Program PWSCF v.5.1.1 starts on 28Oct2015 at 17:45:36 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: ./InCuSe2.save/ file In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D renormalized file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D 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 46 36 10 1674 1137 171 Max 47 37 11 1681 1159 176 Sum 2241 1749 489 80495 55049 8265 bravais-lattice index = 14 lattice parameter (alat) = 10.9113 a.u. unit-cell volume = 1307.0075 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 72.00 number of Kohn-Sham states= 86 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 237.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.911278 celldm(2)= 1.000000 celldm(3)= 1.228784 celldm(4)= -0.405939 celldm(5)= -0.405939 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( -0.498812 -0.498812 1.006123 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 0.495776 ) b(2) = ( 0.000000 1.000000 0.495776 ) b(3) = ( 0.000000 0.000000 0.993914 ) PseudoPot. # 1 for In read from file: /home/autes/Pseudo/In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 52ff8a85f9af3f41268f91f861ab85bf Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1241 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Se read from file: /home/autes/Pseudo/Se_MT_PBE.UPF MD5 check sum: 8b5aa0a73ac3f20b8f2ba32420215307 Pseudo is Norm-conserving, Zval = 6.0 Generated using "atomic" code by A. Dal Corso (espresso distribution) Using radial grid of 1211 points, 3 beta functions with: l(1) = 0 l(2) = 1 l(3) = 1 PseudoPot. # 3 for Cu read from file: /home/autes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential In 13.00 114.81800 In( 1.00) Se 6.00 78.96000 Se( 1.00) Cu 11.00 63.54600 Cu( 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= 237 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 -0.5000000 -0.2478880), wk = 0.0042194 k( 2) = ( 0.0000000 -0.4838710 -0.2398916), wk = 0.0042194 k( 3) = ( 0.0000000 -0.4677419 -0.2318952), wk = 0.0042194 k( 4) = ( 0.0000000 -0.4516129 -0.2238988), wk = 0.0042194 k( 5) = ( 0.0000000 -0.4354839 -0.2159024), wk = 0.0042194 k( 6) = ( 0.0000000 -0.4193548 -0.2079060), wk = 0.0042194 k( 7) = ( 0.0000000 -0.4032258 -0.1999097), wk = 0.0042194 k( 8) = ( 0.0000000 -0.3870968 -0.1919133), wk = 0.0042194 k( 9) = ( 0.0000000 -0.3709677 -0.1839169), wk = 0.0042194 k( 10) = ( 0.0000000 -0.3548387 -0.1759205), wk = 0.0042194 k( 11) = ( 0.0000000 -0.3387097 -0.1679241), wk = 0.0042194 k( 12) = ( 0.0000000 -0.3225807 -0.1599277), wk = 0.0042194 k( 13) = ( 0.0000000 -0.3064516 -0.1519313), wk = 0.0042194 k( 14) = ( 0.0000000 -0.2903226 -0.1439349), wk = 0.0042194 k( 15) = ( 0.0000000 -0.2741936 -0.1359386), wk = 0.0042194 k( 16) = ( 0.0000000 -0.2580645 -0.1279422), wk = 0.0042194 k( 17) = ( 0.0000000 -0.2419355 -0.1199458), wk = 0.0042194 k( 18) = ( 0.0000000 -0.2258064 -0.1119494), wk = 0.0042194 k( 19) = ( 0.0000000 -0.2096774 -0.1039530), wk = 0.0042194 k( 20) = ( 0.0000000 -0.1935484 -0.0959566), wk = 0.0042194 k( 21) = ( 0.0000000 -0.1774194 -0.0879602), wk = 0.0042194 k( 22) = ( 0.0000000 -0.1612903 -0.0799639), wk = 0.0042194 k( 23) = ( 0.0000000 -0.1451613 -0.0719675), wk = 0.0042194 k( 24) = ( 0.0000000 -0.1290323 -0.0639711), wk = 0.0042194 k( 25) = ( 0.0000000 -0.1129032 -0.0559747), wk = 0.0042194 k( 26) = ( 0.0000000 -0.0967742 -0.0479783), wk = 0.0042194 k( 27) = ( 0.0000000 -0.0806452 -0.0399819), wk = 0.0042194 k( 28) = ( 0.0000000 -0.0645161 -0.0319855), wk = 0.0042194 k( 29) = ( 0.0000000 -0.0483871 -0.0239892), wk = 0.0042194 k( 30) = ( 0.0000000 -0.0322581 -0.0159928), wk = 0.0042194 k( 31) = ( 0.0000000 -0.0161290 -0.0079964), wk = 0.0042194 k( 32) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042194 k( 33) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042194 k( 34) = ( 0.0161290 -0.0000000 0.0079964), wk = 0.0042194 k( 35) = ( 0.0322581 -0.0000000 0.0159928), wk = 0.0042194 k( 36) = ( 0.0483871 -0.0000000 0.0239892), wk = 0.0042194 k( 37) = ( 0.0645161 -0.0000000 0.0319855), wk = 0.0042194 k( 38) = ( 0.0806452 -0.0000000 0.0399819), wk = 0.0042194 k( 39) = ( 0.0967742 -0.0000000 0.0479783), wk = 0.0042194 k( 40) = ( 0.1129032 -0.0000000 0.0559747), wk = 0.0042194 k( 41) = ( 0.1290323 -0.0000000 0.0639711), wk = 0.0042194 k( 42) = ( 0.1451613 -0.0000000 0.0719675), wk = 0.0042194 k( 43) = ( 0.1612903 -0.0000000 0.0799639), wk = 0.0042194 k( 44) = ( 0.1774194 -0.0000000 0.0879602), wk = 0.0042194 k( 45) = ( 0.1935484 -0.0000000 0.0959566), wk = 0.0042194 k( 46) = ( 0.2096774 -0.0000000 0.1039530), wk = 0.0042194 k( 47) = ( 0.2258064 -0.0000000 0.1119494), wk = 0.0042194 k( 48) = ( 0.2419355 -0.0000000 0.1199458), wk = 0.0042194 k( 49) = ( 0.2580645 -0.0000000 0.1279422), wk = 0.0042194 k( 50) = ( 0.2741936 -0.0000000 0.1359386), wk = 0.0042194 k( 51) = ( 0.2903226 -0.0000000 0.1439349), wk = 0.0042194 k( 52) = ( 0.3064516 -0.0000000 0.1519313), wk = 0.0042194 k( 53) = ( 0.3225807 -0.0000000 0.1599277), wk = 0.0042194 k( 54) = ( 0.3387097 -0.0000000 0.1679241), wk = 0.0042194 k( 55) = ( 0.3548387 -0.0000000 0.1759205), wk = 0.0042194 k( 56) = ( 0.3709677 -0.0000000 0.1839169), wk = 0.0042194 k( 57) = ( 0.3870968 -0.0000000 0.1919133), wk = 0.0042194 k( 58) = ( 0.4032258 -0.0000000 0.1999097), wk = 0.0042194 k( 59) = ( 0.4193548 -0.0000000 0.2079060), wk = 0.0042194 k( 60) = ( 0.4354839 -0.0000000 0.2159024), wk = 0.0042194 k( 61) = ( 0.4516129 -0.0000000 0.2238988), wk = 0.0042194 k( 62) = ( 0.4677419 -0.0000000 0.2318952), wk = 0.0042194 k( 63) = ( 0.4838710 -0.0000000 0.2398916), wk = 0.0042194 k( 64) = ( 0.5000000 -0.0000000 0.2478880), wk = 0.0042194 k( 65) = ( 0.5000000 -0.5000000 0.0000000), wk = 0.0042194 k( 66) = ( 0.4871795 -0.4871795 0.0000000), wk = 0.0042194 k( 67) = ( 0.4743590 -0.4743590 0.0000000), wk = 0.0042194 k( 68) = ( 0.4615385 -0.4615385 0.0000000), wk = 0.0042194 k( 69) = ( 0.4487179 -0.4487180 0.0000000), wk = 0.0042194 k( 70) = ( 0.4358974 -0.4358974 0.0000000), wk = 0.0042194 k( 71) = ( 0.4230769 -0.4230769 0.0000000), wk = 0.0042194 k( 72) = ( 0.4102564 -0.4102564 0.0000000), wk = 0.0042194 k( 73) = ( 0.3974359 -0.3974359 0.0000000), wk = 0.0042194 k( 74) = ( 0.3846154 -0.3846154 0.0000000), wk = 0.0042194 k( 75) = ( 0.3717949 -0.3717949 0.0000000), wk = 0.0042194 k( 76) = ( 0.3589744 -0.3589744 0.0000000), wk = 0.0042194 k( 77) = ( 0.3461538 -0.3461539 0.0000000), wk = 0.0042194 k( 78) = ( 0.3333333 -0.3333333 0.0000000), wk = 0.0042194 k( 79) = ( 0.3205128 -0.3205128 0.0000000), wk = 0.0042194 k( 80) = ( 0.3076923 -0.3076923 0.0000000), wk = 0.0042194 k( 81) = ( 0.2948718 -0.2948718 0.0000000), wk = 0.0042194 k( 82) = ( 0.2820513 -0.2820513 0.0000000), wk = 0.0042194 k( 83) = ( 0.2692308 -0.2692308 0.0000000), wk = 0.0042194 k( 84) = ( 0.2564103 -0.2564103 0.0000000), wk = 0.0042194 k( 85) = ( 0.2435897 -0.2435897 0.0000000), wk = 0.0042194 k( 86) = ( 0.2307692 -0.2307692 0.0000000), wk = 0.0042194 k( 87) = ( 0.2179487 -0.2179487 0.0000000), wk = 0.0042194 k( 88) = ( 0.2051282 -0.2051282 0.0000000), wk = 0.0042194 k( 89) = ( 0.1923077 -0.1923077 0.0000000), wk = 0.0042194 k( 90) = ( 0.1794872 -0.1794872 0.0000000), wk = 0.0042194 k( 91) = ( 0.1666667 -0.1666667 0.0000000), wk = 0.0042194 k( 92) = ( 0.1538461 -0.1538462 0.0000000), wk = 0.0042194 k( 93) = ( 0.1410256 -0.1410256 0.0000000), wk = 0.0042194 k( 94) = ( 0.1282051 -0.1282051 0.0000000), wk = 0.0042194 k( 95) = ( 0.1153846 -0.1153846 0.0000000), wk = 0.0042194 k( 96) = ( 0.1025641 -0.1025641 0.0000000), wk = 0.0042194 k( 97) = ( 0.0897436 -0.0897436 0.0000000), wk = 0.0042194 k( 98) = ( 0.0769231 -0.0769231 0.0000000), wk = 0.0042194 k( 99) = ( 0.0641026 -0.0641026 0.0000000), wk = 0.0042194 k( 100) = ( 0.0512821 -0.0512821 0.0000000), wk = 0.0042194 k( 101) = ( 0.0384615 -0.0384615 0.0000000), wk = 0.0042194 k( 102) = ( 0.0256410 -0.0256410 0.0000000), wk = 0.0042194 k( 103) = ( 0.0128205 -0.0128205 0.0000000), wk = 0.0042194 k( 104) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042194 k( 105) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042194 k( 106) = ( -0.0161290 0.0000000 0.0080345), wk = 0.0042194 k( 107) = ( -0.0322581 0.0000000 0.0160690), wk = 0.0042194 k( 108) = ( -0.0483871 0.0000000 0.0241035), wk = 0.0042194 k( 109) = ( -0.0645161 0.0000000 0.0321379), wk = 0.0042194 k( 110) = ( -0.0806452 0.0000000 0.0401724), wk = 0.0042194 k( 111) = ( -0.0967742 0.0000000 0.0482069), wk = 0.0042194 k( 112) = ( -0.1129032 0.0000000 0.0562414), wk = 0.0042194 k( 113) = ( -0.1290323 0.0000000 0.0642759), wk = 0.0042194 k( 114) = ( -0.1451613 0.0000000 0.0723103), wk = 0.0042194 k( 115) = ( -0.1612903 0.0000000 0.0803448), wk = 0.0042194 k( 116) = ( -0.1774194 0.0000000 0.0883793), wk = 0.0042194 k( 117) = ( -0.1935484 0.0000000 0.0964138), wk = 0.0042194 k( 118) = ( -0.2096774 0.0000000 0.1044483), wk = 0.0042194 k( 119) = ( -0.2258064 0.0000000 0.1124828), wk = 0.0042194 k( 120) = ( -0.2419355 0.0000000 0.1205172), wk = 0.0042194 k( 121) = ( -0.2580645 0.0000000 0.1285517), wk = 0.0042194 k( 122) = ( -0.2741936 0.0000000 0.1365862), wk = 0.0042194 k( 123) = ( -0.2903226 0.0000000 0.1446207), wk = 0.0042194 k( 124) = ( -0.3064516 0.0000000 0.1526552), wk = 0.0042194 k( 125) = ( -0.3225807 0.0000000 0.1606897), wk = 0.0042194 k( 126) = ( -0.3387097 0.0000000 0.1687241), wk = 0.0042194 k( 127) = ( -0.3548387 0.0000000 0.1767586), wk = 0.0042194 k( 128) = ( -0.3709677 0.0000000 0.1847931), wk = 0.0042194 k( 129) = ( -0.3870968 0.0000000 0.1928276), wk = 0.0042194 k( 130) = ( -0.4032258 0.0000000 0.2008621), wk = 0.0042194 k( 131) = ( -0.4193548 0.0000000 0.2088966), wk = 0.0042194 k( 132) = ( -0.4354839 0.0000000 0.2169310), wk = 0.0042194 k( 133) = ( -0.4516129 0.0000000 0.2249655), wk = 0.0042194 k( 134) = ( -0.4677419 0.0000000 0.2330000), wk = 0.0042194 k( 135) = ( -0.4838710 0.0000000 0.2410345), wk = 0.0042194 k( 136) = ( -0.5000000 0.0000000 0.2490690), wk = 0.0042194 k( 137) = ( -0.5000000 -0.5000000 0.0011810), wk = 0.0042194 k( 138) = ( -0.4871795 -0.4871795 0.0011507), wk = 0.0042194 k( 139) = ( -0.4743590 -0.4743590 0.0011204), wk = 0.0042194 k( 140) = ( -0.4615385 -0.4615385 0.0010902), wk = 0.0042194 k( 141) = ( -0.4487179 -0.4487179 0.0010599), wk = 0.0042194 k( 142) = ( -0.4358974 -0.4358974 0.0010296), wk = 0.0042194 k( 143) = ( -0.4230769 -0.4230769 0.0009993), wk = 0.0042194 k( 144) = ( -0.4102564 -0.4102564 0.0009690), wk = 0.0042194 k( 145) = ( -0.3974359 -0.3974359 0.0009387), wk = 0.0042194 k( 146) = ( -0.3846154 -0.3846154 0.0009085), wk = 0.0042194 k( 147) = ( -0.3717949 -0.3717949 0.0008782), wk = 0.0042194 k( 148) = ( -0.3589744 -0.3589744 0.0008479), wk = 0.0042194 k( 149) = ( -0.3461538 -0.3461538 0.0008176), wk = 0.0042194 k( 150) = ( -0.3333333 -0.3333333 0.0007873), wk = 0.0042194 k( 151) = ( -0.3205128 -0.3205128 0.0007571), wk = 0.0042194 k( 152) = ( -0.3076923 -0.3076923 0.0007268), wk = 0.0042194 k( 153) = ( -0.2948718 -0.2948718 0.0006965), wk = 0.0042194 k( 154) = ( -0.2820513 -0.2820513 0.0006662), wk = 0.0042194 k( 155) = ( -0.2692308 -0.2692308 0.0006359), wk = 0.0042194 k( 156) = ( -0.2564103 -0.2564103 0.0006056), wk = 0.0042194 k( 157) = ( -0.2435897 -0.2435897 0.0005754), wk = 0.0042194 k( 158) = ( -0.2307692 -0.2307692 0.0005451), wk = 0.0042194 k( 159) = ( -0.2179487 -0.2179487 0.0005148), wk = 0.0042194 k( 160) = ( -0.2051282 -0.2051282 0.0004845), wk = 0.0042194 k( 161) = ( -0.1923077 -0.1923077 0.0004542), wk = 0.0042194 k( 162) = ( -0.1794872 -0.1794872 0.0004240), wk = 0.0042194 k( 163) = ( -0.1666667 -0.1666667 0.0003937), wk = 0.0042194 k( 164) = ( -0.1538461 -0.1538461 0.0003634), wk = 0.0042194 k( 165) = ( -0.1410256 -0.1410256 0.0003331), wk = 0.0042194 k( 166) = ( -0.1282051 -0.1282051 0.0003028), wk = 0.0042194 k( 167) = ( -0.1153846 -0.1153846 0.0002725), wk = 0.0042194 k( 168) = ( -0.1025641 -0.1025641 0.0002423), wk = 0.0042194 k( 169) = ( -0.0897436 -0.0897436 0.0002120), wk = 0.0042194 k( 170) = ( -0.0769231 -0.0769231 0.0001817), wk = 0.0042194 k( 171) = ( -0.0641026 -0.0641026 0.0001514), wk = 0.0042194 k( 172) = ( -0.0512821 -0.0512820 0.0001211), wk = 0.0042194 k( 173) = ( -0.0384615 -0.0384615 0.0000908), wk = 0.0042194 k( 174) = ( -0.0256410 -0.0256410 0.0000606), wk = 0.0042194 k( 175) = ( -0.0128205 -0.0128205 0.0000303), wk = 0.0042194 k( 176) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042194 k( 177) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042194 k( 178) = ( 0.0000000 0.0000000 0.0177485), wk = 0.0042194 k( 179) = ( 0.0000000 0.0000000 0.0354969), wk = 0.0042194 k( 180) = ( 0.0000000 0.0000000 0.0532454), wk = 0.0042194 k( 181) = ( 0.0000000 0.0000000 0.0709938), wk = 0.0042194 k( 182) = ( 0.0000000 0.0000000 0.0887423), wk = 0.0042194 k( 183) = ( 0.0000000 0.0000000 0.1064908), wk = 0.0042194 k( 184) = ( 0.0000000 0.0000000 0.1242392), wk = 0.0042194 k( 185) = ( 0.0000000 0.0000000 0.1419877), wk = 0.0042194 k( 186) = ( 0.0000000 0.0000000 0.1597362), wk = 0.0042194 k( 187) = ( 0.0000000 0.0000000 0.1774846), wk = 0.0042194 k( 188) = ( 0.0000000 0.0000000 0.1952331), wk = 0.0042194 k( 189) = ( 0.0000000 0.0000000 0.2129815), wk = 0.0042194 k( 190) = ( 0.0000000 0.0000000 0.2307300), wk = 0.0042194 k( 191) = ( 0.0000000 0.0000000 0.2484785), wk = 0.0042194 k( 192) = ( 0.0000000 0.0000000 0.2662269), wk = 0.0042194 k( 193) = ( 0.0000000 0.0000000 0.2839754), wk = 0.0042194 k( 194) = ( 0.0000000 0.0000000 0.3017239), wk = 0.0042194 k( 195) = ( 0.0000000 0.0000000 0.3194723), wk = 0.0042194 k( 196) = ( 0.0000000 0.0000000 0.3372208), wk = 0.0042194 k( 197) = ( 0.0000000 0.0000000 0.3549692), wk = 0.0042194 k( 198) = ( 0.0000000 0.0000000 0.3727177), wk = 0.0042194 k( 199) = ( 0.0000000 0.0000000 0.3904662), wk = 0.0042194 k( 200) = ( 0.0000000 0.0000000 0.4082146), wk = 0.0042194 k( 201) = ( 0.0000000 0.0000000 0.4259631), wk = 0.0042194 k( 202) = ( 0.0000000 0.0000000 0.4437116), wk = 0.0042194 k( 203) = ( 0.0000000 0.0000000 0.4614600), wk = 0.0042194 k( 204) = ( 0.0000000 0.0000000 0.4792085), wk = 0.0042194 k( 205) = ( 0.0000000 0.0000000 0.4969569), wk = 0.0042194 k( 206) = ( 0.0000000 -0.5000000 0.2490690), wk = 0.0042194 k( 207) = ( 0.0000000 -0.4838710 0.2410345), wk = 0.0042194 k( 208) = ( 0.0000000 -0.4677419 0.2330000), wk = 0.0042194 k( 209) = ( 0.0000000 -0.4516129 0.2249655), wk = 0.0042194 k( 210) = ( 0.0000000 -0.4354839 0.2169310), wk = 0.0042194 k( 211) = ( 0.0000000 -0.4193548 0.2088966), wk = 0.0042194 k( 212) = ( 0.0000000 -0.4032258 0.2008621), wk = 0.0042194 k( 213) = ( 0.0000000 -0.3870968 0.1928276), wk = 0.0042194 k( 214) = ( 0.0000000 -0.3709677 0.1847931), wk = 0.0042194 k( 215) = ( 0.0000000 -0.3548387 0.1767586), wk = 0.0042194 k( 216) = ( 0.0000000 -0.3387097 0.1687241), wk = 0.0042194 k( 217) = ( 0.0000000 -0.3225807 0.1606897), wk = 0.0042194 k( 218) = ( 0.0000000 -0.3064516 0.1526552), wk = 0.0042194 k( 219) = ( 0.0000000 -0.2903226 0.1446207), wk = 0.0042194 k( 220) = ( 0.0000000 -0.2741936 0.1365862), wk = 0.0042194 k( 221) = ( 0.0000000 -0.2580645 0.1285517), wk = 0.0042194 k( 222) = ( 0.0000000 -0.2419355 0.1205172), wk = 0.0042194 k( 223) = ( 0.0000000 -0.2258064 0.1124828), wk = 0.0042194 k( 224) = ( 0.0000000 -0.2096774 0.1044483), wk = 0.0042194 k( 225) = ( 0.0000000 -0.1935484 0.0964138), wk = 0.0042194 k( 226) = ( 0.0000000 -0.1774194 0.0883793), wk = 0.0042194 k( 227) = ( 0.0000000 -0.1612903 0.0803448), wk = 0.0042194 k( 228) = ( 0.0000000 -0.1451613 0.0723103), wk = 0.0042194 k( 229) = ( 0.0000000 -0.1290323 0.0642759), wk = 0.0042194 k( 230) = ( 0.0000000 -0.1129032 0.0562414), wk = 0.0042194 k( 231) = ( 0.0000000 -0.0967742 0.0482069), wk = 0.0042194 k( 232) = ( 0.0000000 -0.0806452 0.0401724), wk = 0.0042194 k( 233) = ( 0.0000000 -0.0645161 0.0321379), wk = 0.0042194 k( 234) = ( 0.0000000 -0.0483871 0.0241035), wk = 0.0042194 k( 235) = ( 0.0000000 -0.0322581 0.0160690), wk = 0.0042194 k( 236) = ( 0.0000000 -0.0161290 0.0080345), wk = 0.0042194 k( 237) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042194 cryst. coord. k( 1) = ( 0.0000000 -0.5000000 0.0000000), wk = 0.0042194 k( 2) = ( 0.0000000 -0.4838710 0.0000000), wk = 0.0042194 k( 3) = ( 0.0000000 -0.4677419 0.0000000), wk = 0.0042194 k( 4) = ( 0.0000000 -0.4516129 -0.0000000), wk = 0.0042194 k( 5) = ( 0.0000000 -0.4354839 -0.0000000), wk = 0.0042194 k( 6) = ( 0.0000000 -0.4193548 0.0000000), wk = 0.0042194 k( 7) = ( 0.0000000 -0.4032258 0.0000000), wk = 0.0042194 k( 8) = ( 0.0000000 -0.3870968 0.0000000), wk = 0.0042194 k( 9) = ( 0.0000000 -0.3709677 0.0000000), wk = 0.0042194 k( 10) = ( 0.0000000 -0.3548387 -0.0000000), wk = 0.0042194 k( 11) = ( 0.0000000 -0.3387097 -0.0000000), wk = 0.0042194 k( 12) = ( 0.0000000 -0.3225807 0.0000000), wk = 0.0042194 k( 13) = ( 0.0000000 -0.3064516 -0.0000000), wk = 0.0042194 k( 14) = ( 0.0000000 -0.2903226 0.0000000), wk = 0.0042194 k( 15) = ( 0.0000000 -0.2741936 0.0000000), wk = 0.0042194 k( 16) = ( 0.0000000 -0.2580645 0.0000000), wk = 0.0042194 k( 17) = ( 0.0000000 -0.2419355 -0.0000000), wk = 0.0042194 k( 18) = ( 0.0000000 -0.2258064 -0.0000000), wk = 0.0042194 k( 19) = ( 0.0000000 -0.2096774 0.0000000), wk = 0.0042194 k( 20) = ( 0.0000000 -0.1935484 0.0000000), wk = 0.0042194 k( 21) = ( 0.0000000 -0.1774194 0.0000000), wk = 0.0042194 k( 22) = ( 0.0000000 -0.1612903 0.0000000), wk = 0.0042194 k( 23) = ( 0.0000000 -0.1451613 0.0000000), wk = 0.0042194 k( 24) = ( 0.0000000 -0.1290323 0.0000000), wk = 0.0042194 k( 25) = ( 0.0000000 -0.1129032 0.0000000), wk = 0.0042194 k( 26) = ( 0.0000000 -0.0967742 0.0000000), wk = 0.0042194 k( 27) = ( 0.0000000 -0.0806452 0.0000000), wk = 0.0042194 k( 28) = ( 0.0000000 -0.0645161 0.0000000), wk = 0.0042194 k( 29) = ( 0.0000000 -0.0483871 0.0000000), wk = 0.0042194 k( 30) = ( 0.0000000 -0.0322581 -0.0000000), wk = 0.0042194 k( 31) = ( 0.0000000 -0.0161290 -0.0000000), wk = 0.0042194 k( 32) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042194 k( 33) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042194 k( 34) = ( 0.0161290 0.0000000 0.0000000), wk = 0.0042194 k( 35) = ( 0.0322581 0.0000000 0.0000000), wk = 0.0042194 k( 36) = ( 0.0483871 0.0000000 0.0000000), wk = 0.0042194 k( 37) = ( 0.0645161 0.0000000 -0.0000000), wk = 0.0042194 k( 38) = ( 0.0806452 0.0000000 0.0000000), wk = 0.0042194 k( 39) = ( 0.0967742 0.0000000 0.0000000), wk = 0.0042194 k( 40) = ( 0.1129032 0.0000000 0.0000000), wk = 0.0042194 k( 41) = ( 0.1290323 0.0000000 -0.0000000), wk = 0.0042194 k( 42) = ( 0.1451613 0.0000000 0.0000000), wk = 0.0042194 k( 43) = ( 0.1612903 0.0000000 0.0000000), wk = 0.0042194 k( 44) = ( 0.1774194 0.0000000 0.0000000), wk = 0.0042194 k( 45) = ( 0.1935484 0.0000000 0.0000000), wk = 0.0042194 k( 46) = ( 0.2096774 0.0000000 0.0000000), wk = 0.0042194 k( 47) = ( 0.2258064 0.0000000 0.0000000), wk = 0.0042194 k( 48) = ( 0.2419355 0.0000000 0.0000000), wk = 0.0042194 k( 49) = ( 0.2580645 0.0000000 -0.0000000), wk = 0.0042194 k( 50) = ( 0.2741936 0.0000000 0.0000000), wk = 0.0042194 k( 51) = ( 0.2903226 0.0000000 0.0000000), wk = 0.0042194 k( 52) = ( 0.3064516 0.0000000 0.0000000), wk = 0.0042194 k( 53) = ( 0.3225807 0.0000000 0.0000000), wk = 0.0042194 k( 54) = ( 0.3387097 0.0000000 0.0000000), wk = 0.0042194 k( 55) = ( 0.3548387 0.0000000 0.0000000), wk = 0.0042194 k( 56) = ( 0.3709677 0.0000000 0.0000000), wk = 0.0042194 k( 57) = ( 0.3870968 0.0000000 0.0000000), wk = 0.0042194 k( 58) = ( 0.4032258 0.0000000 0.0000000), wk = 0.0042194 k( 59) = ( 0.4193548 0.0000000 0.0000000), wk = 0.0042194 k( 60) = ( 0.4354839 0.0000000 0.0000000), wk = 0.0042194 k( 61) = ( 0.4516129 0.0000000 0.0000000), wk = 0.0042194 k( 62) = ( 0.4677419 0.0000000 0.0000000), wk = 0.0042194 k( 63) = ( 0.4838710 0.0000000 0.0000000), wk = 0.0042194 k( 64) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0042194 k( 65) = ( 0.5000000 -0.5000000 -0.0000000), wk = 0.0042194 k( 66) = ( 0.4871795 -0.4871795 0.0000000), wk = 0.0042194 k( 67) = ( 0.4743590 -0.4743590 0.0000000), wk = 0.0042194 k( 68) = ( 0.4615385 -0.4615385 0.0000000), wk = 0.0042194 k( 69) = ( 0.4487179 -0.4487179 0.0000000), wk = 0.0042194 k( 70) = ( 0.4358974 -0.4358974 0.0000000), wk = 0.0042194 k( 71) = ( 0.4230769 -0.4230769 0.0000000), wk = 0.0042194 k( 72) = ( 0.4102564 -0.4102564 0.0000000), wk = 0.0042194 k( 73) = ( 0.3974359 -0.3974359 0.0000000), wk = 0.0042194 k( 74) = ( 0.3846154 -0.3846154 0.0000000), wk = 0.0042194 k( 75) = ( 0.3717949 -0.3717949 0.0000000), wk = 0.0042194 k( 76) = ( 0.3589744 -0.3589744 0.0000000), wk = 0.0042194 k( 77) = ( 0.3461538 -0.3461538 0.0000000), wk = 0.0042194 k( 78) = ( 0.3333333 -0.3333333 0.0000000), wk = 0.0042194 k( 79) = ( 0.3205128 -0.3205128 0.0000000), wk = 0.0042194 k( 80) = ( 0.3076923 -0.3076923 0.0000000), wk = 0.0042194 k( 81) = ( 0.2948718 -0.2948718 0.0000000), wk = 0.0042194 k( 82) = ( 0.2820513 -0.2820513 0.0000000), wk = 0.0042194 k( 83) = ( 0.2692308 -0.2692308 0.0000000), wk = 0.0042194 k( 84) = ( 0.2564103 -0.2564103 -0.0000000), wk = 0.0042194 k( 85) = ( 0.2435897 -0.2435897 0.0000000), wk = 0.0042194 k( 86) = ( 0.2307692 -0.2307692 0.0000000), wk = 0.0042194 k( 87) = ( 0.2179487 -0.2179487 0.0000000), wk = 0.0042194 k( 88) = ( 0.2051282 -0.2051282 0.0000000), wk = 0.0042194 k( 89) = ( 0.1923077 -0.1923077 0.0000000), wk = 0.0042194 k( 90) = ( 0.1794872 -0.1794872 0.0000000), wk = 0.0042194 k( 91) = ( 0.1666667 -0.1666667 -0.0000000), wk = 0.0042194 k( 92) = ( 0.1538461 -0.1538461 0.0000000), wk = 0.0042194 k( 93) = ( 0.1410256 -0.1410256 0.0000000), wk = 0.0042194 k( 94) = ( 0.1282051 -0.1282051 -0.0000000), wk = 0.0042194 k( 95) = ( 0.1153846 -0.1153846 0.0000000), wk = 0.0042194 k( 96) = ( 0.1025641 -0.1025641 -0.0000000), wk = 0.0042194 k( 97) = ( 0.0897436 -0.0897436 0.0000000), wk = 0.0042194 k( 98) = ( 0.0769231 -0.0769231 0.0000000), wk = 0.0042194 k( 99) = ( 0.0641026 -0.0641026 0.0000000), wk = 0.0042194 k( 100) = ( 0.0512821 -0.0512821 -0.0000000), wk = 0.0042194 k( 101) = ( 0.0384615 -0.0384615 0.0000000), wk = 0.0042194 k( 102) = ( 0.0256410 -0.0256410 0.0000000), wk = 0.0042194 k( 103) = ( 0.0128205 -0.0128205 -0.0000000), wk = 0.0042194 k( 104) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042194 k( 105) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042194 k( 106) = ( -0.0161290 0.0000000 0.0161290), wk = 0.0042194 k( 107) = ( -0.0322581 0.0000000 0.0322581), wk = 0.0042194 k( 108) = ( -0.0483871 0.0000000 0.0483871), wk = 0.0042194 k( 109) = ( -0.0645161 0.0000000 0.0645161), wk = 0.0042194 k( 110) = ( -0.0806452 0.0000000 0.0806452), wk = 0.0042194 k( 111) = ( -0.0967742 0.0000000 0.0967742), wk = 0.0042194 k( 112) = ( -0.1129032 0.0000000 0.1129032), wk = 0.0042194 k( 113) = ( -0.1290323 0.0000000 0.1290323), wk = 0.0042194 k( 114) = ( -0.1451613 0.0000000 0.1451613), wk = 0.0042194 k( 115) = ( -0.1612903 0.0000000 0.1612903), wk = 0.0042194 k( 116) = ( -0.1774194 0.0000000 0.1774193), wk = 0.0042194 k( 117) = ( -0.1935484 0.0000000 0.1935484), wk = 0.0042194 k( 118) = ( -0.2096774 0.0000000 0.2096774), wk = 0.0042194 k( 119) = ( -0.2258064 0.0000000 0.2258064), wk = 0.0042194 k( 120) = ( -0.2419355 0.0000000 0.2419355), wk = 0.0042194 k( 121) = ( -0.2580645 0.0000000 0.2580645), wk = 0.0042194 k( 122) = ( -0.2741936 0.0000000 0.2741936), wk = 0.0042194 k( 123) = ( -0.2903226 0.0000000 0.2903226), wk = 0.0042194 k( 124) = ( -0.3064516 0.0000000 0.3064516), wk = 0.0042194 k( 125) = ( -0.3225807 0.0000000 0.3225806), wk = 0.0042194 k( 126) = ( -0.3387097 0.0000000 0.3387097), wk = 0.0042194 k( 127) = ( -0.3548387 0.0000000 0.3548387), wk = 0.0042194 k( 128) = ( -0.3709677 0.0000000 0.3709677), wk = 0.0042194 k( 129) = ( -0.3870968 0.0000000 0.3870968), wk = 0.0042194 k( 130) = ( -0.4032258 0.0000000 0.4032258), wk = 0.0042194 k( 131) = ( -0.4193548 0.0000000 0.4193548), wk = 0.0042194 k( 132) = ( -0.4354839 0.0000000 0.4354839), wk = 0.0042194 k( 133) = ( -0.4516129 0.0000000 0.4516129), wk = 0.0042194 k( 134) = ( -0.4677419 0.0000000 0.4677419), wk = 0.0042194 k( 135) = ( -0.4838710 0.0000000 0.4838710), wk = 0.0042194 k( 136) = ( -0.5000000 0.0000000 0.5000000), wk = 0.0042194 k( 137) = ( -0.5000000 -0.5000000 0.5000000), wk = 0.0042194 k( 138) = ( -0.4871795 -0.4871795 0.4871795), wk = 0.0042194 k( 139) = ( -0.4743590 -0.4743590 0.4743590), wk = 0.0042194 k( 140) = ( -0.4615385 -0.4615385 0.4615385), wk = 0.0042194 k( 141) = ( -0.4487179 -0.4487179 0.4487179), wk = 0.0042194 k( 142) = ( -0.4358974 -0.4358974 0.4358974), wk = 0.0042194 k( 143) = ( -0.4230769 -0.4230769 0.4230769), wk = 0.0042194 k( 144) = ( -0.4102564 -0.4102564 0.4102564), wk = 0.0042194 k( 145) = ( -0.3974359 -0.3974359 0.3974359), wk = 0.0042194 k( 146) = ( -0.3846154 -0.3846154 0.3846154), wk = 0.0042194 k( 147) = ( -0.3717949 -0.3717949 0.3717949), wk = 0.0042194 k( 148) = ( -0.3589744 -0.3589744 0.3589744), wk = 0.0042194 k( 149) = ( -0.3461538 -0.3461538 0.3461538), wk = 0.0042194 k( 150) = ( -0.3333333 -0.3333333 0.3333333), wk = 0.0042194 k( 151) = ( -0.3205128 -0.3205128 0.3205128), wk = 0.0042194 k( 152) = ( -0.3076923 -0.3076923 0.3076923), wk = 0.0042194 k( 153) = ( -0.2948718 -0.2948718 0.2948718), wk = 0.0042194 k( 154) = ( -0.2820513 -0.2820513 0.2820513), wk = 0.0042194 k( 155) = ( -0.2692308 -0.2692308 0.2692308), wk = 0.0042194 k( 156) = ( -0.2564103 -0.2564103 0.2564103), wk = 0.0042194 k( 157) = ( -0.2435897 -0.2435897 0.2435897), wk = 0.0042194 k( 158) = ( -0.2307692 -0.2307692 0.2307692), wk = 0.0042194 k( 159) = ( -0.2179487 -0.2179487 0.2179487), wk = 0.0042194 k( 160) = ( -0.2051282 -0.2051282 0.2051282), wk = 0.0042194 k( 161) = ( -0.1923077 -0.1923077 0.1923077), wk = 0.0042194 k( 162) = ( -0.1794872 -0.1794872 0.1794872), wk = 0.0042194 k( 163) = ( -0.1666667 -0.1666667 0.1666667), wk = 0.0042194 k( 164) = ( -0.1538461 -0.1538461 0.1538461), wk = 0.0042194 k( 165) = ( -0.1410256 -0.1410256 0.1410256), wk = 0.0042194 k( 166) = ( -0.1282051 -0.1282051 0.1282051), wk = 0.0042194 k( 167) = ( -0.1153846 -0.1153846 0.1153846), wk = 0.0042194 k( 168) = ( -0.1025641 -0.1025641 0.1025641), wk = 0.0042194 k( 169) = ( -0.0897436 -0.0897436 0.0897436), wk = 0.0042194 k( 170) = ( -0.0769231 -0.0769231 0.0769231), wk = 0.0042194 k( 171) = ( -0.0641026 -0.0641026 0.0641026), wk = 0.0042194 k( 172) = ( -0.0512821 -0.0512821 0.0512821), wk = 0.0042194 k( 173) = ( -0.0384615 -0.0384615 0.0384615), wk = 0.0042194 k( 174) = ( -0.0256410 -0.0256410 0.0256410), wk = 0.0042194 k( 175) = ( -0.0128205 -0.0128205 0.0128205), wk = 0.0042194 k( 176) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042194 k( 177) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042194 k( 178) = ( 0.0000000 0.0000000 0.0178571), wk = 0.0042194 k( 179) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0042194 k( 180) = ( 0.0000000 0.0000000 0.0535714), wk = 0.0042194 k( 181) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0042194 k( 182) = ( 0.0000000 0.0000000 0.0892857), wk = 0.0042194 k( 183) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0042194 k( 184) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0042194 k( 185) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0042194 k( 186) = ( 0.0000000 0.0000000 0.1607143), wk = 0.0042194 k( 187) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0042194 k( 188) = ( 0.0000000 0.0000000 0.1964286), wk = 0.0042194 k( 189) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0042194 k( 190) = ( 0.0000000 0.0000000 0.2321429), wk = 0.0042194 k( 191) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0042194 k( 192) = ( 0.0000000 0.0000000 0.2678571), wk = 0.0042194 k( 193) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0042194 k( 194) = ( 0.0000000 0.0000000 0.3035714), wk = 0.0042194 k( 195) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0042194 k( 196) = ( 0.0000000 0.0000000 0.3392857), wk = 0.0042194 k( 197) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0042194 k( 198) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0042194 k( 199) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0042194 k( 200) = ( 0.0000000 0.0000000 0.4107143), wk = 0.0042194 k( 201) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0042194 k( 202) = ( 0.0000000 0.0000000 0.4464286), wk = 0.0042194 k( 203) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0042194 k( 204) = ( 0.0000000 0.0000000 0.4821429), wk = 0.0042194 k( 205) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0042194 k( 206) = ( 0.0000000 -0.5000000 0.5000000), wk = 0.0042194 k( 207) = ( 0.0000000 -0.4838710 0.4838710), wk = 0.0042194 k( 208) = ( 0.0000000 -0.4677419 0.4677419), wk = 0.0042194 k( 209) = ( 0.0000000 -0.4516129 0.4516129), wk = 0.0042194 k( 210) = ( 0.0000000 -0.4354839 0.4354839), wk = 0.0042194 k( 211) = ( 0.0000000 -0.4193548 0.4193548), wk = 0.0042194 k( 212) = ( 0.0000000 -0.4032258 0.4032258), wk = 0.0042194 k( 213) = ( 0.0000000 -0.3870968 0.3870968), wk = 0.0042194 k( 214) = ( 0.0000000 -0.3709677 0.3709677), wk = 0.0042194 k( 215) = ( 0.0000000 -0.3548387 0.3548387), wk = 0.0042194 k( 216) = ( 0.0000000 -0.3387097 0.3387097), wk = 0.0042194 k( 217) = ( 0.0000000 -0.3225807 0.3225807), wk = 0.0042194 k( 218) = ( 0.0000000 -0.3064516 0.3064516), wk = 0.0042194 k( 219) = ( 0.0000000 -0.2903226 0.2903226), wk = 0.0042194 k( 220) = ( 0.0000000 -0.2741936 0.2741936), wk = 0.0042194 k( 221) = ( 0.0000000 -0.2580645 0.2580645), wk = 0.0042194 k( 222) = ( 0.0000000 -0.2419355 0.2419355), wk = 0.0042194 k( 223) = ( 0.0000000 -0.2258064 0.2258064), wk = 0.0042194 k( 224) = ( 0.0000000 -0.2096774 0.2096774), wk = 0.0042194 k( 225) = ( 0.0000000 -0.1935484 0.1935484), wk = 0.0042194 k( 226) = ( 0.0000000 -0.1774194 0.1774193), wk = 0.0042194 k( 227) = ( 0.0000000 -0.1612903 0.1612903), wk = 0.0042194 k( 228) = ( 0.0000000 -0.1451613 0.1451613), wk = 0.0042194 k( 229) = ( 0.0000000 -0.1290323 0.1290323), wk = 0.0042194 k( 230) = ( 0.0000000 -0.1129032 0.1129032), wk = 0.0042194 k( 231) = ( 0.0000000 -0.0967742 0.0967742), wk = 0.0042194 k( 232) = ( 0.0000000 -0.0806452 0.0806452), wk = 0.0042194 k( 233) = ( 0.0000000 -0.0645161 0.0645161), wk = 0.0042194 k( 234) = ( 0.0000000 -0.0483871 0.0483871), wk = 0.0042194 k( 235) = ( 0.0000000 -0.0322581 0.0322581), wk = 0.0042194 k( 236) = ( 0.0000000 -0.0161290 0.0161290), wk = 0.0042194 k( 237) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042194 Dense grid: 80495 G-vectors FFT dimensions: ( 54, 54, 72) Smooth grid: 55049 G-vectors FFT dimensions: ( 48, 48, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.39 Mb ( 300, 86) NL pseudopotentials 0.38 Mb ( 150, 164) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.01 Mb ( 1677) G-vector shells 0.01 Mb ( 1657) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.57 Mb ( 300, 344) Each subspace H/S matrix 1.81 Mb ( 344, 344) Each matrix 0.43 Mb ( 164, 2, 86) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./InCuSe2.save/charge-density.dat Starting wfc are 104 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 44.9 secs Computing kpt #: 2 total cpu time spent up to now is 50.0 secs Computing kpt #: 3 total cpu time spent up to now is 55.1 secs Computing kpt #: 4 total cpu time spent up to now is 60.2 secs Computing kpt #: 5 total cpu time spent up to now is 65.2 secs Computing kpt #: 6 total cpu time spent up to now is 70.2 secs Computing kpt #: 7 total cpu time spent up to now is 75.3 secs Computing kpt #: 8 total cpu time spent up to now is 80.4 secs Computing kpt #: 9 total cpu time spent up to now is 85.4 secs Computing kpt #: 10 total cpu time spent up to now is 90.5 secs Computing kpt #: 11 total cpu time spent up to now is 95.7 secs Computing kpt #: 12 total cpu time spent up to now is 100.8 secs Computing kpt #: 13 total cpu time spent up to now is 105.9 secs Computing kpt #: 14 total cpu time spent up to now is 111.0 secs Computing kpt #: 15 total cpu time spent up to now is 116.1 secs Computing kpt #: 16 total cpu time spent up to now is 121.2 secs Computing kpt #: 17 total cpu time spent up to now is 126.3 secs Computing kpt #: 18 total cpu time spent up to now is 131.7 secs Computing kpt #: 19 total cpu time spent up to now is 137.1 secs Computing kpt #: 20 total cpu time spent up to now is 142.8 secs Computing kpt #: 21 total cpu time spent up to now is 148.3 secs Computing kpt #: 22 total cpu time spent up to now is 153.5 secs Computing kpt #: 23 total cpu time spent up to now is 159.4 secs Computing kpt #: 24 total cpu time spent up to now is 164.6 secs Computing kpt #: 25 total cpu time spent up to now is 169.6 secs Computing kpt #: 26 total cpu time spent up to now is 174.5 secs Computing kpt #: 27 total cpu time spent up to now is 179.5 secs Computing kpt #: 28 total cpu time spent up to now is 184.5 secs Computing kpt #: 29 total cpu time spent up to now is 189.6 secs Computing kpt #: 30 total cpu time spent up to now is 194.8 secs Computing kpt #: 31 total cpu time spent up to now is 200.2 secs Computing kpt #: 32 total cpu time spent up to now is 205.5 secs Computing kpt #: 33 total cpu time spent up to now is 210.8 secs Computing kpt #: 34 total cpu time spent up to now is 216.0 secs Computing kpt #: 35 total cpu time spent up to now is 221.2 secs Computing kpt #: 36 total cpu time spent up to now is 226.2 secs Computing kpt #: 37 total cpu time spent up to now is 231.2 secs Computing kpt #: 38 total cpu time spent up to now is 236.2 secs Computing kpt #: 39 total cpu time spent up to now is 241.2 secs Computing kpt #: 40 total cpu time spent up to now is 246.3 secs Computing kpt #: 41 total cpu time spent up to now is 251.4 secs Computing kpt #: 42 total cpu time spent up to now is 256.8 secs Computing kpt #: 43 total cpu time spent up to now is 262.1 secs Computing kpt #: 44 total cpu time spent up to now is 267.4 secs Computing kpt #: 45 total cpu time spent up to now is 272.8 secs Computing kpt #: 46 total cpu time spent up to now is 278.1 secs Computing kpt #: 47 total cpu time spent up to now is 283.4 secs Computing kpt #: 48 total cpu time spent up to now is 288.6 secs Computing kpt #: 49 total cpu time spent up to now is 293.8 secs Computing kpt #: 50 total cpu time spent up to now is 299.0 secs Computing kpt #: 51 total cpu time spent up to now is 304.4 secs Computing kpt #: 52 total cpu time spent up to now is 309.7 secs Computing kpt #: 53 total cpu time spent up to now is 315.1 secs Computing kpt #: 54 total cpu time spent up to now is 320.3 secs Computing kpt #: 55 total cpu time spent up to now is 325.3 secs Computing kpt #: 56 total cpu time spent up to now is 330.4 secs Computing kpt #: 57 total cpu time spent up to now is 335.4 secs Computing kpt #: 58 total cpu time spent up to now is 340.4 secs Computing kpt #: 59 total cpu time spent up to now is 345.7 secs Computing kpt #: 60 total cpu time spent up to now is 350.8 secs Computing kpt #: 61 total cpu time spent up to now is 355.9 secs Computing kpt #: 62 total cpu time spent up to now is 361.0 secs Computing kpt #: 63 total cpu time spent up to now is 366.1 secs Computing kpt #: 64 total cpu time spent up to now is 371.1 secs Computing kpt #: 65 total cpu time spent up to now is 376.1 secs Computing kpt #: 66 total cpu time spent up to now is 381.4 secs Computing kpt #: 67 total cpu time spent up to now is 386.7 secs Computing kpt #: 68 total cpu time spent up to now is 392.3 secs Computing kpt #: 69 total cpu time spent up to now is 398.0 secs Computing kpt #: 70 total cpu time spent up to now is 403.5 secs Computing kpt #: 71 total cpu time spent up to now is 408.9 secs Computing kpt #: 72 total cpu time spent up to now is 414.2 secs Computing kpt #: 73 total cpu time spent up to now is 419.5 secs Computing kpt #: 74 total cpu time spent up to now is 424.7 secs Computing kpt #: 75 total cpu time spent up to now is 430.1 secs Computing kpt #: 76 total cpu time spent up to now is 435.5 secs Computing kpt #: 77 total cpu time spent up to now is 440.9 secs Computing kpt #: 78 total cpu time spent up to now is 446.2 secs Computing kpt #: 79 total cpu time spent up to now is 451.5 secs Computing kpt #: 80 total cpu time spent up to now is 457.4 secs Computing kpt #: 81 total cpu time spent up to now is 464.1 secs Computing kpt #: 82 total cpu time spent up to now is 469.3 secs Computing kpt #: 83 total cpu time spent up to now is 474.5 secs Computing kpt #: 84 total cpu time spent up to now is 479.5 secs Computing kpt #: 85 total cpu time spent up to now is 484.5 secs Computing kpt #: 86 total cpu time spent up to now is 489.6 secs Computing kpt #: 87 total cpu time spent up to now is 494.4 secs Computing kpt #: 88 total cpu time spent up to now is 499.6 secs Computing kpt #: 89 total cpu time spent up to now is 504.6 secs Computing kpt #: 90 total cpu time spent up to now is 509.6 secs Computing kpt #: 91 total cpu time spent up to now is 515.0 secs Computing kpt #: 92 total cpu time spent up to now is 520.2 secs Computing kpt #: 93 total cpu time spent up to now is 525.5 secs Computing kpt #: 94 total cpu time spent up to now is 530.8 secs Computing kpt #: 95 total cpu time spent up to now is 536.2 secs Computing kpt #: 96 total cpu time spent up to now is 541.5 secs Computing kpt #: 97 total cpu time spent up to now is 546.7 secs Computing kpt #: 98 total cpu time spent up to now is 551.8 secs Computing kpt #: 99 total cpu time spent up to now is 556.9 secs Computing kpt #: 100 total cpu time spent up to now is 562.1 secs Computing kpt #: 101 total cpu time spent up to now is 567.1 secs Computing kpt #: 102 total cpu time spent up to now is 572.2 secs Computing kpt #: 103 total cpu time spent up to now is 577.6 secs Computing kpt #: 104 total cpu time spent up to now is 582.9 secs Computing kpt #: 105 total cpu time spent up to now is 588.1 secs Computing kpt #: 106 total cpu time spent up to now is 593.3 secs Computing kpt #: 107 total cpu time spent up to now is 598.5 secs Computing kpt #: 108 total cpu time spent up to now is 603.6 secs Computing kpt #: 109 total cpu time spent up to now is 608.6 secs Computing kpt #: 110 total cpu time spent up to now is 613.7 secs Computing kpt #: 111 total cpu time spent up to now is 618.6 secs Computing kpt #: 112 total cpu time spent up to now is 623.7 secs Computing kpt #: 113 total cpu time spent up to now is 628.8 secs Computing kpt #: 114 total cpu time spent up to now is 634.0 secs Computing kpt #: 115 total cpu time spent up to now is 639.3 secs Computing kpt #: 116 total cpu time spent up to now is 644.5 secs Computing kpt #: 117 total cpu time spent up to now is 650.1 secs Computing kpt #: 118 total cpu time spent up to now is 655.5 secs Computing kpt #: 119 total cpu time spent up to now is 660.8 secs Computing kpt #: 120 total cpu time spent up to now is 666.0 secs Computing kpt #: 121 total cpu time spent up to now is 671.3 secs Computing kpt #: 122 total cpu time spent up to now is 676.7 secs Computing kpt #: 123 total cpu time spent up to now is 681.9 secs Computing kpt #: 124 total cpu time spent up to now is 687.1 secs Computing kpt #: 125 total cpu time spent up to now is 692.3 secs Computing kpt #: 126 total cpu time spent up to now is 697.5 secs Computing kpt #: 127 total cpu time spent up to now is 702.6 secs Computing kpt #: 128 total cpu time spent up to now is 707.7 secs Computing kpt #: 129 total cpu time spent up to now is 712.7 secs Computing kpt #: 130 total cpu time spent up to now is 718.1 secs Computing kpt #: 131 total cpu time spent up to now is 723.2 secs Computing kpt #: 132 total cpu time spent up to now is 728.1 secs Computing kpt #: 133 total cpu time spent up to now is 733.2 secs Computing kpt #: 134 total cpu time spent up to now is 738.4 secs Computing kpt #: 135 total cpu time spent up to now is 743.5 secs Computing kpt #: 136 total cpu time spent up to now is 748.6 secs Computing kpt #: 137 total cpu time spent up to now is 753.8 secs Computing kpt #: 138 total cpu time spent up to now is 760.7 secs Computing kpt #: 139 total cpu time spent up to now is 766.7 secs Computing kpt #: 140 total cpu time spent up to now is 772.3 secs Computing kpt #: 141 total cpu time spent up to now is 777.9 secs Computing kpt #: 142 total cpu time spent up to now is 783.5 secs Computing kpt #: 143 total cpu time spent up to now is 789.1 secs Computing kpt #: 144 total cpu time spent up to now is 794.5 secs Computing kpt #: 145 total cpu time spent up to now is 800.0 secs Computing kpt #: 146 total cpu time spent up to now is 805.2 secs Computing kpt #: 147 total cpu time spent up to now is 810.7 secs Computing kpt #: 148 total cpu time spent up to now is 816.1 secs Computing kpt #: 149 total cpu time spent up to now is 821.4 secs Computing kpt #: 150 total cpu time spent up to now is 826.8 secs Computing kpt #: 151 total cpu time spent up to now is 832.2 secs Computing kpt #: 152 total cpu time spent up to now is 837.7 secs Computing kpt #: 153 total cpu time spent up to now is 843.0 secs Computing kpt #: 154 total cpu time spent up to now is 848.3 secs Computing kpt #: 155 total cpu time spent up to now is 853.4 secs Computing kpt #: 156 total cpu time spent up to now is 858.5 secs Computing kpt #: 157 total cpu time spent up to now is 863.8 secs Computing kpt #: 158 total cpu time spent up to now is 868.8 secs Computing kpt #: 159 total cpu time spent up to now is 873.7 secs Computing kpt #: 160 total cpu time spent up to now is 878.7 secs Computing kpt #: 161 total cpu time spent up to now is 883.7 secs Computing kpt #: 162 total cpu time spent up to now is 888.8 secs Computing kpt #: 163 total cpu time spent up to now is 893.9 secs Computing kpt #: 164 total cpu time spent up to now is 899.7 secs Computing kpt #: 165 total cpu time spent up to now is 904.9 secs Computing kpt #: 166 total cpu time spent up to now is 910.2 secs Computing kpt #: 167 total cpu time spent up to now is 915.6 secs Computing kpt #: 168 total cpu time spent up to now is 920.8 secs Computing kpt #: 169 total cpu time spent up to now is 926.1 secs Computing kpt #: 170 total cpu time spent up to now is 931.3 secs Computing kpt #: 171 total cpu time spent up to now is 936.3 secs Computing kpt #: 172 total cpu time spent up to now is 941.3 secs Computing kpt #: 173 total cpu time spent up to now is 946.5 secs Computing kpt #: 174 total cpu time spent up to now is 951.8 secs Computing kpt #: 175 total cpu time spent up to now is 957.0 secs Computing kpt #: 176 total cpu time spent up to now is 962.3 secs Computing kpt #: 177 total cpu time spent up to now is 967.4 secs Computing kpt #: 178 total cpu time spent up to now is 972.8 secs Computing kpt #: 179 total cpu time spent up to now is 978.0 secs Computing kpt #: 180 total cpu time spent up to now is 983.4 secs Computing kpt #: 181 total cpu time spent up to now is 988.6 secs Computing kpt #: 182 total cpu time spent up to now is 993.8 secs Computing kpt #: 183 total cpu time spent up to now is 999.0 secs Computing kpt #: 184 total cpu time spent up to now is 1004.2 secs Computing kpt #: 185 total cpu time spent up to now is 1009.7 secs Computing kpt #: 186 total cpu time spent up to now is 1015.1 secs Computing kpt #: 187 total cpu time spent up to now is 1020.4 secs Computing kpt #: 188 total cpu time spent up to now is 1025.7 secs Computing kpt #: 189 total cpu time spent up to now is 1030.9 secs Computing kpt #: 190 total cpu time spent up to now is 1036.2 secs Computing kpt #: 191 total cpu time spent up to now is 1041.6 secs Computing kpt #: 192 total cpu time spent up to now is 1046.8 secs Computing kpt #: 193 total cpu time spent up to now is 1052.0 secs Computing kpt #: 194 total cpu time spent up to now is 1057.9 secs Computing kpt #: 195 total cpu time spent up to now is 1063.5 secs Computing kpt #: 196 total cpu time spent up to now is 1068.9 secs Computing kpt #: 197 total cpu time spent up to now is 1074.2 secs Computing kpt #: 198 total cpu time spent up to now is 1079.4 secs Computing kpt #: 199 total cpu time spent up to now is 1084.6 secs Computing kpt #: 200 total cpu time spent up to now is 1089.8 secs Computing kpt #: 201 total cpu time spent up to now is 1094.9 secs Computing kpt #: 202 total cpu time spent up to now is 1100.0 secs Computing kpt #: 203 total cpu time spent up to now is 1105.1 secs Computing kpt #: 204 total cpu time spent up to now is 1110.2 secs Computing kpt #: 205 total cpu time spent up to now is 1115.2 secs Computing kpt #: 206 total cpu time spent up to now is 1120.5 secs Computing kpt #: 207 total cpu time spent up to now is 1125.8 secs Computing kpt #: 208 total cpu time spent up to now is 1130.9 secs Computing kpt #: 209 total cpu time spent up to now is 1136.0 secs Computing kpt #: 210 total cpu time spent up to now is 1141.0 secs Computing kpt #: 211 total cpu time spent up to now is 1146.2 secs Computing kpt #: 212 total cpu time spent up to now is 1151.2 secs Computing kpt #: 213 total cpu time spent up to now is 1156.3 secs Computing kpt #: 214 total cpu time spent up to now is 1161.3 secs Computing kpt #: 215 total cpu time spent up to now is 1166.4 secs Computing kpt #: 216 total cpu time spent up to now is 1171.6 secs Computing kpt #: 217 total cpu time spent up to now is 1176.8 secs Computing kpt #: 218 total cpu time spent up to now is 1181.9 secs Computing kpt #: 219 total cpu time spent up to now is 1187.0 secs Computing kpt #: 220 total cpu time spent up to now is 1192.2 secs Computing kpt #: 221 total cpu time spent up to now is 1197.4 secs Computing kpt #: 222 total cpu time spent up to now is 1202.6 secs Computing kpt #: 223 total cpu time spent up to now is 1207.9 secs Computing kpt #: 224 total cpu time spent up to now is 1213.2 secs Computing kpt #: 225 total cpu time spent up to now is 1218.5 secs Computing kpt #: 226 total cpu time spent up to now is 1223.8 secs Computing kpt #: 227 total cpu time spent up to now is 1228.9 secs Computing kpt #: 228 total cpu time spent up to now is 1234.0 secs Computing kpt #: 229 total cpu time spent up to now is 1239.1 secs Computing kpt #: 230 total cpu time spent up to now is 1244.1 secs Computing kpt #: 231 total cpu time spent up to now is 1249.2 secs Computing kpt #: 232 total cpu time spent up to now is 1254.3 secs Computing kpt #: 233 total cpu time spent up to now is 1259.4 secs Computing kpt #: 234 total cpu time spent up to now is 1264.6 secs Computing kpt #: 235 total cpu time spent up to now is 1269.8 secs Computing kpt #: 236 total cpu time spent up to now is 1275.1 secs Computing kpt #: 237 total cpu time spent up to now is 1280.3 secs ethr = 1.39E-11, avg # of iterations = 28.2 total cpu time spent up to now is 1280.3 secs End of band structure calculation k = 0.0000-0.5000-0.2479 ( 6874 PWs) bands (ev): -8.6272 -8.6272 -8.5921 -8.5921 -8.5259 -8.5259 -8.4742 -8.4742 -7.9400 -7.9400 -7.7977 -7.7977 -7.7025 -7.7025 -7.6616 -7.6616 -7.6144 -7.6144 -7.5923 -7.5923 -6.4924 -6.4924 -6.1857 -6.1857 -5.8027 -5.8027 -5.7042 -5.7042 0.6363 0.6363 1.1151 1.1151 2.1652 2.1652 2.4995 2.4995 2.6578 2.6578 2.9469 2.9469 3.3537 3.3537 3.6029 3.6029 3.6351 3.6351 3.7014 3.7014 3.8269 3.8269 4.1381 4.1381 5.0976 5.0976 5.1657 5.1657 5.2583 5.2583 5.3721 5.3721 5.4927 5.4927 5.7138 5.7138 5.8073 5.8073 5.9111 5.9111 6.0203 6.0203 6.5052 6.5052 9.1421 9.1421 9.5233 9.5233 10.1856 10.1856 10.8190 10.8190 11.1158 11.1158 11.2142 11.2142 11.6604 11.6604 k = 0.0000-0.4839-0.2399 ( 6875 PWs) bands (ev): -8.6274 -8.6270 -8.5946 -8.5894 -8.5297 -8.5222 -8.4748 -8.4736 -7.9434 -7.9365 -7.8010 -7.7944 -7.7031 -7.7018 -7.6629 -7.6602 -7.6144 -7.6143 -7.5926 -7.5920 -6.5002 -6.4939 -6.1852 -6.1772 -5.8032 -5.8017 -5.7043 -5.7039 0.6342 0.6361 1.1121 1.1170 2.1635 2.1652 2.4904 2.5071 2.6581 2.6670 2.9458 2.9508 3.3460 3.3556 3.5853 3.6127 3.6242 3.6519 3.6968 3.7069 3.8219 3.8333 4.1341 4.1422 5.0931 5.1022 5.1630 5.1687 5.2551 5.2615 5.3676 5.3752 5.4912 5.4933 5.7034 5.7206 5.8004 5.8125 5.9062 5.9180 6.0197 6.0270 6.5044 6.5103 9.1325 9.1397 9.5194 9.5282 10.1830 10.1882 10.7938 10.8051 11.1190 11.1384 11.2126 11.2160 11.6289 11.6651 k = 0.0000-0.4677-0.2319 ( 6879 PWs) bands (ev): -8.6276 -8.6267 -8.5970 -8.5867 -8.5334 -8.5185 -8.4755 -8.4730 -7.9468 -7.9329 -7.8043 -7.7911 -7.7036 -7.7011 -7.6642 -7.6587 -7.6145 -7.6142 -7.5929 -7.5917 -6.5159 -6.5045 -6.1759 -6.1611 -5.8031 -5.8001 -5.7042 -5.7033 0.6300 0.6336 1.1081 1.1179 2.1600 2.1633 2.4812 2.5124 2.6682 2.6843 2.9479 2.9576 3.3328 3.3515 3.5666 3.5979 3.6360 3.6676 3.6926 3.7140 3.8184 3.8408 4.1303 4.1463 5.0890 5.1068 5.1605 5.1718 5.2521 5.2648 5.3616 5.3767 5.4886 5.4930 5.6906 5.7228 5.7925 5.8153 5.9042 5.9260 6.0254 6.0397 6.5080 6.5193 9.1118 9.1253 9.5165 9.5331 10.1805 10.1909 10.7433 10.7624 11.1313 11.1673 11.2099 11.2195 11.5949 11.6511 k = 0.0000-0.4516-0.2239 ( 6880 PWs) bands (ev): -8.6277 -8.6264 -8.5993 -8.5839 -8.5371 -8.5149 -8.4761 -8.4724 -7.9500 -7.9294 -7.8074 -7.7878 -7.7041 -7.7003 -7.6653 -7.6572 -7.6145 -7.6142 -7.5933 -7.5915 -6.5375 -6.5226 -6.1594 -6.1394 -5.8024 -5.7980 -5.7037 -5.7024 0.6236 0.6290 1.1033 1.1176 2.1550 2.1597 2.4728 2.5157 2.6875 2.7083 2.9530 2.9671 3.3150 3.3419 3.5476 3.5811 3.6473 3.6805 3.6894 3.7230 3.8165 3.8491 4.1268 4.1504 5.0852 5.1113 5.1584 5.1749 5.2492 5.2681 5.3543 5.3770 5.4852 5.4920 5.6766 5.7197 5.7839 5.8152 5.9053 5.9342 6.0376 6.0580 6.5157 6.5321 9.0817 9.1003 9.5136 9.5366 10.1784 10.1940 10.6846 10.7090 11.1235 11.1596 11.2147 11.2260 11.5862 11.6438 k = 0.0000-0.4355-0.2159 ( 6881 PWs) bands (ev): -8.6278 -8.6261 -8.6015 -8.5810 -8.5408 -8.5113 -8.4767 -8.4718 -7.9531 -7.9259 -7.8105 -7.7846 -7.7044 -7.6995 -7.6663 -7.6557 -7.6146 -7.6141 -7.5936 -7.5913 -6.5633 -6.5462 -6.1378 -6.1139 -5.8012 -5.7953 -5.7031 -5.7012 0.6152 0.6221 1.0978 1.1165 2.1488 2.1549 2.4660 2.5181 2.7141 2.7376 2.9614 2.9790 3.2934 3.3276 3.5287 3.5649 3.6551 3.6826 3.6952 3.7332 3.8163 3.8579 4.1236 4.1543 5.0817 5.1153 5.1568 5.1781 5.2463 5.2714 5.3459 5.3760 5.4808 5.4903 5.6622 5.7121 5.7750 5.8118 5.9094 5.9423 6.0560 6.0815 6.5273 6.5481 9.0443 9.0665 9.5096 9.5374 10.1769 10.1980 10.6267 10.6550 11.0790 11.1057 11.2257 11.2340 11.6106 11.6526 k = 0.0000-0.4194-0.2079 ( 6876 PWs) bands (ev): -8.6279 -8.6257 -8.6035 -8.5781 -8.5444 -8.5077 -8.4772 -8.4712 -7.9560 -7.9225 -7.8133 -7.7814 -7.7047 -7.6986 -7.6672 -7.6542 -7.6146 -7.6140 -7.5939 -7.5910 -6.5918 -6.5735 -6.1128 -6.0861 -5.7994 -5.7922 -5.7021 -5.6998 0.6048 0.6132 1.0919 1.1146 2.1418 2.1491 2.4609 2.5203 2.7461 2.7710 2.9731 2.9932 3.2693 3.3096 3.5102 3.5496 3.6591 3.6786 3.7057 3.7432 3.8176 3.8669 4.1206 4.1577 5.0786 5.1185 5.1558 5.1813 5.2435 5.2745 5.3366 5.3741 5.4757 5.4879 5.6480 5.7013 5.7657 5.8052 5.9159 5.9499 6.0800 6.1097 6.5423 6.5668 9.0013 9.0259 9.5036 9.5347 10.1764 10.2032 10.5734 10.6050 10.9998 11.0250 11.2366 11.2423 11.6498 11.6703 k = 0.0000-0.4032-0.1999 ( 6865 PWs) bands (ev): -8.6279 -8.6252 -8.6055 -8.5750 -8.5480 -8.5043 -8.4778 -8.4706 -7.9587 -7.9193 -7.8158 -7.7784 -7.7048 -7.6978 -7.6678 -7.6526 -7.6146 -7.6139 -7.5942 -7.5908 -6.6219 -6.6032 -6.0857 -6.0569 -5.7971 -5.7885 -5.7010 -5.6981 0.5927 0.6022 1.0859 1.1123 2.1341 2.1428 2.4577 2.5231 2.7817 2.8072 2.9880 3.0096 3.2437 3.2892 3.4923 3.5351 3.6593 3.6745 3.7152 3.7519 3.8203 3.8757 4.1177 4.1606 5.0759 5.1206 5.1556 5.1844 5.2408 5.2774 5.3268 5.3715 5.4701 5.4847 5.6346 5.6886 5.7561 5.7959 5.9238 5.9569 6.1091 6.1418 6.5602 6.5877 8.9540 8.9800 9.4953 9.5286 10.1768 10.2101 10.5261 10.5610 10.8986 10.9287 11.2478 11.2515 11.6826 11.6878 k = 0.0000-0.3871-0.1919 ( 6872 PWs) bands (ev): -8.6279 -8.6248 -8.6073 -8.5719 -8.5515 -8.5009 -8.4784 -8.4700 -7.9613 -7.9164 -7.8181 -7.7754 -7.7049 -7.6972 -7.6681 -7.6510 -7.6147 -7.6139 -7.5945 -7.5907 -6.6531 -6.6344 -6.0575 -6.0272 -5.7942 -5.7844 -5.6996 -5.6961 0.5790 0.5895 1.0801 1.1095 2.1262 2.1363 2.4562 2.5266 2.8192 2.8447 3.0063 3.0278 3.2181 3.2677 3.4754 3.5216 3.6561 3.6707 3.7231 3.7585 3.8241 3.8842 4.1147 4.1628 5.0735 5.1213 5.1560 5.1874 5.2381 5.2800 5.3164 5.3682 5.4641 5.4807 5.6222 5.6751 5.7464 5.7845 5.9320 5.9632 6.1426 6.1773 6.5805 6.6103 8.9036 8.9302 9.4851 9.5195 10.1779 10.2186 10.4851 10.5236 10.7866 10.8228 11.2592 11.2616 11.6947 11.7058 k = 0.0000-0.3710-0.1839 ( 6874 PWs) bands (ev): -8.6278 -8.6243 -8.6090 -8.5689 -8.5549 -8.4977 -8.4789 -8.4694 -7.9636 -7.9137 -7.8200 -7.7727 -7.7050 -7.6967 -7.6682 -7.6494 -7.6147 -7.6139 -7.5948 -7.5906 -6.6847 -6.6664 -6.0288 -5.9973 -5.7909 -5.7798 -5.6981 -5.6939 0.5639 0.5751 1.0745 1.1067 2.1180 2.1297 2.4565 2.5310 2.8569 2.8814 3.0274 3.0475 3.1947 3.2468 3.4595 3.5092 3.6504 3.6668 3.7292 3.7629 3.8286 3.8921 4.1115 4.1640 5.0715 5.1207 5.1566 5.1902 5.2354 5.2822 5.3057 5.3645 5.4581 5.4757 5.6111 5.6618 5.7370 5.7717 5.9400 5.9689 6.1797 6.2158 6.6028 6.6342 8.8506 8.8771 9.4739 9.5088 10.1791 10.2281 10.4502 10.4924 10.6701 10.7124 11.2705 11.2726 11.6976 11.7142 k = 0.0000-0.3548-0.1759 ( 6873 PWs) bands (ev): -8.6277 -8.6238 -8.6105 -8.5660 -8.5579 -8.4947 -8.4794 -8.4688 -7.9656 -7.9114 -7.8215 -7.7701 -7.7049 -7.6963 -7.6678 -7.6478 -7.6147 -7.6139 -7.5951 -7.5904 -6.7165 -6.6987 -6.0002 -5.9677 -5.7871 -5.7748 -5.6964 -5.6915 0.5477 0.5594 1.0696 1.1040 2.1099 2.1233 2.4584 2.5364 2.8924 2.9145 3.0497 3.0690 3.1769 3.2289 3.4450 3.4982 3.6428 3.6622 3.7333 3.7650 3.8334 3.8993 4.1078 4.1641 5.0696 5.1190 5.1570 5.1926 5.2328 5.2839 5.2949 5.3604 5.4523 5.4699 5.6011 5.6496 5.7282 5.7581 5.9472 5.9743 6.2199 6.2568 6.6265 6.6590 8.7954 8.8212 9.4629 9.4979 10.1793 10.2371 10.4207 10.4639 10.5544 10.6040 11.2813 11.2840 11.6956 11.7155 k = 0.0000-0.3387-0.1679 ( 6875 PWs) bands (ev): -8.6276 -8.6234 -8.6120 -8.5644 -8.5596 -8.4919 -8.4798 -8.4682 -7.9674 -7.9096 -7.8225 -7.7676 -7.7048 -7.6962 -7.6671 -7.6461 -7.6147 -7.6138 -7.5954 -7.5904 -6.7481 -6.7311 -5.9719 -5.9387 -5.7828 -5.7694 -5.6945 -5.6889 0.5305 0.5424 1.0653 1.1016 2.1021 2.1173 2.4618 2.5428 2.9223 2.9409 3.0679 3.0939 3.1703 3.2177 3.4319 3.4887 3.6341 3.6566 3.7353 3.7651 3.8383 3.9056 4.1035 4.1631 5.0679 5.1163 5.1564 5.1948 5.2301 5.2824 5.2865 5.3557 5.4470 5.4634 5.5921 5.6391 5.7202 5.7439 5.9534 5.9797 6.2627 6.2998 6.6513 6.6843 8.7378 8.7626 9.4532 9.4884 10.1779 10.2428 10.3871 10.4151 10.4582 10.5183 11.2914 11.2952 11.6912 11.7141 k = 0.0000-0.3226-0.1599 ( 6874 PWs) bands (ev): -8.6275 -8.6228 -8.6133 -8.5662 -8.5578 -8.4895 -8.4799 -8.4676 -7.9690 -7.9083 -7.8229 -7.7653 -7.7047 -7.6962 -7.6659 -7.6444 -7.6147 -7.6138 -7.5956 -7.5903 -6.7794 -6.7632 -5.9443 -5.9105 -5.7781 -5.7637 -5.6924 -5.6860 0.5125 0.5246 1.0619 1.0996 2.0946 2.1116 2.4668 2.5501 2.9389 2.9602 3.0793 3.1219 3.1790 3.2185 3.4205 3.4808 3.6243 3.6499 3.7352 3.7632 3.8432 3.9111 4.0984 4.1607 5.0663 5.1129 5.1545 5.1964 5.2274 5.2718 5.2868 5.3503 5.4423 5.4566 5.5837 5.6312 5.7133 5.7295 5.9589 5.9854 6.3077 6.3445 6.6768 6.7099 8.6778 8.7011 9.4454 9.4813 10.1743 10.2374 10.3039 10.3308 10.4208 10.4878 11.3005 11.3057 11.6866 11.7130 k = 0.0000-0.3065-0.1519 ( 6882 PWs) bands (ev): -8.6273 -8.6223 -8.6145 -8.5690 -8.5549 -8.4877 -8.4795 -8.4669 -7.9703 -7.9075 -7.8227 -7.7633 -7.7045 -7.6964 -7.6643 -7.6428 -7.6147 -7.6138 -7.5958 -7.5903 -6.8102 -6.7949 -5.9174 -5.8833 -5.7731 -5.7577 -5.6903 -5.6829 0.4940 0.5061 1.0594 1.0981 2.0875 2.1065 2.4731 2.5584 2.9374 2.9718 3.0905 3.1476 3.2023 3.2349 3.4109 3.4747 3.6138 3.6421 3.7332 3.7597 3.8479 3.9157 4.0924 4.1568 5.0647 5.1088 5.1509 5.1972 5.2246 5.2604 5.2875 5.3442 5.4385 5.4499 5.5753 5.6260 5.7072 5.7154 5.9645 5.9919 6.3542 6.3903 6.7028 6.7354 8.6149 8.6364 9.4399 9.4773 10.1602 10.1805 10.2148 10.2669 10.4202 10.4862 11.3082 11.3153 11.6835 11.7140 k = 0.0000-0.2903-0.1439 ( 6891 PWs) bands (ev): -8.6272 -8.6218 -8.6156 -8.5720 -8.5517 -8.4867 -8.4786 -8.4663 -7.9713 -7.9073 -7.8219 -7.7615 -7.7043 -7.6968 -7.6624 -7.6410 -7.6147 -7.6138 -7.5960 -7.5903 -6.8404 -6.8260 -5.8916 -5.8572 -5.7677 -5.7515 -5.6880 -5.6797 0.4753 0.4871 1.0580 1.0972 2.0811 2.1018 2.4807 2.5677 2.9228 2.9716 3.1075 3.1694 3.2362 3.2632 3.4034 3.4703 3.6027 3.6333 3.7293 3.7546 3.8525 3.9197 4.0853 4.1516 5.0628 5.1039 5.1455 5.1971 5.2214 5.2491 5.2882 5.3375 5.4354 5.4439 5.5669 5.6234 5.6996 5.7037 5.9715 5.9998 6.4020 6.4370 6.7289 6.7609 8.5490 8.5685 9.4362 9.4760 10.0622 10.1019 10.1747 10.2550 10.4341 10.4961 11.3143 11.3237 11.6828 11.7179 k = 0.0000-0.2742-0.1359 ( 6895 PWs) bands (ev): -8.6270 -8.6213 -8.6166 -8.5749 -8.5485 -8.4865 -8.4770 -8.4657 -7.9721 -7.9077 -7.8206 -7.7599 -7.7040 -7.6973 -7.6602 -7.6393 -7.6147 -7.6137 -7.5961 -7.5903 -6.8697 -6.8563 -5.8670 -5.8325 -5.7620 -5.7450 -5.6856 -5.6763 0.4564 0.4680 1.0576 1.0970 2.0755 2.0978 2.4896 2.5780 2.9012 2.9611 3.1303 3.1905 3.2740 3.2966 3.3985 3.4677 3.5914 3.6240 3.7241 3.7483 3.8570 3.9231 4.0773 4.1449 5.0606 5.0982 5.1387 5.1957 5.2175 5.2384 5.2891 5.3308 5.4330 5.4394 5.5584 5.6225 5.6868 5.6984 5.9811 6.0099 6.4504 6.4840 6.7549 6.7859 8.4797 8.4972 9.4333 9.4763 9.9536 9.9947 10.1749 10.2523 10.4562 10.5130 11.3185 11.3311 11.6850 11.7252 k = 0.0000-0.2581-0.1279 ( 6890 PWs) bands (ev): -8.6268 -8.6207 -8.6174 -8.5777 -8.5453 -8.4867 -8.4751 -8.4651 -7.9726 -7.9085 -7.8187 -7.7584 -7.7037 -7.6978 -7.6576 -7.6374 -7.6146 -7.6137 -7.5962 -7.5904 -6.8982 -6.8857 -5.8436 -5.8092 -5.7560 -5.7383 -5.6831 -5.6727 0.4377 0.4489 1.0582 1.0975 2.0707 2.0943 2.4997 2.5893 2.8762 2.9444 3.1563 3.2117 3.3090 3.3305 3.3976 3.4673 3.5803 3.6145 3.7181 3.7414 3.8614 3.9260 4.0686 4.1370 5.0578 5.0916 5.1308 5.1928 5.2121 5.2289 5.2901 5.3246 5.4306 5.4369 5.5500 5.6221 5.6740 5.6938 5.9945 6.0231 6.4989 6.5309 6.7808 6.8106 8.4071 8.4225 9.4296 9.4763 9.8477 9.8890 10.1830 10.2570 10.4838 10.5350 11.3208 11.3374 11.6897 11.7357 k = 0.0000-0.2419-0.1199 ( 6884 PWs) bands (ev): -8.6265 -8.6203 -8.6180 -8.5805 -8.5420 -8.4872 -8.4731 -8.4645 -7.9728 -7.9098 -7.8164 -7.7573 -7.7035 -7.6984 -7.6549 -7.6356 -7.6147 -7.6136 -7.5963 -7.5904 -6.9256 -6.9142 -5.8216 -5.7875 -5.7499 -5.7315 -5.6805 -5.6690 0.4193 0.4300 1.0598 1.0987 2.0668 2.0916 2.5110 2.6016 2.8501 2.9248 3.1837 3.2327 3.3326 3.3632 3.4031 3.4696 3.5700 3.6055 3.7121 3.7346 3.8659 3.9286 4.0593 4.1279 5.0541 5.0839 5.1227 5.1884 5.2042 5.2213 5.2915 5.3198 5.4283 5.4367 5.5417 5.6211 5.6623 5.6890 6.0129 6.0405 6.5472 6.5772 6.8063 6.8346 8.3312 8.3445 9.4237 9.4736 9.7459 9.7869 10.2008 10.2714 10.5150 10.5606 11.3214 11.3430 11.6961 11.7485 k = 0.0000-0.2258-0.1119 ( 6888 PWs) bands (ev): -8.6263 -8.6200 -8.6183 -8.5831 -8.5389 -8.4878 -8.4712 -8.4638 -7.9727 -7.9115 -7.8137 -7.7564 -7.7032 -7.6990 -7.6520 -7.6337 -7.6147 -7.6135 -7.5963 -7.5904 -6.9519 -6.9414 -5.8010 -5.7676 -5.7436 -5.7246 -5.6777 -5.6651 0.4014 0.4116 1.0623 1.1005 2.0639 2.0896 2.5232 2.6148 2.8241 2.9043 3.2110 3.2526 3.3412 3.3903 3.4156 3.4751 3.5616 3.5981 3.7075 3.7293 3.8704 3.9308 4.0496 4.1179 5.0490 5.0755 5.1149 5.1827 5.1936 5.2154 5.2933 5.3169 5.4265 5.4380 5.5335 5.6181 5.6523 5.6835 6.0369 6.0629 6.5948 6.6224 6.8314 6.8580 8.2521 8.2634 9.4139 9.4663 9.6493 9.6894 10.2298 10.2972 10.5488 10.5887 11.3203 11.3481 11.7022 11.7610 k = 0.0000-0.2097-0.1040 ( 6895 PWs) bands (ev): -8.6261 -8.6201 -8.6182 -8.5857 -8.5358 -8.4886 -8.4694 -8.4632 -7.9724 -7.9135 -7.8107 -7.7557 -7.7030 -7.6995 -7.6490 -7.6318 -7.6148 -7.6134 -7.5962 -7.5905 -6.9770 -6.9675 -5.7819 -5.7497 -5.7372 -5.7176 -5.6748 -5.6611 0.3841 0.3937 1.0658 1.1029 2.0621 2.0883 2.5363 2.6289 2.7991 2.8842 3.2375 3.2703 3.3406 3.4020 3.4345 3.4814 3.5565 3.5933 3.7063 3.7269 3.8750 3.9329 4.0400 4.1073 5.0420 5.0671 5.1078 5.1763 5.1810 5.2102 5.2957 5.3162 5.4255 5.4405 5.5254 5.6127 5.6441 5.6770 6.0672 6.0912 6.6410 6.6662 6.8559 6.8807 8.1700 8.1795 9.3992 9.4520 9.5595 9.5975 10.2707 10.3347 10.5848 10.6184 11.3178 11.3529 11.7047 11.7602 k = 0.0000-0.1935-0.0960 ( 6899 PWs) bands (ev): -8.6259 -8.6203 -8.6178 -8.5881 -8.5327 -8.4894 -8.4677 -8.4626 -7.9718 -7.9157 -7.8075 -7.7553 -7.7028 -7.7000 -7.6459 -7.6300 -7.6149 -7.6133 -7.5961 -7.5906 -7.0009 -6.9922 -5.7643 -5.7341 -5.7308 -5.7104 -5.6715 -5.6571 0.3677 0.3766 1.0700 1.1058 2.0613 2.0878 2.5501 2.6436 2.7758 2.8653 3.2619 3.2844 3.3358 3.4002 3.4530 3.4836 3.5558 3.5913 3.7107 3.7293 3.8798 3.9348 4.0307 4.0962 5.0331 5.0596 5.1012 5.1669 5.1699 5.2052 5.2988 5.3174 5.4254 5.4438 5.5172 5.6054 5.6372 5.6695 6.1038 6.1258 6.6855 6.7080 6.8797 6.9026 8.0853 8.0931 9.3782 9.4258 9.4821 9.5129 10.3230 10.3833 10.6224 10.6493 11.3145 11.3580 11.6986 11.7524 k = 0.0000-0.1774-0.0880 ( 6898 PWs) bands (ev): -8.6257 -8.6207 -8.6173 -8.5904 -8.5298 -8.4903 -8.4661 -8.4620 -7.9710 -7.9182 -7.8041 -7.7551 -7.7026 -7.7003 -7.6427 -7.6281 -7.6150 -7.6131 -7.5959 -7.5906 -7.0233 -7.0155 -5.7484 -5.7247 -5.7207 -5.7031 -5.6677 -5.6529 0.3521 0.3604 1.0748 1.1090 2.0616 2.0880 2.5645 2.6587 2.7548 2.8484 3.2819 3.2934 3.3301 3.3907 3.4646 3.4809 3.5586 3.5913 3.7217 3.7373 3.8849 3.9367 4.0220 4.0851 5.0230 5.0530 5.0950 5.1524 5.1636 5.2000 5.3027 5.3205 5.4262 5.4480 5.5089 5.5973 5.6307 5.6609 6.1468 6.1668 6.7277 6.7474 6.9029 6.9236 7.9981 8.0044 9.3470 9.3738 9.4314 9.4409 10.3849 10.4410 10.6614 10.6808 11.3109 11.3638 11.6836 11.7431 k = 0.0000-0.1613-0.0800 ( 6902 PWs) bands (ev): -8.6255 -8.6210 -8.6167 -8.5926 -8.5269 -8.4912 -8.4646 -8.4614 -7.9700 -7.9208 -7.8007 -7.7552 -7.7024 -7.7006 -7.6397 -7.6262 -7.6152 -7.6130 -7.5956 -7.5907 -7.0442 -7.0372 -5.7341 -5.7185 -5.7102 -5.6959 -5.6632 -5.6488 0.3375 0.3452 1.0802 1.1125 2.0628 2.0887 2.5791 2.6732 2.7374 2.8339 3.2876 3.3021 3.3266 3.3759 3.4655 3.4801 3.5635 3.5924 3.7382 3.7505 3.8903 3.9386 4.0142 4.0742 5.0127 5.0469 5.0890 5.1375 5.1580 5.1946 5.3073 5.3253 5.4275 5.4528 5.5002 5.5892 5.6240 5.6511 6.1959 6.2142 6.7672 6.7839 6.9252 6.9439 7.9087 7.9138 9.2948 9.3132 9.3817 9.4037 10.4535 10.5050 10.7016 10.7128 11.3085 11.3709 11.6641 11.7258 k = 0.0000-0.1452-0.0720 ( 6902 PWs) bands (ev): -8.6253 -8.6212 -8.6160 -8.5947 -8.5241 -8.4922 -8.4633 -8.4609 -7.9687 -7.9236 -7.7971 -7.7555 -7.7023 -7.7008 -7.6367 -7.6244 -7.6153 -7.6128 -7.5952 -7.5907 -7.0636 -7.0573 -5.7215 -5.7124 -5.7020 -5.6894 -5.6577 -5.6446 0.3240 0.3310 1.0860 1.1161 2.0649 2.0900 2.5936 2.6841 2.7266 2.8222 3.2783 3.3075 3.3263 3.3570 3.4605 3.4823 3.5702 3.5943 3.7574 3.7674 3.8961 3.9404 4.0075 4.0636 5.0032 5.0411 5.0829 5.1228 5.1531 5.1890 5.3127 5.3314 5.4292 5.4582 5.4912 5.5818 5.6172 5.6403 6.2510 6.2676 6.8036 6.8173 6.9466 6.9632 7.8175 7.8217 9.2312 9.2531 9.3444 9.3747 10.5248 10.5716 10.7400 10.7485 11.3089 11.3803 11.6437 11.7026 k = 0.0000-0.1290-0.0640 ( 6904 PWs) bands (ev): -8.6251 -8.6215 -8.6154 -8.5967 -8.5215 -8.4933 -8.4622 -8.4603 -7.9672 -7.9264 -7.7936 -7.7561 -7.7023 -7.7010 -7.6338 -7.6227 -7.6155 -7.6126 -7.5948 -7.5907 -7.0812 -7.0757 -5.7107 -5.7065 -5.6952 -5.6843 -5.6514 -5.6405 0.3118 0.3181 1.0920 1.1197 2.0678 2.0916 2.6076 2.6857 2.7282 2.8138 3.2632 3.3030 3.3249 3.3351 3.4579 3.4847 3.5784 3.5974 3.7767 3.7860 3.9026 3.9424 4.0021 4.0537 4.9950 5.0355 5.0766 5.1084 5.1492 5.1834 5.3187 5.3387 5.4311 5.4640 5.4818 5.5753 5.6101 5.6288 6.3116 6.3267 6.8364 6.8472 6.9670 6.9817 7.7247 7.7285 9.1707 9.1933 9.3152 9.3463 10.5938 10.6365 10.7738 10.7911 11.3147 11.3929 11.6248 11.6791 k = 0.0000-0.1129-0.0560 ( 6909 PWs) bands (ev): -8.6248 -8.6217 -8.6147 -8.5986 -8.5189 -8.4944 -8.4612 -8.4598 -7.9655 -7.9293 -7.7901 -7.7569 -7.7022 -7.7010 -7.6312 -7.6211 -7.6156 -7.6124 -7.5943 -7.5907 -7.0971 -7.0923 -5.7029 -5.6996 -5.6894 -5.6806 -5.6449 -5.6366 0.3009 0.3064 1.0981 1.1230 2.0712 2.0934 2.6208 2.6799 2.7399 2.8089 3.2452 3.2910 3.3117 3.3178 3.4601 3.4876 3.5875 3.6017 3.7945 3.8042 3.9096 3.9444 3.9979 4.0444 4.9884 5.0302 5.0703 5.0946 5.1462 5.1779 5.3255 5.3469 5.4328 5.4687 5.4734 5.5699 5.6028 5.6168 6.3774 6.3911 6.8653 6.8734 6.9862 6.9990 7.6308 7.6347 9.1163 9.1377 9.2898 9.3189 10.6550 10.6951 10.8085 10.8357 11.3284 11.4096 11.6096 11.6586 k = 0.0000-0.0968-0.0480 ( 6913 PWs) bands (ev): -8.6246 -8.6219 -8.6140 -8.6003 -8.5165 -8.4956 -8.4604 -8.4594 -7.9637 -7.9323 -7.7867 -7.7580 -7.7022 -7.7011 -7.6288 -7.6198 -7.6157 -7.6122 -7.5938 -7.5907 -7.1110 -7.1069 -5.6976 -5.6922 -5.6844 -5.6779 -5.6387 -5.6328 0.2913 0.2961 1.1041 1.1260 2.0750 2.0951 2.6325 2.6736 2.7547 2.8076 3.2260 3.2720 3.2910 3.3045 3.4660 3.4912 3.5969 3.6070 3.8101 3.8205 3.9171 3.9466 3.9952 4.0360 4.9838 5.0252 5.0641 5.0817 5.1442 5.1725 5.3330 5.3558 5.4340 5.4608 5.4775 5.5657 5.5948 5.6051 6.4479 6.4601 6.8900 6.8957 7.0039 7.0151 7.5361 7.5405 9.0687 9.0880 9.2672 9.2932 10.7048 10.7420 10.8471 10.8783 11.3519 11.4302 11.6014 11.6434 k = 0.0000-0.0806-0.0400 ( 6919 PWs) bands (ev): -8.6244 -8.6221 -8.6133 -8.6020 -8.5141 -8.4968 -8.4597 -8.4590 -7.9616 -7.9352 -7.7834 -7.7593 -7.7021 -7.7011 -7.6266 -7.6188 -7.6155 -7.6120 -7.5933 -7.5907 -7.1230 -7.1196 -5.6931 -5.6862 -5.6800 -5.6758 -5.6332 -5.6294 0.2832 0.2872 1.1098 1.1285 2.0789 2.0965 2.6424 2.6690 2.7697 2.8097 3.2068 3.2481 3.2738 3.2881 3.4736 3.4949 3.6059 3.6128 3.8233 3.8339 3.9249 3.9488 3.9938 4.0284 4.9811 5.0204 5.0579 5.0700 5.1430 5.1675 5.3410 5.3652 5.4344 5.4504 5.4844 5.5628 5.5852 5.5952 6.5225 6.5334 6.9104 6.9142 7.0200 7.0295 7.4413 7.4464 9.0283 9.0450 9.2477 9.2699 10.7432 10.7752 10.8881 10.9150 11.3841 11.4513 11.6053 11.6364 k = 0.0000-0.0645-0.0320 ( 6921 PWs) bands (ev): -8.6241 -8.6223 -8.6125 -8.6035 -8.5119 -8.4981 -8.4591 -8.4586 -7.9595 -7.9382 -7.7802 -7.7608 -7.7020 -7.7012 -7.6248 -7.6184 -7.6150 -7.6119 -7.5927 -7.5906 -7.1329 -7.1301 -5.6893 -5.6819 -5.6762 -5.6740 -5.6286 -5.6263 0.2766 0.2798 1.1151 1.1303 2.0829 2.0975 2.6501 2.6665 2.7837 2.8141 3.1888 3.2235 3.2589 3.2713 3.4814 3.4983 3.6141 3.6185 3.8340 3.8439 3.9326 3.9509 3.9936 4.0216 4.9803 5.0157 5.0522 5.0600 5.1427 5.1628 5.3497 5.3746 5.4338 5.4398 5.4918 5.5611 5.5738 5.5876 6.6006 6.6102 6.9265 6.9289 7.0340 7.0419 7.3470 7.3530 8.9953 9.0090 9.2316 9.2496 10.7718 10.7972 10.9256 10.9439 11.4186 11.4671 11.6269 11.6425 k = 0.0000-0.0484-0.0240 ( 6918 PWs) bands (ev): -8.6239 -8.6225 -8.6116 -8.6049 -8.5098 -8.4995 -8.4587 -8.4583 -7.9571 -7.9411 -7.7772 -7.7625 -7.7019 -7.7012 -7.6232 -7.6184 -7.6143 -7.6118 -7.5921 -7.5906 -7.1406 -7.1385 -5.6860 -5.6794 -5.6732 -5.6722 -5.6250 -5.6238 0.2714 0.2739 1.1198 1.1314 2.0866 2.0980 2.6556 2.6657 2.7964 2.8194 3.1735 3.2009 3.2464 3.2562 3.4884 3.5009 3.6209 3.6236 3.8423 3.8508 3.9395 3.9527 3.9946 4.0157 4.9814 5.0108 5.0471 5.0521 5.1431 5.1585 5.3588 5.3834 5.4295 5.4319 5.4996 5.5589 5.5636 5.5814 6.6814 6.6896 6.9376 6.9400 7.0456 7.0517 7.2545 7.2614 8.9699 8.9804 9.2191 9.2328 10.7926 10.8113 10.9551 10.9652 11.4461 11.4749 11.6637 11.6697 k = 0.0000-0.0323-0.0160 ( 6924 PWs) bands (ev): -8.6237 -8.6227 -8.6107 -8.6063 -8.5079 -8.5010 -8.4584 -8.4581 -7.9547 -7.9439 -7.7743 -7.7645 -7.7018 -7.7013 -7.6219 -7.6188 -7.6136 -7.6119 -7.5917 -7.5907 -7.1460 -7.1446 -5.6833 -5.6785 -5.6710 -5.6705 -5.6225 -5.6219 0.2679 0.2695 1.1238 1.1317 2.0900 2.0978 2.6595 2.6657 2.8075 2.8235 3.1626 3.1818 3.2372 3.2440 3.4942 3.5024 3.6261 3.6275 3.8486 3.8547 3.9453 3.9537 3.9964 4.0106 4.9842 5.0053 5.0432 5.0465 5.1443 5.1546 5.3683 5.3904 5.4209 5.4286 5.5080 5.5488 5.5627 5.5760 6.7635 6.7700 6.9425 6.9469 7.0544 7.0584 7.1662 7.1740 8.9522 8.9592 9.2107 9.2199 10.8072 10.8194 10.9752 10.9801 11.4621 11.4771 11.7064 11.7183 k = 0.0000-0.0161-0.0080 ( 6916 PWs) bands (ev): -8.6234 -8.6229 -8.6097 -8.6075 -8.5060 -8.5025 -8.4581 -8.4580 -7.9521 -7.9467 -7.7716 -7.7666 -7.7016 -7.7014 -7.6208 -7.6193 -7.6129 -7.6121 -7.5913 -7.5908 -7.1492 -7.1485 -5.6812 -5.6787 -5.6696 -5.6693 -5.6210 -5.6207 0.2659 0.2667 1.1271 1.1310 2.0929 2.0969 2.6624 2.6655 2.8165 2.8249 3.1575 3.1675 3.2321 3.2356 3.4985 3.5025 3.6293 3.6300 3.8530 3.8562 3.9497 3.9537 3.9991 4.0061 4.9884 4.9994 5.0411 5.0429 5.1460 5.1512 5.3778 5.3921 5.4170 5.4242 5.5171 5.5376 5.5646 5.5714 6.8435 6.8481 6.9376 6.9447 7.0591 7.0611 7.0920 7.0988 8.9422 8.9458 9.2065 9.2111 10.8166 10.8226 10.9867 10.9888 11.4698 11.4763 11.7560 11.7670 k = 0.0000 0.0000 0.0000 ( 6911 PWs) bands (ev): -8.6232 -8.6232 -8.6086 -8.6086 -8.5041 -8.5041 -8.4580 -8.4580 -7.9494 -7.9494 -7.7690 -7.7690 -7.7015 -7.7015 -7.6199 -7.6199 -7.6124 -7.6124 -7.5909 -7.5909 -7.1500 -7.1500 -5.6796 -5.6796 -5.6690 -5.6690 -5.6204 -5.6204 0.2655 0.2655 1.1295 1.1295 2.0952 2.0952 2.6644 2.6644 2.8225 2.8225 3.1592 3.1592 3.2315 3.2315 3.5013 3.5013 3.6306 3.6306 3.8556 3.8556 3.9524 3.9524 4.0023 4.0023 4.9936 4.9936 5.0410 5.0410 5.1484 5.1484 5.3866 5.3866 5.4195 5.4195 5.5270 5.5270 5.5676 5.5676 6.9079 6.9079 6.9144 6.9144 7.0527 7.0527 7.0690 7.0690 8.9401 8.9401 9.2066 9.2066 10.8216 10.8216 10.9911 10.9911 11.4739 11.4739 11.7942 11.7942 k = 0.0000 0.0000 0.0000 ( 6911 PWs) bands (ev): -8.6232 -8.6232 -8.6086 -8.6086 -8.5041 -8.5041 -8.4580 -8.4580 -7.9494 -7.9494 -7.7690 -7.7690 -7.7015 -7.7015 -7.6199 -7.6199 -7.6124 -7.6124 -7.5909 -7.5909 -7.1500 -7.1500 -5.6796 -5.6796 -5.6690 -5.6690 -5.6204 -5.6204 0.2655 0.2655 1.1295 1.1295 2.0952 2.0952 2.6644 2.6644 2.8225 2.8225 3.1592 3.1592 3.2315 3.2315 3.5013 3.5013 3.6306 3.6306 3.8556 3.8556 3.9524 3.9524 4.0023 4.0023 4.9936 4.9936 5.0410 5.0410 5.1484 5.1484 5.3866 5.3866 5.4195 5.4195 5.5270 5.5270 5.5676 5.5676 6.9079 6.9079 6.9144 6.9144 7.0527 7.0527 7.0690 7.0690 8.9401 8.9401 9.2066 9.2066 10.8216 10.8216 10.9911 10.9911 11.4739 11.4739 11.7942 11.7942 k = 0.0161-0.0000 0.0080 ( 6916 PWs) bands (ev): -8.6234 -8.6229 -8.6096 -8.6075 -8.5059 -8.5026 -8.4582 -8.4579 -7.9522 -7.9467 -7.7716 -7.7666 -7.7018 -7.7013 -7.6210 -7.6191 -7.6127 -7.6122 -7.5913 -7.5907 -7.1492 -7.1484 -5.6806 -5.6791 -5.6698 -5.6692 -5.6210 -5.6207 0.2659 0.2667 1.1271 1.1310 2.0930 2.0968 2.6625 2.6654 2.8165 2.8248 3.1575 3.1675 3.2321 3.2354 3.4986 3.5025 3.6294 3.6299 3.8530 3.8565 3.9502 3.9532 3.9993 4.0057 4.9879 4.9999 5.0411 5.0429 5.1460 5.1513 5.3776 5.3927 5.4157 5.4252 5.5177 5.5370 5.5645 5.5715 6.8424 6.8484 6.9397 6.9444 7.0592 7.0607 7.0927 7.0973 8.9422 8.9458 9.2065 9.2111 10.8160 10.8228 10.9867 10.9885 11.4680 11.4782 11.7639 11.7718 k = 0.0323-0.0000 0.0160 ( 6924 PWs) bands (ev): -8.6236 -8.6228 -8.6105 -8.6064 -8.5078 -8.5010 -8.4585 -8.4580 -7.9548 -7.9438 -7.7745 -7.7643 -7.7021 -7.7011 -7.6223 -7.6186 -7.6132 -7.6121 -7.5917 -7.5906 -7.1461 -7.1445 -5.6822 -5.6793 -5.6714 -5.6703 -5.6226 -5.6219 0.2679 0.2696 1.1238 1.1317 2.0901 2.0977 2.6598 2.6657 2.8074 2.8234 3.1623 3.1819 3.2371 3.2436 3.4944 3.5023 3.6260 3.6271 3.8490 3.8557 3.9463 3.9527 3.9966 4.0095 4.9834 5.0062 5.0435 5.0463 5.1442 5.1547 5.3681 5.3910 5.4188 5.4304 5.5090 5.5476 5.5626 5.5762 6.7625 6.7704 6.9439 6.9483 7.0544 7.0580 7.1661 7.1725 8.9522 8.9593 9.2108 9.2200 10.8057 10.8192 10.9750 10.9789 11.4588 11.4813 11.7187 11.7278 k = 0.0484-0.0000 0.0240 ( 6918 PWs) bands (ev): -8.6239 -8.6226 -8.6113 -8.6051 -8.5098 -8.4996 -8.4589 -8.4581 -7.9572 -7.9409 -7.7774 -7.7623 -7.7023 -7.7009 -7.6238 -7.6182 -7.6136 -7.6121 -7.5922 -7.5906 -7.1408 -7.1383 -5.6842 -5.6804 -5.6739 -5.6721 -5.6252 -5.6238 0.2715 0.2740 1.1198 1.1315 2.0868 2.0978 2.6559 2.6659 2.7961 2.8194 3.1728 3.2011 3.2459 3.2556 3.4888 3.5009 3.6207 3.6227 3.8435 3.8528 3.9409 3.9511 3.9945 4.0141 4.9802 5.0118 5.0482 5.0514 5.1430 5.1587 5.3587 5.3835 5.4272 5.4344 5.5010 5.5579 5.5629 5.5816 6.6806 6.6899 6.9382 6.9427 7.0454 7.0512 7.2538 7.2599 8.9699 8.9804 9.2194 9.2330 10.7902 10.8106 10.9543 10.9624 11.4432 11.4821 11.6747 11.6868 k = 0.0645-0.0000 0.0320 ( 6921 PWs) bands (ev): -8.6241 -8.6224 -8.6121 -8.6038 -8.5119 -8.4982 -8.4594 -8.4583 -7.9596 -7.9379 -7.7806 -7.7604 -7.7026 -7.7007 -7.6256 -7.6182 -7.6141 -7.6122 -7.5928 -7.5906 -7.1331 -7.1299 -5.6867 -5.6828 -5.6772 -5.6743 -5.6289 -5.6264 0.2767 0.2800 1.1150 1.1304 2.0830 2.0973 2.6502 2.6672 2.7830 2.8143 3.1875 3.2239 3.2577 3.2706 3.4820 3.4984 3.6136 3.6171 3.8362 3.8473 3.9340 3.9488 3.9932 4.0194 4.9788 5.0168 5.0541 5.0589 5.1425 5.1631 5.3497 5.3742 5.4356 5.4384 5.4934 5.5612 5.5718 5.5878 6.6000 6.6106 6.9270 6.9322 7.0335 7.0412 7.3460 7.3515 8.9953 9.0091 9.2320 9.2500 10.7685 10.7959 10.9237 10.9386 11.4197 11.4785 11.6371 11.6622 k = 0.0806-0.0000 0.0400 ( 6919 PWs) bands (ev): -8.6244 -8.6222 -8.6128 -8.6023 -8.5141 -8.4970 -8.4600 -8.4587 -7.9618 -7.9349 -7.7839 -7.7588 -7.7028 -7.7006 -7.6276 -7.6186 -7.6144 -7.6123 -7.5934 -7.5906 -7.1233 -7.1193 -5.6898 -5.6869 -5.6813 -5.6764 -5.6335 -5.6296 0.2834 0.2876 1.1097 1.1286 2.0791 2.0961 2.6424 2.6702 2.7686 2.8102 3.2049 3.2487 3.2716 3.2872 3.4744 3.4951 3.6052 3.6107 3.8270 3.8390 3.9260 3.9460 3.9929 4.0257 4.9793 5.0214 5.0604 5.0691 5.1429 5.1680 5.3412 5.3645 5.4373 5.4482 5.4863 5.5632 5.5831 5.5950 6.5221 6.5339 6.9113 6.9175 7.0192 7.0286 7.4399 7.4449 9.0284 9.0451 9.2483 9.2705 10.7392 10.7737 10.8840 10.9065 11.3919 11.4681 11.6148 11.6543 k = 0.0968-0.0000 0.0480 ( 6913 PWs) bands (ev): -8.6246 -8.6220 -8.6134 -8.6006 -8.5164 -8.4958 -8.4607 -8.4591 -7.9638 -7.9319 -7.7873 -7.7574 -7.7030 -7.7005 -7.6299 -7.6195 -7.6145 -7.6124 -7.5940 -7.5907 -7.1114 -7.1066 -5.6939 -5.6925 -5.6861 -5.6786 -5.6392 -5.6333 0.2917 0.2966 1.1040 1.1261 2.0752 2.0946 2.6324 2.6754 2.7532 2.8085 3.2235 3.2725 3.2879 3.3033 3.4669 3.4913 3.5958 3.6042 3.8155 3.8276 3.9177 3.9432 3.9938 4.0330 4.9818 5.0260 5.0669 5.0812 5.1440 5.1732 5.3333 5.3549 5.4371 5.4584 5.4796 5.5663 5.5935 5.6039 6.4477 6.4608 6.8913 6.8989 7.0028 7.0139 7.5345 7.5391 9.0689 9.0883 9.2682 9.2942 10.7003 10.7410 10.8398 10.8666 11.3668 11.4521 11.6100 11.6588 k = 0.1129-0.0000 0.0560 ( 6909 PWs) bands (ev): -8.6248 -8.6218 -8.6141 -8.5989 -8.5189 -8.4946 -8.4615 -8.4596 -7.9657 -7.9288 -7.7908 -7.7563 -7.7031 -7.7004 -7.6324 -7.6208 -7.6144 -7.6125 -7.5945 -7.5907 -7.0975 -7.0919 -5.7012 -5.6970 -5.6915 -5.6812 -5.6457 -5.6373 0.3014 0.3071 1.0980 1.1232 2.0714 2.0928 2.6206 2.6823 2.7381 2.8101 3.2421 3.2900 3.3089 3.3165 3.4609 3.4877 3.5860 3.5979 3.8016 3.8136 3.9094 3.9406 3.9962 4.0411 4.9863 5.0308 5.0735 5.0944 5.1461 5.1787 5.3260 5.3458 5.4361 5.4676 5.4741 5.5708 5.6023 5.6144 6.3775 6.3919 6.8671 6.8764 6.9847 6.9975 7.6289 7.6333 9.1165 9.1381 9.2911 9.3204 10.6501 10.6944 10.7977 10.8217 11.3490 11.4353 11.6178 11.6717 k = 0.1290-0.0000 0.0640 ( 6904 PWs) bands (ev): -8.6251 -8.6216 -8.6147 -8.5970 -8.5214 -8.4935 -8.4624 -8.4602 -7.9673 -7.9258 -7.7944 -7.7554 -7.7032 -7.7004 -7.6351 -7.6223 -7.6143 -7.6126 -7.5950 -7.5907 -7.0817 -7.0753 -5.7108 -5.7016 -5.6976 -5.6845 -5.6526 -5.6415 0.3125 0.3189 1.0919 1.1198 2.0680 2.0910 2.6075 2.6886 2.7260 2.8153 3.2596 3.3003 3.3239 3.3327 3.4583 3.4845 3.5763 3.5925 3.7856 3.7979 3.9016 3.9382 4.0000 4.0502 4.9926 5.0358 5.0801 5.1086 5.1492 5.1844 5.3194 5.3375 5.4344 5.4660 5.4795 5.5764 5.6101 5.6257 6.3120 6.3278 6.8385 6.8502 6.9652 6.9799 7.7226 7.7272 9.1711 9.1938 9.3169 9.3485 10.5886 10.6350 10.7599 10.7763 11.3394 11.4210 11.6333 11.6899 k = 0.1452-0.0000 0.0720 ( 6902 PWs) bands (ev): -8.6253 -8.6213 -8.6153 -8.5951 -8.5241 -8.4925 -8.4634 -8.4608 -7.9688 -7.9229 -7.7980 -7.7547 -7.7032 -7.7004 -7.6379 -7.6241 -7.6142 -7.6128 -7.5954 -7.5907 -7.0641 -7.0569 -5.7220 -5.7067 -5.7046 -5.6888 -5.6595 -5.6460 0.3249 0.3321 1.0858 1.1162 2.0652 2.0893 2.5934 2.6863 2.7255 2.8240 3.2743 3.3029 3.3266 3.3545 3.4595 3.4821 3.5673 3.5881 3.7681 3.7818 3.8945 3.9359 4.0052 4.0600 5.0006 5.0410 5.0867 5.1233 5.1533 5.1902 5.3134 5.3301 5.4326 5.4605 5.4887 5.5832 5.6175 5.6368 6.2516 6.2689 6.8059 6.8202 6.9446 6.9612 7.8151 7.8204 9.2318 9.2541 9.3465 9.3777 10.5192 10.5681 10.7230 10.7346 11.3362 11.4096 11.6528 11.7109 k = 0.1613-0.0000 0.0800 ( 6902 PWs) bands (ev): -8.6256 -8.6211 -8.6159 -8.5930 -8.5268 -8.4915 -8.4646 -8.4615 -7.9701 -7.9200 -7.8017 -7.7544 -7.7032 -7.7004 -7.6409 -7.6259 -7.6141 -7.6129 -7.5958 -7.5907 -7.0449 -7.0367 -5.7348 -5.7134 -5.7118 -5.6944 -5.6657 -5.6505 0.3385 0.3464 1.0799 1.1126 2.0631 2.0880 2.5789 2.6742 2.7378 2.8359 3.2835 3.2961 3.3281 3.3733 3.4617 3.4806 3.5594 3.5849 3.7507 3.7672 3.8881 3.9339 4.0117 4.0704 5.0100 5.0465 5.0931 5.1384 5.1585 5.1959 5.3082 5.3240 5.4309 5.4553 5.4977 5.5908 5.6245 5.6473 6.1968 6.2156 6.7697 6.7867 6.9228 6.9416 7.9062 7.9124 9.2965 9.3149 9.3834 9.4078 10.4473 10.4992 10.6838 10.6984 11.3371 11.4007 11.6738 11.7314 k = 0.1774-0.0000 0.0880 ( 6898 PWs) bands (ev): -8.6258 -8.6207 -8.6165 -8.5908 -8.5297 -8.4906 -8.4660 -8.4622 -7.9711 -7.9172 -7.8053 -7.7542 -7.7031 -7.7005 -7.6439 -7.6279 -7.6141 -7.6130 -7.5960 -7.5907 -7.0240 -7.0149 -5.7492 -5.7238 -5.7177 -5.7008 -5.6709 -5.6550 0.3533 0.3619 1.0744 1.1090 2.0618 2.0871 2.5644 2.6593 2.7560 2.8507 3.2779 3.2870 3.3321 3.3882 3.4582 3.4810 3.5533 3.5832 3.7356 3.7557 3.8823 3.9320 4.0194 4.0813 5.0203 5.0521 5.0995 5.1535 5.1644 5.2015 5.3037 5.3193 5.4297 5.4506 5.5065 5.5991 5.6314 5.6569 6.1479 6.1684 6.7302 6.7500 6.9002 6.9212 7.9955 8.0029 9.3521 9.3757 9.4339 9.4435 10.3777 10.4328 10.6440 10.6647 11.3400 11.3932 11.6935 11.7467 k = 0.1935-0.0000 0.0960 ( 6899 PWs) bands (ev): -8.6260 -8.6203 -8.6170 -8.5884 -8.5327 -8.4898 -8.4675 -8.4629 -7.9719 -7.9146 -7.8088 -7.7544 -7.7029 -7.7005 -7.6469 -7.6298 -7.6141 -7.6130 -7.5962 -7.5906 -7.0016 -6.9917 -5.7653 -5.7367 -5.7238 -5.7076 -5.6751 -5.6596 0.3691 0.3784 1.0694 1.1056 2.0615 2.0869 2.5502 2.6440 2.7775 2.8680 3.2572 3.2785 3.3385 3.3982 3.4456 3.4803 3.5504 3.5836 3.7250 3.7485 3.8769 3.9301 4.0281 4.0923 5.0306 5.0581 5.1059 5.1682 5.1712 5.2069 5.2998 5.3162 5.4291 5.4467 5.5149 5.6073 5.6382 5.6654 6.1051 6.1275 6.6879 6.7105 6.8768 6.8998 8.0826 8.0915 9.3857 9.4321 9.4834 9.5132 10.3147 10.3726 10.6051 10.6318 11.3432 11.3866 11.7078 11.7568 k = 0.2097-0.0000 0.1040 ( 6895 PWs) bands (ev): -8.6262 -8.6199 -8.6176 -8.5860 -8.5358 -8.4890 -8.4692 -8.4636 -7.9724 -7.9122 -7.8122 -7.7548 -7.7027 -7.7005 -7.6498 -7.6318 -7.6141 -7.6130 -7.5963 -7.5906 -6.9778 -6.9669 -5.7829 -5.7521 -5.7300 -5.7145 -5.6787 -5.6640 0.3858 0.3958 1.0650 1.1026 2.0623 2.0874 2.5365 2.6293 2.8014 2.8873 3.2326 3.2644 3.3447 3.4013 3.4249 3.4746 3.5522 3.5869 3.7195 3.7459 3.8719 3.9282 4.0374 4.1033 5.0400 5.0648 5.1125 5.1773 5.1831 5.2120 5.2968 5.3151 5.4294 5.4435 5.5233 5.6146 5.6456 5.6730 6.0687 6.0930 6.6433 6.6685 6.8527 6.8777 8.1673 8.1779 9.4087 9.4621 9.5593 9.5976 10.2611 10.3216 10.5673 10.5994 11.3455 11.3802 11.7133 11.7666 k = 0.2258-0.0000 0.1119 ( 6888 PWs) bands (ev): -8.6264 -8.6194 -8.6180 -8.5834 -8.5389 -8.4883 -8.4709 -8.4643 -7.9727 -7.9101 -7.8153 -7.7555 -7.7025 -7.7005 -7.6526 -7.6338 -7.6141 -7.6130 -7.5964 -7.5905 -6.9528 -6.9409 -5.8020 -5.7697 -5.7362 -5.7212 -5.6819 -5.6683 0.4033 0.4139 1.0614 1.1000 2.0641 2.0887 2.5235 2.6153 2.8269 2.9079 3.2058 3.2464 3.3475 3.3911 3.4020 3.4671 3.5584 3.5933 3.7186 3.7472 3.8671 3.9262 4.0470 4.1139 5.0476 5.0725 5.1195 5.1839 5.1963 5.2170 5.2944 5.3159 5.4306 5.4413 5.5316 5.6198 5.6545 5.6795 6.0386 6.0648 6.5969 6.6245 6.8279 6.8548 8.2494 8.2617 9.4254 9.4789 9.6487 9.6894 10.2190 10.2818 10.5308 10.5680 11.3464 11.3739 11.7120 11.7683 k = 0.2419-0.0000 0.1199 ( 6884 PWs) bands (ev): -8.6266 -8.6192 -8.6181 -8.5807 -8.5421 -8.4877 -8.4728 -8.4649 -7.9727 -7.9082 -7.8182 -7.7565 -7.7024 -7.7003 -7.6553 -7.6358 -7.6142 -7.6130 -7.5963 -7.5904 -6.9265 -6.9136 -5.8227 -5.7894 -5.7424 -5.7277 -5.6849 -5.6725 0.4215 0.4327 1.0586 1.0980 2.0670 2.0907 2.5114 2.6022 2.8535 2.9291 3.1779 3.2260 3.3400 3.3605 3.3907 3.4630 3.5674 3.6020 3.7208 3.7510 3.8624 3.9241 4.0567 4.1238 5.0531 5.0808 5.1268 5.1895 5.2077 5.2226 5.2927 5.3189 5.4327 5.4403 5.5399 5.6228 5.6653 5.6853 6.0147 6.0423 6.5491 6.5790 6.8025 6.8312 8.3284 8.3427 9.4371 9.4885 9.7450 9.7868 10.1893 10.2544 10.4958 10.5381 11.3454 11.3672 11.7083 11.7589 k = 0.2581-0.0000 0.1279 ( 6890 PWs) bands (ev): -8.6267 -8.6196 -8.6176 -8.5780 -8.5453 -8.4873 -8.4748 -8.4656 -7.9725 -7.9068 -7.8207 -7.7578 -7.7024 -7.7000 -7.6579 -7.6377 -7.6143 -7.6130 -7.5963 -7.5904 -6.8991 -6.8853 -5.8448 -5.8109 -5.7485 -5.7342 -5.6876 -5.6765 0.4401 0.4518 1.0568 1.0966 2.0709 2.0935 2.5004 2.5901 2.8804 2.9497 3.1499 3.2043 3.3134 3.3261 3.3887 3.4628 3.5778 3.6120 3.7245 3.7560 3.8578 3.9216 4.0660 4.1328 5.0570 5.0889 5.1342 5.1938 5.2161 5.2300 5.2915 5.3237 5.4353 5.4409 5.5482 5.6240 5.6777 5.6905 5.9964 6.0249 6.5005 6.5323 6.7767 6.8068 8.4043 8.4206 9.4446 9.4930 9.8463 9.8887 10.1716 10.2391 10.4630 10.5104 11.3423 11.3600 11.7050 11.7492 k = 0.2742-0.0000 0.1359 ( 6895 PWs) bands (ev): -8.6269 -8.6201 -8.6168 -8.5751 -8.5486 -8.4871 -8.4767 -8.4663 -7.9719 -7.9059 -7.8227 -7.7593 -7.7025 -7.6997 -7.6602 -7.6397 -7.6144 -7.6130 -7.5962 -7.5903 -6.8707 -6.8559 -5.8682 -5.8341 -5.7544 -5.7405 -5.6903 -5.6804 0.4591 0.4712 1.0559 1.0959 2.0758 2.0970 2.4905 2.5791 2.9064 2.9677 3.1228 3.1822 3.2751 3.2910 3.3931 3.4652 3.5890 3.6222 3.7284 3.7611 3.8532 3.9187 4.0747 4.1406 5.0599 5.0964 5.1413 5.1966 5.2213 5.2398 5.2906 5.3300 5.4377 5.4438 5.5566 5.6249 5.6909 5.6959 5.9830 6.0116 6.4515 6.4851 6.7504 6.7819 8.4769 8.4953 9.4494 9.4944 9.9514 9.9942 10.1644 10.2350 10.4331 10.4859 11.3374 11.3518 11.7034 11.7418 k = 0.2903-0.0000 0.1439 ( 6891 PWs) bands (ev): -8.6271 -8.6206 -8.6158 -8.5721 -8.5519 -8.4873 -8.4783 -8.4670 -7.9711 -7.9054 -7.8241 -7.7611 -7.7027 -7.6993 -7.6623 -7.6415 -7.6144 -7.6130 -7.5960 -7.5903 -6.8413 -6.8256 -5.8929 -5.8587 -5.7600 -5.7467 -5.6928 -5.6840 0.4782 0.4906 1.0561 1.0958 2.0815 2.1012 2.4817 2.5690 2.9296 2.9797 3.0985 3.1601 3.2351 3.2564 3.4006 3.4693 3.6004 3.6321 3.7319 3.7657 3.8486 3.9154 4.0825 4.1470 5.0622 5.1029 5.1474 5.1980 5.2247 5.2508 5.2899 5.3368 5.4403 5.4488 5.5650 5.6265 5.6997 5.7067 5.9733 6.0014 6.4027 6.4377 6.7240 6.7565 8.5461 8.5666 9.4530 9.4950 10.0582 10.1011 10.1664 10.2402 10.4076 10.4661 11.3306 11.3426 11.7043 11.7373 k = 0.3065-0.0000 0.1519 ( 6882 PWs) bands (ev): -8.6272 -8.6212 -8.6147 -8.5689 -8.5552 -8.4881 -8.4795 -8.4676 -7.9700 -7.9056 -7.8250 -7.7630 -7.7028 -7.6989 -7.6641 -7.6434 -7.6145 -7.6130 -7.5958 -7.5903 -6.8112 -6.7946 -5.9187 -5.8847 -5.7654 -5.7526 -5.6952 -5.6875 0.4972 0.5098 1.0572 1.0964 2.0880 2.1061 2.4743 2.5600 2.9463 2.9806 3.0798 3.1374 3.1993 3.2274 3.4100 3.4752 3.6115 3.6413 3.7343 3.7692 3.8438 3.9114 4.0893 4.1521 5.0641 5.1087 5.1522 5.1982 5.2274 5.2621 5.2895 5.3435 5.4435 5.4550 5.5732 5.6299 5.7057 5.7215 5.9663 5.9934 6.3545 6.3905 6.6974 6.7307 8.6121 8.6346 9.4569 9.4968 10.1501 10.1800 10.2104 10.2569 10.3904 10.4541 11.3223 11.3323 11.7077 11.7357 k = 0.3226-0.0000 0.1599 ( 6874 PWs) bands (ev): -8.6273 -8.6217 -8.6135 -8.5658 -8.5584 -8.4897 -8.4800 -8.4683 -7.9687 -7.9063 -7.8252 -7.7652 -7.7029 -7.6986 -7.6655 -7.6451 -7.6145 -7.6130 -7.5956 -7.5903 -6.7804 -6.7629 -5.9455 -5.9118 -5.7704 -5.7584 -5.6974 -5.6907 0.5159 0.5286 1.0594 1.0977 2.0952 2.1115 2.4683 2.5520 2.9501 2.9679 3.0675 3.1115 3.1739 3.2112 3.4212 3.4826 3.6221 3.6495 3.7354 3.7713 3.8389 3.9066 4.0951 4.1557 5.0659 5.1136 5.1555 5.1975 5.2298 5.2731 5.2891 5.3498 5.4476 5.4618 5.5814 5.6358 5.7126 5.7368 5.9604 5.9869 6.3074 6.3441 6.6710 6.7046 8.6751 8.6993 9.4623 9.5010 10.1696 10.2316 10.2934 10.3200 10.3940 10.4576 11.3128 11.3208 11.7129 11.7366 k = 0.3387-0.0000 0.1679 ( 6875 PWs) bands (ev): -8.6274 -8.6222 -8.6121 -8.5632 -8.5610 -8.4920 -8.4801 -8.4689 -7.9671 -7.9076 -7.8248 -7.7677 -7.7030 -7.6984 -7.6667 -7.6469 -7.6145 -7.6131 -7.5954 -7.5904 -6.7491 -6.7309 -5.9732 -5.9400 -5.7751 -5.7638 -5.6996 -5.6937 0.5341 0.5466 1.0626 1.0994 2.1029 2.1175 2.4636 2.5451 2.9334 2.9477 3.0555 3.0833 3.1641 3.2111 3.4339 3.4917 3.6320 3.6565 3.7349 3.7718 3.8338 3.9010 4.0998 4.1578 5.0675 5.1176 5.1571 5.1962 5.2322 5.2829 5.2895 5.3553 5.4524 5.4687 5.5898 5.6442 5.7206 5.7522 5.9547 5.9813 6.2619 6.2989 6.6449 6.6786 8.7352 8.7610 9.4695 9.5079 10.1760 10.2397 10.3472 10.3891 10.4529 10.5046 11.3023 11.3085 11.7189 11.7389 k = 0.3548-0.0000 0.1759 ( 6873 PWs) bands (ev): -8.6274 -8.6228 -8.6107 -8.5654 -8.5588 -8.4947 -8.4798 -8.4695 -7.9652 -7.9095 -7.8238 -7.7703 -7.7031 -7.6983 -7.6675 -7.6486 -7.6145 -7.6131 -7.5951 -7.5904 -6.7175 -6.6986 -6.0015 -5.9689 -5.7794 -5.7689 -5.7016 -5.6965 0.5515 0.5638 1.0666 1.1016 2.1110 2.1239 2.4605 2.5392 2.9014 2.9210 3.0372 3.0577 3.1709 3.2231 3.4482 3.5023 3.6409 3.6623 3.7327 3.7705 3.8285 3.8945 4.1037 4.1586 5.0693 5.1208 5.1575 5.1943 5.2346 5.2855 5.2965 5.3603 5.4578 5.4752 5.5989 5.6548 5.7299 5.7675 5.9482 5.9761 6.2185 6.2554 6.6195 6.6527 8.7929 8.8198 9.4786 9.5171 10.1786 10.2335 10.3754 10.4220 10.5577 10.6016 11.2914 11.2956 11.7239 11.7405 k = 0.3710-0.0000 0.1839 ( 6874 PWs) bands (ev): -8.6275 -8.6233 -8.6091 -8.5686 -8.5554 -8.4977 -8.4795 -8.4702 -7.9631 -7.9118 -7.8223 -7.7731 -7.7032 -7.6984 -7.6679 -7.6503 -7.6145 -7.6132 -7.5948 -7.5905 -6.6857 -6.6663 -6.0301 -5.9984 -5.7832 -5.7737 -5.7034 -5.6991 0.5680 0.5797 1.0713 1.1040 2.1194 2.1307 2.4589 2.5344 2.8638 2.8868 3.0148 3.0357 3.1892 3.2417 3.4638 3.5144 3.6487 3.6669 3.7288 3.7674 3.8232 3.8871 4.1068 4.1581 5.0712 5.1229 5.1571 5.1921 5.2371 5.2843 5.3067 5.3647 5.4637 5.4809 5.6091 5.6669 5.7402 5.7823 5.9408 5.9708 6.1777 6.2139 6.5951 6.6273 8.8482 8.8758 9.4887 9.5274 10.1778 10.2220 10.4072 10.4490 10.6733 10.7121 11.2802 11.2825 11.7254 11.7383 k = 0.3871-0.0000 0.1919 ( 6872 PWs) bands (ev): -8.6275 -8.6238 -8.6074 -8.5717 -8.5519 -8.5009 -8.4790 -8.4708 -7.9607 -7.9146 -7.8203 -7.7760 -7.7032 -7.6986 -7.6680 -7.6520 -7.6144 -7.6132 -7.5945 -7.5906 -6.6541 -6.6344 -6.0587 -6.0282 -5.7865 -5.7780 -5.7050 -5.7013 0.5832 0.5942 1.0767 1.1066 2.1279 2.1378 2.4591 2.5306 2.8243 2.8487 2.9936 3.0158 3.2130 3.2630 3.4807 3.5277 3.6550 3.6705 3.7232 3.7622 3.8181 3.8789 4.1095 4.1565 5.0734 5.1237 5.1565 5.1896 5.2397 5.2823 5.3170 5.3686 5.4698 5.4858 5.6205 5.6798 5.7514 5.7961 5.9324 5.9651 6.1401 6.1749 6.5721 6.6028 8.9013 8.9290 9.4991 9.5375 10.1746 10.2093 10.4456 10.4821 10.7894 10.8231 11.2690 11.2699 11.7210 11.7276 k = 0.4032-0.0000 0.1999 ( 6865 PWs) bands (ev): -8.6274 -8.6242 -8.6056 -8.5749 -8.5483 -8.5042 -8.4785 -8.4714 -7.9581 -7.9176 -7.8180 -7.7791 -7.7032 -7.6988 -7.6678 -7.6536 -7.6144 -7.6133 -7.5941 -7.5908 -6.6230 -6.6033 -6.0869 -6.0579 -5.7894 -5.7820 -5.7064 -5.7034 0.5971 0.6070 1.0824 1.1090 2.1363 2.1449 2.4611 2.5279 2.7848 2.8097 2.9754 2.9975 3.2389 3.2848 3.4985 3.5420 3.6590 3.6739 3.7160 3.7551 3.8136 3.8699 4.1119 4.1540 5.0759 5.1229 5.1564 5.1869 5.2424 5.2798 5.3271 5.3721 5.4759 5.4900 5.6332 5.6927 5.7630 5.8085 5.9237 5.9587 6.1063 6.1391 6.5510 6.5795 8.9518 8.9789 9.5085 9.5459 10.1704 10.1975 10.4906 10.5227 10.9012 10.9294 11.2569 11.2594 11.7022 11.7099 k = 0.4194-0.0000 0.2079 ( 6876 PWs) bands (ev): -8.6274 -8.6247 -8.6036 -8.5780 -8.5447 -8.5077 -8.4779 -8.4720 -7.9553 -7.9210 -7.8153 -7.7823 -7.7031 -7.6993 -7.6674 -7.6552 -7.6143 -7.6134 -7.5938 -7.5910 -6.5929 -6.5738 -6.1139 -6.0870 -5.7917 -5.7855 -5.7076 -5.7051 0.6093 0.6180 1.0882 1.1112 2.1444 2.1518 2.4650 2.5262 2.7472 2.7721 2.9604 2.9811 3.2646 3.3054 3.5172 3.5572 3.6597 3.6776 3.7072 3.7460 3.8101 3.8605 4.1142 4.1508 5.0787 5.1206 5.1570 5.1839 5.2451 5.2768 5.3369 5.3748 5.4817 5.4932 5.6468 5.7047 5.7746 5.8186 5.9154 5.9515 6.0771 6.1068 6.5324 6.5579 8.9990 9.0248 9.5163 9.5515 10.1664 10.1873 10.5417 10.5704 11.0021 11.0262 11.2452 11.2500 11.6640 11.6900 k = 0.4355-0.0000 0.2159 ( 6881 PWs) bands (ev): -8.6273 -8.6251 -8.6016 -8.5810 -8.5410 -8.5113 -8.4774 -8.4726 -7.9523 -7.9244 -7.8124 -7.7856 -7.7029 -7.6997 -7.6667 -7.6567 -7.6143 -7.6135 -7.5935 -7.5912 -6.5644 -6.5466 -6.1389 -6.1148 -5.7935 -5.7885 -5.7085 -5.7066 0.6197 0.6270 1.0939 1.1129 2.1519 2.1581 2.4709 2.5251 2.7131 2.7372 2.9487 2.9668 3.2889 3.3234 3.5363 3.5730 3.6568 3.6817 3.6973 3.7356 3.8081 3.8509 4.1168 4.1470 5.0819 5.1171 5.1584 5.1809 5.2479 5.2736 5.3461 5.3768 5.4869 5.4958 5.6612 5.7147 5.7859 5.8257 5.9083 5.9435 6.0531 6.0787 6.5167 6.5384 9.0421 9.0654 9.5221 9.5535 10.1631 10.1790 10.5986 10.6241 11.0809 11.1079 11.2342 11.2416 11.6209 11.6679 k = 0.4516-0.0000 0.2239 ( 6880 PWs) bands (ev): -8.6271 -8.6255 -8.5993 -8.5839 -8.5373 -8.5149 -8.4768 -8.4732 -7.9492 -7.9280 -7.8093 -7.7890 -7.7027 -7.7002 -7.6658 -7.6582 -7.6142 -7.6136 -7.5932 -7.5914 -6.5386 -6.5231 -6.1605 -6.1402 -5.7948 -5.7910 -5.7092 -5.7078 0.6283 0.6339 1.0993 1.1138 2.1585 2.1633 2.4787 2.5242 2.6843 2.7064 2.9404 2.9548 3.3105 3.3378 3.5556 3.5893 3.6503 3.6834 3.6884 3.7248 3.8078 3.8415 4.1196 4.1429 5.0855 5.1128 5.1604 5.1777 5.2508 5.2703 5.3545 5.3777 5.4914 5.4977 5.6759 5.7216 5.7965 5.8295 5.9035 5.9346 6.0352 6.0555 6.5046 6.5218 9.0795 9.0991 9.5262 9.5522 10.1610 10.1725 10.6594 10.6813 11.1256 11.1623 11.2243 11.2341 11.5929 11.6542 k = 0.4677-0.0000 0.2319 ( 6879 PWs) bands (ev): -8.6270 -8.6259 -8.5970 -8.5867 -8.5335 -8.5186 -8.4762 -8.4738 -7.9459 -7.9316 -7.8060 -7.7924 -7.7024 -7.7007 -7.6648 -7.6597 -7.6141 -7.6137 -7.5929 -7.5917 -6.5169 -6.5051 -6.1769 -6.1620 -5.7955 -5.7930 -5.7097 -5.7088 0.6347 0.6386 1.1041 1.1139 2.1638 2.1672 2.4883 2.5220 2.6631 2.6809 2.9353 2.9453 3.3284 3.3473 3.5748 3.6060 3.6403 3.6720 3.6911 3.7150 3.8093 3.8326 4.1228 4.1386 5.0894 5.1080 5.1628 5.1746 5.2538 5.2669 5.3619 5.3775 5.4949 5.4989 5.6902 5.7241 5.8063 5.8298 5.9019 5.9254 6.0236 6.0377 6.4965 6.5084 9.1095 9.1239 9.5295 9.5482 10.1601 10.1676 10.7198 10.7370 11.1342 11.1698 11.2208 11.2290 11.5980 11.6566 k = 0.4839-0.0000 0.2399 ( 6875 PWs) bands (ev): -8.6267 -8.6262 -8.5946 -8.5894 -8.5298 -8.5223 -8.4756 -8.4744 -7.9424 -7.9353 -7.8027 -7.7958 -7.7021 -7.7012 -7.6637 -7.6611 -7.6140 -7.6138 -7.5925 -7.5919 -6.5011 -6.4947 -6.1861 -6.1781 -5.7957 -5.7944 -5.7099 -5.7094 0.6390 0.6410 1.1081 1.1130 2.1676 2.1693 2.4989 2.5172 2.6519 2.6621 2.9333 2.9384 3.3416 3.3513 3.5932 3.6207 3.6295 3.6573 3.6956 3.7070 3.8127 3.8246 4.1263 4.1344 5.0938 5.1032 5.1655 5.1715 5.2570 5.2635 5.3680 5.3758 5.4974 5.4993 5.7034 5.7215 5.8149 5.8271 5.9036 5.9164 6.0183 6.0255 6.4927 6.4989 9.1303 9.1379 9.5330 9.5428 10.1604 10.1641 10.7706 10.7806 11.1234 11.1428 11.2230 11.2262 11.6290 11.6659 k = 0.5000-0.0000 0.2479 ( 6874 PWs) bands (ev): -8.6265 -8.6265 -8.5921 -8.5921 -8.5260 -8.5260 -8.4750 -8.4750 -7.9389 -7.9389 -7.7993 -7.7993 -7.7017 -7.7017 -7.6624 -7.6624 -7.6139 -7.6139 -7.5922 -7.5922 -6.4933 -6.4933 -6.1865 -6.1865 -5.7953 -5.7953 -5.7098 -5.7098 0.6412 0.6412 1.1111 1.1111 2.1695 2.1695 2.5092 2.5092 2.6518 2.6518 2.9344 2.9344 3.3494 3.3494 3.6104 3.6104 3.6413 3.6413 3.7007 3.7007 3.8178 3.8178 4.1302 4.1302 5.0984 5.0984 5.1684 5.1684 5.2602 5.2602 5.3727 5.3727 5.4989 5.4989 5.7143 5.7143 5.8220 5.8220 5.9088 5.9088 6.0191 6.0191 6.4936 6.4936 9.1401 9.1401 9.5374 9.5374 10.1617 10.1617 10.7950 10.7950 11.1212 11.1212 11.2244 11.2244 11.6590 11.6590 k = 0.5000-0.5000 0.0000 ( 6876 PWs) bands (ev): -8.6298 -8.6298 -8.5900 -8.5900 -8.5256 -8.5256 -8.4831 -8.4831 -7.9493 -7.9493 -7.7878 -7.7878 -7.7040 -7.7040 -7.6861 -7.6861 -7.6144 -7.6144 -7.5908 -7.5908 -6.1817 -6.1817 -6.1766 -6.1766 -5.8890 -5.8890 -5.8515 -5.8515 0.4646 0.4646 0.4878 0.4878 1.8303 1.8303 1.8829 1.8829 3.0217 3.0217 3.0822 3.0822 3.7297 3.7297 3.7436 3.7436 3.9172 3.9172 3.9813 3.9813 4.1176 4.1176 4.1315 4.1315 5.0901 5.0901 5.2247 5.2247 5.3232 5.3232 5.3752 5.3752 5.7839 5.7839 5.8201 5.8201 6.2363 6.2363 6.2483 6.2483 6.5382 6.5382 6.5631 6.5631 8.0892 8.0892 8.1421 8.1421 10.2366 10.2366 10.2629 10.2629 11.6062 11.6062 11.6434 11.6434 11.9285 11.9285 k = 0.4872-0.4872 0.0000 ( 6870 PWs) bands (ev): -8.6307 -8.6288 -8.5914 -8.5886 -8.5279 -8.5233 -8.4838 -8.4823 -7.9535 -7.9450 -7.7929 -7.7827 -7.7050 -7.7030 -7.6876 -7.6846 -7.6148 -7.6140 -7.5912 -7.5904 -6.2039 -6.2012 -6.1601 -6.1544 -5.8974 -5.8796 -5.8604 -5.8410 0.4539 0.4745 0.4793 0.4998 1.8115 1.8455 1.8740 1.9026 2.9668 3.0271 3.0784 3.1350 3.7268 3.7316 3.7420 3.7449 3.9118 3.9179 3.9725 3.9861 4.1111 4.1171 4.1333 4.1379 5.0875 5.0928 5.2243 5.2247 5.3177 5.3278 5.3679 5.3821 5.7696 5.7970 5.8083 5.8324 6.2255 6.2331 6.2449 6.2466 6.5234 6.5403 6.5603 6.5774 8.0938 8.0988 8.1434 8.1553 10.2305 10.2400 10.2608 10.2615 11.5874 11.6006 11.6367 11.6641 11.9250 11.9341 k = 0.4744-0.4744 0.0000 ( 6870 PWs) bands (ev): -8.6316 -8.6277 -8.5928 -8.5873 -8.5301 -8.5209 -8.4845 -8.4814 -7.9575 -7.9406 -7.7981 -7.7776 -7.7060 -7.7019 -7.6889 -7.6830 -7.6151 -7.6136 -7.5916 -7.5900 -6.2283 -6.2264 -6.1405 -6.1331 -5.9044 -5.8725 -5.8641 -5.8292 0.4446 0.4673 0.4908 0.5133 1.7951 1.8418 1.8912 1.9272 2.9117 2.9747 3.1318 3.1874 3.7232 3.7326 3.7401 3.7461 3.9016 3.9141 3.9598 3.9871 4.1041 4.1114 4.1409 4.1459 5.0849 5.0956 5.2235 5.2246 5.3117 5.3308 5.3605 5.3882 5.7554 5.7937 5.8118 5.8439 6.2042 6.2174 6.2351 6.2367 6.5066 6.5262 6.5725 6.5925 8.1129 8.1217 8.1595 8.1819 10.2217 10.2407 10.2550 10.2564 11.5605 11.5697 11.6467 11.6807 11.9243 11.9405 k = 0.4615-0.4615 0.0000 ( 6870 PWs) bands (ev): -8.6324 -8.6266 -8.5944 -8.5862 -8.5322 -8.5184 -8.4851 -8.4805 -7.9613 -7.9360 -7.8033 -7.7727 -7.7070 -7.7009 -7.6902 -7.6813 -7.6155 -7.6132 -7.5921 -7.5897 -6.2548 -6.2526 -6.1220 -6.1132 -5.9098 -5.8762 -5.8544 -5.8164 0.4366 0.4596 0.5055 0.5283 1.7819 1.8331 1.9206 1.9557 2.8573 2.9227 3.1842 3.2386 3.7186 3.7324 3.7380 3.7470 3.8863 3.9063 3.9432 3.9848 4.0982 4.1060 4.1481 4.1542 5.0825 5.0985 5.2219 5.2244 5.3056 5.3317 5.3533 5.3933 5.7423 5.7825 5.8226 5.8539 6.1750 6.1936 6.2164 6.2181 6.4890 6.5101 6.5859 6.6077 8.1455 8.1565 8.1897 8.2200 10.2103 10.2390 10.2460 10.2481 11.5250 11.5350 11.6553 11.6907 11.9264 11.9457 k = 0.4487-0.4487 0.0000 ( 6878 PWs) bands (ev): -8.6331 -8.6255 -8.5959 -8.5851 -8.5343 -8.5160 -8.4856 -8.4797 -7.9649 -7.9313 -7.8085 -7.7678 -7.7080 -7.6998 -7.6915 -7.6796 -7.6159 -7.6128 -7.5927 -7.5894 -6.2830 -6.2800 -6.1046 -6.0943 -5.9136 -5.8804 -5.8417 -5.8030 0.4300 0.4532 0.5216 0.5447 1.7720 1.8266 1.9548 1.9879 2.8040 2.8721 3.2345 3.2879 3.7131 3.7304 3.7356 3.7477 3.8661 3.8949 3.9232 3.9797 4.0937 4.1016 4.1534 4.1626 5.0801 5.1015 5.2192 5.2242 5.2999 5.3299 5.3466 5.3971 5.7311 5.7724 5.8314 5.8622 6.1399 6.1640 6.1892 6.1913 6.4712 6.4935 6.5994 6.6228 8.1896 8.2019 8.2323 8.2675 10.1966 10.2331 10.2356 10.2376 11.4830 11.4982 11.6595 11.6937 11.9293 11.9497 k = 0.4359-0.4359 0.0000 ( 6898 PWs) bands (ev): -8.6338 -8.6245 -8.5975 -8.5842 -8.5362 -8.5135 -8.4861 -8.4788 -7.9684 -7.9266 -7.8137 -7.7631 -7.7090 -7.6987 -7.6927 -7.6779 -7.6163 -7.6124 -7.5932 -7.5891 -6.3126 -6.3086 -6.0880 -6.0764 -5.9159 -5.8833 -5.8282 -5.7893 0.4247 0.4480 0.5390 0.5624 1.7654 1.8231 1.9928 2.0234 2.7526 2.8234 3.2822 3.3345 3.7062 3.7263 3.7323 3.7481 3.8413 3.8798 3.9012 3.9727 4.0903 4.0980 4.1567 4.1706 5.0777 5.1046 5.2152 5.2240 5.2949 5.3256 5.3405 5.3994 5.7224 5.7643 5.8374 5.8680 6.1010 6.1304 6.1548 6.1579 6.4532 6.4769 6.6130 6.6380 8.2414 8.2573 8.2853 8.3220 10.1810 10.2190 10.2231 10.2314 11.4380 11.4577 11.6583 11.6895 11.9311 11.9574 k = 0.4231-0.4231 0.0000 ( 6902 PWs) bands (ev): -8.6344 -8.6234 -8.5991 -8.5834 -8.5380 -8.5110 -8.4865 -8.4779 -7.9716 -7.9217 -7.8188 -7.7586 -7.7100 -7.6975 -7.6937 -7.6760 -7.6166 -7.6119 -7.5938 -7.5889 -6.3433 -6.3384 -6.0721 -6.0594 -5.9167 -5.8846 -5.8144 -5.7753 0.4206 0.4442 0.5576 0.5814 1.7620 1.8225 2.0341 2.0621 2.7036 2.7771 3.3265 3.3780 3.6978 3.7196 3.7269 3.7482 3.8125 3.8600 3.8804 3.9647 4.0874 4.0949 4.1580 4.1778 5.0754 5.1079 5.2097 5.2239 5.2910 5.3195 5.3343 5.4001 5.7169 5.7588 5.8401 5.8711 6.0604 6.0945 6.1150 6.1200 6.4355 6.4605 6.6270 6.6534 8.2970 8.3217 8.3463 8.3814 10.1639 10.2026 10.2084 10.2259 11.3918 11.4139 11.6508 11.6777 11.9334 11.9676 k = 0.4103-0.4103 0.0000 ( 6902 PWs) bands (ev): -8.6348 -8.6223 -8.6007 -8.5827 -8.5396 -8.5085 -8.4867 -8.4770 -7.9746 -7.9168 -7.8239 -7.7543 -7.7109 -7.6963 -7.6945 -7.6741 -7.6169 -7.6115 -7.5944 -7.5887 -6.3749 -6.3694 -6.0566 -6.0429 -5.9160 -5.8844 -5.8005 -5.7615 0.4176 0.4414 0.5773 0.6017 1.7614 1.8248 2.0785 2.1039 2.6575 2.7338 3.3671 3.4175 3.6876 3.7092 3.7175 3.7480 3.7806 3.8363 3.8628 3.9563 4.0846 4.0918 4.1575 4.1840 5.0731 5.1112 5.2027 5.2239 5.2880 5.3127 5.3275 5.3994 5.7148 5.7558 5.8387 5.8707 6.0201 6.0574 6.0720 6.0798 6.4181 6.4443 6.6413 6.6690 8.3531 8.3930 8.4123 8.4446 10.1457 10.1847 10.1933 10.2208 11.3455 11.3677 11.6365 11.6586 11.9373 11.9714 k = 0.3974-0.3974 0.0000 ( 6906 PWs) bands (ev): -8.6352 -8.6213 -8.6023 -8.5822 -8.5410 -8.5060 -8.4868 -8.4762 -7.9774 -7.9118 -7.8289 -7.7502 -7.7118 -7.6960 -7.6943 -7.6721 -7.6172 -7.6110 -7.5950 -7.5886 -6.4074 -6.4013 -6.0414 -6.0268 -5.9139 -5.8827 -5.7868 -5.7480 0.4156 0.4396 0.5981 0.6231 1.7636 1.8297 2.1258 2.1483 2.6151 2.6941 3.4034 3.4526 3.6750 3.6928 3.7013 3.7443 3.7505 3.8133 3.8480 3.9479 4.0816 4.0886 4.1554 4.1889 5.0708 5.1146 5.1945 5.2239 5.2857 5.3061 5.3202 5.3975 5.7160 5.7553 5.8321 5.8661 5.9817 6.0198 6.0281 6.0402 6.4013 6.4286 6.6561 6.6848 8.4076 8.4661 8.4807 8.5123 10.1272 10.1660 10.1795 10.2170 11.2998 11.3204 11.6154 11.6326 11.9396 11.9723 k = 0.3846-0.3846 0.0000 ( 6904 PWs) bands (ev): -8.6355 -8.6203 -8.6038 -8.5818 -8.5423 -8.5035 -8.4869 -8.4753 -7.9799 -7.9068 -7.8339 -7.7463 -7.7127 -7.6967 -7.6929 -7.6701 -7.6174 -7.6105 -7.5957 -7.5884 -6.4404 -6.4340 -6.0264 -6.0111 -5.9105 -5.8797 -5.7735 -5.7351 0.4145 0.4387 0.6199 0.6455 1.7681 1.8366 2.1755 2.1951 2.5770 2.6584 3.4351 3.4827 3.6595 3.6676 3.6756 3.7148 3.7474 3.7951 3.8358 3.9398 4.0783 4.0850 4.1520 4.1926 5.0685 5.1182 5.1855 5.2240 5.2833 5.3003 5.3131 5.3945 5.7199 5.7561 5.8190 5.8565 5.9457 5.9822 5.9874 6.0039 6.3854 6.4137 6.6714 6.7009 8.4585 8.5296 8.5555 8.5855 10.1088 10.1471 10.1682 10.2155 11.2555 11.2730 11.5880 11.6007 11.9360 11.9730 k = 0.3718-0.3718 0.0000 ( 6902 PWs) bands (ev): -8.6357 -8.6193 -8.6053 -8.5816 -8.5434 -8.5010 -8.4868 -8.4745 -7.9822 -7.9016 -7.8388 -7.7429 -7.7135 -7.6974 -7.6913 -7.6680 -7.6177 -7.6100 -7.5963 -7.5883 -6.4740 -6.4674 -6.0115 -5.9956 -5.9059 -5.8755 -5.7607 -5.7228 0.4142 0.4384 0.6427 0.6690 1.7747 1.8452 2.2274 2.2439 2.5439 2.6273 3.4621 3.5073 3.6311 3.6390 3.6435 3.6861 3.7461 3.7823 3.8263 3.9318 4.0746 4.0811 4.1478 4.1950 5.0662 5.1218 5.1762 5.2241 5.2796 5.2956 5.3073 5.3910 5.7258 5.7565 5.7985 5.8419 5.9094 5.9495 5.9522 5.9724 6.3707 6.4001 6.6871 6.7171 8.5038 8.5808 8.6349 8.6622 10.0912 10.1287 10.1610 10.2173 11.2131 11.2267 11.5554 11.5641 11.9251 11.9687 k = 0.3590-0.3590 0.0000 ( 6906 PWs) bands (ev): -8.6357 -8.6184 -8.6068 -8.5815 -8.5443 -8.4986 -8.4866 -8.4737 -7.9842 -7.8965 -7.8437 -7.7398 -7.7142 -7.6980 -7.6894 -7.6658 -7.6179 -7.6095 -7.5970 -7.5882 -6.5079 -6.5013 -5.9965 -5.9802 -5.9001 -5.8701 -5.7486 -5.7113 0.4143 0.4386 0.6662 0.6934 1.7830 1.8548 2.2811 2.2943 2.5169 2.6015 3.4841 3.5253 3.5881 3.5982 3.6220 3.6579 3.7443 3.7733 3.8191 3.9234 4.0705 4.0772 4.1431 4.1959 5.0638 5.1255 5.1672 5.2241 5.2747 5.2910 5.3043 5.3870 5.7328 5.7529 5.7710 5.8235 5.8726 5.9214 5.9274 5.9462 6.3579 6.3883 6.7031 6.7334 8.5419 8.6219 8.7143 8.7394 10.0752 10.1116 10.1593 10.2233 11.1727 11.1823 11.5185 11.5244 11.9080 11.9549 k = 0.3462-0.3462 0.0000 ( 6898 PWs) bands (ev): -8.6357 -8.6176 -8.6081 -8.5815 -8.5449 -8.4962 -8.4864 -8.4730 -7.9859 -7.8913 -7.8484 -7.7371 -7.7148 -7.6986 -7.6873 -7.6636 -7.6181 -7.6090 -7.5977 -7.5882 -6.5420 -6.5355 -5.9815 -5.9648 -5.8932 -5.8636 -5.7373 -5.7006 0.4147 0.4390 0.6905 0.7186 1.7927 1.8649 2.3359 2.3456 2.4966 2.5815 3.5005 3.5284 3.5411 3.5598 3.6003 3.6291 3.7422 3.7664 3.8135 3.9141 4.0654 4.0740 4.1383 4.1954 5.0614 5.1293 5.1589 5.2241 5.2692 5.2859 5.3042 5.3827 5.7331 5.7395 5.7479 5.7982 5.8453 5.8954 5.9121 5.9250 6.3476 6.3790 6.7194 6.7499 8.5715 8.6525 8.7911 8.8148 10.0614 10.0965 10.1643 10.2345 11.1345 11.1408 11.4785 11.4833 11.8851 11.9322 k = 0.3333-0.3333 0.0000 ( 6886 PWs) bands (ev): -8.6356 -8.6170 -8.6094 -8.5816 -8.5453 -8.4938 -8.4860 -8.4723 -7.9873 -7.8861 -7.8530 -7.7350 -7.7151 -7.6991 -7.6851 -7.6613 -7.6182 -7.6085 -7.5984 -7.5882 -6.5761 -6.5699 -5.9663 -5.9495 -5.8852 -5.8561 -5.7268 -5.6909 0.4153 0.4395 0.7154 0.7444 1.8033 1.8747 2.3913 2.3972 2.4839 2.5678 3.4874 3.4901 3.5145 3.5483 3.5831 3.6008 3.7394 3.7602 3.8086 3.9031 4.0590 4.0719 4.1339 4.1935 5.0590 5.1332 5.1516 5.2238 5.2641 5.2809 5.3059 5.3779 5.6965 5.7332 5.7439 5.7634 5.8331 5.8730 5.9011 5.9082 6.3407 6.3731 6.7359 6.7663 8.5915 8.6718 8.8638 8.8865 10.0505 10.0842 10.1767 10.2512 11.0976 11.1037 11.4366 11.4419 11.8562 11.9025 k = 0.3205-0.3205 0.0000 ( 6897 PWs) bands (ev): -8.6354 -8.6165 -8.6107 -8.5819 -8.5455 -8.4915 -8.4856 -8.4717 -7.9885 -7.8809 -7.8576 -7.7335 -7.7152 -7.6996 -7.6827 -7.6591 -7.6184 -7.6080 -7.5991 -7.5882 -6.6101 -6.6043 -5.9510 -5.9343 -5.8764 -5.8478 -5.7173 -5.6822 0.4157 0.4397 0.7407 0.7709 1.8145 1.8838 2.4459 2.4483 2.4800 2.5608 3.4349 3.4381 3.5158 3.5303 3.5761 3.5799 3.7359 3.7541 3.8036 3.8902 4.0514 4.0702 4.1302 4.1902 5.0565 5.1368 5.1455 5.2234 5.2594 5.2763 5.3083 5.3721 5.6576 5.7171 5.7223 5.7500 5.8262 5.8534 5.8923 5.8964 6.3382 6.3713 6.7524 6.7827 8.6015 8.6795 8.9308 8.9528 10.0431 10.0753 10.1967 10.2736 11.0625 11.0713 11.3945 11.4007 11.8211 11.8667 k = 0.3077-0.3077 0.0000 ( 6901 PWs) bands (ev): -8.6351 -8.6161 -8.6118 -8.5823 -8.5455 -8.4893 -8.4852 -8.4711 -7.9895 -7.8758 -7.8620 -7.7325 -7.7151 -7.7001 -7.6801 -7.6568 -7.6186 -7.6075 -7.5999 -7.5883 -6.6440 -6.6386 -5.9356 -5.9190 -5.8667 -5.8387 -5.7086 -5.6745 0.4157 0.4394 0.7665 0.7977 1.8261 1.8917 2.4806 2.4997 2.5019 2.5609 3.3804 3.3827 3.5035 3.5056 3.5644 3.5806 3.7316 3.7477 3.7980 3.8753 4.0428 4.0681 4.1278 4.1854 5.0540 5.1375 5.1432 5.2229 5.2553 5.2725 5.3110 5.3648 5.6189 5.6813 5.7071 5.7504 5.8178 5.8356 5.8824 5.8916 6.3410 6.3746 6.7690 6.7989 8.6014 8.6757 8.9907 9.0122 10.0395 10.0705 10.2243 10.3016 11.0304 11.0427 11.3532 11.3603 11.7798 11.8250 k = 0.2949-0.2949 0.0000 ( 6907 PWs) bands (ev): -8.6348 -8.6160 -8.6128 -8.5828 -8.5452 -8.4872 -8.4846 -8.4706 -7.9901 -7.8711 -7.8660 -7.7321 -7.7147 -7.7004 -7.6773 -7.6544 -7.6187 -7.6070 -7.6006 -7.5883 -6.6776 -6.6727 -5.9201 -5.9038 -5.8563 -5.8289 -5.7008 -5.6678 0.4152 0.4385 0.7925 0.8248 1.8379 1.8984 2.4946 2.5457 2.5532 2.5686 3.3249 3.3260 3.4777 3.4837 3.5618 3.5815 3.7265 3.7407 3.7913 3.8586 4.0334 4.0648 4.1268 4.1793 5.0515 5.1332 5.1464 5.2224 5.2517 5.2694 5.3138 5.3556 5.5817 5.6433 5.6993 5.7499 5.8063 5.8185 5.8737 5.8896 6.3497 6.3836 6.7854 6.8148 8.5914 8.6609 9.0425 9.0637 10.0397 10.0697 10.2588 10.3346 11.0021 11.0175 11.3135 11.3212 11.7324 11.7780 k = 0.2821-0.2821 0.0000 ( 6921 PWs) bands (ev): -8.6344 -8.6162 -8.6135 -8.5835 -8.5448 -8.4856 -8.4836 -8.4701 -7.9906 -7.8716 -7.8646 -7.7322 -7.7141 -7.7007 -7.6745 -7.6521 -7.6188 -7.6065 -7.6014 -7.5885 -6.7107 -6.7065 -5.9044 -5.8887 -5.8451 -5.8186 -5.6938 -5.6620 0.4139 0.4367 0.8186 0.8520 1.8499 1.9042 2.5159 2.5805 2.5904 2.6023 3.2682 3.2694 3.4532 3.4615 3.5619 3.5811 3.7203 3.7328 3.7832 3.8407 4.0234 4.0596 4.1271 4.1720 5.0490 5.1283 5.1504 5.2216 5.2483 5.2667 5.3163 5.3445 5.5469 5.6070 5.6965 5.7492 5.7923 5.8013 5.8657 5.8876 6.3649 6.3989 6.8015 6.8305 8.5721 8.6361 9.0856 9.1064 10.0432 10.0726 10.2991 10.3719 10.9779 10.9958 11.2756 11.2837 11.6795 11.7264 k = 0.2692-0.2692 0.0000 ( 6923 PWs) bands (ev): -8.6339 -8.6166 -8.6139 -8.5842 -8.5440 -8.4848 -8.4820 -8.4696 -7.9907 -7.8755 -7.8597 -7.7327 -7.7133 -7.7010 -7.6714 -7.6497 -7.6189 -7.6060 -7.6022 -7.5886 -6.7433 -6.7397 -5.8888 -5.8736 -5.8335 -5.8077 -5.6877 -5.6572 0.4118 0.4340 0.8446 0.8792 1.8622 1.9094 2.5448 2.6024 2.6271 2.6458 3.2110 3.2136 3.4331 3.4433 3.5619 3.5791 3.7130 3.7238 3.7736 3.8219 4.0129 4.0529 4.1279 4.1634 5.0466 5.1232 5.1546 5.2203 5.2453 5.2643 5.3178 5.3319 5.5153 5.5727 5.6982 5.7492 5.7770 5.7842 5.8580 5.8846 6.3865 6.4202 6.8174 6.8458 8.5442 8.6024 9.1198 9.1400 10.0488 10.0780 10.3441 10.4125 10.9579 10.9777 11.2397 11.2476 11.6224 11.6719 k = 0.2564-0.2564 0.0000 ( 6909 PWs) bands (ev): -8.6333 -8.6173 -8.6141 -8.5850 -8.5431 -8.4843 -8.4801 -8.4690 -7.9905 -7.8796 -7.8545 -7.7334 -7.7124 -7.7011 -7.6683 -7.6472 -7.6189 -7.6054 -7.6028 -7.5887 -6.7753 -6.7724 -5.8731 -5.8587 -5.8214 -5.7965 -5.6824 -5.6532 0.4086 0.4300 0.8703 0.9060 1.8749 1.9147 2.5807 2.6298 2.6577 2.6828 3.1545 3.1587 3.4194 3.4320 3.5610 3.5757 3.7043 3.7135 3.7625 3.8026 4.0021 4.0448 4.1287 4.1538 5.0443 5.1178 5.1587 5.2176 5.2429 5.2622 5.3133 5.3232 5.4876 5.5405 5.7025 5.7487 5.7618 5.7691 5.8509 5.8805 6.4140 6.4473 6.8330 6.8607 8.5086 8.5608 9.1455 9.1649 10.0544 10.0840 10.3927 10.4554 10.9425 10.9633 11.2053 11.2129 11.5634 11.6171 k = 0.2436-0.2436 0.0000 ( 6911 PWs) bands (ev): -8.6327 -8.6180 -8.6142 -8.5859 -8.5419 -8.4840 -8.4781 -8.4685 -7.9901 -7.8837 -7.8494 -7.7343 -7.7116 -7.7013 -7.6651 -7.6447 -7.6189 -7.6050 -7.6034 -7.5889 -6.8066 -6.8043 -5.8575 -5.8439 -5.8089 -5.7850 -5.6777 -5.6501 0.4043 0.4249 0.8956 0.9322 1.8883 1.9204 2.6226 2.6625 2.6805 2.7117 3.0994 3.1049 3.4139 3.4292 3.5590 3.5708 3.6941 3.7018 3.7499 3.7832 3.9913 4.0358 4.1288 4.1432 5.0420 5.1121 5.1627 5.2125 5.2411 5.2602 5.2992 5.3225 5.4646 5.5105 5.7051 5.7386 5.7531 5.7611 5.8462 5.8764 6.4464 6.4791 6.8481 6.8750 8.4660 8.5124 9.1633 9.1817 10.0575 10.0877 10.4437 10.4993 10.9319 10.9527 11.1718 11.1789 11.5063 11.5654 k = 0.2308-0.2308 0.0000 ( 6915 PWs) bands (ev): -8.6320 -8.6187 -8.6144 -8.5868 -8.5406 -8.4839 -8.4763 -8.4679 -7.9895 -7.8876 -7.8442 -7.7354 -7.7108 -7.7014 -7.6619 -7.6422 -7.6190 -7.6050 -7.6036 -7.5891 -6.8371 -6.8354 -5.8421 -5.8294 -5.7963 -5.7733 -5.6737 -5.6477 0.3989 0.4186 0.9201 0.9577 1.9025 1.9271 2.6696 2.6934 2.7014 2.7317 3.0465 3.0529 3.4176 3.4356 3.5557 3.5643 3.6823 3.6887 3.7361 3.7640 3.9806 4.0262 4.1278 4.1319 5.0398 5.1059 5.1662 5.2043 5.2398 5.2583 5.2839 5.3221 5.4468 5.4828 5.7001 5.7207 5.7517 5.7592 5.8473 5.8747 6.4830 6.5147 6.8628 6.8889 8.4173 8.4581 9.1744 9.1915 10.0547 10.0857 10.4959 10.5430 10.9264 10.9461 11.1383 11.1454 11.4557 11.5211 k = 0.2179-0.2179 0.0000 ( 6903 PWs) bands (ev): -8.6313 -8.6193 -8.6145 -8.5878 -8.5392 -8.4839 -8.4744 -8.4673 -7.9886 -7.8915 -7.8391 -7.7366 -7.7100 -7.7014 -7.6587 -7.6397 -7.6189 -7.6055 -7.6032 -7.5893 -6.8668 -6.8656 -5.8268 -5.8151 -5.7836 -5.7615 -5.6702 -5.6460 0.3924 0.4110 0.9439 0.9822 1.9176 1.9351 2.7004 2.7208 2.7403 2.7443 2.9968 3.0031 3.4304 3.4508 3.5510 3.5565 3.6686 3.6743 3.7215 3.7451 3.9702 4.0164 4.1200 4.1256 5.0378 5.0992 5.1691 5.1932 5.2381 5.2558 5.2703 5.3212 5.4344 5.4575 5.6880 5.7016 5.7497 5.7585 5.8575 5.8791 6.5226 6.5533 6.8770 6.9023 8.3631 8.3988 9.1798 9.1952 10.0427 10.0743 10.5481 10.5848 10.9266 10.9442 11.1048 11.1123 11.4165 11.4878 k = 0.2051-0.2051 0.0000 ( 6903 PWs) bands (ev): -8.6305 -8.6199 -8.6147 -8.5889 -8.5375 -8.4841 -8.4727 -8.4666 -7.9875 -7.8954 -7.8340 -7.7379 -7.7092 -7.7015 -7.6555 -7.6372 -7.6188 -7.6062 -7.6026 -7.5895 -6.8957 -6.8945 -5.8119 -5.8011 -5.7710 -5.7498 -5.6672 -5.6449 0.3848 0.4024 0.9665 1.0054 1.9339 1.9446 2.7004 2.7451 2.7756 2.7845 2.9523 2.9561 3.4506 3.4731 3.5447 3.5472 3.6533 3.6589 3.7065 3.7269 3.9603 4.0066 4.1076 4.1219 5.0358 5.0921 5.1700 5.1805 5.2337 5.2502 5.2627 5.3205 5.4270 5.4347 5.6728 5.6824 5.7404 5.7571 5.8774 5.8935 6.5641 6.5936 6.8906 6.9150 8.3039 8.3349 9.1806 9.1941 10.0186 10.0504 10.5990 10.6233 10.9324 10.9476 11.0727 11.0811 11.3918 11.4679 k = 0.1923-0.1923 0.0000 ( 6893 PWs) bands (ev): -8.6297 -8.6205 -8.6148 -8.5900 -8.5358 -8.4843 -8.4710 -8.4659 -7.9862 -7.8991 -7.8290 -7.7393 -7.7084 -7.7015 -7.6522 -7.6347 -7.6187 -7.6069 -7.6020 -7.5897 -6.9237 -6.9222 -5.7973 -5.7875 -5.7587 -5.7382 -5.6645 -5.6444 0.3763 0.3927 0.9879 1.0271 1.9511 1.9555 2.6955 2.7416 2.8217 2.8322 2.9123 2.9196 3.4750 3.4995 3.5364 3.5384 3.6366 3.6430 3.6920 3.7095 3.9511 3.9970 4.0951 4.1169 5.0341 5.0843 5.1616 5.1742 5.2243 5.2442 5.2609 5.3208 5.4149 5.4240 5.6566 5.6637 5.7273 5.7506 5.9059 5.9187 6.6068 6.6348 6.9038 6.9273 8.2402 8.2672 9.1779 9.1892 9.9806 10.0118 10.6469 10.6568 10.9432 10.9575 11.0441 11.0557 11.3826 11.4617 k = 0.1795-0.1795 0.0000 ( 6891 PWs) bands (ev): -8.6289 -8.6209 -8.6150 -8.5911 -8.5339 -8.4848 -8.4694 -8.4652 -7.9847 -7.9028 -7.8241 -7.7408 -7.7077 -7.7015 -7.6491 -7.6323 -7.6185 -7.6076 -7.6013 -7.5899 -6.9506 -6.9486 -5.7831 -5.7743 -5.7468 -5.7269 -5.6621 -5.6442 0.3670 0.3822 1.0078 1.0470 1.9677 1.9691 2.6879 2.7329 2.8315 2.8688 2.8940 2.9211 3.4932 3.5165 3.5324 3.5393 3.6194 3.6279 3.6793 3.6936 3.9427 3.9879 4.0825 4.1106 5.0325 5.0759 5.1464 5.1722 5.2120 5.2389 5.2615 5.3227 5.3983 5.4240 5.6394 5.6465 5.7125 5.7395 5.9415 5.9532 6.6497 6.6761 6.9164 6.9390 8.1725 8.1958 9.1724 9.1814 9.9282 9.9583 10.6844 10.6898 10.9558 10.9733 11.0211 11.0438 11.3878 11.4683 k = 0.1667-0.1667 0.0000 ( 6891 PWs) bands (ev): -8.6281 -8.6213 -8.6152 -8.5923 -8.5319 -8.4854 -8.4679 -8.4644 -7.9830 -7.9064 -7.8192 -7.7423 -7.7070 -7.7014 -7.6460 -7.6299 -7.6184 -7.6083 -7.6006 -7.5901 -6.9763 -6.9738 -5.7695 -5.7615 -5.7356 -5.7160 -5.6596 -5.6444 0.3571 0.3711 1.0261 1.0650 1.9809 1.9876 2.6791 2.7203 2.8127 2.8352 2.9506 2.9583 3.4874 3.5073 3.5453 3.5587 3.6053 3.6166 3.6711 3.6804 3.9351 3.9794 4.0703 4.1032 5.0310 5.0666 5.1309 5.1685 5.1995 5.2329 5.2638 5.3264 5.3854 5.4263 5.6213 5.6313 5.6970 5.7255 5.9834 5.9951 6.6919 6.7165 6.9286 6.9503 8.1011 8.1213 9.1648 9.1712 9.8631 9.8917 10.7064 10.7259 10.9624 10.9889 11.0110 11.0554 11.4052 11.4855 k = 0.1538-0.1538 0.0000 ( 6891 PWs) bands (ev): -8.6274 -8.6217 -8.6153 -8.5936 -8.5299 -8.4862 -8.4665 -8.4637 -7.9811 -7.9100 -7.8145 -7.7439 -7.7064 -7.7014 -7.6430 -7.6276 -7.6181 -7.6090 -7.5998 -7.5903 -7.0005 -6.9976 -5.7564 -5.7494 -5.7251 -5.7058 -5.6571 -5.6446 0.3469 0.3596 1.0427 1.0809 1.9948 2.0061 2.6704 2.7045 2.7919 2.8047 3.0044 3.0086 3.4685 3.4902 3.5531 3.5608 3.6049 3.6160 3.6706 3.6754 3.9286 3.9718 4.0585 4.0949 5.0297 5.0564 5.1164 5.1624 5.1875 5.2257 5.2678 5.3317 5.3763 5.4302 5.6029 5.6178 5.6816 5.7099 6.0313 6.0432 6.7328 6.7555 6.9404 6.9612 8.0264 8.0439 9.1556 9.1591 9.7880 9.8151 10.7238 10.7542 10.9609 10.9842 11.0371 11.0886 11.4322 11.5108 k = 0.1410-0.1410 0.0000 ( 6893 PWs) bands (ev): -8.6266 -8.6220 -8.6153 -8.5948 -8.5278 -8.4871 -8.4652 -8.4629 -7.9791 -7.9135 -7.8099 -7.7455 -7.7058 -7.7013 -7.6401 -7.6254 -7.6179 -7.6096 -7.5990 -7.5905 -7.0233 -7.0200 -5.7441 -5.7379 -5.7156 -5.6964 -5.6544 -5.6449 0.3364 0.3479 1.0576 1.0946 2.0089 2.0242 2.6627 2.6871 2.7758 2.7805 3.0511 3.0648 3.4449 3.4688 3.5397 3.5504 3.6085 3.6218 3.6779 3.6913 3.9232 3.9651 4.0473 4.0860 5.0285 5.0453 5.1036 5.1537 5.1767 5.2179 5.2734 5.3383 5.3710 5.4351 5.5846 5.6058 5.6667 5.6936 6.0846 6.0968 6.7716 6.7922 6.9520 6.9718 7.9485 7.9637 9.1450 9.1455 9.7064 9.7323 10.7378 10.7754 10.9579 10.9772 11.0798 11.1339 11.4662 11.5416 k = 0.1282-0.1282 0.0000 ( 6891 PWs) bands (ev): -8.6260 -8.6222 -8.6153 -8.5961 -8.5256 -8.4882 -8.4640 -8.4621 -7.9769 -7.9170 -7.8053 -7.7472 -7.7052 -7.7012 -7.6374 -7.6234 -7.6175 -7.6102 -7.5982 -7.5907 -7.0445 -7.0409 -5.7326 -5.7271 -5.7073 -5.6880 -5.6512 -5.6448 0.3259 0.3363 1.0706 1.1061 2.0228 2.0412 2.6564 2.6701 2.7597 2.7689 3.0951 3.1176 3.4184 3.4438 3.5191 3.5362 3.6075 3.6210 3.6994 3.7182 3.9190 3.9594 4.0370 4.0767 5.0274 5.0337 5.0925 5.1424 5.1673 5.2098 5.2802 5.3457 5.3692 5.4409 5.5666 5.5953 5.6526 5.6768 6.1432 6.1555 6.8076 6.8261 6.9635 6.9823 7.8677 7.8812 9.1302 9.1332 9.6221 9.6473 10.7498 10.7910 10.9565 10.9733 11.1305 11.1861 11.5041 11.5743 k = 0.1154-0.1154 0.0000 ( 6893 PWs) bands (ev): -8.6253 -8.6224 -8.6152 -8.5974 -8.5235 -8.4893 -8.4630 -8.4613 -7.9746 -7.9204 -7.8010 -7.7489 -7.7047 -7.7012 -7.6347 -7.6216 -7.6171 -7.6108 -7.5974 -7.5908 -7.0641 -7.0603 -5.7220 -5.7171 -5.7003 -5.6811 -5.6477 -5.6440 0.3158 0.3249 1.0819 1.1153 2.0359 2.0567 2.6512 2.6561 2.7478 2.7654 3.1340 3.1651 3.3902 3.4159 3.4984 3.5212 3.6051 3.6169 3.7265 3.7475 3.9162 3.9549 4.0277 4.0673 5.0221 5.0265 5.0831 5.1291 5.1597 5.2015 5.2882 5.3537 5.3702 5.4470 5.5491 5.5862 5.6392 5.6602 6.2068 6.2190 6.8402 6.8565 6.9751 6.9929 7.7844 7.7964 9.1134 9.1199 9.5388 9.5637 10.7603 10.8025 10.9572 10.9721 11.1861 11.2426 11.5426 11.6041 k = 0.1026-0.1026 0.0000 ( 6907 PWs) bands (ev): -8.6248 -8.6226 -8.6149 -8.5986 -8.5213 -8.4907 -8.4621 -8.4607 -7.9721 -7.9238 -7.7968 -7.7508 -7.7042 -7.7011 -7.6323 -7.6201 -7.6167 -7.6113 -7.5965 -7.5908 -7.0818 -7.0780 -5.7124 -5.7080 -5.6944 -5.6761 -5.6438 -5.6421 0.3060 0.3140 1.0916 1.1225 2.0480 2.0699 2.6439 2.6496 2.7425 2.7667 3.1655 3.2044 3.3614 3.3862 3.4805 3.5081 3.6033 3.6132 3.7535 3.7755 3.9148 3.9515 4.0194 4.0579 5.0112 5.0255 5.0750 5.1143 5.1537 5.1935 5.2972 5.3619 5.3736 5.4534 5.5321 5.5785 5.6268 5.6438 6.2750 6.2868 6.8688 6.8829 6.9870 7.0038 7.6988 7.7096 9.0946 9.1046 9.4598 9.4849 10.7698 10.8111 10.9597 10.9730 11.2445 11.3016 11.5769 11.6237 k = 0.0897-0.0897 0.0000 ( 6905 PWs) bands (ev): -8.6244 -8.6227 -8.6145 -8.5999 -8.5191 -8.4920 -8.4612 -8.4600 -7.9696 -7.9271 -7.7927 -7.7527 -7.7037 -7.7011 -7.6300 -7.6190 -7.6162 -7.6116 -7.5957 -7.5909 -7.0977 -7.0940 -5.7039 -5.6999 -5.6895 -5.6730 -5.6401 -5.6387 0.2970 0.3039 1.0997 1.1277 2.0585 2.0806 2.6380 2.6482 2.7435 2.7719 3.1872 3.2320 3.3329 3.3558 3.4684 3.4990 3.6031 3.6110 3.7781 3.8003 3.9153 3.9494 4.0123 4.0489 5.0016 5.0245 5.0680 5.0990 5.1492 5.1858 5.3071 5.3701 5.3787 5.4597 5.5160 5.5723 5.6151 5.6281 6.3475 6.3589 6.8928 6.9049 6.9996 7.0151 7.6112 7.6212 9.0734 9.0867 9.3887 9.4141 10.7787 10.8175 10.9635 10.9753 11.3036 11.3616 11.6003 11.6260 k = 0.0769-0.0769 0.0000 ( 6907 PWs) bands (ev): -8.6241 -8.6227 -8.6140 -8.6012 -8.5169 -8.4936 -8.4604 -8.4594 -7.9669 -7.9304 -7.7888 -7.7547 -7.7033 -7.7011 -7.6279 -7.6182 -7.6157 -7.6117 -7.5948 -7.5908 -7.1116 -7.1081 -5.6969 -5.6929 -5.6852 -5.6715 -5.6362 -5.6345 0.2888 0.2946 1.1065 1.1312 2.0676 2.0886 2.6363 2.6489 2.7499 2.7802 3.1975 3.2445 3.3064 3.3263 3.4644 3.4947 3.6047 3.6109 3.7994 3.8207 3.9181 3.9486 4.0065 4.0403 4.9937 5.0234 5.0619 5.0837 5.1459 5.1786 5.3177 5.3778 5.3848 5.4651 5.5015 5.5674 5.6035 5.6136 6.4240 6.4348 6.9120 6.9224 7.0126 7.0265 7.5219 7.5314 9.0495 9.0651 9.3286 9.3537 10.7869 10.8222 10.9681 10.9786 11.3607 11.4199 11.6066 11.6168 k = 0.0641-0.0641 0.0000 ( 6897 PWs) bands (ev): -8.6238 -8.6228 -8.6133 -8.6024 -8.5147 -8.4951 -8.4597 -8.4589 -7.9641 -7.9336 -7.7850 -7.7567 -7.7029 -7.7011 -7.6261 -7.6179 -7.6152 -7.6117 -7.5939 -7.5907 -7.1235 -7.1203 -5.6914 -5.6870 -5.6811 -5.6711 -5.6322 -5.6305 0.2816 0.2864 1.1122 1.1333 2.0750 2.0941 2.6384 2.6514 2.7606 2.7906 3.1966 3.2413 3.2831 3.2999 3.4682 3.4948 3.6082 3.6129 3.8168 3.8360 3.9232 3.9488 4.0020 4.0323 4.9878 5.0219 5.0566 5.0694 5.1439 5.1719 5.3289 5.3849 5.3914 5.4665 5.4919 5.5640 5.5912 5.6015 6.5040 6.5140 6.9268 6.9357 7.0256 7.0376 7.4315 7.4408 9.0237 9.0397 9.2817 9.3050 10.7944 10.8252 10.9731 10.9821 11.4110 11.4701 11.6023 11.6142 k = 0.0513-0.0513 0.0000 ( 6921 PWs) bands (ev): -8.6237 -8.6229 -8.6126 -8.6038 -8.5126 -8.4968 -8.4592 -8.4586 -7.9614 -7.9369 -7.7815 -7.7590 -7.7026 -7.7011 -7.6245 -7.6179 -7.6147 -7.6117 -7.5932 -7.5907 -7.1333 -7.1306 -5.6876 -5.6823 -5.6772 -5.6711 -5.6285 -5.6269 0.2756 0.2794 1.1169 1.1341 2.0810 2.0972 2.6433 2.6552 2.7741 2.8019 3.1875 3.2260 3.2639 3.2778 3.4765 3.4972 3.6133 3.6167 3.8305 3.8463 3.9302 3.9500 3.9988 4.0249 4.9842 5.0195 5.0519 5.0568 5.1429 5.1659 5.3406 5.3908 5.3979 5.4591 5.4921 5.5619 5.5778 5.5919 6.5869 6.5959 6.9373 6.9453 7.0378 7.0476 7.3406 7.3498 8.9973 9.0119 9.2480 9.2680 10.8013 10.8269 10.9781 10.9856 11.4472 11.4969 11.6169 11.6263 k = 0.0385-0.0385 0.0000 ( 6927 PWs) bands (ev): -8.6235 -8.6229 -8.6118 -8.6051 -8.5104 -8.4986 -8.4588 -8.4583 -7.9585 -7.9401 -7.7782 -7.7613 -7.7022 -7.7012 -7.6231 -7.6182 -7.6141 -7.6117 -7.5925 -7.5906 -7.1409 -7.1387 -5.6848 -5.6793 -5.6739 -5.6709 -5.6252 -5.6240 0.2709 0.2737 1.1209 1.1339 2.0858 2.0984 2.6497 2.6594 2.7889 2.8126 3.1748 3.2052 3.2489 3.2599 3.4854 3.5001 3.6193 3.6215 3.8407 3.8524 3.9378 3.9515 3.9972 4.0182 4.9830 5.0151 5.0476 5.0481 5.1429 5.1605 5.3525 5.3949 5.4040 5.4474 5.4983 5.5608 5.5647 5.5841 6.6718 6.6797 6.9441 6.9514 7.0484 7.0559 7.2503 7.2597 8.9733 8.9850 9.2259 9.2414 10.8075 10.8273 10.9827 10.9885 11.4647 11.4971 11.6557 11.6626 k = 0.0256-0.0256 0.0000 ( 6925 PWs) bands (ev): -8.6234 -8.6230 -8.6108 -8.6063 -8.5083 -8.5004 -8.4584 -8.4581 -7.9555 -7.9433 -7.7750 -7.7637 -7.7020 -7.7013 -7.6219 -7.6186 -7.6135 -7.6118 -7.5918 -7.5906 -7.1462 -7.1447 -5.6827 -5.6782 -5.6714 -5.6701 -5.6227 -5.6219 0.2676 0.2695 1.1242 1.1330 2.0896 2.0983 2.6561 2.6629 2.8032 2.8207 3.1636 3.1849 3.2383 3.2458 3.4928 3.5021 3.6249 3.6263 3.8480 3.8556 3.9446 3.9528 3.9972 4.0121 4.9843 5.0085 5.0426 5.0449 5.1439 5.1557 5.3646 5.3962 5.4095 5.4357 5.5067 5.5508 5.5623 5.5775 6.7575 6.7639 6.9465 6.9536 7.0567 7.0618 7.1632 7.1727 8.9543 8.9623 9.2128 9.2232 10.8130 10.8265 10.9865 10.9905 11.4697 11.4883 11.7040 11.7151 k = 0.0128-0.0128 0.0000 ( 6919 PWs) bands (ev): -8.6233 -8.6231 -8.6097 -8.6075 -8.5062 -8.5022 -8.4582 -8.4580 -7.9525 -7.9464 -7.7719 -7.7663 -7.7017 -7.7014 -7.6209 -7.6192 -7.6129 -7.6120 -7.5913 -7.5907 -7.1492 -7.1485 -5.6810 -5.6786 -5.6697 -5.6692 -5.6211 -5.6207 0.2658 0.2667 1.1271 1.1315 2.0927 2.0971 2.6613 2.6648 2.8150 2.8244 3.1576 3.1687 3.2323 3.2361 3.4981 3.5025 3.6290 3.6296 3.8528 3.8565 3.9496 3.9533 3.9990 4.0068 4.9879 5.0008 5.0408 5.0425 5.1457 5.1517 5.3763 5.3937 5.4144 5.4261 5.5163 5.5385 5.5643 5.5720 6.8410 6.8446 6.9406 6.9473 7.0615 7.0639 7.0890 7.0971 8.9428 8.9468 9.2068 9.2120 10.8177 10.8246 10.9894 10.9914 11.4712 11.4797 11.7572 11.7651 k = 0.0000 0.0000 0.0000 ( 6911 PWs) bands (ev): -8.6232 -8.6232 -8.6086 -8.6086 -8.5041 -8.5041 -8.4580 -8.4580 -7.9494 -7.9494 -7.7690 -7.7690 -7.7015 -7.7015 -7.6199 -7.6199 -7.6124 -7.6124 -7.5909 -7.5909 -7.1500 -7.1500 -5.6796 -5.6796 -5.6690 -5.6690 -5.6204 -5.6204 0.2655 0.2655 1.1295 1.1295 2.0952 2.0952 2.6644 2.6644 2.8225 2.8225 3.1592 3.1592 3.2315 3.2315 3.5013 3.5013 3.6306 3.6306 3.8556 3.8556 3.9524 3.9524 4.0023 4.0023 4.9936 4.9936 5.0410 5.0410 5.1484 5.1484 5.3866 5.3866 5.4195 5.4195 5.5270 5.5270 5.5676 5.5676 6.9079 6.9079 6.9144 6.9144 7.0527 7.0527 7.0690 7.0690 8.9401 8.9401 9.2066 9.2066 10.8216 10.8216 10.9911 10.9911 11.4739 11.4739 11.7942 11.7942 k = 0.0000 0.0000 0.0000 ( 6911 PWs) bands (ev): -8.6232 -8.6232 -8.6086 -8.6086 -8.5041 -8.5041 -8.4580 -8.4580 -7.9494 -7.9494 -7.7690 -7.7690 -7.7015 -7.7015 -7.6199 -7.6199 -7.6124 -7.6124 -7.5909 -7.5909 -7.1500 -7.1500 -5.6796 -5.6796 -5.6690 -5.6690 -5.6204 -5.6204 0.2655 0.2655 1.1295 1.1295 2.0952 2.0952 2.6644 2.6644 2.8225 2.8225 3.1592 3.1592 3.2315 3.2315 3.5013 3.5013 3.6306 3.6306 3.8556 3.8556 3.9524 3.9524 4.0023 4.0023 4.9936 4.9936 5.0410 5.0410 5.1484 5.1484 5.3866 5.3866 5.4195 5.4195 5.5270 5.5270 5.5676 5.5676 6.9079 6.9079 6.9144 6.9144 7.0527 7.0527 7.0690 7.0690 8.9401 8.9401 9.2066 9.2066 10.8216 10.8216 10.9911 10.9911 11.4739 11.4739 11.7942 11.7942 k =-0.0161 0.0000 0.0080 ( 6921 PWs) bands (ev): -8.6233 -8.6230 -8.6097 -8.6075 -8.5060 -8.5025 -8.4582 -8.4580 -7.9521 -7.9467 -7.7715 -7.7667 -7.7016 -7.7014 -7.6207 -7.6194 -7.6129 -7.6121 -7.5913 -7.5908 -7.1492 -7.1485 -5.6811 -5.6790 -5.6698 -5.6689 -5.6211 -5.6206 0.2659 0.2667 1.1271 1.1310 2.0929 2.0969 2.6622 2.6655 2.8165 2.8250 3.1577 3.1673 3.2320 3.2355 3.4985 3.5025 3.6293 3.6299 3.8530 3.8564 3.9501 3.9532 3.9994 4.0057 4.9882 4.9996 5.0415 5.0425 5.1459 5.1513 5.3775 5.3928 5.4156 5.4252 5.5177 5.5370 5.5646 5.5713 6.8429 6.8476 6.9389 6.9458 7.0595 7.0612 7.0908 7.0982 8.9422 8.9459 9.2065 9.2112 10.8169 10.8224 10.9869 10.9890 11.4716 11.4755 11.7600 11.7684 k =-0.0323 0.0000 0.0161 ( 6924 PWs) bands (ev): -8.6235 -8.6229 -8.6107 -8.6062 -8.5080 -8.5008 -8.4584 -8.4581 -7.9547 -7.9440 -7.7741 -7.7647 -7.7017 -7.7013 -7.6216 -7.6190 -7.6136 -7.6119 -7.5918 -7.5907 -7.1460 -7.1447 -5.6833 -5.6794 -5.6714 -5.6694 -5.6227 -5.6216 0.2678 0.2694 1.1240 1.1317 2.0900 2.0978 2.6591 2.6657 2.8077 2.8239 3.1629 3.1814 3.2370 3.2438 3.4944 3.5025 3.6258 3.6273 3.8490 3.8554 3.9460 3.9525 3.9969 4.0095 4.9839 5.0057 5.0440 5.0458 5.1441 5.1547 5.3680 5.3913 5.4188 5.4303 5.5092 5.5476 5.5627 5.5759 6.7628 6.7696 6.9443 6.9487 7.0547 7.0586 7.1644 7.1729 8.9521 8.9594 9.2108 9.2201 10.8079 10.8191 10.9759 10.9810 11.4670 11.4758 11.7067 11.7198 k =-0.0484 0.0000 0.0241 ( 6922 PWs) bands (ev): -8.6237 -8.6227 -8.6116 -8.6048 -8.5101 -8.4993 -8.4588 -8.4582 -7.9571 -7.9411 -7.7770 -7.7628 -7.7018 -7.7013 -7.6227 -7.6187 -7.6144 -7.6118 -7.5923 -7.5907 -7.1405 -7.1385 -5.6862 -5.6808 -5.6739 -5.6702 -5.6251 -5.6234 0.2713 0.2738 1.1201 1.1316 2.0865 2.0980 2.6551 2.6653 2.7970 2.8200 3.1738 3.2005 3.2458 3.2559 3.4888 3.5012 3.6204 3.6231 3.8432 3.8522 3.9402 3.9508 3.9950 4.0142 4.9811 5.0113 5.0481 5.0515 5.1430 5.1587 5.3586 5.3839 5.4273 5.4342 5.5012 5.5578 5.5630 5.5811 6.6807 6.6893 6.9398 6.9420 7.0458 7.0518 7.2523 7.2599 8.9699 8.9806 9.2193 9.2331 10.7940 10.8113 10.9564 10.9671 11.4551 11.4738 11.6587 11.6681 k =-0.0645 0.0000 0.0321 ( 6922 PWs) bands (ev): -8.6239 -8.6226 -8.6125 -8.6034 -8.5123 -8.4978 -8.4592 -8.4584 -7.9594 -7.9382 -7.7800 -7.7612 -7.7019 -7.7012 -7.6240 -7.6187 -7.6151 -7.6119 -7.5929 -7.5908 -7.1328 -7.1302 -5.6899 -5.6835 -5.6773 -5.6713 -5.6283 -5.6260 0.2764 0.2796 1.1155 1.1306 2.0827 2.0975 2.6495 2.6655 2.7849 2.8149 3.1891 3.2232 3.2578 3.2708 3.4819 3.4989 3.6131 3.6177 3.8356 3.8464 3.9330 3.9484 3.9940 4.0197 4.9799 5.0164 5.0532 5.0598 5.1425 5.1631 5.3496 5.3746 5.4362 5.4379 5.4937 5.5610 5.5718 5.5871 6.6000 6.6100 6.9291 6.9312 7.0341 7.0419 7.3445 7.3511 8.9954 9.0094 9.2319 9.2502 10.7744 10.7984 10.9271 10.9465 11.4301 11.4671 11.6216 11.6314 k =-0.0806 0.0000 0.0402 ( 6917 PWs) bands (ev): -8.6241 -8.6225 -8.6133 -8.6018 -8.5145 -8.4964 -8.4598 -8.4587 -7.9616 -7.9353 -7.7831 -7.7597 -7.7019 -7.7012 -7.6256 -7.6190 -7.6158 -7.6120 -7.5936 -7.5909 -7.1229 -7.1197 -5.6943 -5.6875 -5.6816 -5.6727 -5.6325 -5.6292 0.2830 0.2869 1.1105 1.1290 2.0787 2.0965 2.6419 2.6671 2.7716 2.8106 3.2070 3.2481 3.2721 3.2873 3.4743 3.4959 3.6044 3.6116 3.8259 3.8373 3.9248 3.9455 3.9940 4.0261 4.9807 5.0212 5.0588 5.0704 5.1428 5.1679 5.3411 5.3650 5.4374 5.4481 5.4867 5.5629 5.5830 5.5942 6.5219 6.5333 6.9134 6.9169 7.0200 7.0293 7.4385 7.4441 9.0285 9.0456 9.2482 9.2708 10.7478 10.7788 10.8883 10.9177 11.3949 11.4517 11.5966 11.6214 k =-0.0968 0.0000 0.0482 ( 6915 PWs) bands (ev): -8.6243 -8.6224 -8.6140 -8.6001 -8.5169 -8.4951 -8.4606 -8.4591 -7.9636 -7.9324 -7.7863 -7.7586 -7.7019 -7.7011 -7.6275 -7.6198 -7.6161 -7.6122 -7.5942 -7.5911 -7.1109 -7.1071 -5.6994 -5.6929 -5.6864 -5.6746 -5.6376 -5.6327 0.2910 0.2957 1.1051 1.1268 2.0746 2.0949 2.6323 2.6708 2.7577 2.8084 3.2262 3.2723 3.2886 3.3033 3.4667 3.4927 3.5947 3.6055 3.8137 3.8249 3.9163 3.9427 3.9953 4.0335 4.9834 5.0262 5.0648 5.0825 5.1439 5.1731 5.3331 5.3554 5.4372 5.4586 5.4799 5.5658 5.5930 5.6032 6.4474 6.4601 6.8934 6.8987 7.0038 7.0147 7.5331 7.5378 9.0691 9.0889 9.2680 9.2944 10.7127 10.7497 10.8439 10.8795 11.3603 11.4294 11.5907 11.6268 k =-0.1129 0.0000 0.0562 ( 6911 PWs) bands (ev): -8.6246 -8.6223 -8.6147 -8.5984 -8.5194 -8.4938 -8.4614 -8.4595 -7.9655 -7.9295 -7.7897 -7.7576 -7.7019 -7.7011 -7.6297 -7.6210 -7.6161 -7.6125 -7.5948 -7.5912 -7.0969 -7.0924 -5.7054 -5.6999 -5.6917 -5.6771 -5.6435 -5.6365 0.3004 0.3059 1.0994 1.1242 2.0707 2.0931 2.6209 2.6759 2.7443 2.8095 3.2453 3.2907 3.3092 3.3166 3.4607 3.4898 3.5846 3.5998 3.7990 3.8094 3.9082 3.9400 3.9980 4.0419 4.9881 5.0313 5.0711 5.0959 5.1460 5.1786 5.3258 5.3464 5.4362 5.4686 5.4737 5.5700 5.6013 5.6140 6.3770 6.3910 6.8691 6.8767 6.9859 6.9984 7.6276 7.6315 9.1169 9.1390 9.2908 9.3206 10.6670 10.7068 10.8012 10.8339 11.3341 11.4068 11.5979 11.6412 k =-0.1290 0.0000 0.0643 ( 6914 PWs) bands (ev): -8.6248 -8.6222 -8.6154 -8.5965 -8.5220 -8.4926 -8.4625 -8.4599 -7.9672 -7.9266 -7.7931 -7.7569 -7.7019 -7.7010 -7.6322 -7.6225 -7.6160 -7.6127 -7.5954 -7.5913 -7.0811 -7.0759 -5.7127 -5.7078 -5.6974 -5.6807 -5.6498 -5.6404 0.3112 0.3174 1.0937 1.1212 2.0672 2.0912 2.6082 2.6803 2.7340 2.8141 3.2632 3.3019 3.3225 3.3343 3.4581 3.4875 3.5747 3.5950 3.7820 3.7917 3.9007 3.9376 4.0020 4.0512 4.9947 5.0368 5.0773 5.1101 5.1490 5.1843 5.3192 5.3380 5.4345 5.4672 5.4788 5.5755 5.6087 5.6255 6.3112 6.3267 6.8407 6.8509 6.9667 6.9808 7.7215 7.7248 9.1715 9.1951 9.3165 9.3486 10.6090 10.6507 10.7643 10.7854 11.3180 11.3882 11.6125 11.6610 k =-0.1452 0.0000 0.0723 ( 6906 PWs) bands (ev): -8.6250 -8.6220 -8.6160 -8.5945 -8.5247 -8.4915 -8.4636 -8.4604 -7.9686 -7.9238 -7.7966 -7.7564 -7.7019 -7.7009 -7.6349 -7.6241 -7.6159 -7.6130 -7.5958 -7.5914 -7.0634 -7.0576 -5.7224 -5.7157 -5.7037 -5.6856 -5.6559 -5.6445 0.3232 0.3301 1.0881 1.1180 2.0641 2.0895 2.5946 2.6795 2.7318 2.8222 3.2782 3.3056 3.3245 3.3565 3.4604 3.4853 3.5657 3.5912 3.7632 3.7737 3.8940 3.9355 4.0075 4.0613 5.0029 5.0426 5.0836 5.1248 5.1530 5.1901 5.3132 5.3306 5.4327 5.4615 5.4882 5.5820 5.6158 5.6367 6.2506 6.2676 6.8083 6.8214 6.9462 6.9623 7.8143 7.8174 9.2324 9.2558 9.3456 9.3777 10.5409 10.5868 10.7300 10.7393 11.3103 11.3741 11.6311 11.6838 k =-0.1613 0.0000 0.0803 ( 6906 PWs) bands (ev): -8.6253 -8.6219 -8.6165 -8.5924 -8.5275 -8.4904 -8.4649 -8.4609 -7.9699 -7.9211 -7.8000 -7.7562 -7.7020 -7.7006 -7.6378 -7.6258 -7.6158 -7.6132 -7.5962 -7.5914 -7.0440 -7.0375 -5.7344 -5.7237 -5.7108 -5.6922 -5.6614 -5.6486 0.3365 0.3441 1.0828 1.1148 2.0618 2.0880 2.5805 2.6710 2.7404 2.8335 3.2873 3.2993 3.3258 3.3758 3.4661 3.4823 3.5580 3.5880 3.7443 3.7575 3.8879 3.9336 4.0143 4.0720 5.0124 5.0487 5.0897 5.1399 5.1580 5.1959 5.3080 5.3245 5.4310 5.4563 5.4971 5.5896 5.6226 5.6471 6.1955 6.2141 6.7723 6.7885 6.9247 6.9428 7.9054 7.9090 9.2973 9.3171 9.3824 9.4073 10.4686 10.5202 10.6906 10.7027 11.3082 11.3636 11.6516 11.7068 k =-0.1774 0.0000 0.0884 ( 6900 PWs) bands (ev): -8.6255 -8.6217 -8.6170 -8.5902 -8.5304 -8.4894 -8.4664 -8.4615 -7.9710 -7.9185 -7.8035 -7.7562 -7.7021 -7.7002 -7.6408 -7.6275 -7.6157 -7.6134 -7.5965 -7.5914 -7.0231 -7.0158 -5.7483 -5.7325 -5.7185 -5.7000 -5.6659 -5.6527 0.3508 0.3591 1.0779 1.1118 2.0604 2.0869 2.5664 2.6584 2.7561 2.8477 3.2802 3.2913 3.3302 3.3911 3.4678 3.4809 3.5515 3.5851 3.7282 3.7448 3.8824 3.9319 4.0222 4.0832 5.0226 5.0550 5.0958 5.1549 5.1641 5.2015 5.3034 5.3197 5.4296 5.4515 5.5056 5.5979 5.6291 5.6566 6.1463 6.1667 6.7331 6.7523 6.9023 6.9225 7.9947 7.9992 9.3529 9.3775 9.4345 9.4416 10.3979 10.4550 10.6497 10.6711 11.3091 11.3557 11.6721 11.7251 k =-0.1935 0.0000 0.0964 ( 6901 PWs) bands (ev): -8.6257 -8.6215 -8.6175 -8.5879 -8.5334 -8.4884 -8.4680 -8.4620 -7.9718 -7.9161 -7.8068 -7.7565 -7.7023 -7.6997 -7.6438 -7.6293 -7.6156 -7.6136 -7.5968 -7.5914 -7.0007 -6.9926 -5.7639 -5.7430 -5.7268 -5.7084 -5.6698 -5.6568 0.3662 0.3751 1.0735 1.1090 2.0599 2.0865 2.5525 2.6445 2.7760 2.8644 3.2594 3.2826 3.3366 3.4013 3.4566 3.4846 3.5460 3.5826 3.7176 3.7372 3.8774 3.9302 4.0311 4.0947 5.0326 5.0619 5.1021 5.1679 5.1725 5.2068 5.2996 5.3165 5.4289 5.4474 5.5139 5.6063 5.6354 5.6650 6.1032 6.1255 6.6912 6.7133 6.8791 6.9014 8.0819 8.0876 9.3859 9.4329 9.4838 9.5130 10.3331 10.3952 10.6106 10.6403 11.3111 11.3493 11.6902 11.7353 k =-0.2097 0.0000 0.1044 ( 6896 PWs) bands (ev): -8.6260 -8.6214 -8.6178 -8.5854 -8.5364 -8.4875 -8.4697 -8.4626 -7.9724 -7.9138 -7.8100 -7.7570 -7.7024 -7.6992 -7.6469 -7.6311 -7.6155 -7.6138 -7.5969 -7.5914 -6.9768 -6.9679 -5.7812 -5.7560 -5.7350 -5.7168 -5.6731 -5.6608 0.3825 0.3919 1.0699 1.1067 2.0604 2.0866 2.5391 2.6307 2.7987 2.8830 3.2346 3.2686 3.3421 3.4043 3.4381 3.4837 3.5440 3.5820 3.7136 3.7352 3.8726 3.9285 4.0406 4.1061 5.0416 5.0694 5.1088 5.1761 5.1854 5.2118 5.2965 5.3151 5.4289 5.4441 5.5220 5.6140 5.6419 5.6723 6.0665 6.0908 6.6470 6.6718 6.8552 6.8795 8.1666 8.1738 9.4082 9.4617 9.5605 9.5983 10.2773 10.3438 10.5736 10.6104 11.3131 11.3439 11.7004 11.7427 k =-0.2258 0.0000 0.1125 ( 6893 PWs) bands (ev): -8.6262 -8.6214 -8.6179 -8.5829 -8.5395 -8.4867 -8.4715 -8.4632 -7.9727 -7.9119 -7.8129 -7.7578 -7.7027 -7.6985 -7.6499 -7.6329 -7.6154 -7.6139 -7.5970 -7.5914 -6.9517 -6.9419 -5.8000 -5.7719 -5.7427 -5.7248 -5.6761 -5.6647 0.3995 0.4095 1.0670 1.1048 2.0619 2.0875 2.5263 2.6173 2.8232 2.9029 3.2077 3.2510 3.3441 3.3939 3.4188 3.4765 3.5477 3.5848 3.7150 3.7379 3.8681 3.9267 4.0506 4.1173 5.0487 5.0774 5.1161 5.1829 5.1982 5.2168 5.2942 5.3158 5.4298 5.4417 5.5300 5.6198 5.6498 5.6786 6.0361 6.0624 6.6010 6.6284 6.8307 6.8569 8.2487 8.2576 9.4243 9.4777 9.6505 9.6907 10.2324 10.3030 10.5387 10.5819 11.3142 11.3389 11.6997 11.7503 k =-0.2419 0.0000 0.1205 ( 6886 PWs) bands (ev): -8.6265 -8.6215 -8.6177 -8.5803 -8.5426 -8.4860 -8.4734 -8.4637 -7.9727 -7.9102 -7.8156 -7.7587 -7.7029 -7.6979 -7.6528 -7.6347 -7.6153 -7.6140 -7.5971 -7.5913 -6.9254 -6.9146 -5.8203 -5.7903 -5.7501 -5.7325 -5.6789 -5.6685 0.4171 0.4276 1.0650 1.1036 2.0645 2.0892 2.5145 2.6047 2.8489 2.9232 3.1799 3.2312 3.3376 3.3675 3.4049 3.4697 3.5557 3.5906 3.7196 3.7435 3.8637 3.9247 4.0606 4.1278 5.0541 5.0854 5.1241 5.1890 5.2092 5.2224 5.2926 5.3186 5.4316 5.4403 5.5382 5.6230 5.6596 5.6841 6.0119 6.0398 6.5538 6.5834 6.8056 6.8336 8.3279 8.3386 9.4355 9.4867 9.7472 9.7887 10.1992 10.2735 10.5064 10.5554 11.3142 11.3338 11.6931 11.7425 k =-0.2581 0.0000 0.1286 ( 6888 PWs) bands (ev): -8.6267 -8.6218 -8.6173 -8.5776 -8.5458 -8.4855 -8.4754 -8.4643 -7.9725 -7.9089 -7.8179 -7.7600 -7.7031 -7.6972 -7.6556 -7.6365 -7.6153 -7.6142 -7.5970 -7.5913 -6.8980 -6.8863 -5.8421 -5.8108 -5.7570 -5.7399 -5.6815 -5.6722 0.4352 0.4462 1.0641 1.1030 2.0681 2.0915 2.5036 2.5929 2.8747 2.9425 3.1523 3.2104 3.3151 3.3356 3.3975 3.4669 3.5658 3.5984 3.7257 3.7505 3.8594 3.9224 4.0704 4.1374 5.0581 5.0928 5.1323 5.1938 5.2172 5.2299 5.2914 5.3234 5.4339 5.4404 5.5464 5.6242 5.6711 5.6889 5.9935 6.0223 6.5056 6.5374 6.7801 6.8096 8.4041 8.4165 9.4427 9.4907 9.8490 9.8914 10.1772 10.2551 10.4774 10.5318 11.3127 11.3283 11.6854 11.7285 k =-0.2742 0.0000 0.1366 ( 6895 PWs) bands (ev): -8.6270 -8.6221 -8.6167 -8.5749 -8.5490 -8.4852 -8.4773 -8.4649 -7.9720 -7.9081 -7.8198 -7.7614 -7.7034 -7.6966 -7.6582 -7.6383 -7.6153 -7.6142 -7.5970 -7.5913 -6.8696 -6.8569 -5.8653 -5.8333 -5.7636 -5.7470 -5.6841 -5.6758 0.4536 0.4650 1.0641 1.1031 2.0726 2.0945 2.4938 2.5820 2.8995 2.9588 3.1262 3.1895 3.2796 3.3018 3.3979 3.4673 3.5766 3.6071 3.7317 3.7575 3.8551 3.9197 4.0796 4.1459 5.0611 5.0991 5.1403 5.1971 5.2222 5.2396 5.2905 5.3297 5.4364 5.4424 5.5549 5.6246 5.6837 5.6937 5.9799 6.0089 6.4572 6.4906 6.7543 6.7850 8.4769 8.4912 9.4473 9.4916 9.9548 9.9980 10.1650 10.2460 10.4527 10.5120 11.3098 11.3221 11.6789 11.7162 k =-0.2903 0.0000 0.1446 ( 6893 PWs) bands (ev): -8.6272 -8.6226 -8.6159 -8.5722 -8.5520 -8.4856 -8.4787 -8.4655 -7.9713 -7.9078 -7.8211 -7.7631 -7.7036 -7.6960 -7.6605 -7.6400 -7.6153 -7.6143 -7.5969 -7.5913 -6.8403 -6.8267 -5.8897 -5.8574 -5.7697 -5.7539 -5.6865 -5.6791 0.4721 0.4838 1.0651 1.1039 2.0779 2.0981 2.4851 2.5721 2.9211 2.9685 3.1039 3.1695 3.2409 3.2673 3.4029 3.4700 3.5876 3.6159 3.7369 3.7638 3.8507 3.9165 4.0881 4.1531 5.0635 5.1046 5.1472 5.1987 5.2258 5.2504 5.2898 5.3366 5.4389 5.4465 5.5634 5.6256 5.6951 5.7005 5.9702 5.9987 6.4089 6.4438 6.7283 6.7600 8.5465 8.5625 9.4511 9.4918 10.0620 10.1066 10.1613 10.2445 10.4340 10.4973 11.3052 11.3149 11.6747 11.7068 k =-0.3065 0.0000 0.1527 ( 6880 PWs) bands (ev): -8.6274 -8.6230 -8.6149 -8.5695 -8.5548 -8.4867 -8.4794 -8.4661 -7.9702 -7.9080 -7.8219 -7.7649 -7.7037 -7.6955 -7.6625 -7.6417 -7.6152 -7.6144 -7.5967 -7.5913 -6.8102 -6.7956 -5.9153 -5.8829 -5.7756 -5.7605 -5.6888 -5.6823 0.4906 0.5024 1.0672 1.1054 2.0839 2.1023 2.4777 2.5632 2.9357 2.9674 3.0883 3.1500 3.2054 3.2367 3.4108 3.4746 3.5983 3.6242 3.7407 3.7689 3.8463 3.9128 4.0956 4.1589 5.0654 5.1093 5.1526 5.1991 5.2287 5.2617 5.2893 5.3435 5.4419 5.4521 5.5719 5.6283 5.7019 5.7130 5.9631 5.9907 6.3613 6.3972 6.7022 6.7347 8.6127 8.6305 9.4555 9.4930 10.1445 10.1787 10.2174 10.2558 10.4234 10.4894 11.2990 11.3066 11.6732 11.7008 k =-0.3226 0.0000 0.1607 ( 6875 PWs) bands (ev): -8.6276 -8.6235 -8.6137 -8.5674 -8.5571 -8.4888 -8.4794 -8.4667 -7.9689 -7.9087 -7.8222 -7.7669 -7.7039 -7.6952 -7.6642 -7.6434 -7.6152 -7.6144 -7.5965 -7.5913 -6.7795 -6.7640 -5.9418 -5.9096 -5.7810 -5.7668 -5.6910 -5.6854 0.5087 0.5205 1.0704 1.1076 2.0906 2.1071 2.4716 2.5552 2.9371 2.9546 3.0794 3.1269 3.1798 3.2172 3.4208 3.4810 3.6085 3.6317 3.7428 3.7725 3.8418 3.9083 4.1022 4.1632 5.0671 5.1133 5.1563 5.1984 5.2313 5.2730 5.2887 5.3498 5.4456 5.4584 5.5805 5.6334 5.7081 5.7271 5.9573 5.9842 6.3147 6.3513 6.6764 6.7092 8.6758 8.6950 9.4616 9.4968 10.1533 10.2192 10.3120 10.3344 10.4247 10.4915 11.2912 11.2971 11.6743 11.6981 k =-0.3387 0.0000 0.1687 ( 6874 PWs) bands (ev): -8.6277 -8.6239 -8.6125 -8.5668 -8.5577 -8.4913 -8.4791 -8.4673 -7.9674 -7.9100 -7.8218 -7.7691 -7.7040 -7.6950 -7.6655 -7.6450 -7.6152 -7.6144 -7.5963 -7.5914 -6.7483 -6.7320 -5.9692 -5.9374 -5.7859 -5.7727 -5.6931 -5.6882 0.5264 0.5381 1.0744 1.1102 2.0978 2.1123 2.4669 2.5482 2.9191 2.9361 3.0710 3.0994 3.1684 3.2143 3.4327 3.4893 3.6179 3.6384 3.7429 3.7743 3.8370 3.9030 4.1077 4.1661 5.0688 5.1165 5.1584 5.1969 5.2337 5.2838 5.2884 5.3554 5.4500 5.4648 5.5892 5.6412 5.7153 5.7415 5.9517 5.9785 6.2697 6.3066 6.6509 6.6838 8.7359 8.7563 9.4699 9.5035 10.1552 10.2210 10.4031 10.4257 10.4564 10.5181 11.2820 11.2866 11.6771 11.6978 k =-0.3548 0.0000 0.1768 ( 6873 PWs) bands (ev): -8.6279 -8.6244 -8.6111 -8.5682 -8.5561 -8.4942 -8.4786 -8.4679 -7.9655 -7.9117 -7.8210 -7.7715 -7.7041 -7.6951 -7.6663 -7.6467 -7.6152 -7.6145 -7.5960 -7.5915 -6.7168 -6.6998 -5.9973 -5.9661 -5.7904 -5.7783 -5.6951 -5.6908 0.5433 0.5547 1.0793 1.1133 2.1053 2.1179 2.4636 2.5422 2.8883 2.9108 3.0549 3.0735 3.1729 3.2248 3.4464 3.4991 3.6263 3.6441 3.7408 3.7741 3.8322 3.8968 4.1125 4.1677 5.0705 5.1190 5.1592 5.1948 5.2360 5.2859 5.2962 5.3603 5.4551 5.4710 5.5985 5.6514 5.7234 5.7558 5.9454 5.9732 6.2268 6.2635 6.6262 6.6585 8.7932 8.8145 9.4802 9.5127 10.1562 10.2158 10.4349 10.4772 10.5542 10.6015 11.2717 11.2754 11.6801 11.6985 k =-0.3710 0.0000 0.1848 ( 6876 PWs) bands (ev): -8.6280 -8.6249 -8.6096 -8.5707 -8.5535 -8.4973 -8.4781 -8.4685 -7.9635 -7.9140 -7.8196 -7.7741 -7.7041 -7.6954 -7.6668 -7.6483 -7.6152 -7.6145 -7.5958 -7.5916 -6.6851 -6.6676 -6.0256 -5.9953 -5.7945 -5.7835 -5.6969 -5.6932 0.5593 0.5701 1.0849 1.1166 2.1130 2.1238 2.4618 2.5371 2.8525 2.8784 3.0327 3.0512 3.1895 3.2423 3.4616 3.5105 3.6336 3.6490 3.7367 3.7718 3.8273 3.8898 4.1165 4.1680 5.0723 5.1205 5.1592 5.1924 5.2384 5.2843 5.3070 5.3647 5.4605 5.4766 5.6088 5.6634 5.7325 5.7695 5.9382 5.9679 6.1864 6.2223 6.6025 6.6339 8.8478 8.8696 9.4919 9.5236 10.1568 10.2088 10.4620 10.5044 10.6708 10.7103 11.2605 11.2639 11.6815 11.6975 k =-0.3871 0.0000 0.1928 ( 6876 PWs) bands (ev): -8.6281 -8.6253 -8.6080 -8.5735 -8.5503 -8.5005 -8.4775 -8.4690 -7.9612 -7.9166 -7.8178 -7.7768 -7.7040 -7.6959 -7.6668 -7.6499 -7.6152 -7.6145 -7.5955 -7.5917 -6.6537 -6.6358 -6.0540 -6.0248 -5.7980 -5.7882 -5.6985 -5.6954 0.5741 0.5842 1.0910 1.1200 2.1207 2.1300 2.4616 2.5329 2.8150 2.8423 3.0109 3.0307 3.2123 3.2627 3.4782 3.5233 3.6394 3.6533 3.7305 3.7672 3.8227 3.8820 4.1200 4.1672 5.0743 5.1209 5.1588 5.1898 5.2408 5.2820 5.3177 5.3686 5.4662 5.4813 5.6203 5.6764 5.7424 5.7825 5.9301 5.9622 6.1491 6.1836 6.5803 6.6100 8.8998 8.9215 9.5039 9.5345 10.1576 10.2020 10.4946 10.5342 10.7871 10.8206 11.2487 11.2528 11.6792 11.6914 k =-0.4032 0.0000 0.2009 ( 6875 PWs) bands (ev): -8.6281 -8.6257 -8.6062 -8.5765 -8.5469 -8.5038 -8.4769 -8.4696 -7.9587 -7.9195 -7.8157 -7.7796 -7.7039 -7.6965 -7.6665 -7.6515 -7.6152 -7.6146 -7.5952 -7.5919 -6.6228 -6.6049 -6.0819 -6.0542 -5.8010 -5.7924 -5.6999 -5.6973 0.5875 0.5967 1.0974 1.1233 2.1283 2.1362 2.4632 2.5297 2.7776 2.8052 2.9918 3.0118 3.2373 3.2837 3.4959 3.5372 3.6432 3.6575 3.7222 3.7602 3.8188 3.8736 4.1232 4.1654 5.0767 5.1200 5.1587 5.1869 5.2432 5.2793 5.3281 5.3720 5.4719 5.4851 5.6329 5.6896 5.7526 5.7939 5.9217 5.9559 6.1154 6.1478 6.5599 6.5875 8.9487 8.9698 9.5152 9.5442 10.1591 10.1964 10.5336 10.5699 10.8981 10.9259 11.2367 11.2423 11.6703 11.6774 k =-0.4194 0.0000 0.2089 ( 6881 PWs) bands (ev): -8.6281 -8.6261 -8.6043 -8.5794 -8.5435 -8.5073 -8.4763 -8.4702 -7.9560 -7.9227 -7.8132 -7.7826 -7.7036 -7.6972 -7.6660 -7.6530 -7.6152 -7.6147 -7.5949 -7.5921 -6.5929 -6.5755 -6.1086 -6.0829 -5.8034 -5.7962 -5.7011 -5.6990 0.5994 0.6074 1.1039 1.1262 2.1356 2.1423 2.4665 2.5272 2.7422 2.7692 2.9760 2.9950 3.2624 3.3036 3.5145 3.5521 3.6447 3.6617 3.7121 3.7507 3.8160 3.8647 4.1263 4.1628 5.0793 5.1179 5.1591 5.1839 5.2457 5.2763 5.3380 5.3747 5.4772 5.4882 5.6466 5.7020 5.7629 5.8034 5.9137 5.9489 6.0861 6.1155 6.5420 6.5666 8.9941 9.0138 9.5247 9.5513 10.1616 10.1924 10.5793 10.6123 10.9971 11.0210 11.2246 11.2326 11.6463 11.6634 k =-0.4355 0.0000 0.2169 ( 6878 PWs) bands (ev): -8.6281 -8.6265 -8.6023 -8.5823 -8.5399 -8.5108 -8.4757 -8.4708 -7.9530 -7.9260 -7.8105 -7.7856 -7.7033 -7.6981 -7.6652 -7.6546 -7.6152 -7.6147 -7.5946 -7.5923 -6.5648 -6.5485 -6.1332 -6.1103 -5.8053 -5.7995 -5.7020 -5.7004 0.6095 0.6162 1.1102 1.1285 2.1423 2.1478 2.4717 2.5253 2.7103 2.7359 2.9637 2.9804 3.2860 3.3209 3.5338 3.5678 3.6437 3.6655 3.7008 3.7393 3.8145 3.8558 4.1295 4.1596 5.0823 5.1148 5.1601 5.1808 5.2482 5.2731 5.3473 5.3768 5.4820 5.4905 5.6609 5.7126 5.7730 5.8101 5.9070 5.9411 6.0619 6.0872 6.5270 6.5479 9.0348 9.0524 9.5321 9.5553 10.1652 10.1897 10.6314 10.6610 11.0728 11.0999 11.2125 11.2233 11.6166 11.6528 k =-0.4516 0.0000 0.2250 ( 6879 PWs) bands (ev): -8.6280 -8.6268 -8.6002 -8.5851 -8.5363 -8.5144 -8.4750 -8.4714 -7.9500 -7.9294 -7.8077 -7.7887 -7.7029 -7.6989 -7.6642 -7.6561 -7.6151 -7.6148 -7.5942 -7.5925 -6.5395 -6.5253 -6.1545 -6.1353 -5.8066 -5.8022 -5.7027 -5.7015 0.6177 0.6229 1.1159 1.1300 2.1482 2.1524 2.4788 2.5232 2.6837 2.7066 2.9548 2.9682 3.3071 3.3346 3.5533 3.5841 3.6400 3.6676 3.6899 3.7268 3.8147 3.8470 4.1328 4.1560 5.0857 5.1109 5.1617 5.1777 5.2509 5.2697 5.3557 5.3779 5.4861 5.4922 5.6756 5.7199 5.7827 5.8137 5.9026 5.9328 6.0434 6.0636 6.5154 6.5319 9.0696 9.0841 9.5374 9.5562 10.1694 10.1879 10.6888 10.7143 11.1135 11.1514 11.2001 11.2138 11.6018 11.6528 k =-0.4677 0.0000 0.2330 ( 6880 PWs) bands (ev): -8.6279 -8.6271 -8.5979 -8.5879 -8.5327 -8.5180 -8.4744 -8.4720 -7.9467 -7.9329 -7.8046 -7.7919 -7.7025 -7.6998 -7.6630 -7.6576 -7.6151 -7.6148 -7.5939 -7.5928 -6.5182 -6.5075 -6.1706 -6.1565 -5.8073 -5.8044 -5.7032 -5.7024 0.6240 0.6275 1.1210 1.1305 2.1529 2.1558 2.4874 2.5200 2.6645 2.6824 2.9493 2.9586 3.3245 3.3436 3.5727 3.6009 3.6331 3.6628 3.6851 3.7143 3.8165 3.8387 4.1363 4.1520 5.0894 5.1066 5.1637 5.1746 5.2537 5.2664 5.3629 5.3777 5.4894 5.4932 5.6898 5.7228 5.7917 5.8141 5.9012 5.9241 6.0312 6.0452 6.5077 6.5191 9.0971 9.1075 9.5413 9.5546 10.1739 10.1863 10.7478 10.7680 11.1174 11.1548 11.1962 11.2068 11.6183 11.6699 k =-0.4839 0.0000 0.2410 ( 6877 PWs) bands (ev): -8.6278 -8.6274 -8.5956 -8.5905 -8.5290 -8.5216 -8.4738 -8.4726 -7.9434 -7.9364 -7.8015 -7.7951 -7.7019 -7.7005 -7.6618 -7.6590 -7.6150 -7.6149 -7.5936 -7.5930 -6.5029 -6.4971 -6.1797 -6.1722 -5.8074 -5.8060 -5.7034 -5.7030 0.6281 0.6299 1.1251 1.1299 2.1562 2.1577 2.4970 2.5145 2.6547 2.6647 2.9470 2.9518 3.3374 3.3472 3.5912 3.6175 3.6229 3.6502 3.6880 3.7032 3.8199 3.8312 4.1401 4.1480 5.0934 5.1022 5.1661 5.1716 5.2567 5.2630 5.3688 5.3763 5.4917 5.4935 5.7029 5.7205 5.7999 5.8116 5.9032 5.9156 6.0254 6.0326 6.5042 6.5100 9.1156 9.1211 9.5446 9.5515 10.1781 10.1843 10.7996 10.8117 11.1019 11.1222 11.2004 11.2038 11.6589 11.6956 k =-0.5000 0.0000 0.2491 ( 6878 PWs) bands (ev): -8.6276 -8.6276 -8.5931 -8.5931 -8.5253 -8.5253 -8.4732 -8.4732 -7.9399 -7.9399 -7.7983 -7.7983 -7.7013 -7.7013 -7.6604 -7.6604 -7.6150 -7.6150 -7.5933 -7.5933 -6.4955 -6.4955 -6.1803 -6.1803 -5.8070 -5.8070 -5.7033 -5.7033 0.6301 0.6301 1.1281 1.1281 2.1578 2.1578 2.5066 2.5066 2.6550 2.6550 2.9479 2.9479 3.3451 3.3451 3.6081 3.6081 3.6347 3.6347 3.6944 3.6944 3.8249 3.8249 4.1440 4.1440 5.0977 5.0977 5.1688 5.1688 5.2598 5.2598 5.3733 5.3733 5.4930 5.4930 5.7135 5.7135 5.8067 5.8067 5.9083 5.9083 6.0259 6.0259 6.5050 6.5050 9.1238 9.1238 9.5480 9.5480 10.1816 10.1816 10.8261 10.8261 11.0978 11.0978 11.2023 11.2023 11.6968 11.6968 k =-0.5000-0.5000 0.0012 ( 6872 PWs) bands (ev): -8.6309 -8.6309 -8.5885 -8.5885 -8.5249 -8.5249 -8.4843 -8.4843 -7.9492 -7.9492 -7.7873 -7.7873 -7.7046 -7.7046 -7.6860 -7.6860 -7.6145 -7.6145 -7.5906 -7.5906 -6.1876 -6.1876 -6.1722 -6.1722 -5.8891 -5.8891 -5.8499 -5.8499 0.4629 0.4629 0.4921 0.4921 1.8262 1.8262 1.8807 1.8807 3.0209 3.0209 3.0847 3.0847 3.7244 3.7244 3.7491 3.7491 3.9144 3.9144 3.9784 3.9784 4.1229 4.1229 4.1314 4.1314 5.0892 5.0892 5.2242 5.2242 5.3240 5.3240 5.3768 5.3768 5.7851 5.7851 5.8212 5.8212 6.2328 6.2328 6.2519 6.2519 6.5402 6.5402 6.5650 6.5650 8.0885 8.0885 8.1363 8.1363 10.2312 10.2312 10.2707 10.2707 11.6104 11.6104 11.6438 11.6438 11.9233 11.9233 k =-0.4872-0.4872 0.0012 ( 6870 PWs) bands (ev): -8.6318 -8.6299 -8.5899 -8.5871 -8.5271 -8.5225 -8.4851 -8.4835 -7.9533 -7.9449 -7.7925 -7.7821 -7.7056 -7.7036 -7.6874 -7.6845 -7.6149 -7.6141 -7.5910 -7.5903 -6.2058 -6.2030 -6.1598 -6.1540 -5.8973 -5.8801 -5.8584 -5.8395 0.4535 0.4692 0.4873 0.5029 1.8080 1.8402 1.8729 1.8998 2.9672 3.0255 3.0818 3.1363 3.7223 3.7257 3.7482 3.7499 3.9087 3.9154 3.9694 3.9833 4.1164 4.1203 4.1349 4.1380 5.0866 5.0919 5.2240 5.2242 5.3184 5.3287 5.3696 5.3837 5.7706 5.7985 5.8091 5.8337 6.2230 6.2297 6.2481 6.2490 6.5253 6.5425 6.5621 6.5794 8.0929 8.0985 8.1371 8.1498 10.2261 10.2335 10.2679 10.2701 11.5899 11.6094 11.6332 11.6654 11.9193 11.9292 k =-0.4744-0.4744 0.0011 ( 6871 PWs) bands (ev): -8.6326 -8.6289 -8.5915 -8.5858 -8.5293 -8.5202 -8.4858 -8.4826 -7.9573 -7.9404 -7.7977 -7.7770 -7.7066 -7.7025 -7.6888 -7.6829 -7.6153 -7.6137 -7.5915 -7.5899 -6.2295 -6.2277 -6.1408 -6.1332 -5.9043 -5.8738 -5.8612 -5.8278 0.4446 0.4658 0.4950 0.5160 1.7919 1.8372 1.8895 1.9241 2.9123 2.9744 3.1338 3.1885 3.7192 3.7259 3.7471 3.7505 3.8981 3.9120 3.9563 3.9844 4.1101 4.1137 4.1435 4.1456 5.0841 5.0948 5.2233 5.2239 5.3122 5.3317 5.3622 5.3898 5.7563 5.7947 5.8132 5.8454 6.2025 6.2149 6.2372 6.2383 6.5085 6.5284 6.5744 6.5946 8.1119 8.1218 8.1527 8.1766 10.2181 10.2328 10.2616 10.2662 11.5634 11.5781 11.6443 11.6814 11.9178 11.9355 k =-0.4615-0.4615 0.0011 ( 6869 PWs) bands (ev): -8.6334 -8.6279 -8.5930 -8.5846 -8.5314 -8.5177 -8.4865 -8.4816 -7.9611 -7.9359 -7.8029 -7.7720 -7.7075 -7.7015 -7.6901 -7.6812 -7.6156 -7.6133 -7.5920 -7.5896 -6.2556 -6.2538 -6.1226 -6.1135 -5.9097 -5.8763 -5.8528 -5.8151 0.4369 0.4594 0.5084 0.5307 1.7790 1.8291 1.9183 1.9525 2.8579 2.9227 3.1859 3.2396 3.7151 3.7251 3.7455 3.7509 3.8826 3.9046 3.9392 3.9821 4.1050 4.1080 4.1513 4.1536 5.0816 5.0977 5.2219 5.2237 5.3059 5.3324 5.3552 5.3950 5.7430 5.7831 5.8241 5.8556 6.1736 6.1916 6.2177 6.2190 6.4910 6.5122 6.5880 6.6098 8.1446 8.1568 8.1825 8.2148 10.2076 10.2292 10.2523 10.2596 11.5299 11.5425 11.6529 11.6907 11.9186 11.9407 k =-0.4487-0.4487 0.0011 ( 6881 PWs) bands (ev): -8.6341 -8.6269 -8.5946 -8.5836 -8.5334 -8.5153 -8.4870 -8.4807 -7.9648 -7.9312 -7.8082 -7.7671 -7.7086 -7.7004 -7.6914 -7.6795 -7.6160 -7.6129 -7.5925 -7.5893 -6.2836 -6.2811 -6.1052 -6.0947 -5.9135 -5.8802 -5.8405 -5.8017 0.4304 0.4534 0.5241 0.5470 1.7693 1.8229 1.9522 1.9845 2.8046 2.8721 3.2362 3.2888 3.7099 3.7230 3.7432 3.7511 3.8622 3.8936 3.9187 3.9771 4.1010 4.1035 4.1564 4.1623 5.0792 5.1007 5.2194 5.2234 5.2999 5.3304 5.3489 5.3988 5.7315 5.7729 5.8330 5.8639 6.1386 6.1622 6.1900 6.1918 6.4732 6.4957 6.6016 6.6250 8.1890 8.2018 8.2251 8.2623 10.1948 10.2226 10.2403 10.2509 11.4897 11.5052 11.6570 11.6931 11.9205 11.9462 k =-0.4359-0.4359 0.0010 ( 6892 PWs) bands (ev): -8.6347 -8.6258 -8.5962 -8.5826 -8.5353 -8.5129 -8.4875 -8.4798 -7.9682 -7.9265 -7.8134 -7.7624 -7.7095 -7.6993 -7.6925 -7.6777 -7.6164 -7.6125 -7.5931 -7.5890 -6.3130 -6.3096 -6.0887 -6.0769 -5.9159 -5.8830 -5.8272 -5.7880 0.4252 0.4486 0.5413 0.5646 1.7628 1.8196 1.9900 2.0199 2.7532 2.8234 3.2837 3.3354 3.7033 3.7194 3.7394 3.7511 3.8374 3.8786 3.8966 3.9702 4.0978 4.1001 4.1597 4.1706 5.0768 5.1038 5.2157 5.2231 5.2947 5.3258 5.3430 5.4011 5.7227 5.7647 5.8391 5.8698 6.0997 6.1286 6.1553 6.1581 6.4553 6.4791 6.6152 6.6402 8.2412 8.2565 8.2785 8.3166 10.1800 10.2128 10.2263 10.2413 11.4459 11.4650 11.6555 11.6884 11.9224 11.9556 k =-0.4231-0.4231 0.0010 ( 6905 PWs) bands (ev): -8.6353 -8.6248 -8.5979 -8.5818 -8.5370 -8.5104 -8.4879 -8.4788 -7.9714 -7.9216 -7.8186 -7.7578 -7.7105 -7.6981 -7.6936 -7.6759 -7.6167 -7.6121 -7.5937 -7.5888 -6.3436 -6.3394 -6.0728 -6.0599 -5.9167 -5.8843 -5.8135 -5.7741 0.4211 0.4449 0.5597 0.5836 1.7595 1.8193 2.0311 2.0585 2.7040 2.7771 3.3280 3.3788 3.6950 3.7134 3.7329 3.7508 3.8087 3.8580 3.8766 3.9623 4.0949 4.0973 4.1612 4.1781 5.0745 5.1070 5.2104 5.2229 5.2906 5.3195 5.3368 5.4018 5.7171 5.7590 5.8416 5.8729 6.0591 6.0926 6.1154 6.1200 6.4376 6.4626 6.6292 6.6556 8.2965 8.3207 8.3401 8.3756 10.1638 10.1999 10.2112 10.2322 11.4004 11.4217 11.6477 11.6764 11.9255 11.9700 k =-0.4103-0.4103 0.0010 ( 6901 PWs) bands (ev): -8.6357 -8.6238 -8.5995 -8.5811 -8.5386 -8.5079 -8.4881 -8.4779 -7.9744 -7.9167 -7.8237 -7.7534 -7.7115 -7.6969 -7.6946 -7.6739 -7.6170 -7.6116 -7.5943 -7.5886 -6.3752 -6.3702 -6.0573 -6.0434 -5.9160 -5.8841 -5.7997 -5.7603 0.4182 0.4422 0.5794 0.6038 1.7591 1.8217 2.0755 2.1002 2.6579 2.7337 3.3685 3.4183 3.6848 3.7038 3.7217 3.7500 3.7773 3.8336 3.8604 3.9540 4.0919 4.0947 4.1609 4.1845 5.0722 5.1104 5.2035 5.2229 5.2875 5.3126 5.3300 5.4010 5.7150 5.7561 5.8400 5.8724 6.0188 6.0555 6.0723 6.0798 6.4202 6.4463 6.6436 6.6712 8.3520 8.3927 8.4063 8.4384 10.1467 10.1845 10.1958 10.2245 11.3545 11.3761 11.6331 11.6571 11.9303 11.9820 k =-0.3974-0.3974 0.0009 ( 6906 PWs) bands (ev): -8.6360 -8.6228 -8.6010 -8.5806 -8.5401 -8.5055 -8.4883 -8.4770 -7.9772 -7.9117 -7.8287 -7.7492 -7.7124 -7.6959 -7.6951 -7.6720 -7.6172 -7.6111 -7.5949 -7.5885 -6.4076 -6.4021 -6.0421 -6.0274 -5.9140 -5.8825 -5.7860 -5.7469 0.4163 0.4405 0.6002 0.6252 1.7615 1.8268 2.1226 2.1445 2.6153 2.6939 3.4048 3.4533 3.6719 3.6885 3.7027 3.7422 3.7514 3.8107 3.8468 3.9460 4.0885 4.0921 4.1591 4.1899 5.0699 5.1138 5.1954 5.2228 5.2853 5.3057 5.3225 5.3989 5.7161 5.7555 5.8330 5.8675 5.9804 6.0182 6.0286 6.0400 6.4034 6.4305 6.6583 6.6869 8.4060 8.4697 8.4713 8.5059 10.1292 10.1676 10.1813 10.2190 11.3092 11.3293 11.6119 11.6309 11.9344 11.9823 k =-0.3846-0.3846 0.0009 ( 6904 PWs) bands (ev): -8.6362 -8.6218 -8.6026 -8.5802 -8.5413 -8.5030 -8.4883 -8.4761 -7.9797 -7.9067 -7.8337 -7.7453 -7.7133 -7.6965 -7.6938 -7.6699 -7.6175 -7.6107 -7.5955 -7.5884 -6.4406 -6.4348 -6.0270 -6.0116 -5.9106 -5.8795 -5.7728 -5.7340 0.4152 0.4396 0.6220 0.6477 1.7662 1.8339 2.1723 2.1913 2.5771 2.6581 3.4364 3.4834 3.6557 3.6646 3.6741 3.7122 3.7487 3.7930 3.8358 3.9383 4.0847 4.0892 4.1561 4.1939 5.0677 5.1174 5.1864 5.2228 5.2831 5.2995 5.3151 5.3957 5.7200 5.7563 5.8196 5.8573 5.9442 5.9817 5.9877 6.0036 6.3873 6.4155 6.6736 6.7029 8.4563 8.5293 8.5497 8.5795 10.1118 10.1501 10.1692 10.2164 11.2651 11.2825 11.5845 11.5988 11.9335 11.9813 k =-0.3718-0.3718 0.0009 ( 6902 PWs) bands (ev): -8.6364 -8.6209 -8.6041 -8.5799 -8.5424 -8.5006 -8.4882 -8.4752 -7.9819 -7.9016 -7.8387 -7.7418 -7.7141 -7.6972 -7.6922 -7.6678 -7.6177 -7.6101 -7.5962 -7.5882 -6.4741 -6.4682 -6.0120 -5.9961 -5.9060 -5.8753 -5.7601 -5.7217 0.4149 0.4394 0.6447 0.6712 1.7730 1.8428 2.2241 2.2401 2.5439 2.6269 3.4634 3.5080 3.6269 3.6353 3.6415 3.6831 3.7470 3.7805 3.8275 3.9310 4.0805 4.0860 4.1522 4.1967 5.0653 5.1210 5.1771 5.2229 5.2799 5.2946 5.3087 5.3919 5.7259 5.7561 5.7991 5.8420 5.9077 5.9502 5.9524 5.9723 6.3725 6.4017 6.6892 6.7190 8.5013 8.5789 8.6304 8.6567 10.0951 10.1327 10.1613 10.2175 11.2226 11.2367 11.5520 11.5621 11.9251 11.9762 k =-0.3590-0.3590 0.0008 ( 6900 PWs) bands (ev): -8.6364 -8.6201 -8.6056 -8.5798 -8.5433 -8.4982 -8.4880 -8.4744 -7.9839 -7.8964 -7.8435 -7.7387 -7.7148 -7.6979 -7.6904 -7.6657 -7.6179 -7.6096 -7.5969 -7.5882 -6.5079 -6.5020 -5.9970 -5.9807 -5.9002 -5.8699 -5.7480 -5.7103 0.4150 0.4396 0.6682 0.6955 1.7816 1.8527 2.2777 2.2904 2.5166 2.6010 3.4854 3.5260 3.5841 3.5949 3.6183 3.6543 3.7448 3.7717 3.8215 3.9235 4.0759 4.0828 4.1477 4.1981 5.0630 5.1247 5.1681 5.2229 5.2752 5.2904 5.3048 5.3877 5.7326 5.7499 5.7740 5.8231 5.8713 5.9218 5.9283 5.9465 6.3595 6.3897 6.7051 6.7353 8.5391 8.6192 8.7102 8.7343 10.0798 10.1163 10.1592 10.2231 11.1821 11.1928 11.5155 11.5221 11.9096 11.9624 k =-0.3462-0.3462 0.0008 ( 6894 PWs) bands (ev): -8.6363 -8.6194 -8.6069 -8.5799 -8.5439 -8.4958 -8.4877 -8.4736 -7.9856 -7.8913 -7.8482 -7.7360 -7.7153 -7.6985 -7.6883 -7.6634 -7.6181 -7.6091 -7.5976 -7.5881 -6.5420 -6.5362 -5.9819 -5.9654 -5.8933 -5.8635 -5.7368 -5.6997 0.4155 0.4401 0.6925 0.7207 1.7915 1.8631 2.3325 2.3416 2.4960 2.5808 3.5017 3.5259 3.5382 3.5595 3.5949 3.6248 3.7422 3.7647 3.8169 3.9150 4.0705 4.0799 4.1432 4.1980 5.0606 5.1285 5.1598 5.2228 5.2697 5.2859 5.3038 5.3831 5.7271 5.7388 5.7531 5.7980 5.8448 5.8960 5.9125 5.9259 6.3490 6.3801 6.7213 6.7517 8.5685 8.6494 8.7873 8.8100 10.0666 10.1017 10.1638 10.2339 11.1434 11.1520 11.4760 11.4805 11.8876 11.9399 k =-0.3333-0.3333 0.0008 ( 6890 PWs) bands (ev): -8.6362 -8.6188 -8.6083 -8.5800 -8.5443 -8.4936 -8.4872 -8.4728 -7.9871 -7.8861 -7.8529 -7.7339 -7.7156 -7.6990 -7.6861 -7.6612 -7.6182 -7.6086 -7.5982 -7.5881 -6.5761 -6.5705 -5.9666 -5.9501 -5.8854 -5.8561 -5.7264 -5.6900 0.4160 0.4405 0.7174 0.7466 1.8024 1.8733 2.3878 2.3931 2.4829 2.5669 3.4816 3.4873 3.5162 3.5518 3.5760 3.5956 3.7390 3.7585 3.8128 3.9050 4.0642 4.0778 4.1388 4.1965 5.0582 5.1322 5.1525 5.2226 5.2645 5.2811 5.3049 5.3780 5.6920 5.7353 5.7405 5.7664 5.8334 5.8740 5.9003 5.9100 6.3418 6.3738 6.7377 6.7680 8.5884 8.6684 8.8602 8.8819 10.0560 10.0897 10.1761 10.2504 11.1062 11.1152 11.4348 11.4385 11.8592 11.9102 k =-0.3205-0.3205 0.0008 ( 6893 PWs) bands (ev): -8.6360 -8.6183 -8.6095 -8.5804 -8.5445 -8.4914 -8.4867 -8.4721 -7.9883 -7.8810 -7.8574 -7.7325 -7.7156 -7.6995 -7.6837 -7.6589 -7.6184 -7.6081 -7.5989 -7.5881 -6.6101 -6.6049 -5.9513 -5.9348 -5.8765 -5.8478 -5.7168 -5.6814 0.4164 0.4407 0.7428 0.7731 1.8140 1.8828 2.4427 2.4441 2.4785 2.5597 3.4291 3.4346 3.5180 3.5311 3.5705 3.5750 3.7352 3.7524 3.8085 3.8930 4.0568 4.0761 4.1352 4.1935 5.0558 5.1356 5.1466 5.2222 5.2597 5.2767 5.3070 5.3719 5.6537 5.7138 5.7222 5.7538 5.8273 5.8551 5.8903 5.8990 6.3389 6.3716 6.7541 6.7843 8.5983 8.6759 8.9273 8.9485 10.0487 10.0810 10.1962 10.2727 11.0712 11.0825 11.3928 11.3970 11.8246 11.8743 k =-0.3077-0.3077 0.0007 ( 6905 PWs) bands (ev): -8.6357 -8.6180 -8.6106 -8.5809 -8.5445 -8.4895 -8.4859 -8.4715 -7.9892 -7.8760 -7.8618 -7.7317 -7.7153 -7.6999 -7.6811 -7.6566 -7.6186 -7.6076 -7.5997 -7.5882 -6.6439 -6.6392 -5.9358 -5.9196 -5.8668 -5.8387 -5.7082 -5.6737 0.4165 0.4405 0.7685 0.7999 1.8259 1.8912 2.4790 2.4956 2.4981 2.5596 3.3744 3.3791 3.5026 3.5064 3.5596 3.5774 3.7306 3.7461 3.8033 3.8790 4.0485 4.0739 4.1327 4.1890 5.0533 5.1367 5.1438 5.2217 5.2554 5.2729 5.3096 5.3644 5.6153 5.6774 5.7082 5.7526 5.8192 5.8380 5.8813 5.8931 6.3413 6.3745 6.7706 6.8004 8.5981 8.6720 8.9874 9.0082 10.0451 10.0761 10.2238 10.3005 11.0392 11.0535 11.3514 11.3565 11.7836 11.8325 k =-0.2949-0.2949 0.0007 ( 6907 PWs) bands (ev): -8.6353 -8.6179 -8.6116 -8.5814 -8.5442 -8.4880 -8.4848 -8.4709 -7.9899 -7.8717 -7.8653 -7.7314 -7.7147 -7.7003 -7.6783 -7.6542 -7.6186 -7.6071 -7.6004 -7.5883 -6.6775 -6.6733 -5.9202 -5.9044 -5.8563 -5.8290 -5.7005 -5.6670 0.4159 0.4395 0.7945 0.8270 1.8381 1.8984 2.4927 2.5413 2.5495 2.5672 3.3185 3.3225 3.4756 3.4831 3.5584 3.5790 3.7252 3.7393 3.7970 3.8631 4.0394 4.0706 4.1315 4.1831 5.0508 5.1332 5.1462 5.2212 5.2517 5.2696 5.3123 5.3551 5.5783 5.6400 5.6999 5.7514 5.8078 5.8214 5.8731 5.8905 6.3498 6.3833 6.7869 6.8163 8.5882 8.6572 9.0395 9.0601 10.0453 10.0752 10.2584 10.3335 11.0107 11.0280 11.3113 11.3172 11.7365 11.7854 k =-0.2821-0.2821 0.0007 ( 6916 PWs) bands (ev): -8.6348 -8.6179 -8.6125 -8.5822 -8.5437 -8.4870 -8.4832 -8.4704 -7.9903 -7.8721 -7.8640 -7.7317 -7.7140 -7.7006 -7.6754 -7.6519 -7.6187 -7.6066 -7.6012 -7.5884 -6.7106 -6.7070 -5.9045 -5.8892 -5.8452 -5.8187 -5.6936 -5.6613 0.4147 0.4377 0.8206 0.8542 1.8505 1.9046 2.5136 2.5773 2.5875 2.5987 3.2618 3.2657 3.4507 3.4599 3.5593 3.5789 3.7187 3.7316 3.7891 3.8457 4.0296 4.0656 4.1315 4.1759 5.0484 5.1285 5.1499 5.2204 5.2483 5.2668 5.3146 5.3438 5.5436 5.6040 5.6969 5.7503 5.7939 5.8045 5.8655 5.8884 6.3647 6.3982 6.8029 6.8319 8.5689 8.6325 9.0830 9.1032 10.0486 10.0779 10.2989 10.3709 10.9861 11.0060 11.2730 11.2793 11.6839 11.7338 k =-0.2692-0.2692 0.0006 ( 6921 PWs) bands (ev): -8.6343 -8.6181 -8.6132 -8.5829 -8.5430 -8.4864 -8.4814 -8.4698 -7.9904 -7.8758 -7.8593 -7.7323 -7.7131 -7.7009 -7.6724 -7.6495 -7.6188 -7.6061 -7.6019 -7.5886 -6.7432 -6.7403 -5.8888 -5.8742 -5.8335 -5.8079 -5.6875 -5.6565 0.4125 0.4349 0.8466 0.8813 1.8631 1.9103 2.5422 2.5998 2.6236 2.6422 3.2049 3.2095 3.4303 3.4411 3.5597 3.5771 3.7110 3.7230 3.7796 3.8274 4.0193 4.0590 4.1321 4.1674 5.0460 5.1235 5.1540 5.2190 5.2452 5.2644 5.3159 5.3313 5.5121 5.5698 5.6985 5.7502 5.7784 5.7874 5.8579 5.8854 6.3860 6.4193 6.8188 6.8471 8.5412 8.5988 9.1176 9.1374 10.0539 10.0830 10.3442 10.4116 10.9656 10.9874 11.2365 11.2428 11.6270 11.6793 k =-0.2564-0.2564 0.0006 ( 6917 PWs) bands (ev): -8.6337 -8.6184 -8.6138 -8.5838 -8.5421 -8.4858 -8.4795 -8.4693 -7.9903 -7.8798 -7.8543 -7.7331 -7.7122 -7.7010 -7.6692 -7.6470 -7.6188 -7.6056 -7.6026 -7.5887 -6.7752 -6.7729 -5.8730 -5.8593 -5.8213 -5.7967 -5.6823 -5.6526 0.4093 0.4310 0.8723 0.9081 1.8762 1.9159 2.5777 2.6269 2.6542 2.6792 3.1485 3.1542 3.4165 3.4294 3.5590 3.5738 3.7020 3.7132 3.7686 3.8084 4.0087 4.0510 4.1325 4.1577 5.0437 5.1183 5.1581 5.2162 5.2427 5.2622 5.3117 5.3223 5.4846 5.5377 5.7030 5.7499 5.7631 5.7719 5.8507 5.8812 6.4133 6.4461 6.8342 6.8619 8.5057 8.5573 9.1437 9.1628 10.0592 10.0887 10.3932 10.4548 10.9494 10.9725 11.2013 11.2075 11.5685 11.6246 k =-0.2436-0.2436 0.0006 ( 6915 PWs) bands (ev): -8.6330 -8.6188 -8.6142 -8.5848 -8.5410 -8.4855 -8.4776 -8.4687 -7.9899 -7.8839 -7.8491 -7.7342 -7.7114 -7.7012 -7.6660 -7.6445 -7.6188 -7.6053 -7.6032 -7.5889 -6.8065 -6.8048 -5.8574 -5.8446 -5.8088 -5.7852 -5.6777 -5.6495 0.4049 0.4258 0.8975 0.9343 1.8898 1.9219 2.6194 2.6589 2.6777 2.7082 3.0933 3.1003 3.4109 3.4263 3.5571 3.5690 3.6914 3.7021 3.7559 3.7892 3.9981 4.0421 4.1323 4.1471 5.0414 5.1126 5.1620 5.2108 5.2409 5.2603 5.2980 5.3211 5.4618 5.5078 5.7061 5.7403 5.7547 5.7628 5.8457 5.8769 6.4457 6.4779 6.8493 6.8762 8.4633 8.5090 9.1620 9.1802 10.0620 10.0921 10.4446 10.4992 10.9376 10.9613 11.1667 11.1729 11.5118 11.5731 k =-0.2308-0.2308 0.0005 ( 6915 PWs) bands (ev): -8.6323 -8.6192 -8.6146 -8.5858 -8.5397 -8.4853 -8.4757 -8.4682 -7.9893 -7.8878 -7.8440 -7.7353 -7.7105 -7.7013 -7.6628 -7.6420 -7.6188 -7.6052 -7.6034 -7.5891 -6.8371 -6.8358 -5.8418 -5.8300 -5.7961 -5.7735 -5.6738 -5.6472 0.3995 0.4194 0.9220 0.9598 1.9043 1.9290 2.6660 2.6874 2.7011 2.7284 3.0403 3.0481 3.4146 3.4325 3.5539 3.5626 3.6793 3.6897 3.7420 3.7699 3.9875 4.0326 4.1309 4.1358 5.0393 5.1064 5.1656 5.2024 5.2396 5.2584 5.2829 5.3207 5.4442 5.4802 5.7018 5.7223 5.7533 5.7605 5.8465 5.8749 6.4822 6.5134 6.8638 6.8900 8.4148 8.4549 9.1736 9.1905 10.0589 10.0898 10.4975 10.5435 10.9305 10.9540 11.1321 11.1387 11.4618 11.5290 k =-0.2179-0.2179 0.0005 ( 6903 PWs) bands (ev): -8.6315 -8.6197 -8.6148 -8.5868 -8.5383 -8.4852 -8.4739 -8.4675 -7.9884 -7.8917 -7.8389 -7.7366 -7.7097 -7.7013 -7.6595 -7.6394 -7.6188 -7.6056 -7.6031 -7.5893 -6.8669 -6.8658 -5.8265 -5.8158 -5.7834 -5.7618 -5.6703 -5.6456 0.3929 0.4118 0.9457 0.9842 1.9198 1.9372 2.6959 2.7162 2.7391 2.7413 2.9904 2.9983 3.4275 3.4476 3.5492 3.5546 3.6657 3.6758 3.7271 3.7510 3.9771 4.0229 4.1233 4.1288 5.0373 5.0998 5.1685 5.1910 5.2378 5.2559 5.2695 5.3199 5.4320 5.4550 5.6900 5.7031 5.7515 5.7597 5.8564 5.8790 6.5217 6.5519 6.8779 6.9033 8.3607 8.3957 9.1795 9.1947 10.0466 10.0781 10.5505 10.5864 10.9285 10.9512 11.0976 11.1052 11.4230 11.4959 k =-0.2051-0.2051 0.0005 ( 6899 PWs) bands (ev): -8.6307 -8.6202 -8.6151 -8.5880 -8.5367 -8.4853 -8.4721 -8.4668 -7.9873 -7.8955 -7.8338 -7.7379 -7.7089 -7.7014 -7.6563 -7.6369 -7.6187 -7.6062 -7.6026 -7.5895 -6.8960 -6.8945 -5.8114 -5.8018 -5.7707 -5.7501 -5.6674 -5.6445 0.3853 0.4030 0.9682 1.0073 1.9362 1.9469 2.6963 2.7407 2.7732 2.7826 2.9454 2.9513 3.4481 3.4701 3.5428 3.5451 3.6507 3.6606 3.7119 3.7325 3.9672 4.0130 4.1109 4.1246 5.0354 5.0927 5.1697 5.1780 5.2331 5.2503 5.2623 5.3192 5.4248 5.4325 5.6750 5.6836 5.7422 5.7584 5.8763 5.8931 6.5633 6.5923 6.8915 6.9160 8.3017 8.3321 9.1807 9.1941 10.0222 10.0538 10.6025 10.6261 10.9317 10.9533 11.0647 11.0742 11.3986 11.4761 k =-0.1923-0.1923 0.0005 ( 6893 PWs) bands (ev): -8.6299 -8.6207 -8.6153 -8.5892 -8.5350 -8.4855 -8.4705 -8.4661 -7.9860 -7.8992 -7.8288 -7.7393 -7.7082 -7.7014 -7.6530 -7.6344 -7.6185 -7.6069 -7.6019 -7.5897 -6.9241 -6.9221 -5.7967 -5.7883 -5.7583 -5.7385 -5.6648 -5.6440 0.3768 0.3933 0.9895 1.0289 1.9536 1.9580 2.6918 2.7379 2.8204 2.8292 2.9068 2.9128 3.4734 3.4974 3.5339 3.5354 3.6346 3.6446 3.6971 3.7147 3.9580 4.0035 4.0981 4.1193 5.0337 5.0849 5.1602 5.1728 5.2236 5.2442 5.2607 5.3196 5.4124 5.4222 5.6589 5.6644 5.7290 5.7519 5.9047 5.9182 6.6060 6.6335 6.9046 6.9282 8.2382 8.2644 9.1784 9.1897 9.9837 10.0147 10.6518 10.6609 10.9393 10.9613 11.0355 11.0502 11.3894 11.4700 k =-0.1795-0.1795 0.0004 ( 6890 PWs) bands (ev): -8.6290 -8.6211 -8.6155 -8.5904 -8.5331 -8.4858 -8.4689 -8.4654 -7.9845 -7.9029 -7.8239 -7.7408 -7.7075 -7.7014 -7.6499 -7.6319 -7.6184 -7.6076 -7.6013 -7.5899 -6.9510 -6.9484 -5.7824 -5.7751 -5.7464 -5.7273 -5.6623 -5.6439 0.3674 0.3828 1.0093 1.0487 1.9700 1.9719 2.6844 2.7294 2.8295 2.8655 2.8890 2.9148 3.4941 3.5177 3.5278 3.5336 3.6180 3.6290 3.6840 3.6982 3.9494 3.9943 4.0854 4.1126 5.0321 5.0765 5.1446 5.1713 5.2113 5.2388 5.2613 5.3217 5.3961 5.4224 5.6417 5.6469 5.7141 5.7408 5.9405 5.9527 6.6490 6.6748 6.9171 6.9399 8.1708 8.1933 9.1732 9.1821 9.9308 9.9608 10.6897 10.6962 10.9487 10.9749 11.0124 11.0405 11.3945 11.4765 k =-0.1667-0.1667 0.0004 ( 6889 PWs) bands (ev): -8.6282 -8.6215 -8.6157 -8.5916 -8.5312 -8.4864 -8.4675 -8.4646 -7.9828 -7.9066 -7.8191 -7.7424 -7.7068 -7.7013 -7.6468 -7.6295 -7.6182 -7.6083 -7.6005 -7.5901 -6.9767 -6.9736 -5.7687 -5.7624 -5.7351 -5.7164 -5.6600 -5.6441 0.3575 0.3716 1.0275 1.0666 1.9834 1.9904 2.6758 2.7168 2.8095 2.8311 2.9467 2.9533 3.4888 3.5073 3.5415 3.5558 3.6038 3.6170 3.6747 3.6840 3.9418 3.9858 4.0729 4.1049 5.0307 5.0671 5.1292 5.1677 5.1988 5.2326 5.2638 5.3256 5.3833 5.4248 5.6233 5.6317 5.6985 5.7267 5.9825 5.9946 6.6913 6.7153 6.9293 6.9511 8.0996 8.1189 9.1660 9.1722 9.8652 9.8936 10.7123 10.7335 10.9534 10.9864 11.0050 11.0531 11.4117 11.4936 k =-0.1538-0.1538 0.0004 ( 6889 PWs) bands (ev): -8.6274 -8.6218 -8.6158 -8.5929 -8.5292 -8.4870 -8.4661 -8.4638 -7.9809 -7.9101 -7.8143 -7.7439 -7.7062 -7.7013 -7.6438 -7.6272 -7.6180 -7.6090 -7.5998 -7.5903 -7.0009 -6.9974 -5.7556 -5.7503 -5.7247 -5.7062 -5.6575 -5.6444 0.3472 0.3600 1.0440 1.0824 1.9973 2.0089 2.6673 2.7010 2.7885 2.8009 2.9999 3.0048 3.4695 3.4900 3.5523 3.5605 3.6034 3.6158 3.6728 3.6763 3.9351 3.9780 4.0609 4.0963 5.0294 5.0568 5.1148 5.1617 5.1870 5.2254 5.2678 5.3310 5.3744 5.4289 5.6045 5.6183 5.6829 5.7110 6.0305 6.0428 6.7323 6.7543 6.9410 6.9619 8.0250 8.0417 9.1570 9.1604 9.7895 9.8164 10.7298 10.7624 10.9525 10.9787 11.0334 11.0854 11.4385 11.5191 k =-0.1410-0.1410 0.0003 ( 6890 PWs) bands (ev): -8.6266 -8.6221 -8.6159 -8.5942 -8.5272 -8.4879 -8.4649 -8.4631 -7.9789 -7.9136 -7.8097 -7.7456 -7.7056 -7.7012 -7.6408 -7.6250 -7.6177 -7.6097 -7.5990 -7.5905 -7.0237 -7.0198 -5.7433 -5.7388 -5.7152 -5.6967 -5.6548 -5.6446 0.3366 0.3483 1.0587 1.0959 2.0114 2.0270 2.6598 2.6836 2.7722 2.7775 3.0468 3.0610 3.4457 3.4686 3.5411 3.5501 3.6098 3.6231 3.6768 3.6891 3.9295 3.9711 4.0496 4.0870 5.0281 5.0456 5.1022 5.1531 5.1762 5.2176 5.2733 5.3376 5.3693 5.4340 5.5859 5.6062 5.6679 5.6945 6.0840 6.0965 6.7712 6.7911 6.9525 6.9724 7.9473 7.9617 9.1466 9.1471 9.7073 9.7331 10.7435 10.7833 10.9508 10.9723 11.0758 11.1297 11.4724 11.5502 k =-0.1282-0.1282 0.0003 ( 6891 PWs) bands (ev): -8.6259 -8.6223 -8.6158 -8.5956 -8.5251 -8.4888 -8.4638 -8.4623 -7.9767 -7.9171 -7.8052 -7.7473 -7.7051 -7.7012 -7.6380 -7.6229 -7.6174 -7.6103 -7.5982 -7.5907 -7.0449 -7.0407 -5.7317 -5.7280 -5.7070 -5.6884 -5.6516 -5.6446 0.3262 0.3366 1.0716 1.1072 2.0251 2.0439 2.6535 2.6667 2.7562 2.7664 3.0911 3.1140 3.4192 3.4436 3.5207 3.5363 3.6102 3.6238 3.6961 3.7144 3.9250 3.9652 4.0391 4.0774 5.0268 5.0340 5.0914 5.1419 5.1670 5.2094 5.2802 5.3451 5.3677 5.4399 5.5677 5.5956 5.6536 5.6777 6.1427 6.1553 6.8074 6.8250 6.9639 6.9829 7.8668 7.8793 9.1319 9.1350 9.6225 9.6475 10.7548 10.7981 10.9506 10.9694 11.1265 11.1811 11.5102 11.5834 k =-0.1154-0.1154 0.0003 ( 6899 PWs) bands (ev): -8.6253 -8.6225 -8.6157 -8.5969 -8.5230 -8.4899 -8.4628 -8.4615 -7.9744 -7.9205 -7.8008 -7.7491 -7.7046 -7.7011 -7.6354 -7.6210 -7.6171 -7.6109 -7.5974 -7.5908 -7.0644 -7.0601 -5.7210 -5.7179 -5.7000 -5.6815 -5.6480 -5.6438 0.3159 0.3251 1.0827 1.1163 2.0380 2.0591 2.6483 2.6531 2.7449 2.7631 3.1304 3.1617 3.3910 3.4159 3.4998 3.5216 3.6081 3.6200 3.7226 3.7431 3.9217 3.9603 4.0296 4.0677 5.0214 5.0268 5.0822 5.1287 5.1595 5.2012 5.2882 5.3531 5.3690 5.4462 5.5500 5.5864 5.6402 5.6609 6.2063 6.2188 6.8401 6.8554 6.9754 6.9935 7.7837 7.7947 9.1152 9.1219 9.5386 9.5634 10.7646 10.8085 10.9524 10.9692 11.1825 11.2368 11.5485 11.6140 k =-0.1026-0.1026 0.0002 ( 6904 PWs) bands (ev): -8.6248 -8.6226 -8.6154 -8.5982 -8.5208 -8.4912 -8.4619 -8.4608 -7.9720 -7.9239 -7.7966 -7.7509 -7.7041 -7.7011 -7.6329 -7.6195 -7.6167 -7.6114 -7.5965 -7.5909 -7.0821 -7.0778 -5.7114 -5.7088 -5.6943 -5.6764 -5.6441 -5.6420 0.3062 0.3142 1.0922 1.1232 2.0498 2.0721 2.6410 2.6472 2.7401 2.7647 3.1624 3.2014 3.3621 3.3862 3.4816 3.5085 3.6064 3.6162 3.7497 3.7711 3.9199 3.9566 4.0212 4.0581 5.0108 5.0255 5.0743 5.1140 5.1536 5.1931 5.2972 5.3614 5.3726 5.4528 5.5328 5.5786 5.6276 5.6445 6.2746 6.2868 6.8688 6.8818 6.9874 7.0044 7.6983 7.7081 9.0964 9.1067 9.4592 9.4843 10.7734 10.8159 10.9557 10.9710 11.2416 11.2952 11.5820 11.6342 k =-0.0897-0.0897 0.0002 ( 6904 PWs) bands (ev): -8.6243 -8.6227 -8.6150 -8.5996 -8.5187 -8.4925 -8.4610 -8.4601 -7.9694 -7.9272 -7.7926 -7.7528 -7.7037 -7.7011 -7.6306 -7.6183 -7.6162 -7.6118 -7.5957 -7.5909 -7.0980 -7.0938 -5.7031 -5.7005 -5.6895 -5.6732 -5.6401 -5.6388 0.2971 0.3040 1.1002 1.1283 2.0601 2.0825 2.6355 2.6460 2.7416 2.7703 3.1847 3.2297 3.3335 3.3558 3.4689 3.4992 3.6059 3.6138 3.7746 3.7962 3.9197 3.9540 4.0140 4.0488 5.0013 5.0244 5.0674 5.0988 5.1491 5.1855 5.3071 5.3696 5.3778 5.4593 5.5165 5.5723 5.6157 5.6287 6.3473 6.3590 6.8930 6.9039 6.9998 7.0156 7.6108 7.6198 9.0752 9.0887 9.3878 9.4133 10.7815 10.8212 10.9603 10.9741 11.3017 11.3545 11.6028 11.6364 k =-0.0769-0.0769 0.0002 ( 6905 PWs) bands (ev): -8.6240 -8.6228 -8.6144 -8.6009 -8.5166 -8.4939 -8.4603 -8.4595 -7.9668 -7.9305 -7.7887 -7.7548 -7.7033 -7.7010 -7.6285 -7.6176 -7.6156 -7.6120 -7.5948 -7.5908 -7.1119 -7.1079 -5.6962 -5.6932 -5.6854 -5.6717 -5.6361 -5.6347 0.2889 0.2947 1.1069 1.1317 2.0688 2.0901 2.6343 2.6471 2.7485 2.7789 3.1957 3.2432 3.3067 3.3264 3.4642 3.4946 3.6071 3.6134 3.7963 3.8172 3.9215 3.9526 4.0080 4.0400 4.9934 5.0233 5.0614 5.0836 5.1459 5.1783 5.3177 5.3775 5.3841 5.4650 5.5018 5.5674 5.6040 5.6142 6.4238 6.4350 6.9124 6.9214 7.0128 7.0269 7.5218 7.5301 9.0512 9.0670 9.3276 9.3528 10.7890 10.8249 10.9656 10.9779 11.3600 11.4119 11.6059 11.6259 k =-0.0641-0.0641 0.0002 ( 6907 PWs) bands (ev): -8.6238 -8.6228 -8.6136 -8.6022 -8.5144 -8.4955 -8.4597 -8.4590 -7.9641 -7.9337 -7.7850 -7.7568 -7.7029 -7.7011 -7.6266 -7.6173 -7.6150 -7.6121 -7.5940 -7.5908 -7.1237 -7.1202 -5.6910 -5.6869 -5.6814 -5.6712 -5.6321 -5.6307 0.2817 0.2865 1.1125 1.1336 2.0759 2.0951 2.6370 2.6500 2.7596 2.7896 3.1956 3.2409 3.2830 3.2998 3.4676 3.4945 3.6101 3.6149 3.8143 3.8334 3.9255 3.9522 4.0034 4.0319 4.9876 5.0218 5.0562 5.0695 5.1439 5.1717 5.3289 5.3846 5.3908 5.4668 5.4918 5.5639 5.5915 5.6020 6.5038 6.5143 6.9271 6.9347 7.0258 7.0380 7.4315 7.4396 9.0250 9.0413 9.2807 9.3042 10.7959 10.8271 10.9712 10.9819 11.4122 11.4613 11.6024 11.6183 k =-0.0513-0.0513 0.0001 ( 6919 PWs) bands (ev): -8.6236 -8.6229 -8.6129 -8.6036 -8.5123 -8.4971 -8.4592 -8.4586 -7.9613 -7.9370 -7.7814 -7.7590 -7.7025 -7.7011 -7.6249 -7.6175 -7.6145 -7.6120 -7.5932 -7.5907 -7.1335 -7.1304 -5.6873 -5.6821 -5.6777 -5.6712 -5.6283 -5.6271 0.2756 0.2794 1.1171 1.1343 2.0816 2.0979 2.6423 2.6542 2.7734 2.8012 3.1870 3.2261 3.2636 3.2778 3.4757 3.4969 3.6147 3.6182 3.8287 3.8447 3.9313 3.9526 4.0001 4.0244 4.9841 5.0193 5.0514 5.0572 5.1430 5.1657 5.3406 5.3906 5.3975 5.4596 5.4918 5.5617 5.5780 5.5923 6.5866 6.5963 6.9378 6.9443 7.0381 7.0480 7.3408 7.3487 8.9982 9.0131 9.2473 9.2674 10.8023 10.8281 10.9767 10.9856 11.4500 11.4896 11.6134 11.6289 k =-0.0385-0.0385 0.0001 ( 6925 PWs) bands (ev): -8.6235 -8.6229 -8.6120 -8.6049 -8.5102 -8.4987 -8.4588 -8.4583 -7.9584 -7.9401 -7.7781 -7.7613 -7.7022 -7.7012 -7.6234 -7.6179 -7.6139 -7.6119 -7.5925 -7.5906 -7.1410 -7.1386 -5.6846 -5.6791 -5.6743 -5.6709 -5.6251 -5.6241 0.2709 0.2738 1.1210 1.1341 2.0861 2.0989 2.6491 2.6588 2.7885 2.8121 3.1746 3.2055 3.2487 3.2599 3.4848 3.4999 3.6200 3.6225 3.8395 3.8517 3.9380 3.9534 3.9983 4.0176 4.9829 5.0149 5.0468 5.0489 5.1430 5.1603 5.3525 5.3946 5.4037 5.4477 5.4981 5.5607 5.5648 5.5844 6.6714 6.6803 6.9445 6.9506 7.0488 7.0562 7.2507 7.2585 8.9738 8.9856 9.2255 9.2410 10.8081 10.8280 10.9818 10.9887 11.4677 11.4929 11.6473 11.6659 k =-0.0256-0.0256 0.0001 ( 6923 PWs) bands (ev): -8.6234 -8.6230 -8.6109 -8.6062 -8.5082 -8.5005 -8.4584 -8.4581 -7.9555 -7.9433 -7.7749 -7.7638 -7.7020 -7.7013 -7.6221 -7.6184 -7.6134 -7.6119 -7.5918 -7.5906 -7.1463 -7.1446 -5.6826 -5.6781 -5.6716 -5.6700 -5.6227 -5.6220 0.2676 0.2695 1.1243 1.1331 2.0898 2.0985 2.6559 2.6627 2.8030 2.8205 3.1635 3.1851 3.2381 3.2459 3.4924 3.5020 3.6252 3.6268 3.8474 3.8554 3.9443 3.9540 3.9981 4.0116 4.9843 5.0084 5.0425 5.0450 5.1440 5.1556 5.3646 5.3961 5.4094 5.4359 5.5065 5.5509 5.5622 5.5777 6.7568 6.7648 6.9467 6.9530 7.0572 7.0620 7.1638 7.1715 8.9545 8.9626 9.2126 9.2231 10.8133 10.8268 10.9860 10.9908 11.4718 11.4860 11.6961 11.7167 k =-0.0128-0.0128 0.0000 ( 6917 PWs) bands (ev): -8.6233 -8.6231 -8.6098 -8.6074 -8.5061 -8.5023 -8.4582 -8.4580 -7.9525 -7.9464 -7.7719 -7.7663 -7.7017 -7.7014 -7.6210 -7.6191 -7.6128 -7.6121 -7.5913 -7.5907 -7.1493 -7.1484 -5.6810 -5.6786 -5.6698 -5.6692 -5.6211 -5.6207 0.2658 0.2667 1.1271 1.1315 2.0928 2.0972 2.6613 2.6648 2.8150 2.8243 3.1575 3.1688 3.2322 3.2362 3.4979 3.5026 3.6290 3.6298 3.8526 3.8565 3.9493 3.9539 3.9994 4.0065 4.9879 5.0008 5.0408 5.0425 5.1458 5.1517 5.3763 5.3936 5.4144 5.4262 5.5162 5.5386 5.5642 5.5721 6.8395 6.8463 6.9401 6.9473 7.0620 7.0640 7.0902 7.0954 8.9428 8.9469 9.2067 9.2119 10.8178 10.8246 10.9892 10.9916 11.4722 11.4787 11.7505 11.7671 k = 0.0000 0.0000 0.0000 ( 6911 PWs) bands (ev): -8.6232 -8.6232 -8.6086 -8.6086 -8.5041 -8.5041 -8.4580 -8.4580 -7.9494 -7.9494 -7.7690 -7.7690 -7.7015 -7.7015 -7.6199 -7.6199 -7.6124 -7.6124 -7.5909 -7.5909 -7.1500 -7.1500 -5.6796 -5.6796 -5.6690 -5.6690 -5.6204 -5.6204 0.2655 0.2655 1.1295 1.1295 2.0952 2.0952 2.6644 2.6644 2.8225 2.8225 3.1592 3.1592 3.2315 3.2315 3.5013 3.5013 3.6306 3.6306 3.8556 3.8556 3.9524 3.9524 4.0023 4.0023 4.9936 4.9936 5.0410 5.0410 5.1484 5.1484 5.3866 5.3866 5.4195 5.4195 5.5270 5.5270 5.5676 5.5676 6.9079 6.9079 6.9144 6.9144 7.0527 7.0527 7.0690 7.0690 8.9401 8.9401 9.2066 9.2066 10.8216 10.8216 10.9911 10.9911 11.4739 11.4739 11.7942 11.7942 k = 0.0000 0.0000 0.0000 ( 6911 PWs) bands (ev): -8.6232 -8.6232 -8.6086 -8.6086 -8.5041 -8.5041 -8.4580 -8.4580 -7.9494 -7.9494 -7.7690 -7.7690 -7.7015 -7.7015 -7.6199 -7.6199 -7.6124 -7.6124 -7.5909 -7.5909 -7.1500 -7.1500 -5.6796 -5.6796 -5.6690 -5.6690 -5.6204 -5.6204 0.2655 0.2655 1.1295 1.1295 2.0952 2.0952 2.6644 2.6644 2.8225 2.8225 3.1592 3.1592 3.2315 3.2315 3.5013 3.5013 3.6306 3.6306 3.8556 3.8556 3.9524 3.9524 4.0023 4.0023 4.9936 4.9936 5.0410 5.0410 5.1484 5.1484 5.3866 5.3866 5.4195 5.4195 5.5270 5.5270 5.5676 5.5676 6.9079 6.9079 6.9144 6.9144 7.0527 7.0527 7.0690 7.0690 8.9401 8.9401 9.2066 9.2066 10.8216 10.8216 10.9911 10.9911 11.4739 11.4739 11.7942 11.7942 k = 0.0000 0.0000 0.0177 ( 6911 PWs) bands (ev): -8.6236 -8.6228 -8.6088 -8.6082 -8.5044 -8.5042 -8.4582 -8.4579 -7.9494 -7.9492 -7.7694 -7.7689 -7.7017 -7.7013 -7.6205 -7.6198 -7.6127 -7.6123 -7.5910 -7.5909 -7.1488 -7.1486 -5.6810 -5.6803 -5.6694 -5.6690 -5.6209 -5.6206 0.2664 0.2665 1.1281 1.1282 2.0945 2.0947 2.6669 2.6676 2.8244 2.8247 3.1598 3.1603 3.2321 3.2325 3.5014 3.5015 3.6307 3.6309 3.8550 3.8552 3.9523 3.9526 4.0007 4.0009 4.9917 4.9926 5.0428 5.0437 5.1482 5.1483 5.3861 5.3864 5.4202 5.4206 5.5269 5.5271 5.5673 5.5677 6.8544 6.8583 6.9304 6.9365 7.0500 7.0503 7.1015 7.1036 8.9408 8.9409 9.2069 9.2070 10.8124 10.8139 10.9777 10.9779 11.4617 11.4683 11.7847 11.7956 k = 0.0000 0.0000 0.0355 ( 6913 PWs) bands (ev): -8.6240 -8.6224 -8.6087 -8.6076 -8.5050 -8.5045 -8.4585 -8.4579 -7.9491 -7.9488 -7.7701 -7.7692 -7.7017 -7.7009 -7.6215 -7.6201 -7.6132 -7.6124 -7.5910 -7.5909 -7.1449 -7.1446 -5.6844 -5.6833 -5.6700 -5.6693 -5.6220 -5.6213 0.2692 0.2693 1.1239 1.1241 2.0928 2.0931 2.6752 2.6766 2.8305 2.8310 3.1621 3.1632 3.2344 3.2351 3.5018 3.5022 3.6311 3.6315 3.8534 3.8539 3.9522 3.9528 3.9962 3.9966 4.9876 4.9891 5.0485 5.0501 5.1479 5.1480 5.3850 5.3855 5.4226 5.4234 5.5270 5.5274 5.5671 5.5677 6.7852 6.7875 6.9320 6.9364 7.0428 7.0431 7.1735 7.1756 8.9430 8.9432 9.2077 9.2078 10.7864 10.7892 10.9391 10.9393 11.4328 11.4446 11.7705 11.7863 k = 0.0000 0.0000 0.0532 ( 6914 PWs) bands (ev): -8.6244 -8.6221 -8.6083 -8.6068 -8.5058 -8.5050 -8.4588 -8.4580 -7.9486 -7.9480 -7.7712 -7.7698 -7.7017 -7.7005 -7.6230 -7.6211 -7.6136 -7.6127 -7.5911 -7.5909 -7.1385 -7.1380 -5.6903 -5.6888 -5.6707 -5.6698 -5.6236 -5.6226 0.2738 0.2740 1.1170 1.1174 2.0902 2.0907 2.6889 2.6909 2.8405 2.8413 3.1662 3.1678 3.2382 3.2392 3.5027 3.5032 3.6318 3.6325 3.8508 3.8515 3.9521 3.9530 3.9890 3.9895 4.9826 4.9844 5.0569 5.0589 5.1474 5.1476 5.3830 5.3837 5.4269 5.4280 5.5270 5.5277 5.5670 5.5680 6.7129 6.7145 6.9247 6.9280 7.0309 7.0314 7.2588 7.2605 8.9466 8.9469 9.2090 9.2092 10.7438 10.7475 10.8786 10.8788 11.3892 11.4038 11.7514 11.7672 k = 0.0000 0.0000 0.0710 ( 6915 PWs) bands (ev): -8.6248 -8.6218 -8.6077 -8.6059 -8.5069 -8.5058 -8.4593 -8.4582 -7.9478 -7.9470 -7.7726 -7.7708 -7.7016 -7.7000 -7.6250 -7.6227 -7.6139 -7.6128 -7.5911 -7.5909 -7.1296 -7.1290 -5.6986 -5.6969 -5.6713 -5.6704 -5.6255 -5.6243 0.2802 0.2804 1.1076 1.1082 2.0872 2.0878 2.7075 2.7102 2.8543 2.8554 3.1720 3.1741 3.2435 3.2449 3.5039 3.5045 3.6329 3.6338 3.8468 3.8478 3.9517 3.9531 3.9793 3.9802 4.9774 4.9794 5.0670 5.0692 5.1468 5.1470 5.3801 5.3810 5.4329 5.4344 5.5270 5.5279 5.5674 5.5689 6.6417 6.6428 6.9122 6.9148 7.0146 7.0153 7.3495 7.3509 8.9517 8.9521 9.2107 9.2111 10.6852 10.6893 10.8002 10.8011 11.3331 11.3482 11.7261 11.7384 k = 0.0000 0.0000 0.0887 ( 6917 PWs) bands (ev): -8.6251 -8.6216 -8.6069 -8.6048 -8.5081 -8.5068 -8.4598 -8.4585 -7.9467 -7.9458 -7.7742 -7.7721 -7.7013 -7.6994 -7.6275 -7.6249 -7.6140 -7.6130 -7.5912 -7.5909 -7.1183 -7.1175 -5.7095 -5.7078 -5.6719 -5.6710 -5.6276 -5.6262 0.2882 0.2885 1.0960 1.0966 2.0842 2.0849 2.7306 2.7340 2.8717 2.8730 3.1793 3.1821 3.2503 3.2520 3.5055 3.5063 3.6344 3.6355 3.8412 3.8423 3.9503 3.9530 3.9678 3.9699 4.9726 4.9747 5.0780 5.0805 5.1460 5.1462 5.3760 5.3771 5.4407 5.4426 5.5266 5.5278 5.5688 5.5709 6.5732 6.5740 6.8954 6.8976 6.9939 6.9949 7.4432 7.4445 8.9582 8.9587 9.2128 9.2133 10.6121 10.6163 10.7087 10.7103 11.2664 11.2805 11.6932 11.7016 k = 0.0000 0.0000 0.1065 ( 6909 PWs) bands (ev): -8.6253 -8.6213 -8.6058 -8.6036 -8.5096 -8.5080 -8.4605 -8.4589 -7.9454 -7.9443 -7.7762 -7.7737 -7.7010 -7.6987 -7.6304 -7.6277 -7.6139 -7.6129 -7.5912 -7.5909 -7.1048 -7.1039 -5.7231 -5.7213 -5.6726 -5.6717 -5.6297 -5.6283 0.2978 0.2982 1.0822 1.0829 2.0818 2.0826 2.7576 2.7616 2.8921 2.8937 3.1882 3.1916 3.2584 3.2604 3.5074 3.5085 3.6362 3.6376 3.8334 3.8345 3.9455 3.9510 3.9569 3.9618 4.9682 4.9704 5.0897 5.0924 5.1451 5.1454 5.3708 5.3719 5.4503 5.4525 5.5257 5.5271 5.5720 5.5746 6.5080 6.5087 6.8749 6.8769 6.9694 6.9706 7.5387 7.5399 8.9660 8.9667 9.2151 9.2157 10.5267 10.5307 10.6080 10.6102 11.1912 11.2036 11.6516 11.6584 k = 0.0000 0.0000 0.1242 ( 6915 PWs) bands (ev): -8.6255 -8.6211 -8.6047 -8.6023 -8.5112 -8.5094 -8.4613 -8.4595 -7.9438 -7.9426 -7.7785 -7.7757 -7.7006 -7.6981 -7.6336 -7.6308 -7.6137 -7.6128 -7.5913 -7.5909 -7.0890 -7.0880 -5.7392 -5.7374 -5.6733 -5.6725 -5.6320 -5.6306 0.3089 0.3093 1.0666 1.0674 2.0804 2.0813 2.7878 2.7925 2.9154 2.9172 3.1986 3.2025 3.2678 3.2701 3.5098 3.5111 3.6384 3.6401 3.8226 3.8237 3.9353 3.9400 3.9545 3.9586 4.9643 4.9666 5.1015 5.1044 5.1441 5.1446 5.3641 5.3653 5.4616 5.4639 5.5241 5.5256 5.5772 5.5803 6.4466 6.4471 6.8510 6.8530 6.9412 6.9427 7.6353 7.6364 8.9751 8.9758 9.2176 9.2183 10.4317 10.4355 10.5014 10.5040 11.1094 11.1200 11.5994 11.6073 k = 0.0000 0.0000 0.1420 ( 6897 PWs) bands (ev): -8.6255 -8.6208 -8.6034 -8.6010 -8.5130 -8.5108 -8.4623 -8.4602 -7.9420 -7.9406 -7.7810 -7.7779 -7.7001 -7.6973 -7.6370 -7.6341 -7.6133 -7.6126 -7.5913 -7.5909 -7.0713 -7.0702 -5.7578 -5.7560 -5.6741 -5.6733 -5.6343 -5.6328 0.3212 0.3217 1.0494 1.0503 2.0805 2.0814 2.8207 2.8261 2.9410 2.9430 3.2102 3.2148 3.2782 3.2807 3.5126 3.5141 3.6410 3.6429 3.8081 3.8091 3.9234 3.9274 3.9545 3.9579 4.9612 4.9635 5.1128 5.1160 5.1436 5.1442 5.3562 5.3575 5.4745 5.4770 5.5219 5.5234 5.5848 5.5882 6.3889 6.3893 6.8240 6.8262 6.9097 6.9115 7.7322 7.7333 8.9852 8.9861 9.2202 9.2210 10.3300 10.3334 10.3913 10.3940 11.0231 11.0320 11.5343 11.5423 k = 0.0000 0.0000 0.1597 ( 6888 PWs) bands (ev): -8.6254 -8.6205 -8.6021 -8.5995 -8.5148 -8.5123 -8.4634 -8.4611 -7.9399 -7.9383 -7.7838 -7.7805 -7.6996 -7.6966 -7.6406 -7.6376 -7.6128 -7.6122 -7.5914 -7.5909 -7.0516 -7.0504 -5.7787 -5.7770 -5.6750 -5.6741 -5.6366 -5.6352 0.3346 0.3351 1.0309 1.0319 2.0825 2.0834 2.8557 2.8618 2.9685 2.9707 3.2230 3.2283 3.2895 3.2923 3.5158 3.5176 3.6439 3.6462 3.7895 3.7903 3.9122 3.9161 3.9546 3.9578 4.9587 4.9610 5.1224 5.1257 5.1442 5.1449 5.3473 5.3485 5.4890 5.4914 5.5195 5.5207 5.5948 5.5985 6.3350 6.3354 6.7943 6.7967 6.8753 6.8774 7.8289 7.8299 8.9962 8.9972 9.2228 9.2238 10.2240 10.2270 10.2796 10.2822 10.9342 10.9416 11.4602 11.4659 k = 0.0000 0.0000 0.1775 ( 6892 PWs) bands (ev): -8.6253 -8.6201 -8.6007 -8.5981 -8.5167 -8.5138 -8.4647 -8.4621 -7.9376 -7.9359 -7.7869 -7.7834 -7.6991 -7.6959 -7.6442 -7.6412 -7.6123 -7.6119 -7.5915 -7.5910 -7.0301 -7.0289 -5.8019 -5.8002 -5.6759 -5.6750 -5.6390 -5.6376 0.3490 0.3496 1.0113 1.0124 2.0867 2.0876 2.8920 2.8989 2.9973 2.9998 3.2369 3.2429 3.3014 3.3044 3.5194 3.5215 3.6472 3.6498 3.7667 3.7675 3.9027 3.9064 3.9548 3.9579 4.9567 4.9591 5.1280 5.1307 5.1484 5.1486 5.3375 5.3388 5.5045 5.5057 5.5175 5.5194 5.6070 5.6108 6.2849 6.2853 6.7622 6.7649 6.8385 6.8409 7.9246 7.9257 9.0075 9.0087 9.2255 9.2267 10.1159 10.1185 10.1676 10.1700 10.8444 10.8506 11.3842 11.3882 k = 0.0000 0.0000 0.1952 ( 6896 PWs) bands (ev): -8.6250 -8.6197 -8.5994 -8.5967 -8.5185 -8.5152 -8.4662 -8.4634 -7.9351 -7.9333 -7.7902 -7.7866 -7.6985 -7.6952 -7.6477 -7.6447 -7.6118 -7.6115 -7.5916 -7.5911 -7.0070 -7.0057 -5.8271 -5.8255 -5.6768 -5.6758 -5.6414 -5.6401 0.3642 0.3648 0.9908 0.9920 2.0934 2.0944 2.9290 2.9368 3.0271 3.0298 3.2516 3.2584 3.3138 3.3169 3.5236 3.5260 3.6506 3.6537 3.7406 3.7419 3.8948 3.8984 3.9550 3.9580 4.9554 4.9577 5.1293 5.1312 5.1548 5.1558 5.3275 5.3288 5.5097 5.5137 5.5239 5.5296 5.6212 5.6252 6.2384 6.2388 6.7280 6.7310 6.7996 6.8023 8.0188 8.0199 9.0189 9.0202 9.2288 9.2301 10.0075 10.0098 10.0565 10.0585 10.7550 10.7602 11.3106 11.3136 k = 0.0000 0.0000 0.2130 ( 6895 PWs) bands (ev): -8.6246 -8.6191 -8.5982 -8.5952 -8.5203 -8.5166 -8.4679 -8.4648 -7.9324 -7.9304 -7.7937 -7.7900 -7.6979 -7.6945 -7.6511 -7.6481 -7.6112 -7.6110 -7.5918 -7.5913 -6.9822 -6.9809 -5.8543 -5.8527 -5.6777 -5.6767 -5.6439 -5.6426 0.3800 0.3807 0.9697 0.9710 2.1029 2.1038 2.9657 2.9745 3.0574 3.0604 3.2670 3.2745 3.3261 3.3293 3.5282 3.5310 3.6533 3.6572 3.7126 3.7154 3.8883 3.8917 3.9552 3.9581 4.9546 4.9570 5.1284 5.1297 5.1612 5.1627 5.3178 5.3191 5.5087 5.5118 5.5427 5.5478 5.6374 5.6415 6.1953 6.1957 6.6920 6.6953 6.7590 6.7621 8.1108 8.1119 9.0293 9.0308 9.2330 9.2345 9.9002 9.9022 9.9472 9.9488 10.6673 10.6718 11.2414 11.2439 k = 0.0000 0.0000 0.2307 ( 6889 PWs) bands (ev): -8.6241 -8.6184 -8.5971 -8.5938 -8.5220 -8.5178 -8.4697 -8.4664 -7.9294 -7.9273 -7.7974 -7.7936 -7.6973 -7.6938 -7.6544 -7.6514 -7.6105 -7.6104 -7.5920 -7.5914 -6.9560 -6.9547 -5.8833 -5.8817 -5.6786 -5.6776 -5.6465 -5.6451 0.3962 0.3970 0.9482 0.9495 2.1153 2.1163 3.0010 3.0105 3.0882 3.0913 3.2828 3.2912 3.3380 3.3414 3.5334 3.5366 3.6520 3.6581 3.6865 3.6929 3.8829 3.8861 3.9552 3.9581 4.9545 4.9568 5.1264 5.1274 5.1656 5.1674 5.3089 5.3103 5.5078 5.5107 5.5633 5.5682 5.6553 5.6595 6.1553 6.1557 6.6545 6.6581 6.7173 6.7206 8.1997 8.2009 9.0380 9.0396 9.2390 9.2406 9.7952 9.7970 9.8404 9.8417 10.5823 10.5862 11.1778 11.1799 k = 0.0000 0.0000 0.2485 ( 6876 PWs) bands (ev): -8.6234 -8.6176 -8.5961 -8.5925 -8.5235 -8.5189 -8.4717 -8.4681 -7.9262 -7.9240 -7.8013 -7.7975 -7.6966 -7.6931 -7.6575 -7.6545 -7.6098 -7.6097 -7.5922 -7.5916 -6.9284 -6.9270 -5.9139 -5.9124 -5.6795 -5.6784 -5.6490 -5.6477 0.4128 0.4137 0.9265 0.9278 2.1308 2.1318 3.0330 3.0430 3.1196 3.1225 3.2990 3.3082 3.3491 3.3526 3.5392 3.5429 3.6384 3.6447 3.6761 3.6840 3.8783 3.8812 3.9552 3.9580 4.9548 4.9571 5.1238 5.1247 5.1672 5.1691 5.3012 5.3026 5.5083 5.5111 5.5853 5.5901 5.6748 5.6790 6.1180 6.1185 6.6159 6.6197 6.6747 6.6783 8.2848 8.2861 9.0438 9.0455 9.2476 9.2493 9.6934 9.6953 9.7370 9.7381 10.5009 10.5042 11.1204 11.1222 k = 0.0000 0.0000 0.2662 ( 6874 PWs) bands (ev): -8.6227 -8.6168 -8.5953 -8.5913 -8.5248 -8.5197 -8.4738 -8.4701 -7.9229 -7.9205 -7.8054 -7.8016 -7.6959 -7.6924 -7.6605 -7.6575 -7.6091 -7.6090 -7.5924 -7.5918 -6.8994 -6.8980 -5.9460 -5.9445 -5.6804 -5.6792 -5.6516 -5.6502 0.4296 0.4306 0.9046 0.9060 2.1496 2.1505 3.0595 3.0693 3.1520 3.1545 3.3153 3.3251 3.3587 3.3626 3.5456 3.5498 3.6169 3.6213 3.6790 3.6862 3.8744 3.8769 3.9549 3.9576 4.9558 4.9580 5.1205 5.1213 5.1657 5.1677 5.2946 5.2961 5.5108 5.5135 5.6085 5.6133 5.6958 5.6998 6.0833 6.0838 6.5763 6.5803 6.6318 6.6356 8.3654 8.3669 9.0458 9.0476 9.2595 9.2613 9.5958 9.5979 9.6376 9.6386 10.4237 10.4265 11.0695 11.0712 k = 0.0000 0.0000 0.2840 ( 6875 PWs) bands (ev): -8.6219 -8.6158 -8.5947 -8.5903 -8.5259 -8.5203 -8.4762 -8.4722 -7.9193 -7.9169 -7.8097 -7.8058 -7.6953 -7.6917 -7.6633 -7.6602 -7.6084 -7.6083 -7.5927 -7.5920 -6.8692 -6.8679 -5.9794 -5.9780 -5.6811 -5.6800 -5.6541 -5.6528 0.4466 0.4475 0.8828 0.8842 2.1715 2.1725 3.0778 3.0866 3.1851 3.1880 3.3315 3.3417 3.3668 3.3711 3.5524 3.5571 3.5971 3.6007 3.6846 3.6919 3.8711 3.8732 3.9544 3.9569 4.9572 4.9594 5.1166 5.1172 5.1617 5.1638 5.2887 5.2902 5.5158 5.5185 5.6329 5.6375 5.7180 5.7219 6.0507 6.0513 6.5361 6.5402 6.5889 6.5928 8.4406 8.4422 9.0435 9.0454 9.2748 9.2766 9.5032 9.5061 9.5430 9.5442 10.3511 10.3536 11.0252 11.0269 k = 0.0000 0.0000 0.3017 ( 6871 PWs) bands (ev): -8.6209 -8.6147 -8.5944 -8.5895 -8.5267 -8.5206 -8.4787 -8.4744 -7.9156 -7.9131 -7.8141 -7.8102 -7.6946 -7.6910 -7.6659 -7.6628 -7.6077 -7.6075 -7.5930 -7.5923 -6.8379 -6.8365 -6.0141 -6.0127 -5.6818 -5.6806 -5.6567 -5.6553 0.4635 0.4645 0.8611 0.8626 2.1968 2.1977 3.0858 3.0930 3.2181 3.2231 3.3473 3.3571 3.3736 3.3788 3.5590 3.5645 3.5833 3.5871 3.6909 3.6987 3.8685 3.8701 3.9537 3.9560 4.9591 4.9612 5.1117 5.1122 5.1561 5.1583 5.2827 5.2841 5.5236 5.5262 5.6584 5.6628 5.7413 5.7451 6.0199 6.0206 6.4956 6.4996 6.5464 6.5503 8.5098 8.5116 9.0368 9.0389 9.2911 9.2934 9.4170 9.4225 9.4539 9.4568 10.2834 10.2855 10.9873 10.9891 k = 0.0000 0.0000 0.3195 ( 6880 PWs) bands (ev): -8.6199 -8.6136 -8.5944 -8.5890 -8.5271 -8.5206 -8.4813 -8.4768 -7.9118 -7.9091 -7.8186 -7.8148 -7.6939 -7.6904 -7.6683 -7.6653 -7.6069 -7.6067 -7.5933 -7.5926 -6.8055 -6.8041 -6.0498 -6.0485 -5.6824 -5.6812 -5.6592 -5.6578 0.4803 0.4814 0.8397 0.8412 2.2253 2.2262 3.0818 3.0875 3.2501 3.2581 3.3623 3.3692 3.3805 3.3889 3.5627 3.5703 3.5780 3.5844 3.6974 3.7058 3.8666 3.8677 3.9526 3.9547 4.9615 4.9635 5.1055 5.1060 5.1503 5.1526 5.2759 5.2772 5.5341 5.5368 5.6847 5.6890 5.7655 5.7689 5.9907 5.9915 6.4551 6.4589 6.5046 6.5083 8.5722 8.5742 9.0264 9.0287 9.2914 9.2976 9.3422 9.3580 9.3777 9.3863 10.2205 10.2223 10.9554 10.9572 k = 0.0000 0.0000 0.3372 ( 6896 PWs) bands (ev): -8.6188 -8.6124 -8.5946 -8.5888 -8.5271 -8.5203 -8.4841 -8.4793 -7.9078 -7.9051 -7.8233 -7.8195 -7.6932 -7.6897 -7.6706 -7.6676 -7.6062 -7.6058 -7.5938 -7.5931 -6.7720 -6.7707 -6.0865 -6.0852 -5.6829 -5.6817 -5.6616 -5.6603 0.4971 0.4983 0.8186 0.8201 2.2569 2.2578 3.0659 3.0701 3.2802 3.2914 3.3738 3.3785 3.3897 3.4041 3.5639 3.5719 3.5837 3.5911 3.7035 3.7126 3.8655 3.8663 3.9511 3.9529 4.9643 4.9662 5.0978 5.0983 5.1454 5.1477 5.2679 5.2691 5.5474 5.5501 5.7118 5.7158 5.7904 5.7934 5.9629 5.9637 6.4149 6.4183 6.4637 6.4671 8.6275 8.6298 9.0129 9.0155 9.2411 9.2475 9.2781 9.2882 9.3731 9.3758 10.1621 10.1637 10.9285 10.9307 k = 0.0000 0.0000 0.3550 ( 6904 PWs) bands (ev): -8.6175 -8.6111 -8.5950 -8.5889 -8.5267 -8.5196 -8.4869 -8.4819 -7.9037 -7.9009 -7.8280 -7.8242 -7.6924 -7.6890 -7.6727 -7.6697 -7.6054 -7.6050 -7.5942 -7.5935 -6.7377 -6.7363 -6.1240 -6.1226 -5.6833 -5.6820 -5.6640 -5.6626 0.5138 0.5150 0.7979 0.7994 2.2916 2.2925 3.0392 3.0423 3.3071 3.3213 3.3807 3.3866 3.4043 3.4228 3.5665 3.5750 3.5935 3.6011 3.7089 3.7187 3.8654 3.8663 3.9491 3.9507 4.9675 4.9694 5.0889 5.0895 5.1419 5.1441 5.2587 5.2597 5.5630 5.5657 5.7395 5.7431 5.8156 5.8179 5.9362 5.9372 6.3756 6.3784 6.4242 6.4271 8.6755 8.6780 8.9971 9.0002 9.1774 9.1819 9.2104 9.2177 9.3997 9.4011 10.1078 10.1092 10.9054 10.9082 k = 0.0000 0.0000 0.3727 ( 6900 PWs) bands (ev): -8.6162 -8.6097 -8.5957 -8.5893 -8.5259 -8.5185 -8.4899 -8.4846 -7.8994 -7.8965 -7.8328 -7.8290 -7.6916 -7.6882 -7.6746 -7.6716 -7.6046 -7.6041 -7.5946 -7.5939 -6.7024 -6.7011 -6.1621 -6.1607 -5.6835 -5.6822 -5.6662 -5.6649 0.5303 0.5316 0.7776 0.7791 2.3293 2.3302 3.0039 3.0062 3.3300 3.3462 3.3864 3.3931 3.4236 3.4438 3.5706 3.5800 3.6046 3.6124 3.7130 3.7234 3.8665 3.8679 3.9466 3.9479 4.9712 4.9730 5.0791 5.0797 5.1400 5.1422 5.2483 5.2493 5.5806 5.5834 5.7677 5.7709 5.8406 5.8420 5.9106 5.9120 6.3375 6.3396 6.3860 6.3883 8.7162 8.7191 8.9796 8.9833 9.1177 9.1212 9.1471 9.1538 9.4332 9.4343 10.0567 10.0579 10.8840 10.8870 k = 0.0000 0.0000 0.3905 ( 6899 PWs) bands (ev): -8.6148 -8.6082 -8.5966 -8.5900 -8.5246 -8.5172 -8.4929 -8.4873 -7.8950 -7.8920 -7.8376 -7.8339 -7.6908 -7.6875 -7.6764 -7.6734 -7.6038 -7.6032 -7.5951 -7.5944 -6.6664 -6.6650 -6.2007 -6.1994 -5.6836 -5.6823 -5.6683 -5.6670 0.5468 0.5481 0.7578 0.7593 2.3697 2.3706 2.9620 2.9638 3.3487 3.3654 3.3916 3.3988 3.4459 3.4663 3.5752 3.5857 3.6165 3.6244 3.7154 3.7263 3.8691 3.8710 3.9436 3.9445 4.9753 4.9771 5.0688 5.0697 5.1397 5.1418 5.2371 5.2380 5.5999 5.6026 5.7959 5.7988 5.8611 5.8635 5.8878 5.8917 6.3013 6.3024 6.3494 6.3511 8.7503 8.7534 8.9612 8.9656 9.0650 9.0677 9.0905 9.0974 9.4703 9.4713 10.0081 10.0091 10.8640 10.8661 k = 0.0000 0.0000 0.4082 ( 6911 PWs) bands (ev): -8.6133 -8.6067 -8.5977 -8.5909 -8.5230 -8.5155 -8.4959 -8.4902 -7.8906 -7.8875 -7.8425 -7.8388 -7.6900 -7.6867 -7.6780 -7.6751 -7.6030 -7.6024 -7.5957 -7.5949 -6.6296 -6.6283 -6.2398 -6.2385 -5.6835 -5.6823 -5.6702 -5.6689 0.5632 0.5645 0.7384 0.7399 2.4127 2.4135 2.9156 2.9171 3.3636 3.3796 3.3960 3.4037 3.4697 3.4892 3.5791 3.5905 3.6288 3.6369 3.7157 3.7269 3.8733 3.8756 3.9398 3.9404 4.9798 4.9816 5.0586 5.0596 5.1409 5.1428 5.2253 5.2262 5.6205 5.6232 5.8235 5.8263 5.8544 5.8578 5.8928 5.8973 6.2674 6.2679 6.3146 6.3157 8.7782 8.7816 8.9420 8.9474 9.0205 9.0222 9.0416 9.0492 9.5099 9.5108 9.9609 9.9619 10.8475 10.8489 k = 0.0000 0.0000 0.4260 ( 6909 PWs) bands (ev): -8.6118 -8.6051 -8.5990 -8.5921 -8.5211 -8.5136 -8.4990 -8.4930 -7.8860 -7.8829 -7.8474 -7.8438 -7.6891 -7.6859 -7.6796 -7.6766 -7.6022 -7.6016 -7.5962 -7.5955 -6.5923 -6.5909 -6.2791 -6.2778 -5.6833 -5.6821 -5.6719 -5.6707 0.5796 0.5810 0.7196 0.7211 2.4580 2.4588 2.8662 2.8674 3.3752 3.3901 3.3995 3.4076 3.4931 3.5116 3.5813 3.5937 3.6412 3.6495 3.7139 3.7251 3.8790 3.8815 3.9353 3.9358 4.9849 4.9867 5.0487 5.0499 5.1435 5.1454 5.2134 5.2143 5.6420 5.6447 5.8300 5.8326 5.8534 5.8555 5.9130 5.9165 6.2364 6.2378 6.2817 6.2829 8.8010 8.8047 8.9227 8.9291 8.9846 8.9856 9.0007 9.0095 9.5515 9.5524 9.9146 9.9155 10.8359 10.8368 k = 0.0000 0.0000 0.4437 ( 6908 PWs) bands (ev): -8.6102 -8.6035 -8.6003 -8.5934 -8.5189 -8.5115 -8.5021 -8.4958 -7.8813 -7.8782 -7.8522 -7.8487 -7.6881 -7.6850 -7.6810 -7.6780 -7.6014 -7.6008 -7.5967 -7.5960 -6.5543 -6.5530 -6.3186 -6.3173 -5.6830 -5.6819 -5.6734 -5.6723 0.5960 0.5974 0.7012 0.7027 2.5054 2.5062 2.8148 2.8159 3.3843 3.3976 3.4020 3.4103 3.5149 3.5323 3.5813 3.5945 3.6535 3.6620 3.7100 3.7210 3.8859 3.8883 3.9299 3.9305 4.9904 4.9922 5.0393 5.0406 5.1475 5.1492 5.2018 5.2027 5.6643 5.6669 5.8072 5.8094 5.8787 5.8813 5.9301 5.9339 6.2106 6.2132 6.2513 6.2532 8.8195 8.8236 8.9038 8.9113 8.9565 8.9588 8.9684 8.9784 9.5947 9.5956 9.8686 9.8695 10.8288 10.8295 k = 0.0000 0.0000 0.4615 ( 6900 PWs) bands (ev): -8.6085 -8.6027 -8.6009 -8.5949 -8.5164 -8.5092 -8.5051 -8.4986 -7.8766 -7.8734 -7.8570 -7.8536 -7.6872 -7.6842 -7.6822 -7.6793 -7.6006 -7.6001 -7.5973 -7.5966 -6.5159 -6.5146 -6.3581 -6.3568 -5.6826 -5.6817 -5.6745 -5.6736 0.6123 0.6137 0.6835 0.6850 2.5545 2.5554 2.7624 2.7634 3.3912 3.4013 3.4050 3.4119 3.5340 3.5506 3.5785 3.5925 3.6653 3.6742 3.7042 3.7148 3.8935 3.8958 3.9237 3.9246 4.9964 4.9980 5.0306 5.0319 5.1528 5.1543 5.1908 5.1918 5.6871 5.6895 5.7835 5.7857 5.9025 5.9057 5.9414 5.9458 6.1923 6.1960 6.2247 6.2274 8.8346 8.8394 8.8867 8.8950 8.9368 8.9412 8.9448 8.9554 9.6390 9.6399 9.8226 9.8234 10.8254 10.8258 k = 0.0000 0.0000 0.4792 ( 6889 PWs) bands (ev): -8.6069 -8.6037 -8.5997 -8.5964 -8.5138 -8.5081 -8.5066 -8.5014 -7.8719 -7.8688 -7.8617 -7.8584 -7.6861 -7.6841 -7.6825 -7.6805 -7.5999 -7.5995 -7.5976 -7.5972 -6.4773 -6.4760 -6.3974 -6.3961 -5.6821 -5.6816 -5.6751 -5.6746 0.6282 0.6295 0.6669 0.6682 2.6050 2.6059 2.7098 2.7108 3.3962 3.4013 3.4086 3.4121 3.5501 3.5654 3.5732 3.5872 3.6765 3.6854 3.6970 3.7068 3.9013 3.9034 3.9168 3.9182 5.0022 5.0036 5.0233 5.0245 5.1590 5.1602 5.1813 5.1822 5.7098 5.7121 5.7604 5.7625 5.9225 5.9263 5.9448 5.9494 6.1841 6.1881 6.2039 6.2072 8.8470 8.8527 8.8726 8.8807 8.9256 8.9295 8.9326 8.9401 9.6842 9.6850 9.7766 9.7775 10.8243 10.8245 k = 0.0000 0.0000 0.4970 ( 6886 PWs) bands (ev): -8.6053 -8.6053 -8.5980 -8.5980 -8.5110 -8.5110 -8.5040 -8.5040 -7.8675 -7.8675 -7.8629 -7.8629 -7.6851 -7.6851 -7.6816 -7.6816 -7.5995 -7.5995 -7.5976 -7.5976 -6.4438 -6.4438 -6.4298 -6.4298 -5.6818 -5.6818 -5.6751 -5.6751 0.6392 0.6392 0.6569 0.6569 2.6523 2.6523 2.6628 2.6628 3.3995 3.3995 3.4110 3.4110 3.5626 3.5626 3.5787 3.5787 3.6863 3.6863 3.6977 3.6977 3.9087 3.9087 3.9115 3.9115 5.0061 5.0061 5.0201 5.0201 5.1634 5.1634 5.1767 5.1767 5.7273 5.7273 5.7449 5.7449 5.9351 5.9351 5.9447 5.9447 6.1858 6.1858 6.1959 6.1959 8.8571 8.8571 8.8689 8.8689 8.9232 8.9232 8.9322 8.9322 9.7254 9.7254 9.7360 9.7360 10.8242 10.8242 k = 0.0000-0.5000 0.2491 ( 6878 PWs) bands (ev): -8.6249 -8.6249 -8.5941 -8.5941 -8.5270 -8.5270 -8.4737 -8.4737 -7.9392 -7.9392 -7.7994 -7.7994 -7.7021 -7.7021 -7.6619 -7.6619 -7.6138 -7.6138 -7.5923 -7.5923 -6.4887 -6.4887 -6.1859 -6.1859 -5.8066 -5.8066 -5.7042 -5.7042 0.6467 0.6467 1.1017 1.1017 2.1599 2.1599 2.5039 2.5039 2.6584 2.6584 2.9543 2.9543 3.3450 3.3450 3.6120 3.6120 3.6417 3.6417 3.6956 3.6956 3.8244 3.8244 4.1299 4.1299 5.0996 5.0996 5.1669 5.1669 5.2606 5.2606 5.3751 5.3751 5.4919 5.4919 5.7186 5.7186 5.8122 5.8122 5.9093 5.9093 6.0245 6.0245 6.4997 6.4997 9.1320 9.1320 9.5334 9.5334 10.1749 10.1749 10.8078 10.8078 11.1253 11.1253 11.2114 11.2114 11.6750 11.6750 k = 0.0000-0.4839 0.2410 ( 6877 PWs) bands (ev): -8.6251 -8.6246 -8.5966 -8.5914 -8.5307 -8.5233 -8.4742 -8.4731 -7.9427 -7.9355 -7.8029 -7.7959 -7.7026 -7.7015 -7.6632 -7.6606 -7.6138 -7.6137 -7.5926 -7.5920 -6.4965 -6.4903 -6.1853 -6.1774 -5.8070 -5.8055 -5.7042 -5.7038 0.6445 0.6465 1.0987 1.1038 2.1581 2.1599 2.4944 2.5117 2.6584 2.6682 2.9533 2.9582 3.3372 3.3469 3.5942 3.6208 3.6324 3.6571 3.6900 3.7030 3.8193 3.8310 4.1260 4.1339 5.0950 5.1043 5.1641 5.1699 5.2574 5.2639 5.3703 5.3784 5.4906 5.4923 5.7075 5.7259 5.8054 5.8172 5.9040 5.9167 6.0239 6.0313 6.4990 6.5049 9.1228 9.1295 9.5295 9.5380 10.1729 10.1773 10.7842 10.7938 11.1268 11.1464 11.2100 11.2132 11.6446 11.6803 k = 0.0000-0.4677 0.2330 ( 6880 PWs) bands (ev): -8.6253 -8.6244 -8.5990 -8.5887 -8.5345 -8.5196 -8.4748 -8.4725 -7.9462 -7.9319 -7.8063 -7.7925 -7.7030 -7.7009 -7.6643 -7.6592 -7.6139 -7.6136 -7.5929 -7.5917 -6.5124 -6.5011 -6.1758 -6.1611 -5.8069 -5.8039 -5.7041 -5.7032 0.6401 0.6440 1.0948 1.1049 2.1546 2.1580 2.4845 2.5168 2.6689 2.6863 2.9553 2.9649 3.3240 3.3430 3.5750 3.6059 3.6436 3.6711 3.6853 3.7128 3.8157 3.8388 4.1223 4.1381 5.0907 5.1090 5.1615 5.1729 5.2542 5.2673 5.3640 5.3801 5.4883 5.4918 5.6941 5.7284 5.7973 5.8198 5.9017 5.9251 6.0298 6.0442 6.5026 6.5141 9.1028 9.1155 9.5263 9.5425 10.1714 10.1803 10.7352 10.7517 11.1361 11.1721 11.2078 11.2167 11.6122 11.6678 k = 0.0000-0.4516 0.2250 ( 6879 PWs) bands (ev): -8.6254 -8.6240 -8.6013 -8.5859 -8.5382 -8.5159 -8.4754 -8.4719 -7.9496 -7.9282 -7.8096 -7.7890 -7.7033 -7.7003 -7.6654 -7.6578 -7.6140 -7.6135 -7.5932 -7.5914 -6.5343 -6.5195 -6.1591 -6.1392 -5.8062 -5.8018 -5.7036 -5.7023 0.6334 0.6392 1.0902 1.1051 2.1496 2.1545 2.4755 2.5197 2.6889 2.7111 2.9604 2.9742 3.3062 3.3334 3.5554 3.5893 3.6529 3.6798 3.6851 3.7248 3.8140 3.8474 4.1191 4.1423 5.0867 5.1135 5.1592 5.1761 5.2512 5.2706 5.3564 5.3803 5.4851 5.4906 5.6794 5.7256 5.7883 5.8195 5.9027 5.9337 6.0421 6.0627 6.5105 6.5270 9.0736 9.0912 9.5230 9.5456 10.1707 10.1840 10.6769 10.6982 11.1259 11.1614 11.2138 11.2236 11.6043 11.6613 k = 0.0000-0.4355 0.2169 ( 6878 PWs) bands (ev): -8.6255 -8.6237 -8.6035 -8.5830 -8.5418 -8.5123 -8.4760 -8.4713 -7.9527 -7.9246 -7.8127 -7.7856 -7.7036 -7.6997 -7.6663 -7.6563 -7.6140 -7.6135 -7.5936 -7.5912 -6.5604 -6.5435 -6.1372 -6.1135 -5.8050 -5.7991 -5.7029 -5.7012 0.6246 0.6320 1.0851 1.1044 2.1435 2.1498 2.4682 2.5214 2.7165 2.7412 2.9687 2.9860 3.2847 3.3191 3.5357 3.5729 3.6580 3.6762 3.6966 3.7376 3.8139 3.8565 4.1161 4.1462 5.0831 5.1175 5.1575 5.1792 5.2483 5.2739 5.3476 5.3793 5.4809 5.4888 5.6644 5.7182 5.7787 5.8160 5.9069 5.9420 6.0607 6.0866 6.5223 6.5432 9.0371 9.0581 9.5187 9.5461 10.1708 10.1890 10.6185 10.6435 11.0804 11.1077 11.2244 11.2318 11.6276 11.6697 k = 0.0000-0.4194 0.2089 ( 6881 PWs) bands (ev): -8.6256 -8.6233 -8.6056 -8.5801 -8.5454 -8.5087 -8.4766 -8.4707 -7.9558 -7.9211 -7.8157 -7.7823 -7.7039 -7.6991 -7.6670 -7.6548 -7.6141 -7.6134 -7.5939 -7.5910 -6.5890 -6.5710 -6.1119 -6.0854 -5.8032 -5.7959 -5.7020 -5.6998 0.6138 0.6227 1.0797 1.1031 2.1365 2.1441 2.4627 2.5231 2.7494 2.7754 2.9803 3.0000 3.2605 3.3012 3.5164 3.5571 3.6592 3.6723 3.7079 3.7495 3.8154 3.8657 4.1133 4.1498 5.0798 5.1206 5.1564 5.1822 5.2455 5.2771 5.3380 5.3772 5.4760 5.4864 5.6497 5.7075 5.7685 5.8091 5.9135 5.9498 6.0850 6.1150 6.5375 6.5622 8.9948 9.0182 9.5125 9.5434 10.1720 10.1954 10.5641 10.5923 11.0017 11.0275 11.2352 11.2401 11.6649 11.6861 k = 0.0000-0.4032 0.2009 ( 6875 PWs) bands (ev): -8.6257 -8.6229 -8.6075 -8.5771 -8.5489 -8.5053 -8.4772 -8.4701 -7.9586 -7.9177 -7.8184 -7.7791 -7.7040 -7.6985 -7.6674 -7.6533 -7.6141 -7.6133 -7.5942 -7.5908 -6.6194 -6.6010 -6.0846 -6.0561 -5.8008 -5.7921 -5.7008 -5.6981 0.6012 0.6114 1.0742 1.1013 2.1290 2.1378 2.4591 2.5253 2.7860 2.8124 2.9950 3.0161 3.2350 3.2808 3.4976 3.5420 3.6569 3.6691 3.7178 3.7596 3.8183 3.8748 4.1108 4.1529 5.0769 5.1224 5.1562 5.1852 5.2428 5.2799 5.3277 5.3743 5.4706 5.4833 5.6357 5.6949 5.7580 5.7995 5.9217 5.9570 6.1144 6.1474 6.5557 6.5833 8.9481 8.9730 9.5042 9.5373 10.1742 10.2037 10.5154 10.5469 10.9014 10.9314 11.2466 11.2493 11.6960 11.7021 k = 0.0000-0.3871 0.1928 ( 6876 PWs) bands (ev): -8.6257 -8.6225 -8.6094 -8.5741 -8.5523 -8.5019 -8.4777 -8.4695 -7.9611 -7.9146 -7.8208 -7.7760 -7.7041 -7.6981 -7.6676 -7.6517 -7.6141 -7.6133 -7.5945 -7.5906 -6.6507 -6.6324 -6.0563 -6.0262 -5.7979 -5.7879 -5.6995 -5.6961 0.5870 0.5981 1.0689 1.0993 2.1212 2.1313 2.4574 2.5285 2.8244 2.8505 3.0130 3.0340 3.2096 3.2595 3.4797 3.5278 3.6518 3.6661 3.7261 3.7674 3.8223 3.8835 4.1082 4.1553 5.0744 5.1227 5.1568 5.1879 5.2402 5.2825 5.3170 5.3707 5.4649 5.4794 5.6226 5.6815 5.7474 5.7877 5.9304 5.9635 6.1480 6.1832 6.5763 6.6061 8.8981 8.9237 9.4943 9.5286 10.1769 10.2136 10.4729 10.5080 10.7902 10.8257 11.2584 11.2595 11.7072 11.7184 k = 0.0000-0.3710 0.1848 ( 6876 PWs) bands (ev): -8.6256 -8.6220 -8.6110 -8.5713 -8.5554 -8.4987 -8.4782 -8.4689 -7.9635 -7.9118 -7.8228 -7.7731 -7.7041 -7.6978 -7.6675 -7.6501 -7.6142 -7.6133 -7.5948 -7.5905 -6.6825 -6.6646 -6.0275 -5.9962 -5.7945 -5.7832 -5.6979 -5.6940 0.5714 0.5832 1.0641 1.0972 2.1133 2.1249 2.4575 2.5326 2.8630 2.8878 3.0336 3.0533 3.1866 3.2389 3.4629 3.5146 3.6449 3.6625 3.7325 3.7727 3.8269 3.8915 4.1053 4.1568 5.0721 5.1215 5.1577 5.1904 5.2376 5.2846 5.3059 5.3665 5.4590 5.4747 5.6108 5.6683 5.7372 5.7745 5.9388 5.9694 6.1853 6.2219 6.5988 6.6302 8.8455 8.8710 9.4835 9.5184 10.1794 10.2245 10.4365 10.4756 10.6744 10.7154 11.2695 11.2714 11.7089 11.7257 k = 0.0000-0.3548 0.1768 ( 6873 PWs) bands (ev): -8.6256 -8.6216 -8.6126 -8.5689 -8.5579 -8.4956 -8.4787 -8.4683 -7.9656 -7.9094 -7.8243 -7.7703 -7.7040 -7.6977 -7.6671 -7.6485 -7.6141 -7.6132 -7.5951 -7.5904 -6.7145 -6.6971 -5.9987 -5.9665 -5.7906 -5.7781 -5.6962 -5.6916 0.5545 0.5669 1.0598 1.0952 2.1056 2.1187 2.4592 2.5378 2.8995 2.9210 3.0542 3.0745 3.1701 3.2218 3.4474 3.5027 3.6369 3.6580 3.7369 3.7756 3.8318 3.8988 4.1020 4.1572 5.0701 5.1190 5.1583 5.1926 5.2352 5.2860 5.2949 5.3619 5.4534 5.4692 5.6002 5.6561 5.7277 5.7604 5.9465 5.9750 6.2256 6.2630 6.6228 6.6552 8.7904 8.8153 9.4731 9.5082 10.1804 10.2348 10.4054 10.4470 10.5595 10.6068 11.2802 11.2838 11.7057 11.7261 k = 0.0000-0.3387 0.1687 ( 6874 PWs) bands (ev): -8.6255 -8.6211 -8.6140 -8.5680 -8.5589 -8.4928 -8.4790 -8.4677 -7.9675 -7.9075 -7.8253 -7.7677 -7.7040 -7.6977 -7.6662 -7.6469 -7.6141 -7.6132 -7.5954 -7.5903 -6.7463 -6.7297 -5.9703 -5.9375 -5.7862 -5.7727 -5.6943 -5.6889 0.5367 0.5494 1.0563 1.0935 2.0980 2.1129 2.4625 2.5439 2.9302 2.9467 3.0691 3.0996 3.1659 3.2123 3.4333 3.4922 3.6279 3.6524 3.7392 3.7764 3.8368 3.9051 4.0980 4.1564 5.0682 5.1156 5.1580 5.1944 5.2328 5.2823 5.2882 5.3567 5.4481 5.4629 5.5907 5.6456 5.7192 5.7458 5.9533 5.9805 6.2685 6.3061 6.6478 6.6807 8.7329 8.7569 9.4639 9.4993 10.1792 10.2412 10.3732 10.4048 10.4599 10.5168 11.2906 11.2959 11.7002 11.7236 k = 0.0000-0.3226 0.1607 ( 6875 PWs) bands (ev): -8.6254 -8.6206 -8.6153 -8.5691 -8.5577 -8.4903 -8.4792 -8.4671 -7.9691 -7.9062 -7.8257 -7.7652 -7.7038 -7.6979 -7.6650 -7.6452 -7.6141 -7.6132 -7.5956 -7.5902 -6.7777 -6.7620 -5.9426 -5.9092 -5.7814 -5.7668 -5.6922 -5.6861 0.5182 0.5309 1.0536 1.0921 2.0909 2.1075 2.4672 2.5511 2.9458 2.9653 3.0780 3.1264 3.1778 3.2166 3.4208 3.4833 3.6181 3.6456 3.7396 3.7750 3.8415 3.9106 4.0932 4.1542 5.0664 5.1113 5.1564 5.1958 5.2305 5.2712 5.2886 5.3509 5.4434 5.4563 5.5819 5.6376 5.7117 5.7311 5.9594 5.9863 6.3134 6.3507 6.6734 6.7064 8.6728 8.6954 9.4567 9.4928 10.1749 10.2349 10.3043 10.3251 10.4138 10.4789 11.3002 11.3072 11.6944 11.7213 k = 0.0000-0.3065 0.1527 ( 6880 PWs) bands (ev): -8.6253 -8.6202 -8.6164 -8.5714 -8.5552 -8.4884 -8.4790 -8.4665 -7.9705 -7.9054 -7.8255 -7.7630 -7.7037 -7.6982 -7.6635 -7.6435 -7.6141 -7.6132 -7.5958 -7.5902 -6.8087 -6.7938 -5.9157 -5.8820 -5.7763 -5.7607 -5.6900 -5.6831 0.4992 0.5118 1.0518 1.0914 2.0842 2.1026 2.4734 2.5592 2.9415 2.9761 3.0891 3.1494 3.2048 3.2369 3.4102 3.4760 3.6077 3.6379 3.7381 3.7719 3.8461 3.9153 4.0873 4.1507 5.0646 5.1063 5.1532 5.1965 5.2282 5.2595 5.2891 5.3445 5.4394 5.4497 5.5733 5.6321 5.7053 5.7166 5.9657 5.9931 6.3598 6.3965 6.6995 6.7322 8.6100 8.6309 9.4515 9.4892 10.1547 10.1850 10.2141 10.2664 10.4113 10.4758 11.3086 11.3176 11.6901 11.7209 k = 0.0000-0.2903 0.1446 ( 6893 PWs) bands (ev): -8.6252 -8.6199 -8.6173 -8.5742 -8.5523 -8.4872 -8.4782 -8.4659 -7.9715 -7.9053 -7.8247 -7.7611 -7.7035 -7.6986 -7.6616 -7.6419 -7.6142 -7.6131 -7.5960 -7.5902 -6.8389 -6.8250 -5.8899 -5.8559 -5.7707 -5.7542 -5.6877 -5.6799 0.4799 0.4922 1.0511 1.0912 2.0782 2.0984 2.4809 2.5684 2.9246 2.9742 3.1073 3.1698 3.2418 3.2676 3.4015 3.4704 3.5968 3.6293 3.7348 3.7671 3.8506 3.9193 4.0803 4.1456 5.0626 5.1003 5.1482 5.1962 5.2255 5.2479 5.2895 5.3375 5.4362 5.4438 5.5648 5.6290 5.6985 5.7036 5.9732 6.0013 6.4073 6.4430 6.7257 6.7577 8.5440 8.5631 9.4479 9.4881 10.0599 10.1027 10.1760 10.2537 10.4260 10.4864 11.3155 11.3269 11.6881 11.7235 k = 0.0000-0.2742 0.1366 ( 6895 PWs) bands (ev): -8.6251 -8.6198 -8.6178 -8.5769 -8.5491 -8.4867 -8.4769 -8.4653 -7.9723 -7.9057 -7.8232 -7.7593 -7.7033 -7.6990 -7.6595 -7.6401 -7.6141 -7.6131 -7.5962 -7.5902 -6.8684 -6.8555 -5.8652 -5.8312 -5.7649 -5.7476 -5.6853 -5.6765 0.4605 0.4726 1.0513 1.0916 2.0729 2.0947 2.4896 2.5785 2.9015 2.9620 3.1311 3.1907 3.2816 3.3024 3.3955 3.4667 3.5857 3.6202 3.7300 3.7610 3.8551 3.9226 4.0723 4.1392 5.0603 5.0935 5.1419 5.1949 5.2223 5.2368 5.2901 5.3304 5.4336 5.4390 5.5563 5.6277 5.6869 5.6966 5.9832 6.0116 6.4554 6.4898 6.7519 6.7829 8.4748 8.4920 9.4448 9.4883 9.9527 9.9950 10.1760 10.2504 10.4494 10.5046 11.3206 11.3349 11.6890 11.7294 k = 0.0000-0.2581 0.1286 ( 6888 PWs) bands (ev): -8.6249 -8.6201 -8.6178 -8.5796 -8.5459 -8.4867 -8.4751 -8.4647 -7.9728 -7.9067 -7.8212 -7.7578 -7.7031 -7.6995 -7.6570 -7.6383 -7.6141 -7.6131 -7.5962 -7.5902 -6.8970 -6.8850 -5.8418 -5.8080 -5.7588 -5.7407 -5.6828 -5.6729 0.4413 0.4529 1.0526 1.0927 2.0685 2.0917 2.4996 2.5896 2.8757 2.9442 3.1578 3.2121 3.3176 3.3372 3.3941 3.4650 3.5750 3.6111 3.7243 3.7541 3.8595 3.9255 4.0634 4.1314 5.0574 5.0858 5.1346 5.1921 5.2172 5.2270 5.2910 5.3240 5.4311 5.4365 5.5478 5.6270 5.6741 5.6918 5.9970 6.0252 6.5037 6.5364 6.7779 6.8077 8.4023 8.4175 9.4408 9.4878 9.8472 9.8892 10.1843 10.2552 10.4782 10.5279 11.3238 11.3419 11.6923 11.7385 k = 0.0000-0.2419 0.1205 ( 6886 PWs) bands (ev): -8.6248 -8.6205 -8.6175 -8.5823 -8.5427 -8.4871 -8.4733 -8.4641 -7.9731 -7.9081 -7.8187 -7.7565 -7.7029 -7.6999 -7.6543 -7.6365 -7.6141 -7.6130 -7.5963 -7.5903 -6.9245 -6.9135 -5.8198 -5.7864 -5.7524 -5.7337 -5.6802 -5.6693 0.4225 0.4336 1.0548 1.0944 2.0650 2.0893 2.5106 2.6018 2.8490 2.9239 3.1855 3.2332 3.3393 3.3708 3.4010 3.4663 3.5654 3.6027 3.7185 3.7472 3.8639 3.9281 4.0539 4.1224 5.0535 5.0774 5.1269 5.1878 5.2085 5.2202 5.2921 5.3190 5.4285 5.4361 5.5395 5.6257 5.6623 5.6870 6.0156 6.0428 6.5516 6.5824 6.8036 6.8318 8.3265 8.3398 9.4341 9.4843 9.7456 9.7869 10.2025 10.2702 10.5105 10.5548 11.3252 11.3480 11.6973 11.7499 k = 0.0000-0.2258 0.1125 ( 6893 PWs) bands (ev): -8.6248 -8.6210 -8.6170 -8.5849 -8.5395 -8.4876 -8.4714 -8.4635 -7.9730 -7.9100 -7.8158 -7.7556 -7.7028 -7.7003 -7.6515 -7.6346 -7.6141 -7.6130 -7.5963 -7.5903 -6.9509 -6.9409 -5.7993 -5.7667 -5.7459 -5.7265 -5.6774 -5.6655 0.4041 0.4147 1.0580 1.0968 2.0624 2.0877 2.5227 2.6149 2.8227 2.9031 3.2131 3.2531 3.3442 3.3975 3.4168 3.4717 3.5579 3.5961 3.7139 3.7414 3.8685 3.9303 4.0441 4.1125 5.0479 5.0690 5.1192 5.1820 5.1971 5.2151 5.2938 5.3160 5.4264 5.4373 5.5312 5.6224 5.6523 5.6817 6.0399 6.0654 6.5987 6.6274 6.8287 6.8553 8.2477 8.2590 9.4234 9.4758 9.6491 9.6892 10.2322 10.2967 10.5454 10.5841 11.3249 11.3536 11.7019 11.7603 k = 0.0000-0.2097 0.1044 ( 6896 PWs) bands (ev): -8.6247 -8.6214 -8.6166 -8.5874 -8.5364 -8.4883 -8.4696 -8.4629 -7.9727 -7.9121 -7.8126 -7.7548 -7.7028 -7.7006 -7.6486 -7.6327 -7.6142 -7.6129 -7.5962 -7.5904 -6.9762 -6.9671 -5.7803 -5.7491 -5.7393 -5.7191 -5.6744 -5.6615 0.3865 0.3964 1.0619 1.0997 2.0609 2.0868 2.5356 2.6288 2.7975 2.8828 3.2397 3.2707 3.3411 3.4056 3.4401 3.4785 3.5541 3.5923 3.7125 3.7385 3.8732 3.9324 4.0343 4.1019 5.0401 5.0614 5.1120 5.1750 5.1847 5.2103 5.2962 5.3151 5.4253 5.4397 5.5230 5.6165 5.6442 5.6756 6.0702 6.0938 6.6445 6.6708 6.8534 6.8781 8.1659 8.1755 9.4076 9.4604 9.5592 9.5971 10.2740 10.3352 10.5823 10.6151 11.3230 11.3590 11.7028 11.7580 k = 0.0000-0.1935 0.0964 ( 6901 PWs) bands (ev): -8.6246 -8.6217 -8.6161 -8.5897 -8.5333 -8.4891 -8.4679 -8.4623 -7.9722 -7.9146 -7.8092 -7.7544 -7.7028 -7.7007 -7.6456 -7.6309 -7.6143 -7.6128 -7.5961 -7.5905 -7.0001 -6.9919 -5.7628 -5.7345 -5.7320 -5.7115 -5.6711 -5.6575 0.3696 0.3789 1.0666 1.1030 2.0604 2.0866 2.5493 2.6434 2.7741 2.8639 3.2642 3.2844 3.3350 3.4020 3.4603 3.4807 3.5549 3.5914 3.7163 3.7400 3.8781 3.9344 4.0248 4.0910 5.0304 5.0550 5.1051 5.1658 5.1733 5.2054 5.2992 5.3164 5.4251 5.4430 5.5148 5.6087 5.6373 5.6684 6.1068 6.1285 6.6885 6.7122 6.8773 6.9001 8.0814 8.0894 9.3856 9.4322 9.4824 9.5122 10.3269 10.3846 10.6207 10.6471 11.3201 11.3645 11.6957 11.7500 k = 0.0000-0.1774 0.0884 ( 6900 PWs) bands (ev): -8.6246 -8.6219 -8.6155 -8.5920 -8.5303 -8.4900 -8.4663 -8.4617 -7.9713 -7.9172 -7.8056 -7.7542 -7.7028 -7.7008 -7.6426 -7.6290 -7.6144 -7.6127 -7.5959 -7.5905 -7.0226 -7.0152 -5.7470 -5.7266 -5.7207 -5.7037 -5.6672 -5.6534 0.3537 0.3623 1.0720 1.1067 2.0610 2.0871 2.5635 2.6585 2.7530 2.8469 3.2843 3.2929 3.3286 3.3921 3.4712 3.4790 3.5588 3.5923 3.7267 3.7470 3.8834 3.9364 4.0160 4.0799 5.0198 5.0493 5.0985 5.1529 5.1651 5.2002 5.3030 5.3196 5.4258 5.4472 5.5064 5.6001 5.6308 5.6603 6.1497 6.1696 6.7302 6.7512 6.9006 6.9213 7.9946 8.0012 9.3526 9.3771 9.4326 9.4418 10.3892 10.4430 10.6605 10.6797 11.3170 11.3708 11.6803 11.7397 k = 0.0000-0.1613 0.0803 ( 6906 PWs) bands (ev): -8.6246 -8.6220 -8.6150 -8.5941 -8.5274 -8.4910 -8.4648 -8.4612 -7.9703 -7.9199 -7.8020 -7.7543 -7.7029 -7.7008 -7.6396 -7.6272 -7.6145 -7.6125 -7.5956 -7.5906 -7.0436 -7.0370 -5.7328 -5.7201 -5.7107 -5.6960 -5.6626 -5.6493 0.3388 0.3467 1.0778 1.1106 2.0624 2.0881 2.5780 2.6730 2.7355 2.8325 3.2874 3.3033 3.3251 3.3779 3.4668 3.4833 3.5643 3.5938 3.7426 3.7592 3.8891 3.9384 4.0082 4.0691 5.0095 5.0438 5.0920 5.1385 5.1588 5.1947 5.3076 5.3244 5.4271 5.4520 5.4978 5.5917 5.6240 5.6510 6.1987 6.2169 6.7692 6.7874 6.9231 6.9416 7.9056 7.9110 9.2969 9.3167 9.3818 9.4070 10.4577 10.5073 10.7011 10.7132 11.3149 11.3784 11.6606 11.7217 k = 0.0000-0.1452 0.0723 ( 6906 PWs) bands (ev): -8.6246 -8.6221 -8.6145 -8.5961 -8.5246 -8.4920 -8.4635 -8.4606 -7.9690 -7.9228 -7.7983 -7.7547 -7.7030 -7.7008 -7.6366 -7.6254 -7.6146 -7.6124 -7.5953 -7.5906 -7.0631 -7.0572 -5.7205 -5.7136 -5.7027 -5.6893 -5.6570 -5.6452 0.3251 0.3323 1.0840 1.1146 2.0647 2.0896 2.5925 2.6843 2.7243 2.8210 3.2769 3.3082 3.3258 3.3599 3.4606 3.4861 3.5711 3.5957 3.7615 3.7750 3.8954 3.9405 4.0015 4.0588 5.0001 5.0385 5.0855 5.1238 5.1536 5.1891 5.3130 5.3306 5.4289 5.4575 5.4889 5.5839 5.6168 5.6407 6.2536 6.2703 6.8050 6.8204 6.9447 6.9610 7.8148 7.8194 9.2320 9.2554 9.3454 9.3774 10.5284 10.5738 10.7400 10.7501 11.3157 11.3883 11.6399 11.6986 k = 0.0000-0.1290 0.0643 ( 6914 PWs) bands (ev): -8.6245 -8.6222 -8.6140 -8.5980 -8.5219 -8.4931 -8.4624 -8.4601 -7.9675 -7.9258 -7.7947 -7.7554 -7.7030 -7.7007 -7.6338 -7.6237 -7.6148 -7.6122 -7.5949 -7.5907 -7.0808 -7.0756 -5.7106 -5.7068 -5.6959 -5.6841 -5.6507 -5.6411 0.3126 0.3191 1.0904 1.1185 2.0676 2.0914 2.6065 2.6859 2.7260 2.8127 3.2615 3.3024 3.3257 3.3387 3.4581 3.4877 3.5792 3.5986 3.7805 3.7924 3.9023 3.9426 3.9963 4.0491 4.9922 5.0334 5.0789 5.1094 5.1495 5.1835 5.3190 5.3380 5.4309 5.4634 5.4796 5.5770 5.6094 5.6296 6.3140 6.3293 6.8372 6.8499 6.9652 6.9795 7.7226 7.7266 9.1712 9.1947 9.3164 9.3485 10.5963 10.6384 10.7752 10.7930 11.3218 11.4015 11.6206 11.6756 k = 0.0000-0.1129 0.0562 ( 6911 PWs) bands (ev): -8.6244 -8.6222 -8.6134 -8.5997 -8.5193 -8.4942 -8.4614 -8.4597 -7.9658 -7.9288 -7.7910 -7.7562 -7.7029 -7.7007 -7.6312 -7.6221 -7.6149 -7.6121 -7.5944 -7.5906 -7.0967 -7.0922 -5.7038 -5.6988 -5.6900 -5.6804 -5.6442 -5.6371 0.3015 0.3072 1.0968 1.1221 2.0711 2.0933 2.6197 2.6800 2.7381 2.8080 3.2435 3.2899 3.3152 3.3194 3.4605 3.4896 3.5882 3.6026 3.7979 3.8094 3.9099 3.9449 3.9926 4.0402 4.9860 5.0285 5.0722 5.0956 5.1464 5.1779 5.3258 5.3464 5.4327 5.4687 5.4710 5.5713 5.6016 5.6182 6.3796 6.3935 6.8655 6.8759 6.9846 6.9970 7.6291 7.6331 9.1166 9.1386 9.2908 9.3206 10.6562 10.6962 10.8114 10.8375 11.3357 11.4187 11.6049 11.6558 k = 0.0000-0.0968 0.0482 ( 6915 PWs) bands (ev): -8.6243 -8.6223 -8.6128 -8.6013 -8.5168 -8.4954 -8.4605 -8.4592 -7.9639 -7.9318 -7.7875 -7.7574 -7.7028 -7.7007 -7.6288 -7.6207 -7.6149 -7.6119 -7.5939 -7.5906 -7.1108 -7.1069 -5.6984 -5.6915 -5.6848 -5.6777 -5.6381 -5.6333 0.2918 0.2967 1.1031 1.1253 2.0750 2.0950 2.6316 2.6736 2.7531 2.8069 3.2246 3.2720 3.2930 3.3063 3.4664 3.4924 3.5975 3.6076 3.8129 3.8244 3.9179 3.9473 3.9905 4.0323 4.9818 5.0239 5.0656 5.0826 5.1443 5.1725 5.3332 5.3554 5.4340 5.4597 5.4768 5.5668 5.5932 5.6070 6.4498 6.4624 6.8896 6.8980 7.0025 7.0131 7.5350 7.5392 9.0689 9.0886 9.2680 9.2944 10.7051 10.7423 10.8509 10.8795 11.3590 11.4395 11.5964 11.6415 k = 0.0000-0.0806 0.0402 ( 6917 PWs) bands (ev): -8.6242 -8.6224 -8.6123 -8.6028 -8.5144 -8.4966 -8.4598 -8.4588 -7.9619 -7.9349 -7.7840 -7.7588 -7.7026 -7.7008 -7.6267 -7.6196 -7.6148 -7.6118 -7.5933 -7.5906 -7.1228 -7.1196 -5.6938 -5.6858 -5.6801 -5.6757 -5.6327 -5.6297 0.2835 0.2876 1.1091 1.1280 2.0789 2.0965 2.6416 2.6689 2.7683 2.8091 3.2057 3.2492 3.2742 3.2897 3.4740 3.4956 3.6063 3.6131 3.8253 3.8367 3.9260 3.9496 3.9899 4.0253 4.9795 5.0195 5.0591 5.0707 5.1431 5.1675 5.3413 5.3649 5.4345 5.4494 5.4839 5.5635 5.5836 5.5970 6.5241 6.5355 6.9095 6.9164 7.0187 7.0275 7.4408 7.4454 9.0284 9.0454 9.2483 9.2707 10.7431 10.7751 10.8918 10.9156 11.3900 11.4601 11.6004 11.6360 k = 0.0000-0.0645 0.0321 ( 6922 PWs) bands (ev): -8.6240 -8.6225 -8.6117 -8.6042 -8.5121 -8.4980 -8.4592 -8.4585 -7.9597 -7.9379 -7.7807 -7.7604 -7.7024 -7.7009 -7.6248 -7.6190 -7.6146 -7.6118 -7.5927 -7.5906 -7.1327 -7.1301 -5.6898 -5.6817 -5.6761 -5.6740 -5.6283 -5.6266 0.2767 0.2800 1.1146 1.1300 2.0829 2.0976 2.6495 2.6664 2.7827 2.8136 3.1881 3.2247 3.2588 3.2726 3.4817 3.4987 3.6143 3.6187 3.8353 3.8458 3.9336 3.9518 3.9908 4.0192 4.9791 5.0152 5.0530 5.0605 5.1427 5.1628 5.3499 5.3743 5.4338 5.4391 5.4914 5.5615 5.5729 5.5888 6.6018 6.6121 6.9251 6.9309 7.0328 7.0399 7.3471 7.3523 8.9953 9.0093 9.2319 9.2502 10.7716 10.7971 10.9284 10.9439 11.4224 11.4739 11.6227 11.6446 k = 0.0000-0.0484 0.0241 ( 6922 PWs) bands (ev): -8.6238 -8.6226 -8.6110 -8.6055 -8.5100 -8.4994 -8.4587 -8.4583 -7.9573 -7.9409 -7.7775 -7.7622 -7.7022 -7.7010 -7.6232 -7.6187 -7.6141 -7.6118 -7.5922 -7.5906 -7.1405 -7.1385 -5.6864 -5.6793 -5.6729 -5.6723 -5.6249 -5.6239 0.2715 0.2740 1.1195 1.1313 2.0866 2.0980 2.6554 2.6656 2.7958 2.8190 3.1732 3.2017 3.2463 3.2569 3.4886 3.5011 3.6210 3.6237 3.8430 3.8519 3.9403 3.9534 3.9928 4.0141 4.9806 5.0106 5.0476 5.0524 5.1432 5.1584 5.3590 5.3833 5.4290 5.4320 5.4994 5.5588 5.5634 5.5821 6.6822 6.6914 6.9363 6.9415 7.0444 7.0497 7.2552 7.2610 8.9699 8.9805 9.2193 9.2331 10.7924 10.8112 10.9568 10.9651 11.4475 11.4793 11.6604 11.6737 k = 0.0000-0.0323 0.0161 ( 6924 PWs) bands (ev): -8.6236 -8.6228 -8.6103 -8.6066 -8.5079 -8.5009 -8.4584 -8.4581 -7.9548 -7.9438 -7.7745 -7.7643 -7.7020 -7.7012 -7.6219 -7.6189 -7.6135 -7.6119 -7.5917 -7.5906 -7.1460 -7.1447 -5.6835 -5.6784 -5.6708 -5.6705 -5.6225 -5.6219 0.2679 0.2696 1.1237 1.1316 2.0900 2.0978 2.6595 2.6656 2.8072 2.8233 3.1625 3.1822 3.2372 3.2443 3.4942 3.5025 3.6261 3.6276 3.8489 3.8552 3.9456 3.9542 3.9956 4.0097 4.9837 5.0054 5.0433 5.0467 5.1442 5.1546 5.3684 5.3903 5.4206 5.4287 5.5079 5.5486 5.5627 5.5763 6.7639 6.7717 6.9421 6.9471 7.0532 7.0564 7.1677 7.1738 8.9521 8.9593 9.2108 9.2200 10.8070 10.8194 10.9759 10.9800 11.4620 11.4795 11.7060 11.7204 k = 0.0000-0.0161 0.0080 ( 6921 PWs) bands (ev): -8.6234 -8.6230 -8.6095 -8.6077 -8.5060 -8.5025 -8.4582 -8.4580 -7.9522 -7.9467 -7.7717 -7.7665 -7.7017 -7.7013 -7.6208 -7.6193 -7.6129 -7.6121 -7.5913 -7.5908 -7.1492 -7.1485 -5.6813 -5.6786 -5.6696 -5.6693 -5.6210 -5.6207 0.2659 0.2667 1.1271 1.1310 2.0929 2.0969 2.6624 2.6654 2.8164 2.8248 3.1575 3.1676 3.2321 3.2356 3.4985 3.5026 3.6293 3.6300 3.8530 3.8564 3.9497 3.9539 3.9989 4.0059 4.9881 4.9995 5.0411 5.0429 5.1460 5.1512 5.3779 5.3920 5.4169 5.4243 5.5171 5.5375 5.5645 5.5715 6.8433 6.8494 6.9383 6.9436 7.0580 7.0590 7.0944 7.0988 8.9422 8.9458 9.2065 9.2112 10.8165 10.8227 10.9868 10.9889 11.4694 11.4773 11.7559 11.7683 k = 0.0000 0.0000 0.0000 ( 6911 PWs) bands (ev): -8.6232 -8.6232 -8.6086 -8.6086 -8.5041 -8.5041 -8.4580 -8.4580 -7.9494 -7.9494 -7.7690 -7.7690 -7.7015 -7.7015 -7.6199 -7.6199 -7.6124 -7.6124 -7.5909 -7.5909 -7.1500 -7.1500 -5.6796 -5.6796 -5.6690 -5.6690 -5.6204 -5.6204 0.2655 0.2655 1.1295 1.1295 2.0952 2.0952 2.6644 2.6644 2.8225 2.8225 3.1592 3.1592 3.2315 3.2315 3.5013 3.5013 3.6306 3.6306 3.8556 3.8556 3.9524 3.9524 4.0023 4.0023 4.9936 4.9936 5.0410 5.0410 5.1484 5.1484 5.3866 5.3866 5.4195 5.4195 5.5270 5.5270 5.5676 5.5676 6.9079 6.9079 6.9144 6.9144 7.0527 7.0527 7.0690 7.0690 8.9401 8.9401 9.2066 9.2066 10.8216 10.8216 10.9911 10.9911 11.4739 11.4739 11.7942 11.7942 Writing output data file InCuSe2.save init_run : 2.74s CPU 12.21s WALL ( 1 calls) electrons : 1230.84s CPU 1243.54s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.27s CPU 1.68s WALL ( 1 calls) Called by electrons: c_bands : 1230.80s CPU 1243.13s WALL ( 1 calls) v_of_rho : 0.09s CPU 1.05s WALL ( 1 calls) v_h : 0.03s CPU 0.15s WALL ( 1 calls) v_xc : 0.05s CPU 0.62s WALL ( 1 calls) newd : 0.34s CPU 0.64s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.10s WALL ( 237 calls) cegterg : 1159.40s CPU 1168.40s WALL ( 474 calls) Called by sum_band: Called by *egterg: h_psi : 469.37s CPU 476.44s WALL ( 7389 calls) s_psi : 42.13s CPU 42.29s WALL ( 7389 calls) g_psi : 1.09s CPU 1.17s WALL ( 6678 calls) cdiaghg : 484.98s CPU 484.35s WALL ( 6915 calls) cegterg:over : 102.94s CPU 101.73s WALL ( 6678 calls) cegterg:upda : 35.22s CPU 36.54s WALL ( 6678 calls) cegterg:last : 25.30s CPU 25.58s WALL ( 1185 calls) Called by h_psi: h_psi:vloc : 383.53s CPU 388.65s WALL ( 7389 calls) h_psi:vnl : 85.25s CPU 86.66s WALL ( 7389 calls) add_vuspsi : 32.80s CPU 35.12s WALL ( 7389 calls) General routines calbec : 52.42s CPU 51.44s WALL ( 7389 calls) fft : 0.42s CPU 1.21s WALL ( 19 calls) ffts : 0.01s CPU 0.12s WALL ( 4 calls) fftw : 367.62s CPU 371.13s WALL ( 1287900 calls) interpolate : 0.02s CPU 0.13s WALL ( 4 calls) davcio : 0.04s CPU 2.53s WALL ( 474 calls) Parallel routines fft_scatter : 233.63s CPU 233.47s WALL ( 1287923 calls) PWSCF : 21m47.23s CPU 24m20.93s WALL This run was terminated on: 18: 9:56 28Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=