.8432 1.8770 2.5422 2.5599 3.1292 3.1346 3.4445 3.4710 3.7018 3.7454 3.9576 4.0136 4.1296 4.2196 4.3828 4.4384 4.6701 4.7597 4.8320 4.8851 5.0373 5.0923 5.1987 5.2535 5.3831 5.4706 5.5474 5.6562 5.7906 5.8270 6.1077 6.1821 6.3980 6.4397 6.4918 6.5751 6.8291 6.8767 7.0620 7.1003 7.4469 7.5131 7.6834 7.7461 8.0229 8.0845 8.2537 8.3171 8.5289 8.5595 10.2413 10.2665 10.9918 11.0238 11.4074 11.4256 11.7294 11.7756 12.1392 12.2258 12.3321 12.3470 k =-0.1000-0.1257 0.0480 ( 6728 PWs) bands (ev): -4.3079 -4.3063 -2.6691 -2.6588 -2.1291 -2.1188 -1.3467 -1.3382 0.4141 0.4318 0.9781 0.9933 1.5008 1.5342 1.8776 1.9129 2.5474 2.5637 3.1939 3.1971 3.4590 3.4911 3.6984 3.7379 3.9360 3.9896 4.1055 4.1992 4.3370 4.4007 4.6315 4.7282 4.8152 4.8674 5.0109 5.0711 5.1867 5.2317 5.3741 5.4653 5.5240 5.6556 5.7564 5.7845 6.1197 6.1617 6.4104 6.4539 6.4843 6.5628 6.7338 6.7871 7.0603 7.0981 7.5042 7.5599 7.6866 7.7625 7.9939 8.0593 8.2437 8.3006 8.5207 8.5482 10.2201 10.2440 10.9862 11.0156 11.5311 11.5576 11.7507 11.7900 12.1427 12.2169 12.3676 12.3830 k =-0.0909-0.1142 0.0436 ( 6730 PWs) bands (ev): -4.3313 -4.3298 -2.6670 -2.6568 -2.1546 -2.1443 -1.2996 -1.2912 0.4353 0.4517 0.9951 1.0106 1.5302 1.5620 1.9139 1.9502 2.5512 2.5662 3.2583 3.2605 3.4743 3.5125 3.6969 3.7324 3.9116 3.9661 4.0793 4.1814 4.2896 4.3633 4.5987 4.6975 4.7989 4.8545 4.9816 5.0459 5.1788 5.2111 5.3644 5.4548 5.5076 5.6520 5.7210 5.7440 6.1212 6.1541 6.4030 6.4467 6.5099 6.5494 6.6378 6.7084 7.0599 7.1014 7.5332 7.5741 7.7184 7.7996 7.9705 8.0403 8.2349 8.2846 8.5138 8.5380 10.2006 10.2231 10.9770 11.0049 11.6337 11.6889 11.7842 11.8190 12.1428 12.2053 12.3983 12.4235 k =-0.0818-0.1028 0.0392 ( 6726 PWs) bands (ev): -4.3526 -4.3512 -2.6637 -2.6536 -2.1799 -2.1696 -1.2546 -1.2465 0.4550 0.4701 1.0057 1.0213 1.5632 1.5933 1.9510 1.9879 2.5534 2.5673 3.3164 3.3238 3.4906 3.5348 3.6980 3.7303 3.8854 3.9436 4.0498 4.1641 4.2475 4.3315 4.5716 4.6704 4.7829 4.8438 4.9506 5.0178 5.1701 5.1896 5.3548 5.4353 5.5009 5.6382 5.6919 5.7113 6.1109 6.1569 6.3651 6.4327 6.5034 6.5495 6.5848 6.6548 7.0590 7.1065 7.5401 7.5689 7.7579 7.8378 7.9613 8.0342 8.2282 8.2699 8.5086 8.5296 10.1830 10.2040 10.9659 10.9928 11.7015 11.7885 11.8374 11.8837 12.1451 12.1976 12.4163 12.4566 k =-0.0727-0.0914 0.0349 ( 6727 PWs) bands (ev): -4.3717 -4.3705 -2.6593 -2.6495 -2.2046 -2.1945 -1.2122 -1.2046 0.4731 0.4868 1.0106 1.0259 1.5998 1.6280 1.9880 2.0252 2.5539 2.5670 3.3644 3.3791 3.5096 3.5578 3.7019 3.7335 3.8589 3.9222 4.0185 4.1415 4.2216 4.3093 4.5495 4.6470 4.7671 4.8339 4.9188 4.9891 5.1549 5.1663 5.3454 5.4129 5.4973 5.6084 5.6740 5.6910 6.0956 6.1584 6.3002 6.4072 6.4383 6.5593 6.6035 6.6384 7.0564 7.1114 7.5371 7.5591 7.7801 7.8510 7.9778 8.0472 8.2250 8.2590 8.5059 8.5238 10.1673 10.1867 10.9537 10.9794 11.7450 11.8244 11.9286 11.9637 12.1578 12.2024 12.4221 12.4749 k =-0.0636-0.0800 0.0305 ( 6716 PWs) bands (ev): -4.3886 -4.3875 -2.6540 -2.6445 -2.2282 -2.2185 -1.1729 -1.1659 0.4894 0.5016 1.0108 1.0252 1.6390 1.6654 2.0243 2.0615 2.5525 2.5650 3.3967 3.4180 3.5332 3.5817 3.7082 3.7434 3.8352 3.9016 3.9909 4.1139 4.2161 4.2988 4.5315 4.6265 4.7512 4.8241 4.8871 4.9614 5.1278 5.1431 5.3357 5.3940 5.4888 5.5732 5.6588 5.6838 6.0752 6.1481 6.2331 6.3417 6.4214 6.5452 6.6362 6.6633 7.0514 7.1145 7.5313 7.5501 7.7812 7.8403 8.0082 8.0734 8.2259 8.2559 8.5065 8.5222 10.1536 10.1711 10.9409 10.9652 11.7806 11.8508 11.9927 12.0201 12.1905 12.2333 12.4200 12.4822 k =-0.0545-0.0685 0.0262 ( 6714 PWs) bands (ev): -4.4033 -4.4024 -2.6479 -2.6391 -2.2502 -2.2411 -1.1373 -1.1310 0.5037 0.5144 1.0076 1.0207 1.6793 1.7038 2.0595 2.0959 2.5493 2.5615 3.4120 3.4371 3.5557 3.6034 3.7159 3.7572 3.8210 3.8830 3.9750 4.0904 4.2256 4.3004 4.5170 4.6075 4.7351 4.8139 4.8571 4.9355 5.0912 5.1164 5.3245 5.3809 5.4697 5.5413 5.6486 5.6814 6.0469 6.1075 6.1946 6.2914 6.4111 6.5279 6.6665 6.7077 7.0433 7.1145 7.5260 7.5435 7.7703 7.8202 8.0327 8.0964 8.2330 8.2634 8.5114 8.5266 10.1419 10.1573 10.9279 10.9503 11.8145 11.8763 12.0210 12.0409 12.2358 12.2888 12.4148 12.4866 k =-0.0455-0.0571 0.0218 ( 6708 PWs) bands (ev): -4.4158 -4.4150 -2.6414 -2.6334 -2.2702 -2.2619 -1.1059 -1.1004 0.5160 0.5251 1.0025 1.0139 1.7190 1.7411 2.0930 2.1278 2.5443 2.5562 3.4152 3.4413 3.5668 3.6137 3.7231 3.7684 3.8244 3.8707 3.9756 4.0766 4.2464 4.3138 4.5058 4.5894 4.7176 4.8024 4.8312 4.9125 5.0479 5.0849 5.3112 5.3722 5.4413 5.5136 5.6448 5.6802 6.0108 6.0498 6.1810 6.2628 6.4031 6.5104 6.7003 6.7543 7.0320 7.1101 7.5227 7.5396 7.7552 7.7977 8.0462 8.1049 8.2483 8.2773 8.5216 8.5374 10.1322 10.1454 10.9153 10.9353 11.8479 11.9007 12.0296 12.0425 12.2718 12.3395 12.4143 12.4924 k =-0.0364-0.0457 0.0174 ( 6709 PWs) bands (ev): -4.4260 -4.4254 -2.6349 -2.6280 -2.2875 -2.2803 -1.0793 -1.0747 0.5262 0.5336 0.9967 1.0061 1.7560 1.7751 2.1243 2.1562 2.5380 2.5494 3.4122 3.4367 3.5646 3.6068 3.7293 3.7752 3.8385 3.8693 3.9920 4.0734 4.2763 4.3388 4.4976 4.5731 4.6970 4.7896 4.8120 4.8928 4.9995 5.0494 5.2967 5.3616 5.4143 5.4878 5.6460 5.6792 5.9730 5.9988 6.1764 6.2474 6.3986 6.4929 6.7360 6.7992 7.0180 7.1005 7.5220 7.5380 7.7403 7.7755 8.0518 8.1011 8.2668 8.2909 8.5370 8.5530 10.1245 10.1353 10.9040 10.9209 11.8799 11.9224 12.0277 12.0412 12.2900 12.3567 12.4319 12.4983 k =-0.0273-0.0343 0.0131 ( 6708 PWs) bands (ev): -4.4339 -4.4335 -2.6288 -2.6232 -2.3016 -2.2959 -1.0578 -1.0542 0.5344 0.5399 0.9913 0.9985 1.7882 1.8036 2.1526 2.1797 2.5311 2.5414 3.4072 3.4278 3.5548 3.5887 3.7367 3.7773 3.8512 3.8762 4.0183 4.0779 4.3131 4.3730 4.4911 4.5632 4.6712 4.7779 4.7982 4.8758 4.9497 5.0114 5.2829 5.3409 5.4014 5.4640 5.6501 5.6779 5.9406 5.9598 6.1775 6.2363 6.3990 6.4755 6.7720 6.8394 7.0033 7.0854 7.5238 7.5379 7.7278 7.7553 8.0537 8.0915 8.2824 8.3004 8.5558 8.5702 10.1188 10.1270 10.8946 10.9079 11.9088 11.9400 12.0214 12.0414 12.2961 12.3500 12.4556 12.5011 k =-0.0182-0.0228 0.0087 ( 6708 PWs) bands (ev): -4.4396 -4.4393 -2.6236 -2.6197 -2.3120 -2.3079 -1.0419 -1.0395 0.5404 0.5442 0.9872 0.9920 1.8137 1.8246 2.1767 2.1968 2.5252 2.5333 3.4030 3.4178 3.5446 3.5683 3.7452 3.7748 3.8621 3.8819 4.0463 4.0847 4.3524 4.4093 4.4845 4.5651 4.6446 4.7639 4.7901 4.8545 4.9122 4.9735 5.2732 5.3148 5.4009 5.4436 5.6557 5.6757 5.9181 5.9319 6.1830 6.2254 6.4044 6.4584 6.8068 6.8690 6.9930 7.0652 7.5274 7.5381 7.7192 7.7383 8.0551 8.0806 8.2935 8.3053 8.5740 8.5849 10.1152 10.1207 10.8880 10.8972 11.9316 11.9525 12.0175 12.0407 12.2985 12.3370 12.4726 12.5003 k =-0.0091-0.0114 0.0044 ( 6711 PWs) bands (ev): -4.4430 -4.4428 -2.6198 -2.6177 -2.3179 -2.3158 -1.0320 -1.0307 0.5444 0.5463 0.9849 0.9874 1.8309 1.8366 2.1947 2.2055 2.5219 2.5264 3.4014 3.4092 3.5394 3.5515 3.7539 3.7693 3.8716 3.8826 4.0691 4.0878 4.3881 4.4279 4.4912 4.5585 4.6446 4.7330 4.7925 4.8251 4.9034 4.9398 5.2707 5.2922 5.4062 5.4274 5.6617 5.6722 5.9066 5.9140 6.1917 6.2139 6.4140 6.4420 6.8388 6.8780 6.9967 7.0412 7.5315 7.5374 7.7157 7.7256 8.0579 8.0707 8.3007 8.3066 8.5880 8.5938 10.1135 10.1163 10.8847 10.8894 11.9468 11.9579 12.0205 12.0367 12.3029 12.3233 12.4836 12.4968 k = 0.0000 0.0000 0.0000 ( 6705 PWs) bands (ev): -4.4440 -4.4440 -2.6178 -2.6178 -2.3192 -2.3192 -1.0282 -1.0282 0.5464 0.5464 0.9850 0.9850 1.8387 1.8387 2.2048 2.2048 2.5222 2.5222 3.4034 3.4034 3.5415 3.5415 3.7622 3.7622 3.8788 3.8788 4.0831 4.0831 4.4152 4.4152 4.5245 4.5245 4.6856 4.6856 4.8040 4.8040 4.9150 4.9150 5.2770 5.2770 5.4150 5.4150 5.6674 5.6674 5.9055 5.9055 6.2024 6.2024 6.4269 6.4269 6.8647 6.8647 7.0160 7.0160 7.5351 7.5351 7.7178 7.7178 8.0630 8.0630 8.3050 8.3050 8.5950 8.5950 10.1139 10.1139 10.8851 10.8851 11.9554 11.9554 12.0288 12.0288 12.3113 12.3113 12.4912 12.4912 k = 0.0000 0.0000 0.0000 ( 6705 PWs) bands (ev): -4.4440 -4.4440 -2.6178 -2.6178 -2.3192 -2.3192 -1.0282 -1.0282 0.5464 0.5464 0.9850 0.9850 1.8387 1.8387 2.2048 2.2048 2.5222 2.5222 3.4034 3.4034 3.5415 3.5415 3.7622 3.7622 3.8788 3.8788 4.0831 4.0831 4.4152 4.4152 4.5245 4.5245 4.6856 4.6856 4.8040 4.8040 4.9150 4.9150 5.2770 5.2770 5.4150 5.4150 5.6674 5.6674 5.9055 5.9055 6.2024 6.2024 6.4269 6.4269 6.8647 6.8647 7.0160 7.0160 7.5351 7.5351 7.7178 7.7178 8.0630 8.0630 8.3050 8.3050 8.5950 8.5950 10.1139 10.1139 10.8851 10.8851 11.9554 11.9554 12.0288 12.0288 12.3113 12.3113 12.4912 12.4912 k = 0.0000 0.0000 0.0151 ( 6703 PWs) bands (ev): -4.4432 -4.4431 -2.6359 -2.6323 -2.3043 -2.3000 -1.0284 -1.0282 0.5437 0.5453 0.9850 0.9876 1.8315 1.8390 2.2029 2.2113 2.5226 2.5256 3.3999 3.4057 3.5382 3.5441 3.7558 3.7675 3.8693 3.8881 4.0736 4.0916 4.3992 4.4257 4.5120 4.5349 4.6555 4.7098 4.7876 4.8181 4.9081 4.9362 5.2600 5.2971 5.4043 5.4300 5.6511 5.6692 5.9082 5.9200 6.1898 6.2073 6.4149 6.4331 6.8413 6.8842 6.9964 7.0487 7.5166 7.5472 7.7080 7.7412 8.0463 8.0773 8.2963 8.3108 8.5873 8.5951 10.1195 10.1237 10.8854 10.8881 11.9461 11.9592 12.0110 12.0198 12.3059 12.3167 12.4844 12.5017 k = 0.0000 0.0000 0.0301 ( 6704 PWs) bands (ev): -4.4406 -4.4404 -2.6779 -2.6724 -2.2624 -2.2555 -1.0288 -1.0283 0.5373 0.5405 0.9877 0.9926 1.8180 1.8322 2.2057 2.2217 2.5269 2.5328 3.3953 3.4066 3.5342 3.5460 3.7486 3.7713 3.8600 3.8968 4.0637 4.0986 4.3791 4.4264 4.5002 4.5425 4.6251 4.7154 4.7852 4.8245 4.9185 4.9657 5.2485 5.3160 5.4009 5.4453 5.6246 5.6602 5.9262 5.9473 6.1696 6.2041 6.3997 6.4333 6.8204 6.8902 6.9983 7.0874 7.4966 7.5477 7.7153 7.7740 8.0277 8.0889 8.2850 8.3139 8.5725 8.5882 10.1401 10.1484 10.8888 10.8941 11.9213 11.9577 11.9761 11.9926 12.2985 12.3171 12.4817 12.5150 k = 0.0000 0.0000 0.0452 ( 6707 PWs) bands (ev): -4.4363 -4.4360 -2.7318 -2.7255 -2.2061 -2.1978 -1.0294 -1.0285 0.5275 0.5321 0.9926 0.9998 1.7996 1.8193 2.2126 2.2346 2.5352 2.5436 3.3898 3.4063 3.5292 3.5470 3.7409 3.7734 3.8512 3.9042 4.0542 4.1039 4.3556 4.4116 4.4932 4.5482 4.5965 4.7033 4.7986 4.8288 4.9414 4.9992 5.2436 5.3297 5.4044 5.4569 5.5947 5.6502 5.9526 5.9813 6.1422 6.1919 6.3862 6.4297 6.8045 6.8841 7.0190 7.1274 7.4773 7.5372 7.7365 7.8134 8.0081 8.0976 8.2718 8.3149 8.5520 8.5758 10.1744 10.1868 10.8955 10.9034 11.8704 11.9154 11.9584 11.9766 12.2847 12.3086 12.4824 12.5287 k = 0.0000 0.0000 0.0603 ( 6705 PWs) bands (ev): -4.4304 -4.4299 -2.7907 -2.7841 -2.1429 -2.1336 -1.0302 -1.0290 0.5147 0.5205 0.9994 1.0086 1.7777 1.8016 2.2224 2.2488 2.5474 2.5581 3.3834 3.4047 3.5231 3.5468 3.7331 3.7733 3.8433 3.9095 4.0460 4.1076 4.3287 4.3828 4.4875 4.5513 4.5734 4.6914 4.8124 4.8382 4.9705 5.0332 5.2455 5.3370 5.4066 5.4640 5.5683 5.6472 5.9803 6.0158 6.1120 6.1716 6.3787 6.4253 6.7943 6.8750 7.0474 7.1656 7.4590 7.5201 7.7639 7.8556 7.9900 8.1028 8.2579 8.3149 8.5277 8.5601 10.2206 10.2370 10.9057 10.9159 11.8033 11.8472 11.9493 11.9699 12.2647 12.2912 12.4828 12.5381 k = 0.0000 0.0000 0.0754 ( 6701 PWs) bands (ev): -4.4227 -4.4221 -2.8514 -2.8449 -2.0762 -2.0664 -1.0311 -1.0296 0.4993 0.5062 1.0075 1.0183 1.7538 1.7806 2.2340 2.2632 2.5636 2.5762 3.3762 3.4019 3.5156 3.5448 3.7254 3.7706 3.8369 3.9116 4.0400 4.1099 4.2989 4.3459 4.4775 4.5357 4.5741 4.6872 4.8235 4.8527 5.0015 5.0647 5.2533 5.3379 5.4002 5.4664 5.5543 5.6513 5.9991 6.0381 6.0969 6.1486 6.3787 6.4225 6.7891 6.8674 7.0772 7.1999 7.4413 7.5002 7.7897 7.8919 7.9805 8.1032 8.2453 8.3157 8.5023 8.5437 10.2766 10.2970 10.9194 10.9318 11.7300 11.7733 11.9368 11.9634 12.2413 12.2669 12.4788 12.5395 k = 0.0000 0.0000 0.0904 ( 6706 PWs) bands (ev): -4.4136 -4.4129 -2.9123 -2.9060 -2.0081 -1.9978 -1.0322 -1.0304 0.4817 0.4894 1.0163 1.0284 1.7289 1.7578 2.2465 2.2772 2.5835 2.5977 3.3683 3.3980 3.5065 3.5408 3.7182 3.7650 3.8320 3.9092 4.0371 4.1114 4.2666 4.3054 4.4632 4.5123 4.5885 4.6912 4.8351 4.8682 5.0301 5.0909 5.2645 5.3297 5.3915 5.4634 5.5566 5.6569 5.9887 6.0431 6.1118 6.1394 6.3854 6.4226 6.7884 6.8623 7.1060 7.2289 7.4232 7.4799 7.8071 7.9051 7.9950 8.0973 8.2362 8.3198 8.4787 8.5295 10.3400 10.3644 10.9370 10.9513 11.6558 11.6985 11.9203 11.9541 12.2163 12.2380 12.4680 12.5317 k = 0.0000 0.0000 0.1055 ( 6708 PWs) bands (ev): -4.4029 -4.4021 -2.9724 -2.9663 -1.9396 -1.9290 -1.0334 -1.0314 0.4622 0.4707 1.0252 1.0383 1.7043 1.7343 2.2591 2.2902 2.6070 2.6224 3.3596 3.3932 3.4960 3.5343 3.7115 3.7566 3.8284 3.9017 4.0377 4.1124 4.2321 4.2649 4.4474 4.4906 4.6068 4.7015 4.8486 4.8829 5.0507 5.1104 5.2693 5.3197 5.3876 5.4635 5.5671 5.6580 5.9606 6.0384 6.1234 6.1660 6.3969 6.4273 6.7916 6.8597 7.1325 7.2516 7.4043 7.4609 7.8110 7.8988 8.0262 8.0848 8.2318 8.3277 8.4614 8.5207 10.4082 10.4369 10.9586 10.9746 11.5843 11.6262 11.8999 11.9413 12.1890 12.2060 12.4514 12.5173 k = 0.0000 0.0000 0.1206 ( 6709 PWs) bands (ev): -4.3910 -4.3901 -3.0311 -3.0253 -1.8716 -1.8607 -1.0349 -1.0325 0.4414 0.4504 1.0337 1.0473 1.6808 1.7113 2.2715 2.3020 2.6336 2.6501 3.3499 3.3874 3.4842 3.5254 3.7052 3.7457 3.8253 3.8889 4.0416 4.1131 4.1961 4.2279 4.4327 4.4721 4.6272 4.7162 4.8633 4.8958 5.0568 5.1239 5.2558 5.3217 5.3906 5.4721 5.5777 5.6532 5.9356 6.0244 6.1422 6.2018 6.4105 6.4383 6.7984 6.8595 7.1550 7.2663 7.3857 7.4453 7.8006 7.8873 8.0517 8.0693 8.2322 8.3349 8.4575 8.5205 10.4787 10.5120 10.9845 11.0018 11.5181 11.5590 11.8761 11.9251 12.1559 12.1725 12.4323 12.5006 k = 0.0000 0.0000 0.1357 ( 6716 PWs) bands (ev): -4.3778 -4.3769 -3.0879 -3.0824 -1.8046 -1.7936 -1.0366 -1.0339 0.4195 0.4289 1.0412 1.0551 1.6593 1.6896 2.2833 2.3127 2.6630 2.6804 3.3389 3.3804 3.4716 3.5145 3.6985 3.7328 3.8218 3.8720 4.0477 4.1120 4.1608 4.1977 4.4209 4.4572 4.6486 4.7333 4.8783 4.9056 5.0468 5.1291 5.2391 5.3239 5.4011 5.4876 5.5859 5.6482 5.9188 6.0097 6.1654 6.2357 6.4250 6.4562 6.8083 6.8617 7.1707 7.2697 7.3711 7.4354 7.7809 7.8708 8.0451 8.0722 8.2359 8.3341 8.4733 8.5312 10.5488 10.5873 11.0148 11.0330 11.4600 11.4996 11.8505 11.9064 12.1155 12.1374 12.4145 12.4849 k = 0.0000 0.0000 0.1507 ( 6719 PWs) bands (ev): -4.3637 -4.3627 -3.1423 -3.1371 -1.7394 -1.7283 -1.0384 -1.0355 0.3968 0.4065 1.0475 1.0611 1.6403 1.6698 2.2945 2.3223 2.6948 2.7131 3.3262 3.3719 3.4585 3.5023 3.6902 3.7184 3.8167 3.8531 4.0530 4.1046 4.1324 4.1787 4.4127 4.4460 4.6698 4.7507 4.8916 4.9105 5.0260 5.1215 5.2318 5.3197 5.4110 5.5053 5.5935 5.6548 5.9094 5.9964 6.1896 6.2645 6.4422 6.4788 6.8209 6.8665 7.1756 7.2587 7.3663 7.4333 7.7565 7.8477 8.0267 8.0759 8.2396 8.3258 8.5049 8.5532 10.6160 10.6600 11.0489 11.0678 11.4126 11.4505 11.8247 11.8862 12.0705 12.0987 12.4002 12.4711 k = 0.0000 0.0000 0.1658 ( 6724 PWs) bands (ev): -4.3489 -4.3478 -3.1939 -3.1891 -1.6766 -1.6655 -1.0405 -1.0373 0.3740 0.3837 1.0522 1.0653 1.6243 1.6524 2.3049 2.3307 2.7285 2.7478 3.3114 3.3614 3.4459 3.4899 3.6789 3.7028 3.8085 3.8351 4.0494 4.0887 4.1191 4.1747 4.4084 4.4382 4.6895 4.7661 4.8989 4.9100 5.0025 5.1050 5.2314 5.3092 5.4171 5.5148 5.6129 5.6771 5.9046 5.9834 6.2131 6.2871 6.4634 6.5031 6.8356 6.8745 7.1669 7.2354 7.3729 7.4391 7.7304 7.8186 8.0095 8.0729 8.2402 8.3149 8.5438 8.5837 10.6779 10.7276 11.0853 11.1051 11.3788 11.4152 11.8003 11.8657 12.0239 12.0569 12.3884 12.4575 k = 0.0000 0.0000 0.1809 ( 6722 PWs) bands (ev): -4.3337 -4.3326 -3.2424 -3.2379 -1.6168 -1.6058 -1.0429 -1.0394 0.3512 0.3608 1.0553 1.0674 1.6114 1.6376 2.3146 2.3381 2.7638 2.7842 3.2942 3.3478 3.4344 3.4784 3.6637 3.6857 3.7972 3.8207 4.0329 4.0698 4.1238 4.1826 4.4077 4.4337 4.7056 4.7763 4.8924 4.9049 4.9872 5.0875 5.2305 5.2941 5.4230 5.5134 5.6509 5.7095 5.9015 5.9703 6.2340 6.3034 6.4883 6.5276 6.8516 6.8862 7.1453 7.2049 7.3872 7.4510 7.7043 7.7854 7.9944 8.0663 8.2374 8.3043 8.5841 8.6180 10.7328 10.7879 11.1205 11.1424 11.3609 11.3976 11.7789 11.8454 11.9791 12.0142 12.3757 12.4415 k = 0.0000 0.0000 0.1960 ( 6724 PWs) bands (ev): -4.3183 -4.3172 -3.2871 -3.2831 -1.5606 -1.5500 -1.0454 -1.0418 0.3291 0.3383 1.0570 1.0678 1.6017 1.6255 2.3234 2.3445 2.8004 2.8221 3.2743 3.3302 3.4250 3.4685 3.6453 3.6664 3.7853 3.8088 4.0133 4.0494 4.1405 4.1978 4.4102 4.4321 4.7148 4.7782 4.8749 4.8909 4.9875 5.0731 5.2255 5.2784 5.4318 5.5102 5.6992 5.7460 5.8983 5.9579 6.2503 6.3142 6.5153 6.5516 6.8685 6.9011 7.1151 7.1713 7.4036 7.4668 7.6797 7.7506 7.9820 8.0581 8.2327 8.2947 8.6222 8.6518 10.7800 10.8394 11.1496 11.1772 11.3602 11.4007 11.7615 11.8255 11.9400 11.9738 12.3574 12.4203 k = 0.0000 0.0000 0.2110 ( 6723 PWs) bands (ev): -4.3033 -4.3023 -3.3276 -3.3241 -1.5089 -1.4988 -1.0482 -1.0444 0.3082 0.3167 1.0573 1.0667 1.5949 1.6159 2.3315 2.3499 2.8379 2.8612 3.2516 3.3083 3.4183 3.4605 3.6250 3.6453 3.7755 3.7980 3.9961 4.0297 4.1633 4.2177 4.4149 4.4325 4.7137 4.7702 4.8524 4.8723 4.9986 5.0632 5.2169 5.2653 5.4436 5.5094 5.7511 5.7815 5.8930 5.9503 6.2597 6.3197 6.5431 6.5758 6.8858 6.9164 7.0811 7.1378 7.4172 7.4842 7.6578 7.7177 7.9724 8.0490 8.2280 8.2859 8.6560 8.6820 10.8199 10.8817 11.1715 11.2077 11.3746 11.4216 11.7482 11.8048 11.9112 11.9405 12.3290 12.3914 k = 0.0000 0.0000 0.2261 ( 6722 PWs) bands (ev): -4.2892 -4.2882 -3.3634 -3.3604 -1.4625 -1.4531 -1.0511 -1.0474 0.2891 0.2967 1.0567 1.0645 1.5906 1.6085 2.3387 2.3543 2.8760 2.9012 3.2263 3.2820 3.4144 3.4543 3.6045 3.6235 3.7682 3.7878 3.9826 4.0119 4.1899 4.2412 4.4205 4.4340 4.7014 4.7540 4.8297 4.8530 5.0140 5.0593 5.2079 5.2548 5.4573 5.5114 5.7959 5.8173 5.8834 5.9548 6.2608 6.3190 6.5714 6.6015 6.9012 6.9272 7.0485 7.1091 7.4246 7.4993 7.6400 7.6907 7.9660 8.0394 8.2246 8.2777 8.6844 8.7067 10.8536 10.9151 11.1894 11.2347 11.3973 11.4506 11.7371 11.7825 11.8967 11.9215 12.2907 12.3474 k = 0.0000 0.0000 0.2412 ( 6732 PWs) bands (ev): -4.2765 -4.2756 -3.3939 -3.3914 -1.4221 -1.4139 -1.0540 -1.0505 0.2724 0.2789 1.0556 1.0618 1.5884 1.6029 2.3450 2.3577 2.9145 2.9419 3.1984 3.2519 3.4133 3.4493 3.5853 3.6029 3.7629 3.7786 3.9726 3.9965 4.2193 4.2669 4.4249 4.4352 4.6822 4.7323 4.8089 4.8330 5.0298 5.0621 5.2010 5.2457 5.4718 5.5149 5.8143 5.8657 5.8708 5.9751 6.2536 6.3110 6.6006 6.6296 6.9060 6.9285 7.0258 7.0905 7.4256 7.5052 7.6291 7.6733 7.9631 8.0290 8.2233 8.2697 8.7070 8.7254 10.8825 10.9400 11.2074 11.2598 11.4193 11.4775 11.7250 11.7584 11.8996 11.9235 12.2473 12.2896 k = 0.0000 0.0000 0.2563 ( 6736 PWs) bands (ev): -4.2657 -4.2650 -3.4183 -3.4164 -1.3889 -1.3821 -1.0567 -1.0537 0.2588 0.2639 1.0543 1.0589 1.5877 1.5986 2.3503 2.3599 2.9530 2.9829 3.1682 3.2187 3.4146 3.4448 3.5691 3.5846 3.7593 3.7707 3.9658 3.9839 4.2502 4.2933 4.4251 4.4349 4.6635 4.7087 4.7905 4.8124 5.0444 5.0697 5.1972 5.2368 5.4860 5.5184 5.8189 5.8542 5.9192 6.0050 6.2401 6.2953 6.6312 6.6598 6.8913 6.9161 7.0232 7.0839 7.4230 7.4964 7.6288 7.6647 7.9636 8.0181 8.2243 8.2618 8.7241 8.7382 10.9076 10.9566 11.2271 11.2820 11.4360 11.4956 11.7116 11.7345 11.9211 11.9458 12.2025 12.2309 k = 0.0000 0.0000 0.2713 ( 6735 PWs) bands (ev): -4.2574 -4.2569 -3.4362 -3.4349 -1.3637 -1.3589 -1.0589 -1.0566 0.2489 0.2524 1.0533 1.0564 1.5880 1.5954 2.3546 2.3611 2.9912 3.0239 3.1360 3.1828 3.4179 3.4401 3.5577 3.5696 3.7571 3.7645 3.9619 3.9739 4.2814 4.3175 4.4198 4.4312 4.6513 4.6866 4.7761 4.7931 5.0576 5.0771 5.1972 5.2275 5.4988 5.5205 5.8190 5.8402 5.9683 6.0339 6.2250 6.2731 6.6629 6.6894 6.8654 6.8906 7.0371 7.0833 7.4213 7.4769 7.6364 7.6609 7.9677 8.0067 8.2275 8.2540 8.7363 8.7458 10.9292 10.9653 11.2486 11.2968 11.4491 11.5020 11.6992 11.7145 11.9571 11.9828 12.1562 12.1768 k = 0.0000 0.0000 0.2864 ( 6739 PWs) bands (ev): -4.2522 -4.2519 -3.4471 -3.4464 -1.3475 -1.3450 -1.0601 -1.0589 0.2431 0.2449 1.0529 1.0544 1.5891 1.5928 2.3579 2.3612 3.0288 3.0642 3.1025 3.1451 3.4229 3.4347 3.5521 3.5586 3.7565 3.7601 3.9608 3.9668 4.3101 4.3333 4.4129 4.4231 4.6488 4.6683 4.7682 4.7777 5.0690 5.0801 5.2013 5.2179 5.5091 5.5201 5.8193 5.8293 6.0108 6.0493 6.2173 6.2478 6.6929 6.7116 6.8432 6.8616 7.0555 7.0804 7.4250 7.4548 7.6457 7.6580 7.9747 7.9951 8.2326 8.2463 8.7442 8.7490 10.9469 10.9661 11.2702 11.2990 11.4639 11.4963 11.6919 11.7006 12.0013 12.0269 12.1078 12.1286 k = 0.0000 0.0000 0.3015 ( 6738 PWs) bands (ev): -4.2503 -4.2503 -3.4505 -3.4505 -1.3412 -1.3412 -1.0601 -1.0601 0.2418 0.2418 1.0533 1.0533 1.5908 1.5908 2.3601 2.3601 3.0651 3.0651 3.1063 3.1063 3.4287 3.4287 3.5525 3.5525 3.7574 3.7574 3.9625 3.9625 4.3307 4.3307 4.4140 4.4140 4.6551 4.6551 4.7688 4.7688 5.0771 5.0771 5.2087 5.2087 5.5164 5.5164 5.8223 5.8223 6.0408 6.0408 6.2261 6.2261 6.7134 6.7134 6.8411 6.8411 7.0711 7.0711 7.4364 7.4364 7.6532 7.6532 7.9842 7.9842 8.2390 8.2390 8.7484 8.7484 10.9596 10.9596 11.2886 11.2886 11.4815 11.4815 11.6927 11.6927 12.0453 12.0453 12.0864 12.0864 k = 0.0000-0.4645 0.2787 ( 6762 PWs) bands (ev): -3.4412 -3.4412 -2.9906 -2.9906 -2.5853 -2.5853 -1.7051 -1.7051 -0.3841 -0.3841 1.2375 1.2375 1.3942 1.3942 2.1283 2.1283 2.2551 2.2551 2.9781 2.9781 3.4150 3.4150 3.6233 3.6233 3.9502 3.9502 4.2350 4.2350 4.4767 4.4767 4.6296 4.6296 5.1388 5.1388 5.2353 5.2353 5.5123 5.5123 5.5948 5.5948 6.0593 6.0593 6.1725 6.1725 6.2864 6.2864 6.5288 6.5288 6.8078 6.8078 6.9853 6.9853 7.4723 7.4723 7.6529 7.6529 7.9907 7.9907 8.4130 8.4130 8.7003 8.7003 9.2615 9.2615 10.5218 10.5218 10.9817 10.9817 11.3421 11.3421 11.5148 11.5148 11.7344 11.7344 11.8255 11.8255 k = 0.0000-0.4516 0.2709 ( 6759 PWs) bands (ev): -3.4473 -3.4464 -2.9879 -2.9864 -2.5842 -2.5830 -1.7037 -1.7021 -0.3851 -0.3818 1.2365 1.2384 1.3910 1.3938 2.1070 2.1146 2.2699 2.2799 2.9793 2.9810 3.4142 3.4173 3.6221 3.6254 3.9413 3.9582 4.2274 4.2443 4.4709 4.4825 4.6214 4.6389 5.1321 5.1418 5.2260 5.2418 5.5018 5.5169 5.5857 5.6027 6.0495 6.0629 6.1550 6.1914 6.2746 6.2970 6.5214 6.5370 6.8059 6.8155 6.9807 6.9870 7.4614 7.4734 7.6412 7.6604 7.9766 8.0071 8.4025 8.4190 8.6921 8.7044 9.2559 9.2661 10.5200 10.5280 10.9834 10.9947 11.3279 11.3530 11.5132 11.5208 11.7196 11.7533 11.8166 11.8396 k = 0.0000-0.4387 0.2632 ( 6760 PWs) bands (ev): -3.4639 -3.4623 -2.9791 -2.9763 -2.5796 -2.5773 -1.6979 -1.6949 -0.3849 -0.3784 1.2348 1.2390 1.3847 1.3900 2.0710 2.0806 2.3097 2.3239 2.9845 2.9880 3.4149 3.4211 3.6219 3.6286 3.9320 3.9650 4.2218 4.2547 4.4655 4.4881 4.6146 4.6488 5.1218 5.1405 5.2146 5.2452 5.4866 5.5151 5.5756 5.6086 6.0365 6.0578 6.1432 6.2075 6.2639 6.3055 6.5163 6.5432 6.8106 6.8266 6.9730 6.9863 7.4409 7.4622 7.6291 7.6640 7.9662 8.0240 8.3883 8.4190 8.6810 8.7040 9.2495 9.2693 10.5238 10.5388 10.9992 11.0195 11.3109 11.3593 11.5165 11.5320 11.7093 11.7733 11.8144 11.8600 k = 0.0000-0.4258 0.2554 ( 6764 PWs) bands (ev): -3.4892 -3.4871 -2.9664 -2.9624 -2.5709 -2.5674 -1.6882 -1.6837 -0.3836 -0.3738 1.2314 1.2384 1.3769 1.3837 2.0344 2.0443 2.3558 2.3720 2.9937 2.9988 3.4174 3.4265 3.6228 3.6334 3.9227 3.9702 4.2186 4.2657 4.4606 4.4932 4.6096 4.6588 5.1077 5.1333 5.2025 5.2453 5.4678 5.5074 5.5648 5.6121 6.0234 6.0456 6.1375 6.2149 6.2590 6.3120 6.5132 6.5449 6.8204 6.8378 6.9621 6.9842 7.4101 7.4360 7.6223 7.6671 7.9594 8.0396 8.3708 8.4112 8.6690 8.7000 9.2424 9.2708 10.5345 10.5555 11.0248 11.0509 11.2915 11.3604 11.5260 11.5506 11.7024 11.7857 11.8272 11.8881 k = 0.0000-0.4129 0.2477 ( 6761 PWs) bands (ev): -3.5212 -3.5187 -2.9524 -2.9473 -2.5574 -2.5527 -1.6750 -1.6691 -0.3808 -0.3680 1.2242 1.2351 1.3701 1.3771 2.0019 2.0117 2.4013 2.4187 3.0063 3.0132 3.4218 3.4336 3.6250 3.6400 3.9139 3.9737 4.2180 4.2769 4.4565 4.4976 4.6068 4.6682 5.0891 5.1189 5.1914 5.2422 5.4468 5.4948 5.5538 5.6130 6.0122 6.0313 6.1345 6.2093 6.2641 6.3172 6.5106 6.5417 6.8303 6.8459 6.9485 6.9814 7.3695 7.3962 7.6233 7.6734 7.9553 8.0529 8.3496 8.3938 8.6582 8.6941 9.2343 9.2701 10.5528 10.5792 11.0541 11.0833 11.2701 11.3564 11.5415 11.5777 11.6971 11.7892 11.8577 11.9254 k = 0.0000-0.4000 0.2400 ( 6764 PWs) bands (ev): -3.5578 -3.5551 -2.9392 -2.9334 -2.5381 -2.5324 -1.6589 -1.6518 -0.3767 -0.3608 1.2115 1.2271 1.3668 1.3731 1.9750 1.9849 2.4431 2.4612 3.0211 3.0306 3.4280 3.4429 3.6289 3.6493 3.9059 3.9759 4.2197 4.2877 4.4535 4.5013 4.6060 4.6763 5.0650 5.0974 5.1820 5.2358 5.4249 5.4793 5.5432 5.6111 6.0036 6.0191 6.1308 6.1957 6.2741 6.3220 6.5073 6.5349 6.8324 6.8491 6.9330 6.9773 7.3215 7.3485 7.6309 7.6845 7.9530 8.0634 8.3248 8.3667 8.6495 8.6892 9.2248 9.2670 10.5782 10.6100 11.0808 11.1127 11.2470 11.3488 11.5595 11.6111 11.6932 11.7930 11.8993 11.9722 k = 0.0000-0.3871 0.2322 ( 6759 PWs) bands (ev): -3.5977 -3.5949 -2.9285 -2.9220 -2.5128 -2.5062 -1.6409 -1.6325 -0.3711 -0.3523 1.1927 1.2134 1.3682 1.3743 1.9543 1.9643 2.4796 2.4981 3.0366 3.0498 3.4359 3.4545 3.6353 3.6620 3.8993 3.9774 4.2236 4.2978 4.4518 4.5044 4.6069 4.6822 5.0350 5.0709 5.1729 5.2266 5.4034 5.4628 5.5336 5.6072 5.9958 6.0115 6.1239 6.1786 6.2844 6.3268 6.5022 6.5269 6.8226 6.8446 6.9159 6.9688 7.2708 7.2993 7.6426 7.7000 7.9520 8.0711 8.2961 8.3317 8.6433 8.6879 9.2132 9.2612 10.6089 10.6467 11.1004 11.1372 11.2223 11.3387 11.5717 11.6385 11.6991 11.8034 11.9484 12.0274 k = 0.0000-0.3742 0.2245 ( 6757 PWs) bands (ev): -3.6397 -3.6369 -2.9209 -2.9139 -2.4815 -2.4741 -1.6217 -1.6123 -0.3638 -0.3422 1.1691 1.1942 1.3744 1.3813 1.9397 1.9498 2.5102 2.5288 3.0509 3.0690 3.4449 3.4683 3.6449 3.6788 3.8945 3.9789 4.2293 4.3068 4.4518 4.5074 4.6087 4.6846 5.0000 5.0419 5.1628 5.2155 5.3830 5.4466 5.5257 5.6021 5.9866 6.0086 6.1116 6.1604 6.2933 6.3319 6.4952 6.5198 6.8024 6.8293 6.8960 6.9516 7.2228 7.2537 7.6558 7.7173 7.9521 8.0758 8.2634 8.2931 8.6395 8.6914 9.1992 9.2527 10.6422 10.6868 11.1116 11.1561 11.1959 11.3261 11.5670 11.6392 11.7292 11.8251 11.9963 12.0787 k = 0.0000-0.3613 0.2167 ( 6752 PWs) bands (ev): -3.6830 -3.6802 -2.9162 -2.9089 -2.4447 -2.4366 -1.6023 -1.5921 -0.3545 -0.3305 1.1428 1.1715 1.3847 1.3932 1.9309 1.9410 2.5349 2.5535 3.0623 3.0860 3.4543 3.4833 3.6584 3.6995 3.8924 3.9815 4.2362 4.3148 4.4535 4.5111 4.6103 4.6820 4.9623 5.0126 5.1504 5.2037 5.3642 5.4314 5.5199 5.5967 5.9752 6.0067 6.0931 6.1429 6.3000 6.3365 6.4872 6.5146 6.7747 6.8040 6.8717 6.9236 7.1806 7.2147 7.6677 7.7333 7.9537 8.0765 8.2262 8.2577 8.6389 8.6992 9.1821 9.2413 10.6746 10.7267 11.1145 11.1657 11.1719 11.3106 11.5420 11.6190 11.7700 11.8562 12.0257 12.0910 k = 0.0000-0.3484 0.2090 ( 6753 PWs) bands (ev): -3.7269 -3.7242 -2.9141 -2.9065 -2.4033 -2.3946 -1.5836 -1.5727 -0.3430 -0.3169 1.1161 1.1474 1.3982 1.4086 1.9274 1.9375 2.5543 2.5729 3.0696 3.0988 3.4638 3.4976 3.6756 3.7232 3.8943 3.9867 4.2443 4.3217 4.4569 4.5161 4.6105 4.6731 4.9248 4.9852 5.1354 5.1922 5.3468 5.4169 5.5167 5.5918 5.9599 5.9989 6.0727 6.1261 6.3038 6.3390 6.4799 6.5109 6.7423 6.7701 6.8443 6.8874 7.1439 7.1824 7.6757 7.7441 7.9570 8.0716 8.1861 8.2310 8.6418 8.7099 9.1618 9.2269 10.7024 10.7624 11.1021 11.1472 11.1752 11.2930 11.5051 11.5864 11.8095 11.8870 12.0472 12.0899 k = 0.0000-0.3355 0.2013 ( 6752 PWs) bands (ev): -3.7711 -3.7685 -2.9137 -2.9059 -2.3581 -2.3490 -1.5665 -1.5551 -0.3291 -0.3012 1.0907 1.1240 1.4139 1.4262 1.9289 1.9388 2.5691 2.5879 3.0723 3.1064 3.4727 3.5099 3.6949 3.7465 3.9022 3.9957 4.2533 4.3280 4.4617 4.5229 4.6086 4.6571 4.8902 4.9618 5.1179 5.1809 5.3306 5.4026 5.5159 5.5880 5.9384 5.9765 6.0595 6.1100 6.3036 6.3364 6.4742 6.5081 6.7080 6.7313 6.8153 6.8507 7.1102 7.1550 7.6776 7.7468 7.9608 8.0595 8.1490 8.2139 8.6478 8.7216 9.1381 9.2094 10.7223 10.7894 11.0668 11.1384 11.1709 11.2799 11.4694 11.5503 11.8441 11.9110 12.0867 12.1120 k = 0.0000-0.3226 0.1935 ( 6749 PWs) bands (ev): -3.8152 -3.8127 -2.9144 -2.9065 -2.3101 -2.3006 -1.5518 -1.5401 -0.3123 -0.2832 1.0680 1.1026 1.4311 1.4452 1.9347 1.9445 2.5802 2.5994 3.0706 3.1085 3.4810 3.5195 3.7136 3.7653 3.9184 4.0091 4.2636 4.3343 4.4670 4.5318 4.6046 4.6348 4.8605 4.9431 5.0991 5.1695 5.3152 5.3881 5.5166 5.5854 5.9089 5.9392 6.0543 6.0945 6.2983 6.3251 6.4704 6.5054 6.6703 6.6978 6.7807 6.8256 7.0777 7.1302 7.6717 7.7400 7.9624 8.0408 8.1206 8.2047 8.6553 8.7322 9.1109 9.1885 10.7318 10.8038 11.0204 11.1148 11.1713 11.2792 11.4448 11.5204 11.8762 11.9323 12.1435 12.1603 k = 0.0000-0.3097 0.1858 ( 6753 PWs) bands (ev): -3.8588 -3.8564 -2.9156 -2.9075 -2.2601 -2.2503 -1.5400 -1.5283 -0.2924 -0.2625 1.0490 1.0844 1.4490 1.4648 1.9444 1.9544 2.5884 2.6083 3.0650 3.1054 3.4886 3.5264 3.7289 3.7768 3.9421 4.0265 4.2754 4.3410 4.4712 4.5418 4.5988 4.6118 4.8364 4.9283 5.0798 5.1574 5.3001 5.3729 5.5169 5.5831 5.8716 5.8954 6.0511 6.0801 6.2868 6.3029 6.4674 6.5015 6.6287 6.6770 6.7438 6.8157 7.0461 7.1068 7.6572 7.7237 7.9592 8.0184 8.1040 8.1997 8.6620 8.7392 9.0801 9.1637 10.7301 10.8038 10.9726 11.0730 11.1852 11.2890 11.4337 11.5023 11.9096 11.9561 12.2102 12.2266 k = 0.0000-0.2968 0.1780 ( 6745 PWs) bands (ev): -3.9017 -3.8994 -2.9166 -2.9085 -2.2091 -2.1988 -1.5317 -1.5201 -0.2692 -0.2390 1.0343 1.0701 1.4671 1.4845 1.9576 1.9681 2.5946 2.6152 3.0564 3.0980 3.4956 3.5311 3.7393 3.7818 3.9692 4.0458 4.2891 4.3483 4.4725 4.5458 4.5850 4.6085 4.8176 4.9153 5.0613 5.1442 5.2843 5.3568 5.5140 5.5794 5.8296 5.8528 6.0455 6.0662 6.2644 6.2741 6.4626 6.4932 6.5928 6.6584 6.7199 6.8182 7.0166 7.0851 7.6340 7.6986 7.9508 7.9963 8.0969 8.1958 8.6656 8.7403 9.0454 9.1341 10.7187 10.7908 10.9309 11.0306 11.2060 11.3034 11.4353 11.4969 11.9472 11.9847 12.2824 12.3010 k = 0.0000-0.2839 0.1703 ( 6744 PWs) bands (ev): -3.9438 -3.9416 -2.9172 -2.9089 -2.1578 -2.1471 -1.5269 -1.5156 -0.2425 -0.2125 1.0242 1.0599 1.4848 1.5036 1.9736 1.9851 2.5993 2.6208 3.0456 3.0875 3.5021 3.5341 3.7449 3.7823 3.9941 4.0642 4.3041 4.3549 4.4708 4.5287 4.5883 4.6209 4.8031 4.9019 5.0443 5.1296 5.2667 5.3388 5.5044 5.5704 5.7900 5.8181 6.0344 6.0532 6.2242 6.2489 6.4500 6.4775 6.5710 6.6297 6.7224 6.8312 6.9912 7.0659 7.6026 7.6655 7.9393 7.9774 8.0945 8.1909 8.6636 8.7335 9.0063 9.0989 10.7011 10.7693 10.8997 10.9966 11.2298 11.3182 11.4484 11.5030 11.9896 12.0186 12.3531 12.3760 k = 0.0000-0.2710 0.1626 ( 6744 PWs) bands (ev): -3.9848 -3.9827 -2.9169 -2.9085 -2.1072 -2.0960 -1.5255 -1.5144 -0.2123 -0.1830 1.0188 1.0540 1.5018 1.5218 1.9918 2.0050 2.6032 2.6256 3.0339 3.0750 3.5084 3.5355 3.7463 3.7804 4.0136 4.0788 4.3173 4.3594 4.4701 4.5025 4.6051 4.6414 4.7931 4.8872 5.0286 5.1135 5.2455 5.3169 5.4861 5.5528 5.7620 5.7963 6.0153 6.0410 6.1766 6.2214 6.4234 6.4577 6.5621 6.6014 6.7428 6.8522 6.9732 7.0505 7.5640 7.6252 7.9266 7.9620 8.0925 8.1839 8.6547 8.7181 8.9624 9.0571 10.6810 10.7443 10.8818 10.9750 11.2538 11.3319 11.4713 11.5183 12.0365 12.0576 12.4063 12.4417 k = 0.0000-0.2581 0.1548 ( 6747 PWs) bands (ev): -4.0246 -4.0227 -2.9155 -2.9069 -2.0585 -2.0468 -1.5266 -1.5158 -0.1787 -0.1504 1.0179 1.0522 1.5181 1.5390 2.0112 2.0266 2.6068 2.6298 3.0227 3.0621 3.5143 3.5360 3.7445 3.7773 4.0266 4.0886 4.3200 4.3653 4.4738 4.4783 4.6259 4.6625 4.7904 4.8726 5.0121 5.0960 5.2188 5.2885 5.4614 5.5282 5.7493 5.7887 5.9886 6.0280 6.1265 6.1917 6.3883 6.4324 6.5557 6.5856 6.7717 6.8765 6.9684 7.0405 7.5194 7.5785 7.9140 7.9491 8.0883 8.1745 8.6384 8.6940 8.9136 9.0088 10.6604 10.7175 10.8795 10.9686 11.2764 11.3450 11.5019 11.5407 12.0867 12.1013 12.4200 12.4578 k = 0.0000-0.2452 0.1471 ( 6752 PWs) bands (ev): -4.0630 -4.0613 -2.9127 -2.9040 -2.0133 -2.0010 -1.5288 -1.5183 -0.1418 -0.1149 1.0210 1.0540 1.5337 1.5550 2.0308 2.0489 2.6104 2.6338 3.0134 3.0505 3.5198 3.5358 3.7406 3.7738 4.0338 4.0937 4.3076 4.3735 4.4572 4.4848 4.6436 4.6762 4.8000 4.8624 4.9917 5.0764 5.1861 5.2518 5.4378 5.5035 5.7482 5.7913 5.9559 6.0112 6.0785 6.1616 6.3519 6.4001 6.5482 6.5828 6.8027 6.8962 6.9855 7.0377 7.4700 7.5262 7.9014 7.9371 8.0807 8.1629 8.6150 8.6619 8.8611 8.9550 10.6383 10.6880 10.8941 10.9793 11.2970 11.3593 11.5376 11.5684 12.1374 12.1493 12.4070 12.4382 k = 0.0000-0.2323 0.1393 ( 6753 PWs) bands (ev): -4.1001 -4.0984 -2.9084 -2.8996 -1.9736 -1.9608 -1.5302 -1.5197 -0.1020 -0.0767 1.0274 1.0589 1.5489 1.5702 2.0493 2.0705 2.6142 2.6376 3.0081 3.0420 3.5243 3.5359 3.7353 3.7700 4.0364 4.0952 4.2861 4.3744 4.4471 4.4965 4.6475 4.6815 4.8202 4.8622 4.9665 5.0522 5.1505 5.2101 5.4212 5.4841 5.7513 5.7977 5.9197 5.9843 6.0424 6.1326 6.3171 6.3646 6.5430 6.5843 6.8290 6.9111 7.0239 7.0463 7.4173 7.4693 7.8876 7.9244 8.0697 8.1498 8.5855 8.6227 8.8072 8.8977 10.6132 10.6554 10.9235 11.0063 11.3167 11.3772 11.5765 11.5998 12.1844 12.1997 12.3886 12.4173 k = 0.0000-0.2194 0.1316 ( 6752 PWs) bands (ev): -4.1356 -4.1340 -2.9025 -2.8936 -1.9423 -1.9288 -1.5277 -1.5173 -0.0597 -0.0362 1.0361 1.0661 1.5640 1.5850 2.0654 2.0899 2.6182 2.6407 3.0088 3.0389 3.5265 3.5381 3.7294 3.7663 4.0355 4.0943 4.2602 4.3621 4.4486 4.5073 4.6354 4.6790 4.8378 4.8702 4.9449 5.0195 5.1200 5.1710 5.4119 5.4715 5.7467 5.8030 5.8843 5.9466 6.0255 6.1064 6.2847 6.3308 6.5403 6.5857 6.8455 6.9257 7.0593 7.0850 7.3630 7.4096 7.8714 7.9091 8.0559 8.1361 8.5513 8.5771 8.7549 8.8396 10.5845 10.6203 10.9621 11.0443 11.3395 11.4015 11.6169 11.6335 12.2216 12.2457 12.3755 12.4036 k = 0.0000-0.2065 0.1239 ( 6746 PWs) bands (ev): -4.1695 -4.1680 -2.8949 -2.8859 -1.9219 -1.9081 -1.5182 -1.5080 -0.0153 0.0064 1.0461 1.0745 1.5797 1.5999 2.0781 2.1058 2.6219 2.6426 3.0176 3.0434 3.5262 3.5427 3.7234 3.7627 4.0320 4.0921 4.2316 4.3405 4.4551 4.5139 4.6154 4.6666 4.8300 4.8676 4.9504 4.9880 5.0985 5.1408 5.4075 5.4648 5.7238 5.7980 5.8576 5.9112 6.0214 6.0854 6.2557 6.3022 6.5388 6.5861 6.8534 6.9353 7.0923 7.1472 7.3098 7.3518 7.8514 7.8896 8.0411 8.1226 8.5138 8.5262 8.7070 8.7836 10.5525 10.5833 11.0020 11.0831 11.3729 11.4360 11.6575 11.6684 12.2388 12.2749 12.3761 12.4085 k = 0.0000-0.1936 0.1161 ( 6745 PWs) bands (ev): -4.2016 -4.2003 -2.8855 -2.8764 -1.9143 -1.9006 -1.4996 -1.4898 0.0307 0.0506 1.0562 1.0830 1.5966 1.6156 2.0864 2.1172 2.6247 2.6429 3.0359 3.0574 3.5248 3.5484 3.7177 3.7594 4.0263 4.0889 4.2011 4.3133 4.4600 4.5120 4.5958 4.6448 4.7970 4.8401 4.9701 4.9866 5.0815 5.1249 5.4053 5.4625 5.6854 5.7665 5.8483 5.8839 6.0234 6.0741 6.2315 6.2805 6.5377 6.5851 6.8549 6.9336 7.1255 7.2146 7.2592 7.3114 7.8270 7.8650 8.0274 8.1098 8.4696 8.4768 8.6644 8.7321 10.5182 10.5452 11.0353 11.1109 11.4253 11.4842 11.6976 11.7035 12.2351 12.2795 12.3885 12.4322 k = 0.0000-0.1807 0.1084 ( 6742 PWs) bands (ev): -4.2320 -4.2308 -2.8744 -2.8651 -1.9195 -1.9060 -1.4717 -1.4624 0.0778 0.0960 1.0651 1.0906 1.6154 1.6331 2.0902 2.1238 2.6259 2.6412 3.0646 3.0825 3.5235 3.5544 3.7127 3.7563 4.0185 4.0850 4.1691 4.2816 4.4552 4.5004 4.5825 4.6139 4.7628 4.7986 4.9713 5.0149 5.0699 5.1261 5.4031 5.4622 5.6404 5.7212 5.8337 5.8661 6.0265 6.0760 6.2145 6.2667 6.5364 6.5825 6.8480 6.9165 7.1387 7.2056 7.2850 7.3192 7.7986 7.8361 8.0160 8.0978 8.4144 8.4374 8.6271 8.6866 10.4822 10.5063 11.0565 11.1220 11.4991 11.5472 11.7362 11.7395 12.2220 12.2707 12.3981 12.4522 k = 0.0000-0.1677 0.1006 ( 6734 PWs) bands (ev): -4.2605 -4.2594 -2.8614 -2.8520 -1.9355 -1.9224 -1.4363 -1.4274 0.1255 0.1420 1.0716 1.0961 1.6365 1.6530 2.0897 2.1258 2.6248 2.6374 3.1032 3.1190 3.5224 3.5606 3.7089 3.7535 4.0082 4.0794 4.1365 4.2459 4.4299 4.4889 4.5586 4.5917 4.7371 4.7631 4.9622 5.0228 5.0830 5.1407 5.3992 5.4612 5.5957 5.6754 5.8061 5.8488 6.0328 6.0850 6.2065 6.2616 6.5340 6.5786 6.8279 6.8822 7.1262 7.1716 7.3414 7.3786 7.7682 7.8060 8.0066 8.0861 8.3600 8.4002 8.5944 8.6480 10.4453 10.4671 11.0644 11.1185 11.5889 11.6214 11.7721 11.7790 12.2075 12.2594 12.4004 12.4559 k = 0.0000-0.1548 0.0929 ( 6734 PWs) bands (ev): -4.2872 -4.2861 -2.8466 -2.8371 -1.9598 -1.9472 -1.3957 -1.3873 0.1733 0.1882 1.0750 1.0987 1.6602 1.6759 2.0858 2.1239 2.6215 2.6321 3.1501 3.1661 3.5218 3.5666 3.7066 3.7509 3.9945 4.0684 4.1068 4.2073 4.3896 4.4695 4.5223 4.5903 4.7182 4.7415 4.9446 5.0103 5.1135 5.1628 5.3924 5.4563 5.5555 5.6348 5.7735 5.8225 6.0430 6.0934 6.2076 6.2649 6.5288 6.5734 6.7903 6.8362 7.1039 7.1627 7.3973 7.4489 7.7403 7.7804 7.9981 8.0741 8.3092 8.3660 8.5661 8.6159 10.4080 10.4280 11.0611 11.1048 11.6841 11.6986 11.8093 11.8242 12.1952 12.2500 12.3996 12.4523 k = 0.0000-0.1419 0.0851 ( 6732 PWs) bands (ev): -4.3118 -4.3109 -2.8300 -2.8205 -1.9901 -1.9779 -1.3523 -1.3442 0.2207 0.2341 1.0748 1.0977 1.6864 1.7016 2.0796 2.1195 2.6161 2.6255 3.2030 3.2219 3.5220 3.5721 3.7062 3.7487 3.9758 4.0446 4.0876 4.1679 4.3465 4.4251 4.5081 4.5923 4.7047 4.7308 4.9228 4.9931 5.1398 5.1891 5.3825 5.4450 5.5218 5.6032 5.7390 5.7884 6.0535 6.0992 6.2161 6.2738 6.5172 6.5666 6.7394 6.7883 7.0893 7.1670 7.4454 7.5094 7.7240 7.7674 7.9886 8.0611 8.2648 8.3359 8.5423 8.5896 10.3707 10.3891 11.0496 11.0848 11.7568 11.7783 11.8554 11.8818 12.1877 12.2448 12.3988 12.4482 k = 0.0000-0.1290 0.0774 ( 6730 PWs) bands (ev): -4.3345 -4.3337 -2.8117 -2.8022 -2.0245 -2.0125 -1.3077 -1.3001 0.2672 0.2792 1.0709 1.0929 1.7142 1.7298 2.0727 2.1140 2.6090 2.6181 3.2589 3.2832 3.5230 3.5770 3.7081 3.7472 3.9501 4.0115 4.0756 4.1313 4.3072 4.3748 4.5039 4.5940 4.6972 4.7245 4.9000 4.9743 5.1548 5.2166 5.3705 5.4277 5.4941 5.5816 5.7040 5.7498 6.0615 6.1031 6.2277 6.2822 6.4965 6.5547 6.6901 6.7484 7.0835 7.1766 7.4737 7.5434 7.7336 7.7759 7.9761 8.0477 8.2294 8.3107 8.5236 8.5682 10.3339 10.3509 11.0326 11.0612 11.8022 11.8372 11.9238 11.9495 12.1891 12.2477 12.3987 12.4459 k = 0.0000-0.1161 0.0697 ( 6729 PWs) bands (ev): -4.3551 -4.3544 -2.7919 -2.7823 -2.0614 -2.0497 -1.2635 -1.2562 0.3121 0.3228 1.0637 1.0846 1.7425 1.7591 2.0669 2.1094 2.6006 2.6100 3.3138 3.3459 3.5252 3.5809 3.7118 3.7474 3.9172 3.9776 4.0618 4.1025 4.2754 4.3313 4.5014 4.5943 4.6946 4.7188 4.8787 4.9548 5.1577 5.2402 5.3586 5.4064 5.4723 5.5663 5.6700 5.7103 6.0660 6.1065 6.2363 6.2820 6.4700 6.5293 6.6611 6.7244 7.0818 7.1872 7.4793 7.5469 7.7698 7.8066 7.9594 8.0358 8.2063 8.2911 8.5105 8.5511 10.2981 10.3138 11.0125 11.0359 11.8354 11.8744 11.9939 12.0088 12.2075 12.2655 12.3988 12.4463 k = 0.0000-0.1032 0.0619 ( 6723 PWs) bands (ev): -4.3737 -4.3730 -2.7706 -2.7611 -2.0996 -2.0883 -1.2208 -1.2140 0.3549 0.3644 1.0539 1.0732 1.7693 1.7874 2.0644 2.1077 2.5913 2.6011 3.3627 3.4038 3.5286 3.5839 3.7161 3.7516 3.8813 3.9478 4.0419 4.0852 4.2529 4.2993 4.4986 4.5927 4.6939 4.7134 4.8605 4.9355 5.1496 5.2531 5.3473 5.3841 5.4572 5.5519 5.6382 5.6751 6.0654 6.1101 6.2295 6.2725 6.4458 6.4955 6.6572 6.7185 7.0798 7.1953 7.4713 7.5369 7.8080 7.8464 7.9414 8.0302 8.1978 8.2773 8.5035 8.5382 10.2638 10.2782 10.9910 11.0104 11.8628 11.9039 12.0349 12.0456 12.2485 12.3037 12.3991 12.4513 k = 0.0000-0.0903 0.0542 ( 6717 PWs) bands (ev): -4.3901 -4.3895 -2.7481 -2.7388 -2.1383 -2.1274 -1.1805 -1.1742 0.3950 0.4033 1.0423 1.0596 1.7927 1.8121 2.0676 2.1109 2.5812 2.5915 3.4005 3.4481 3.5330 3.5853 3.7202 3.7616 3.8501 3.9259 4.0192 4.0774 4.2397 4.2816 4.4950 4.5882 4.6900 4.7123 4.8460 4.9170 5.1327 5.2472 5.3332 5.3686 5.4455 5.5350 5.6098 5.6513 6.0576 6.1127 6.1964 6.2648 6.4242 6.4733 6.6682 6.7283 7.0745 7.1975 7.4610 7.5263 7.8274 7.8684 7.9385 8.0367 8.2040 8.2695 8.5031 8.5299 10.2316 10.2446 10.9695 10.9856 11.8870 11.9291 12.0473 12.0597 12.2945 12.3482 12.4077 12.4647 k = 0.0000-0.0774 0.0464 ( 6711 PWs) bands (ev): -4.4044 -4.4039 -2.7248 -2.7157 -2.1764 -2.1659 -1.1435 -1.1378 0.4317 0.4389 1.0299 1.0449 1.8107 1.8306 2.0786 2.1203 2.5704 2.5811 3.4241 3.4710 3.5372 3.5833 3.7243 3.7757 3.8330 3.9144 4.0004 4.0759 4.2354 4.2803 4.4902 4.5804 4.6810 4.7179 4.8346 4.8996 5.1080 5.2187 5.3137 5.3650 5.4281 5.5191 5.5886 5.6420 6.0406 6.1041 6.1609 6.2560 6.4066 6.4655 6.6872 6.7501 7.0640 7.1912 7.4558 7.5203 7.8225 7.8552 7.9618 8.0541 8.2215 8.2687 8.5097 8.5275 10.2021 10.2137 10.9490 10.9624 11.9086 11.9500 12.0473 12.0577 12.3201 12.3638 12.4442 12.4876 k = 0.0000-0.0645 0.0387 ( 6710 PWs) bands (ev): -4.4165 -4.4161 -2.7011 -2.6924 -2.2129 -2.2031 -1.1105 -1.1055 0.4643 0.4705 1.0175 1.0300 1.8229 1.8417 2.0977 2.1358 2.5592 2.5700 3.4337 3.4725 3.5388 3.5762 3.7271 3.7874 3.8353 3.9099 3.9939 4.0791 4.2414 4.2965 4.4842 4.5698 4.6703 4.7274 4.8253 4.8834 5.0750 5.1715 5.2941 5.3674 5.3997 5.5054 5.5817 5.6435 6.0146 6.0668 6.1534 6.2459 6.3982 6.4620 6.7117 6.7800 7.0481 7.1752 7.4588 7.5202 7.8014 7.8305 7.9871 8.0723 8.2427 8.2760 8.5218 8.5327 10.1759 10.1859 10.9303 10.9414 11.9274 11.9652 12.0431 12.0479 12.3229 12.3607 12.4818 12.5085 k = 0.0000-0.0516 0.0310 ( 6701 PWs) bands (ev): -4.4264 -4.4261 -2.6777 -2.6697 -2.2468 -2.2379 -1.0823 -1.0782 0.4923 0.4973 1.0062 1.0160 1.8300 1.8462 2.1227 2.1556 2.5478 2.5583 3.4321 3.4598 3.5381 3.5668 3.7300 3.7906 3.8494 3.9043 4.0061 4.0845 4.2599 4.3304 4.4775 4.5585 4.6582 4.7389 4.8168 4.8687 5.0318 5.1131 5.2778 5.3669 5.3727 5.4886 5.5913 5.6512 5.9831 6.0202 6.1601 6.2367 6.3974 6.4581 6.7403 6.8142 7.0276 7.1508 7.4693 7.5252 7.7743 7.8034 8.0074 8.0832 8.2610 8.2892 8.5370 8.5470 10.1536 10.1619 10.9142 10.9230 11.9423 11.9732 12.0333 12.0411 12.3153 12.3525 12.4989 12.5162 k = 0.0000-0.0387 0.0232 ( 6706 PWs) bands (ev): -4.4341 -4.4339 -2.6558 -2.6489 -2.2765 -2.2689 -1.0595 -1.0563 0.5150 0.5188 0.9966 1.0039 1.8336 1.8463 2.1499 2.1763 2.5370 2.5464 3.4234 3.4409 3.5370 3.5582 3.7352 3.7879 3.8615 3.8967 4.0302 4.0890 4.2923 4.3782 4.4711 4.5510 4.6435 4.7506 4.8085 4.8552 4.9791 5.0511 5.2674 5.3370 5.3796 5.4693 5.6104 5.6613 5.9512 5.9778 6.1702 6.2285 6.4014 6.4525 6.7714 6.8487 7.0055 7.1203 7.4851 7.5330 7.7481 7.7763 8.0239 8.0856 8.2757 8.3014 8.5547 8.5657 10.1358 10.1422 10.9011 10.9078 11.9514 11.9735 12.0228 12.0391 12.3072 12.3421 12.4999 12.5123 k = 0.0000-0.0258 0.0155 ( 6703 PWs) bands (ev): -4.4397 -4.4395 -2.6371 -2.6318 -2.3001 -2.2944 -1.0427 -1.0405 0.5318 0.5344 0.9896 0.9943 1.8355 1.8441 2.1752 2.1938 2.5281 2.5355 3.4127 3.4227 3.5369 3.5513 3.7428 3.7813 3.8689 3.8897 4.0541 4.0909 4.3356 4.4245 4.4694 4.5529 4.6273 4.7573 4.8003 4.8402 4.9275 4.9938 5.2640 5.3118 5.3889 5.4498 5.6325 5.6700 5.9244 5.9429 6.1811 6.2205 6.4085 6.4451 6.8039 6.8764 6.9885 7.0861 7.5034 7.5399 7.7274 7.7512 8.0381 8.0816 8.2880 8.3079 8.5731 8.5825 10.1230 10.1274 10.8916 10.8962 11.9541 11.9680 12.0196 12.0374 12.3034 12.3311 12.4950 12.5038 k = 0.0000-0.0129 0.0077 ( 6708 PWs) bands (ev): -4.4430 -4.4429 -2.6236 -2.6207 -2.3150 -2.3119 -1.0321 -1.0310 0.5424 0.5437 0.9856 0.9879 1.8369 1.8412 2.1946 2.2043 2.5227 2.5268 3.4050 3.4094 3.5385 3.5458 3.7520 3.7723 3.8740 3.8839 4.0718 4.0891 4.3807 4.4336 4.4917 4.5519 4.6342 4.7393 4.7972 4.8190 4.9040 4.9470 5.2675 5.2919 5.4008 5.4315 5.6528 5.6731 5.9078 5.9179 6.1920 6.2119 6.4174 6.4364 6.8360 6.8827 6.9909 7.0503 7.5212 7.5416 7.7164 7.7306 8.0511 8.0735 8.2979 8.3087 8.5877 8.5931 10.1157 10.1179 10.8862 10.8885 11.9539 11.9606 12.0231 12.0340 12.3051 12.3205 12.4911 12.4958 k = 0.0000 0.0000 0.0000 ( 6705 PWs) bands (ev): -4.4440 -4.4440 -2.6178 -2.6178 -2.3192 -2.3192 -1.0282 -1.0282 0.5464 0.5464 0.9850 0.9850 1.8387 1.8387 2.2048 2.2048 2.5222 2.5222 3.4034 3.4034 3.5415 3.5415 3.7622 3.7622 3.8788 3.8788 4.0831 4.0831 4.4152 4.4152 4.5245 4.5245 4.6856 4.6856 4.8040 4.8040 4.9150 4.9150 5.2770 5.2770 5.4150 5.4150 5.6674 5.6674 5.9055 5.9055 6.2024 6.2024 6.4269 6.4269 6.8647 6.8647 7.0160 7.0160 7.5351 7.5351 7.7178 7.7178 8.0630 8.0630 8.3050 8.3050 8.5950 8.5950 10.1139 10.1139 10.8851 10.8851 11.9554 11.9554 12.0288 12.0288 12.3113 12.3113 12.4912 12.4912 Writing output data file Si3P2Pt.save init_run : 5.05s CPU 11.66s WALL ( 1 calls) electrons : 1987.74s CPU 2005.79s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.70s CPU 1.78s WALL ( 1 calls) Called by electrons: c_bands : 1987.61s CPU 2005.31s WALL ( 1 calls) v_of_rho : 0.27s CPU 0.99s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.25s CPU 0.62s WALL ( 1 calls) newd : 1.62s CPU 2.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.16s CPU 0.29s WALL ( 261 calls) cegterg : 1884.13s CPU 1897.91s WALL ( 656 calls) Called by sum_band: Called by *egterg: h_psi : 815.20s CPU 826.42s WALL ( 11904 calls) s_psi : 175.62s CPU 175.81s WALL ( 11904 calls) g_psi : 1.63s CPU 1.76s WALL ( 10987 calls) cdiaghg : 671.35s CPU 669.39s WALL ( 11248 calls) cegterg:over : 144.49s CPU 142.30s WALL ( 10987 calls) cegterg:upda : 46.08s CPU 48.80s WALL ( 10987 calls) cegterg:last : 36.57s CPU 37.29s WALL ( 2096 calls) Called by h_psi: h_psi:vloc : 501.58s CPU 508.65s WALL ( 11904 calls) h_psi:vnl : 312.73s CPU 316.11s WALL ( 11904 calls) add_vuspsi : 130.71s CPU 136.41s WALL ( 11904 calls) General routines calbec : 181.96s CPU 179.58s WALL ( 11904 calls) fft : 0.95s CPU 1.96s WALL ( 19 calls) ffts : 0.00s CPU 0.02s WALL ( 4 calls) fftw : 457.99s CPU 461.08s WALL ( 1906616 calls) interpolate : 0.11s CPU 0.13s WALL ( 4 calls) davcio : 0.03s CPU 2.05s WALL ( 522 calls) Parallel routines fft_scatter : 292.42s CPU 287.39s WALL ( 1906639 calls) PWSCF : 34m27.73s CPU 36m56.84s WALL This run was terminated on: 8:50:58 5Dec2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=