Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 23: 8: 8 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 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./SiH3I.save/ file I.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 33 27 7 2045 1534 225 Max 34 28 8 2057 1559 237 Sum 2411 1997 559 147629 111427 16715 bravais-lattice index = 14 lattice parameter (alat) = 15.8506 a.u. unit-cell volume = 2643.8106 (a.u.)^3 number of atoms/cell = 20 number of atomic types = 3 number of electrons = 56.00 number of Kohn-Sham states= 68 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 222.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 15.850644 celldm(2)= 0.544124 celldm(3)= 1.252843 celldm(4)= 0.227161 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 0.544124 0.000000 ) a(3) = ( 0.000000 0.284597 1.220091 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.837818 -0.428688 ) b(3) = ( 0.000000 0.000000 0.819611 ) PseudoPot. # 1 for H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for I read from file: /users/gautes/Pseudo/I.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 7c65668ffc3f6431347fa26e98076fd5 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1247 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential H 1.00 1.00790 H( 1.00) I 7.00 126.90450 I( 1.00) Si 4.00 28.08550 Si( 1.00) 2 Sym. Ops., with inversion, found (note: 2 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 200 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0050000 k( 2) = ( 0.0000000 0.0000000 0.0256129), wk = 0.0050000 k( 3) = ( 0.0000000 0.0000000 0.0512257), wk = 0.0050000 k( 4) = ( 0.0000000 0.0000000 0.0768386), wk = 0.0050000 k( 5) = ( 0.0000000 0.0000000 0.1024514), wk = 0.0050000 k( 6) = ( 0.0000000 0.0000000 0.1280643), wk = 0.0050000 k( 7) = ( 0.0000000 0.0000000 0.1536771), wk = 0.0050000 k( 8) = ( 0.0000000 0.0000000 0.1792900), wk = 0.0050000 k( 9) = ( 0.0000000 0.0000000 0.2049028), wk = 0.0050000 k( 10) = ( 0.0000000 0.0000000 0.2305157), wk = 0.0050000 k( 11) = ( 0.0000000 0.0000000 0.2561285), wk = 0.0050000 k( 12) = ( 0.0000000 0.0000000 0.2817414), wk = 0.0050000 k( 13) = ( 0.0000000 0.0000000 0.3073542), wk = 0.0050000 k( 14) = ( 0.0000000 0.0000000 0.3329671), wk = 0.0050000 k( 15) = ( 0.0000000 0.0000000 0.3585799), wk = 0.0050000 k( 16) = ( 0.0000000 0.0000000 0.3841928), wk = 0.0050000 k( 17) = ( 0.0000000 0.0000000 0.4098057), wk = 0.0050000 k( 18) = ( 0.0000000 0.0000000 0.4098057), wk = 0.0050000 k( 19) = ( 0.0000000 0.0264641 0.4098057), wk = 0.0050000 k( 20) = ( 0.0000000 0.0529282 0.4098057), wk = 0.0050000 k( 21) = ( 0.0000000 0.0793923 0.4098057), wk = 0.0050000 k( 22) = ( 0.0000000 0.1058564 0.4098057), wk = 0.0050000 k( 23) = ( 0.0000000 0.1323205 0.4098057), wk = 0.0050000 k( 24) = ( 0.0000000 0.1587847 0.4098057), wk = 0.0050000 k( 25) = ( 0.0000000 0.1852488 0.4098057), wk = 0.0050000 k( 26) = ( 0.0000000 0.2117129 0.4098057), wk = 0.0050000 k( 27) = ( 0.0000000 0.2381770 0.4098057), wk = 0.0050000 k( 28) = ( 0.0000000 0.2646411 0.4098057), wk = 0.0050000 k( 29) = ( 0.0000000 0.2911052 0.4098057), wk = 0.0050000 k( 30) = ( 0.0000000 0.3175693 0.4098057), wk = 0.0050000 k( 31) = ( 0.0000000 0.3440334 0.4098057), wk = 0.0050000 k( 32) = ( 0.0000000 0.3704975 0.4098057), wk = 0.0050000 k( 33) = ( 0.0000000 0.3969616 0.4098057), wk = 0.0050000 k( 34) = ( 0.0000000 0.4234258 0.4098057), wk = 0.0050000 k( 35) = ( 0.0000000 0.4498899 0.4098057), wk = 0.0050000 k( 36) = ( 0.0000000 0.4763540 0.4098057), wk = 0.0050000 k( 37) = ( 0.0000000 0.5028181 0.4098057), wk = 0.0050000 k( 38) = ( 0.0000000 0.5292822 0.4098057), wk = 0.0050000 k( 39) = ( 0.0000000 0.5557463 0.4098057), wk = 0.0050000 k( 40) = ( 0.0000000 0.5822104 0.4098057), wk = 0.0050000 k( 41) = ( 0.0000000 0.6086745 0.4098057), wk = 0.0050000 k( 42) = ( 0.0000000 0.6351386 0.4098057), wk = 0.0050000 k( 43) = ( 0.0000000 0.6616027 0.4098057), wk = 0.0050000 k( 44) = ( 0.0000000 0.6880668 0.4098057), wk = 0.0050000 k( 45) = ( 0.0000000 0.7145310 0.4098057), wk = 0.0050000 k( 46) = ( 0.0000000 0.7409951 0.4098057), wk = 0.0050000 k( 47) = ( 0.0000000 0.7674592 0.4098057), wk = 0.0050000 k( 48) = ( 0.0000000 0.7939233 0.4098057), wk = 0.0050000 k( 49) = ( 0.0000000 0.8203874 0.4098057), wk = 0.0050000 k( 50) = ( 0.0000000 0.8468515 0.4098057), wk = 0.0050000 k( 51) = ( 0.0000000 0.8733156 0.4098057), wk = 0.0050000 k( 52) = ( 0.0000000 0.8733156 0.4098057), wk = 0.0050000 k( 53) = ( 0.0000000 0.8783815 0.3859896), wk = 0.0050000 k( 54) = ( 0.0000000 0.8834474 0.3621736), wk = 0.0050000 k( 55) = ( 0.0000000 0.8885134 0.3383576), wk = 0.0050000 k( 56) = ( 0.0000000 0.8935793 0.3145416), wk = 0.0050000 k( 57) = ( 0.0000000 0.8986452 0.2907256), wk = 0.0050000 k( 58) = ( 0.0000000 0.9037111 0.2669096), wk = 0.0050000 k( 59) = ( 0.0000000 0.9087770 0.2430936), wk = 0.0050000 k( 60) = ( 0.0000000 0.9138429 0.2192776), wk = 0.0050000 k( 61) = ( 0.0000000 0.9189089 0.1954616), wk = 0.0050000 k( 62) = ( 0.0000000 0.9189089 0.1954616), wk = 0.0050000 k( 63) = ( 0.0263158 0.9189089 0.1954616), wk = 0.0050000 k( 64) = ( 0.0526316 0.9189089 0.1954616), wk = 0.0050000 k( 65) = ( 0.0789474 0.9189089 0.1954616), wk = 0.0050000 k( 66) = ( 0.1052632 0.9189089 0.1954616), wk = 0.0050000 k( 67) = ( 0.1315790 0.9189089 0.1954616), wk = 0.0050000 k( 68) = ( 0.1578947 0.9189089 0.1954616), wk = 0.0050000 k( 69) = ( 0.1842105 0.9189089 0.1954616), wk = 0.0050000 k( 70) = ( 0.2105263 0.9189089 0.1954616), wk = 0.0050000 k( 71) = ( 0.2368421 0.9189089 0.1954616), wk = 0.0050000 k( 72) = ( 0.2631579 0.9189089 0.1954616), wk = 0.0050000 k( 73) = ( 0.2894737 0.9189089 0.1954616), wk = 0.0050000 k( 74) = ( 0.3157895 0.9189089 0.1954616), wk = 0.0050000 k( 75) = ( 0.3421053 0.9189089 0.1954616), wk = 0.0050000 k( 76) = ( 0.3684211 0.9189089 0.1954616), wk = 0.0050000 k( 77) = ( 0.3947368 0.9189089 0.1954616), wk = 0.0050000 k( 78) = ( 0.4210526 0.9189089 0.1954616), wk = 0.0050000 k( 79) = ( 0.4473684 0.9189089 0.1954616), wk = 0.0050000 k( 80) = ( 0.4736842 0.9189089 0.1954616), wk = 0.0050000 k( 81) = ( 0.5000000 0.9189089 0.1954616), wk = 0.0050000 k( 82) = ( 0.5000000 0.9189089 0.1954616), wk = 0.0050000 k( 83) = ( 0.5000000 0.9239748 0.1716456), wk = 0.0050000 k( 84) = ( 0.5000000 0.9290407 0.1478296), wk = 0.0050000 k( 85) = ( 0.5000000 0.9341066 0.1240136), wk = 0.0050000 k( 86) = ( 0.5000000 0.9391725 0.1001976), wk = 0.0050000 k( 87) = ( 0.5000000 0.9442384 0.0763816), wk = 0.0050000 k( 88) = ( 0.5000000 0.9493044 0.0525656), wk = 0.0050000 k( 89) = ( 0.5000000 0.9543703 0.0287496), wk = 0.0050000 k( 90) = ( 0.5000000 0.9594362 0.0049336), wk = 0.0050000 k( 91) = ( 0.5000000 0.9645021 -0.0188824), wk = 0.0050000 k( 92) = ( 0.5000000 0.9645021 -0.0188824), wk = 0.0050000 k( 93) = ( 0.5000000 0.9588029 -0.0433151), wk = 0.0050000 k( 94) = ( 0.5000000 0.9531038 -0.0677478), wk = 0.0050000 k( 95) = ( 0.5000000 0.9474046 -0.0921805), wk = 0.0050000 k( 96) = ( 0.5000000 0.9417055 -0.1166132), wk = 0.0050000 k( 97) = ( 0.5000000 0.9360063 -0.1410459), wk = 0.0050000 k( 98) = ( 0.5000000 0.9303072 -0.1654786), wk = 0.0050000 k( 99) = ( 0.5000000 0.9246080 -0.1899113), wk = 0.0050000 k( 100) = ( 0.5000000 0.9189089 -0.2143440), wk = 0.0050000 k( 101) = ( 0.5000000 0.9189089 -0.2143440), wk = 0.0050000 k( 102) = ( 0.4736842 0.9189089 -0.2143440), wk = 0.0050000 k( 103) = ( 0.4473684 0.9189089 -0.2143440), wk = 0.0050000 k( 104) = ( 0.4210526 0.9189089 -0.2143440), wk = 0.0050000 k( 105) = ( 0.3947368 0.9189089 -0.2143440), wk = 0.0050000 k( 106) = ( 0.3684211 0.9189089 -0.2143440), wk = 0.0050000 k( 107) = ( 0.3421053 0.9189089 -0.2143440), wk = 0.0050000 k( 108) = ( 0.3157895 0.9189089 -0.2143440), wk = 0.0050000 k( 109) = ( 0.2894737 0.9189089 -0.2143440), wk = 0.0050000 k( 110) = ( 0.2631579 0.9189089 -0.2143440), wk = 0.0050000 k( 111) = ( 0.2368421 0.9189089 -0.2143440), wk = 0.0050000 k( 112) = ( 0.2105263 0.9189089 -0.2143440), wk = 0.0050000 k( 113) = ( 0.1842105 0.9189089 -0.2143440), wk = 0.0050000 k( 114) = ( 0.1578947 0.9189089 -0.2143440), wk = 0.0050000 k( 115) = ( 0.1315790 0.9189089 -0.2143440), wk = 0.0050000 k( 116) = ( 0.1052632 0.9189089 -0.2143440), wk = 0.0050000 k( 117) = ( 0.0789474 0.9189089 -0.2143440), wk = 0.0050000 k( 118) = ( 0.0526316 0.9189089 -0.2143440), wk = 0.0050000 k( 119) = ( 0.0263158 0.9189089 -0.2143440), wk = 0.0050000 k( 120) = ( 0.0000000 0.9189089 -0.2143440), wk = 0.0050000 k( 121) = ( 0.0000000 0.9189089 -0.2143440), wk = 0.0050000 k( 122) = ( 0.0000000 0.9246080 -0.1899113), wk = 0.0050000 k( 123) = ( 0.0000000 0.9303072 -0.1654786), wk = 0.0050000 k( 124) = ( 0.0000000 0.9360063 -0.1410459), wk = 0.0050000 k( 125) = ( 0.0000000 0.9417055 -0.1166132), wk = 0.0050000 k( 126) = ( 0.0000000 0.9474046 -0.0921805), wk = 0.0050000 k( 127) = ( 0.0000000 0.9531038 -0.0677478), wk = 0.0050000 k( 128) = ( 0.0000000 0.9588029 -0.0433151), wk = 0.0050000 k( 129) = ( 0.0000000 0.9645021 -0.0188824), wk = 0.0050000 k( 130) = ( 0.5000000 0.8733156 0.4098057), wk = 0.0050000 k( 131) = ( 0.5000000 0.8468515 0.4098057), wk = 0.0050000 k( 132) = ( 0.5000000 0.8203874 0.4098057), wk = 0.0050000 k( 133) = ( 0.5000000 0.7939233 0.4098057), wk = 0.0050000 k( 134) = ( 0.5000000 0.7674592 0.4098057), wk = 0.0050000 k( 135) = ( 0.5000000 0.7409951 0.4098057), wk = 0.0050000 k( 136) = ( 0.5000000 0.7145310 0.4098057), wk = 0.0050000 k( 137) = ( 0.5000000 0.6880668 0.4098057), wk = 0.0050000 k( 138) = ( 0.5000000 0.6616027 0.4098057), wk = 0.0050000 k( 139) = ( 0.5000000 0.6351386 0.4098057), wk = 0.0050000 k( 140) = ( 0.5000000 0.6086745 0.4098057), wk = 0.0050000 k( 141) = ( 0.5000000 0.5822104 0.4098057), wk = 0.0050000 k( 142) = ( 0.5000000 0.5557463 0.4098057), wk = 0.0050000 k( 143) = ( 0.5000000 0.5292822 0.4098057), wk = 0.0050000 k( 144) = ( 0.5000000 0.5028181 0.4098057), wk = 0.0050000 k( 145) = ( 0.5000000 0.4763540 0.4098057), wk = 0.0050000 k( 146) = ( 0.5000000 0.4498899 0.4098057), wk = 0.0050000 k( 147) = ( 0.5000000 0.4234258 0.4098057), wk = 0.0050000 k( 148) = ( 0.5000000 0.3969616 0.4098057), wk = 0.0050000 k( 149) = ( 0.5000000 0.3704975 0.4098057), wk = 0.0050000 k( 150) = ( 0.5000000 0.3440334 0.4098057), wk = 0.0050000 k( 151) = ( 0.5000000 0.3175693 0.4098057), wk = 0.0050000 k( 152) = ( 0.5000000 0.2911052 0.4098057), wk = 0.0050000 k( 153) = ( 0.5000000 0.2646411 0.4098057), wk = 0.0050000 k( 154) = ( 0.5000000 0.2381770 0.4098057), wk = 0.0050000 k( 155) = ( 0.5000000 0.2117129 0.4098057), wk = 0.0050000 k( 156) = ( 0.5000000 0.1852488 0.4098057), wk = 0.0050000 k( 157) = ( 0.5000000 0.1587847 0.4098057), wk = 0.0050000 k( 158) = ( 0.5000000 0.1323205 0.4098057), wk = 0.0050000 k( 159) = ( 0.5000000 0.1058564 0.4098057), wk = 0.0050000 k( 160) = ( 0.5000000 0.0793923 0.4098057), wk = 0.0050000 k( 161) = ( 0.5000000 0.0529282 0.4098057), wk = 0.0050000 k( 162) = ( 0.5000000 0.0264641 0.4098057), wk = 0.0050000 k( 163) = ( 0.5000000 -0.0000000 0.4098057), wk = 0.0050000 k( 164) = ( 0.5000000 -0.0000000 0.4098057), wk = 0.0050000 k( 165) = ( 0.5000000 -0.0000000 0.3841928), wk = 0.0050000 k( 166) = ( 0.5000000 -0.0000000 0.3585799), wk = 0.0050000 k( 167) = ( 0.5000000 -0.0000000 0.3329671), wk = 0.0050000 k( 168) = ( 0.5000000 -0.0000000 0.3073542), wk = 0.0050000 k( 169) = ( 0.5000000 -0.0000000 0.2817414), wk = 0.0050000 k( 170) = ( 0.5000000 -0.0000000 0.2561285), wk = 0.0050000 k( 171) = ( 0.5000000 -0.0000000 0.2305157), wk = 0.0050000 k( 172) = ( 0.5000000 -0.0000000 0.2049028), wk = 0.0050000 k( 173) = ( 0.5000000 -0.0000000 0.1792900), wk = 0.0050000 k( 174) = ( 0.5000000 -0.0000000 0.1536771), wk = 0.0050000 k( 175) = ( 0.5000000 -0.0000000 0.1280643), wk = 0.0050000 k( 176) = ( 0.5000000 -0.0000000 0.1024514), wk = 0.0050000 k( 177) = ( 0.5000000 -0.0000000 0.0768386), wk = 0.0050000 k( 178) = ( 0.5000000 -0.0000000 0.0512257), wk = 0.0050000 k( 179) = ( 0.5000000 -0.0000000 0.0256129), wk = 0.0050000 k( 180) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0050000 k( 181) = ( 0.0000000 0.0000000 0.4098057), wk = 0.0050000 k( 182) = ( 0.0263158 -0.0000000 0.4098057), wk = 0.0050000 k( 183) = ( 0.0526316 -0.0000000 0.4098057), wk = 0.0050000 k( 184) = ( 0.0789474 -0.0000000 0.4098057), wk = 0.0050000 k( 185) = ( 0.1052632 -0.0000000 0.4098057), wk = 0.0050000 k( 186) = ( 0.1315790 -0.0000000 0.4098057), wk = 0.0050000 k( 187) = ( 0.1578947 -0.0000000 0.4098057), wk = 0.0050000 k( 188) = ( 0.1842105 -0.0000000 0.4098057), wk = 0.0050000 k( 189) = ( 0.2105263 -0.0000000 0.4098057), wk = 0.0050000 k( 190) = ( 0.2368421 -0.0000000 0.4098057), wk = 0.0050000 k( 191) = ( 0.2631579 -0.0000000 0.4098057), wk = 0.0050000 k( 192) = ( 0.2894737 -0.0000000 0.4098057), wk = 0.0050000 k( 193) = ( 0.3157895 -0.0000000 0.4098057), wk = 0.0050000 k( 194) = ( 0.3421053 -0.0000000 0.4098057), wk = 0.0050000 k( 195) = ( 0.3684211 -0.0000000 0.4098057), wk = 0.0050000 k( 196) = ( 0.3947368 -0.0000000 0.4098057), wk = 0.0050000 k( 197) = ( 0.4210526 -0.0000000 0.4098057), wk = 0.0050000 k( 198) = ( 0.4473684 -0.0000000 0.4098057), wk = 0.0050000 k( 199) = ( 0.4736842 -0.0000000 0.4098057), wk = 0.0050000 k( 200) = ( 0.5000000 -0.0000000 0.4098057), wk = 0.0050000 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0050000 k( 2) = ( 0.0000000 0.0000000 0.0312500), wk = 0.0050000 k( 3) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0050000 k( 4) = ( 0.0000000 0.0000000 0.0937500), wk = 0.0050000 k( 5) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0050000 k( 6) = ( 0.0000000 0.0000000 0.1562500), wk = 0.0050000 k( 7) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0050000 k( 8) = ( 0.0000000 0.0000000 0.2187500), wk = 0.0050000 k( 9) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0050000 k( 10) = ( 0.0000000 0.0000000 0.2812500), wk = 0.0050000 k( 11) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0050000 k( 12) = ( 0.0000000 0.0000000 0.3437500), wk = 0.0050000 k( 13) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0050000 k( 14) = ( 0.0000000 0.0000000 0.4062500), wk = 0.0050000 k( 15) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0050000 k( 16) = ( 0.0000000 0.0000000 0.4687500), wk = 0.0050000 k( 17) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0050000 k( 18) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0050000 k( 19) = ( 0.0000000 0.0143997 0.5075316), wk = 0.0050000 k( 20) = ( 0.0000000 0.0287995 0.5150632), wk = 0.0050000 k( 21) = ( 0.0000000 0.0431992 0.5225949), wk = 0.0050000 k( 22) = ( 0.0000000 0.0575990 0.5301265), wk = 0.0050000 k( 23) = ( 0.0000000 0.0719987 0.5376581), wk = 0.0050000 k( 24) = ( 0.0000000 0.0863985 0.5451897), wk = 0.0050000 k( 25) = ( 0.0000000 0.1007982 0.5527213), wk = 0.0050000 k( 26) = ( 0.0000000 0.1151980 0.5602529), wk = 0.0050000 k( 27) = ( 0.0000000 0.1295977 0.5677846), wk = 0.0050000 k( 28) = ( 0.0000000 0.1439975 0.5753162), wk = 0.0050000 k( 29) = ( 0.0000000 0.1583972 0.5828478), wk = 0.0050000 k( 30) = ( 0.0000000 0.1727970 0.5903794), wk = 0.0050000 k( 31) = ( 0.0000000 0.1871967 0.5979110), wk = 0.0050000 k( 32) = ( 0.0000000 0.2015964 0.6054427), wk = 0.0050000 k( 33) = ( 0.0000000 0.2159962 0.6129743), wk = 0.0050000 k( 34) = ( 0.0000000 0.2303959 0.6205059), wk = 0.0050000 k( 35) = ( 0.0000000 0.2447957 0.6280375), wk = 0.0050000 k( 36) = ( 0.0000000 0.2591954 0.6355691), wk = 0.0050000 k( 37) = ( 0.0000000 0.2735952 0.6431008), wk = 0.0050000 k( 38) = ( 0.0000000 0.2879949 0.6506324), wk = 0.0050000 k( 39) = ( 0.0000000 0.3023947 0.6581640), wk = 0.0050000 k( 40) = ( 0.0000000 0.3167944 0.6656956), wk = 0.0050000 k( 41) = ( 0.0000000 0.3311942 0.6732272), wk = 0.0050000 k( 42) = ( 0.0000000 0.3455939 0.6807589), wk = 0.0050000 k( 43) = ( 0.0000000 0.3599937 0.6882905), wk = 0.0050000 k( 44) = ( 0.0000000 0.3743934 0.6958221), wk = 0.0050000 k( 45) = ( 0.0000000 0.3887932 0.7033537), wk = 0.0050000 k( 46) = ( 0.0000000 0.4031929 0.7108853), wk = 0.0050000 k( 47) = ( 0.0000000 0.4175927 0.7184169), wk = 0.0050000 k( 48) = ( 0.0000000 0.4319924 0.7259486), wk = 0.0050000 k( 49) = ( 0.0000000 0.4463921 0.7334802), wk = 0.0050000 k( 50) = ( 0.0000000 0.4607919 0.7410118), wk = 0.0050000 k( 51) = ( 0.0000000 0.4751916 0.7485434), wk = 0.0050000 k( 52) = ( 0.0000000 0.4751916 0.7485434), wk = 0.0050000 k( 53) = ( 0.0000000 0.4779481 0.7209275), wk = 0.0050000 k( 54) = ( 0.0000000 0.4807046 0.6933115), wk = 0.0050000 k( 55) = ( 0.0000000 0.4834611 0.6656956), wk = 0.0050000 k( 56) = ( 0.0000000 0.4862176 0.6380797), wk = 0.0050000 k( 57) = ( 0.0000000 0.4889741 0.6104637), wk = 0.0050000 k( 58) = ( 0.0000000 0.4917305 0.5828478), wk = 0.0050000 k( 59) = ( 0.0000000 0.4944870 0.5552319), wk = 0.0050000 k( 60) = ( 0.0000000 0.4972435 0.5276159), wk = 0.0050000 k( 61) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0050000 k( 62) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0050000 k( 63) = ( 0.0263158 0.5000000 0.5000000), wk = 0.0050000 k( 64) = ( 0.0526316 0.5000000 0.5000000), wk = 0.0050000 k( 65) = ( 0.0789474 0.5000000 0.5000000), wk = 0.0050000 k( 66) = ( 0.1052632 0.5000000 0.5000000), wk = 0.0050000 k( 67) = ( 0.1315790 0.5000000 0.5000000), wk = 0.0050000 k( 68) = ( 0.1578947 0.5000000 0.5000000), wk = 0.0050000 k( 69) = ( 0.1842105 0.5000000 0.5000000), wk = 0.0050000 k( 70) = ( 0.2105263 0.5000000 0.5000000), wk = 0.0050000 k( 71) = ( 0.2368421 0.5000000 0.5000000), wk = 0.0050000 k( 72) = ( 0.2631579 0.5000000 0.5000000), wk = 0.0050000 k( 73) = ( 0.2894737 0.5000000 0.5000000), wk = 0.0050000 k( 74) = ( 0.3157895 0.5000000 0.5000000), wk = 0.0050000 k( 75) = ( 0.3421053 0.5000000 0.5000000), wk = 0.0050000 k( 76) = ( 0.3684211 0.5000000 0.5000000), wk = 0.0050000 k( 77) = ( 0.3947368 0.5000000 0.5000000), wk = 0.0050000 k( 78) = ( 0.4210526 0.5000000 0.5000000), wk = 0.0050000 k( 79) = ( 0.4473684 0.5000000 0.5000000), wk = 0.0050000 k( 80) = ( 0.4736842 0.5000000 0.5000000), wk = 0.0050000 k( 81) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0050000 k( 82) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0050000 k( 83) = ( 0.5000000 0.5027565 0.4723841), wk = 0.0050000 k( 84) = ( 0.5000000 0.5055130 0.4447681), wk = 0.0050000 k( 85) = ( 0.5000000 0.5082694 0.4171522), wk = 0.0050000 k( 86) = ( 0.5000000 0.5110259 0.3895363), wk = 0.0050000 k( 87) = ( 0.5000000 0.5137824 0.3619203), wk = 0.0050000 k( 88) = ( 0.5000000 0.5165389 0.3343044), wk = 0.0050000 k( 89) = ( 0.5000000 0.5192954 0.3066885), wk = 0.0050000 k( 90) = ( 0.5000000 0.5220519 0.2790725), wk = 0.0050000 k( 91) = ( 0.5000000 0.5248084 0.2514566), wk = 0.0050000 k( 92) = ( 0.5000000 0.5248084 0.2514566), wk = 0.0050000 k( 93) = ( 0.5000000 0.5217073 0.2200245), wk = 0.0050000 k( 94) = ( 0.5000000 0.5186063 0.1885924), wk = 0.0050000 k( 95) = ( 0.5000000 0.5155052 0.1571604), wk = 0.0050000 k( 96) = ( 0.5000000 0.5124042 0.1257283), wk = 0.0050000 k( 97) = ( 0.5000000 0.5093031 0.0942962), wk = 0.0050000 k( 98) = ( 0.5000000 0.5062021 0.0628642), wk = 0.0050000 k( 99) = ( 0.5000000 0.5031010 0.0314321), wk = 0.0050000 k( 100) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0050000 k( 101) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0050000 k( 102) = ( 0.4736842 0.5000000 -0.0000000), wk = 0.0050000 k( 103) = ( 0.4473684 0.5000000 -0.0000000), wk = 0.0050000 k( 104) = ( 0.4210526 0.5000000 -0.0000000), wk = 0.0050000 k( 105) = ( 0.3947368 0.5000000 -0.0000000), wk = 0.0050000 k( 106) = ( 0.3684211 0.5000000 -0.0000000), wk = 0.0050000 k( 107) = ( 0.3421053 0.5000000 -0.0000000), wk = 0.0050000 k( 108) = ( 0.3157895 0.5000000 -0.0000000), wk = 0.0050000 k( 109) = ( 0.2894737 0.5000000 -0.0000000), wk = 0.0050000 k( 110) = ( 0.2631579 0.5000000 -0.0000000), wk = 0.0050000 k( 111) = ( 0.2368421 0.5000000 -0.0000000), wk = 0.0050000 k( 112) = ( 0.2105263 0.5000000 -0.0000000), wk = 0.0050000 k( 113) = ( 0.1842105 0.5000000 -0.0000000), wk = 0.0050000 k( 114) = ( 0.1578947 0.5000000 -0.0000000), wk = 0.0050000 k( 115) = ( 0.1315790 0.5000000 -0.0000000), wk = 0.0050000 k( 116) = ( 0.1052632 0.5000000 -0.0000000), wk = 0.0050000 k( 117) = ( 0.0789474 0.5000000 -0.0000000), wk = 0.0050000 k( 118) = ( 0.0526316 0.5000000 -0.0000000), wk = 0.0050000 k( 119) = ( 0.0263158 0.5000000 -0.0000000), wk = 0.0050000 k( 120) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0050000 k( 121) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0050000 k( 122) = ( 0.0000000 0.5031010 0.0314321), wk = 0.0050000 k( 123) = ( 0.0000000 0.5062021 0.0628641), wk = 0.0050000 k( 124) = ( 0.0000000 0.5093031 0.0942962), wk = 0.0050000 k( 125) = ( 0.0000000 0.5124042 0.1257283), wk = 0.0050000 k( 126) = ( 0.0000000 0.5155052 0.1571604), wk = 0.0050000 k( 127) = ( 0.0000000 0.5186063 0.1885924), wk = 0.0050000 k( 128) = ( 0.0000000 0.5217073 0.2200245), wk = 0.0050000 k( 129) = ( 0.0000000 0.5248084 0.2514566), wk = 0.0050000 k( 130) = ( 0.5000000 0.4751916 0.7485434), wk = 0.0050000 k( 131) = ( 0.5000000 0.4607919 0.7410118), wk = 0.0050000 k( 132) = ( 0.5000000 0.4463921 0.7334802), wk = 0.0050000 k( 133) = ( 0.5000000 0.4319924 0.7259486), wk = 0.0050000 k( 134) = ( 0.5000000 0.4175927 0.7184169), wk = 0.0050000 k( 135) = ( 0.5000000 0.4031929 0.7108853), wk = 0.0050000 k( 136) = ( 0.5000000 0.3887932 0.7033537), wk = 0.0050000 k( 137) = ( 0.5000000 0.3743934 0.6958221), wk = 0.0050000 k( 138) = ( 0.5000000 0.3599937 0.6882905), wk = 0.0050000 k( 139) = ( 0.5000000 0.3455939 0.6807589), wk = 0.0050000 k( 140) = ( 0.5000000 0.3311942 0.6732272), wk = 0.0050000 k( 141) = ( 0.5000000 0.3167944 0.6656956), wk = 0.0050000 k( 142) = ( 0.5000000 0.3023947 0.6581640), wk = 0.0050000 k( 143) = ( 0.5000000 0.2879949 0.6506324), wk = 0.0050000 k( 144) = ( 0.5000000 0.2735952 0.6431008), wk = 0.0050000 k( 145) = ( 0.5000000 0.2591954 0.6355691), wk = 0.0050000 k( 146) = ( 0.5000000 0.2447957 0.6280375), wk = 0.0050000 k( 147) = ( 0.5000000 0.2303959 0.6205059), wk = 0.0050000 k( 148) = ( 0.5000000 0.2159962 0.6129743), wk = 0.0050000 k( 149) = ( 0.5000000 0.2015964 0.6054427), wk = 0.0050000 k( 150) = ( 0.5000000 0.1871967 0.5979110), wk = 0.0050000 k( 151) = ( 0.5000000 0.1727970 0.5903794), wk = 0.0050000 k( 152) = ( 0.5000000 0.1583972 0.5828478), wk = 0.0050000 k( 153) = ( 0.5000000 0.1439975 0.5753162), wk = 0.0050000 k( 154) = ( 0.5000000 0.1295977 0.5677846), wk = 0.0050000 k( 155) = ( 0.5000000 0.1151980 0.5602529), wk = 0.0050000 k( 156) = ( 0.5000000 0.1007982 0.5527213), wk = 0.0050000 k( 157) = ( 0.5000000 0.0863985 0.5451897), wk = 0.0050000 k( 158) = ( 0.5000000 0.0719987 0.5376581), wk = 0.0050000 k( 159) = ( 0.5000000 0.0575990 0.5301265), wk = 0.0050000 k( 160) = ( 0.5000000 0.0431992 0.5225949), wk = 0.0050000 k( 161) = ( 0.5000000 0.0287995 0.5150632), wk = 0.0050000 k( 162) = ( 0.5000000 0.0143997 0.5075316), wk = 0.0050000 k( 163) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0050000 k( 164) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0050000 k( 165) = ( 0.5000000 0.0000000 0.4687500), wk = 0.0050000 k( 166) = ( 0.5000000 0.0000000 0.4375000), wk = 0.0050000 k( 167) = ( 0.5000000 0.0000000 0.4062500), wk = 0.0050000 k( 168) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0050000 k( 169) = ( 0.5000000 0.0000000 0.3437500), wk = 0.0050000 k( 170) = ( 0.5000000 0.0000000 0.3125000), wk = 0.0050000 k( 171) = ( 0.5000000 0.0000000 0.2812500), wk = 0.0050000 k( 172) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0050000 k( 173) = ( 0.5000000 0.0000000 0.2187500), wk = 0.0050000 k( 174) = ( 0.5000000 0.0000000 0.1875000), wk = 0.0050000 k( 175) = ( 0.5000000 0.0000000 0.1562500), wk = 0.0050000 k( 176) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0050000 k( 177) = ( 0.5000000 0.0000000 0.0937500), wk = 0.0050000 k( 178) = ( 0.5000000 0.0000000 0.0625000), wk = 0.0050000 k( 179) = ( 0.5000000 0.0000000 0.0312500), wk = 0.0050000 k( 180) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0050000 k( 181) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0050000 k( 182) = ( 0.0263158 0.0000000 0.5000000), wk = 0.0050000 k( 183) = ( 0.0526316 0.0000000 0.5000000), wk = 0.0050000 k( 184) = ( 0.0789474 0.0000000 0.5000000), wk = 0.0050000 k( 185) = ( 0.1052632 0.0000000 0.5000000), wk = 0.0050000 k( 186) = ( 0.1315790 0.0000000 0.5000000), wk = 0.0050000 k( 187) = ( 0.1578947 0.0000000 0.5000000), wk = 0.0050000 k( 188) = ( 0.1842105 0.0000000 0.5000000), wk = 0.0050000 k( 189) = ( 0.2105263 0.0000000 0.5000000), wk = 0.0050000 k( 190) = ( 0.2368421 0.0000000 0.5000000), wk = 0.0050000 k( 191) = ( 0.2631579 0.0000000 0.5000000), wk = 0.0050000 k( 192) = ( 0.2894737 0.0000000 0.5000000), wk = 0.0050000 k( 193) = ( 0.3157895 0.0000000 0.5000000), wk = 0.0050000 k( 194) = ( 0.3421053 0.0000000 0.5000000), wk = 0.0050000 k( 195) = ( 0.3684211 0.0000000 0.5000000), wk = 0.0050000 k( 196) = ( 0.3947368 0.0000000 0.5000000), wk = 0.0050000 k( 197) = ( 0.4210526 0.0000000 0.5000000), wk = 0.0050000 k( 198) = ( 0.4473684 0.0000000 0.5000000), wk = 0.0050000 k( 199) = ( 0.4736842 0.0000000 0.5000000), wk = 0.0050000 k( 200) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0050000 Dense grid: 147629 G-vectors FFT dimensions: ( 75, 45, 96) Smooth grid: 111427 G-vectors FFT dimensions: ( 72, 40, 90) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.42 Mb ( 400, 68) NL pseudopotentials 0.90 Mb ( 200, 296) Each V/rho on FFT grid 0.10 Mb ( 6750) Each G-vector array 0.02 Mb ( 2048) G-vector shells 0.01 Mb ( 1914) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.66 Mb ( 400, 272) Each subspace H/S matrix 0.03 Mb ( 45, 45) Each matrix 0.61 Mb ( 296, 2, 68) The potential is recalculated from file : ./SiH3I.save/charge-density.dat Starting wfc are 88 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.3 secs Computing kpt #: 2 total cpu time spent up to now is 6.3 secs Computing kpt #: 3 total cpu time spent up to now is 8.5 secs Computing kpt #: 4 total cpu time spent up to now is 10.7 secs Computing kpt #: 5 total cpu time spent up to now is 12.7 secs Computing kpt #: 6 total cpu time spent up to now is 15.1 secs Computing kpt #: 7 total cpu time spent up to now is 17.3 secs Computing kpt #: 8 total cpu time spent up to now is 19.4 secs Computing kpt #: 9 total cpu time spent up to now is 21.5 secs Computing kpt #: 10 total cpu time spent up to now is 23.6 secs Computing kpt #: 11 total cpu time spent up to now is 25.6 secs Computing kpt #: 12 total cpu time spent up to now is 27.6 secs Computing kpt #: 13 total cpu time spent up to now is 29.6 secs Computing kpt #: 14 total cpu time spent up to now is 31.6 secs Computing kpt #: 15 total cpu time spent up to now is 33.5 secs Computing kpt #: 16 total cpu time spent up to now is 35.5 secs Computing kpt #: 17 total cpu time spent up to now is 37.4 secs Computing kpt #: 18 total cpu time spent up to now is 39.3 secs Computing kpt #: 19 total cpu time spent up to now is 41.1 secs Computing kpt #: 20 total cpu time spent up to now is 43.0 secs Computing kpt #: 21 total cpu time spent up to now is 45.1 secs Computing kpt #: 22 total cpu time spent up to now is 47.1 secs Computing kpt #: 23 total cpu time spent up to now is 49.0 secs Computing kpt #: 24 total cpu time spent up to now is 51.0 secs Computing kpt #: 25 total cpu time spent up to now is 53.0 secs Computing kpt #: 26 total cpu time spent up to now is 55.0 secs Computing kpt #: 27 total cpu time spent up to now is 57.1 secs Computing kpt #: 28 total cpu time spent up to now is 59.3 secs Computing kpt #: 29 total cpu time spent up to now is 61.3 secs Computing kpt #: 30 total cpu time spent up to now is 63.1 secs Computing kpt #: 31 total cpu time spent up to now is 65.0 secs Computing kpt #: 32 total cpu time spent up to now is 66.8 secs Computing kpt #: 33 total cpu time spent up to now is 68.7 secs Computing kpt #: 34 total cpu time spent up to now is 70.5 secs Computing kpt #: 35 total cpu time spent up to now is 72.4 secs Computing kpt #: 36 total cpu time spent up to now is 74.2 secs Computing kpt #: 37 total cpu time spent up to now is 76.0 secs Computing kpt #: 38 total cpu time spent up to now is 77.9 secs Computing kpt #: 39 total cpu time spent up to now is 79.7 secs Computing kpt #: 40 total cpu time spent up to now is 81.5 secs Computing kpt #: 41 total cpu time spent up to now is 83.1 secs Computing kpt #: 42 total cpu time spent up to now is 84.9 secs Computing kpt #: 43 total cpu time spent up to now is 86.6 secs Computing kpt #: 44 total cpu time spent up to now is 88.5 secs Computing kpt #: 45 total cpu time spent up to now is 90.5 secs Computing kpt #: 46 total cpu time spent up to now is 92.6 secs Computing kpt #: 47 total cpu time spent up to now is 94.6 secs Computing kpt #: 48 total cpu time spent up to now is 96.7 secs Computing kpt #: 49 total cpu time spent up to now is 98.9 secs Computing kpt #: 50 total cpu time spent up to now is 100.9 secs Computing kpt #: 51 total cpu time spent up to now is 102.9 secs Computing kpt #: 52 total cpu time spent up to now is 105.0 secs Computing kpt #: 53 total cpu time spent up to now is 107.1 secs Computing kpt #: 54 total cpu time spent up to now is 109.2 secs Computing kpt #: 55 total cpu time spent up to now is 111.3 secs Computing kpt #: 56 total cpu time spent up to now is 113.4 secs Computing kpt #: 57 total cpu time spent up to now is 115.4 secs Computing kpt #: 58 total cpu time spent up to now is 117.5 secs Computing kpt #: 59 total cpu time spent up to now is 119.6 secs Computing kpt #: 60 total cpu time spent up to now is 121.7 secs Computing kpt #: 61 total cpu time spent up to now is 123.7 secs Computing kpt #: 62 total cpu time spent up to now is 125.6 secs Computing kpt #: 63 total cpu time spent up to now is 127.7 secs Computing kpt #: 64 total cpu time spent up to now is 129.6 secs Computing kpt #: 65 total cpu time spent up to now is 131.6 secs Computing kpt #: 66 total cpu time spent up to now is 133.7 secs Computing kpt #: 67 total cpu time spent up to now is 135.7 secs Computing kpt #: 68 total cpu time spent up to now is 137.4 secs Computing kpt #: 69 total cpu time spent up to now is 139.4 secs Computing kpt #: 70 total cpu time spent up to now is 141.3 secs Computing kpt #: 71 total cpu time spent up to now is 143.1 secs Computing kpt #: 72 total cpu time spent up to now is 144.9 secs Computing kpt #: 73 total cpu time spent up to now is 146.7 secs Computing kpt #: 74 total cpu time spent up to now is 148.4 secs Computing kpt #: 75 total cpu time spent up to now is 150.1 secs Computing kpt #: 76 total cpu time spent up to now is 151.8 secs Computing kpt #: 77 total cpu time spent up to now is 153.5 secs Computing kpt #: 78 total cpu time spent up to now is 155.4 secs Computing kpt #: 79 total cpu time spent up to now is 157.4 secs Computing kpt #: 80 total cpu time spent up to now is 159.4 secs Computing kpt #: 81 total cpu time spent up to now is 161.4 secs Computing kpt #: 82 total cpu time spent up to now is 163.4 secs Computing kpt #: 83 total cpu time spent up to now is 165.5 secs Computing kpt #: 84 total cpu time spent up to now is 167.4 secs Computing kpt #: 85 total cpu time spent up to now is 169.5 secs Computing kpt #: 86 total cpu time spent up to now is 171.4 secs Computing kpt #: 87 total cpu time spent up to now is 173.4 secs Computing kpt #: 88 total cpu time spent up to now is 175.4 secs Computing kpt #: 89 total cpu time spent up to now is 177.1 secs Computing kpt #: 90 total cpu time spent up to now is 179.1 secs Computing kpt #: 91 total cpu time spent up to now is 180.7 secs Computing kpt #: 92 total cpu time spent up to now is 182.4 secs Computing kpt #: 93 total cpu time spent up to now is 184.1 secs Computing kpt #: 94 total cpu time spent up to now is 186.1 secs Computing kpt #: 95 total cpu time spent up to now is 188.1 secs Computing kpt #: 96 total cpu time spent up to now is 190.2 secs Computing kpt #: 97 total cpu time spent up to now is 192.1 secs Computing kpt #: 98 total cpu time spent up to now is 194.0 secs Computing kpt #: 99 total cpu time spent up to now is 196.0 secs Computing kpt #: 100 total cpu time spent up to now is 197.9 secs Computing kpt #: 101 total cpu time spent up to now is 199.9 secs Computing kpt #: 102 total cpu time spent up to now is 201.9 secs Computing kpt #: 103 total cpu time spent up to now is 203.8 secs Computing kpt #: 104 total cpu time spent up to now is 205.8 secs Computing kpt #: 105 total cpu time spent up to now is 207.8 secs Computing kpt #: 106 total cpu time spent up to now is 209.9 secs Computing kpt #: 107 total cpu time spent up to now is 211.8 secs Computing kpt #: 108 total cpu time spent up to now is 213.8 secs Computing kpt #: 109 total cpu time spent up to now is 215.9 secs Computing kpt #: 110 total cpu time spent up to now is 217.8 secs Computing kpt #: 111 total cpu time spent up to now is 219.8 secs Computing kpt #: 112 total cpu time spent up to now is 221.9 secs Computing kpt #: 113 total cpu time spent up to now is 223.9 secs Computing kpt #: 114 total cpu time spent up to now is 226.0 secs Computing kpt #: 115 total cpu time spent up to now is 228.1 secs Computing kpt #: 116 total cpu time spent up to now is 230.3 secs Computing kpt #: 117 total cpu time spent up to now is 232.5 secs Computing kpt #: 118 total cpu time spent up to now is 234.7 secs Computing kpt #: 119 total cpu time spent up to now is 236.8 secs Computing kpt #: 120 total cpu time spent up to now is 239.0 secs Computing kpt #: 121 total cpu time spent up to now is 241.2 secs Computing kpt #: 122 total cpu time spent up to now is 243.3 secs Computing kpt #: 123 total cpu time spent up to now is 245.5 secs Computing kpt #: 124 total cpu time spent up to now is 247.6 secs Computing kpt #: 125 total cpu time spent up to now is 249.7 secs Computing kpt #: 126 total cpu time spent up to now is 251.8 secs Computing kpt #: 127 total cpu time spent up to now is 253.8 secs Computing kpt #: 128 total cpu time spent up to now is 255.9 secs Computing kpt #: 129 total cpu time spent up to now is 258.0 secs Computing kpt #: 130 total cpu time spent up to now is 259.8 secs Computing kpt #: 131 total cpu time spent up to now is 261.6 secs Computing kpt #: 132 total cpu time spent up to now is 263.3 secs Computing kpt #: 133 total cpu time spent up to now is 265.1 secs Computing kpt #: 134 total cpu time spent up to now is 267.0 secs Computing kpt #: 135 total cpu time spent up to now is 269.0 secs Computing kpt #: 136 total cpu time spent up to now is 271.6 secs Computing kpt #: 137 total cpu time spent up to now is 273.6 secs Computing kpt #: 138 total cpu time spent up to now is 275.7 secs Computing kpt #: 139 total cpu time spent up to now is 277.6 secs Computing kpt #: 140 total cpu time spent up to now is 279.6 secs Computing kpt #: 141 total cpu time spent up to now is 281.6 secs Computing kpt #: 142 total cpu time spent up to now is 283.6 secs Computing kpt #: 143 total cpu time spent up to now is 285.6 secs Computing kpt #: 144 total cpu time spent up to now is 287.6 secs Computing kpt #: 145 total cpu time spent up to now is 289.6 secs Computing kpt #: 146 total cpu time spent up to now is 291.6 secs Computing kpt #: 147 total cpu time spent up to now is 293.6 secs Computing kpt #: 148 total cpu time spent up to now is 295.6 secs Computing kpt #: 149 total cpu time spent up to now is 297.6 secs Computing kpt #: 150 total cpu time spent up to now is 299.6 secs Computing kpt #: 151 total cpu time spent up to now is 301.7 secs Computing kpt #: 152 total cpu time spent up to now is 303.7 secs Computing kpt #: 153 total cpu time spent up to now is 305.7 secs Computing kpt #: 154 total cpu time spent up to now is 307.8 secs Computing kpt #: 155 total cpu time spent up to now is 309.9 secs Computing kpt #: 156 total cpu time spent up to now is 311.9 secs Computing kpt #: 157 total cpu time spent up to now is 313.9 secs Computing kpt #: 158 total cpu time spent up to now is 315.9 secs Computing kpt #: 159 total cpu time spent up to now is 317.8 secs Computing kpt #: 160 total cpu time spent up to now is 319.9 secs Computing kpt #: 161 total cpu time spent up to now is 321.9 secs Computing kpt #: 162 total cpu time spent up to now is 323.9 secs Computing kpt #: 163 total cpu time spent up to now is 325.9 secs Computing kpt #: 164 total cpu time spent up to now is 327.8 secs Computing kpt #: 165 total cpu time spent up to now is 329.8 secs Computing kpt #: 166 total cpu time spent up to now is 331.9 secs Computing kpt #: 167 total cpu time spent up to now is 333.8 secs Computing kpt #: 168 total cpu time spent up to now is 335.8 secs Computing kpt #: 169 total cpu time spent up to now is 337.9 secs Computing kpt #: 170 total cpu time spent up to now is 339.8 secs Computing kpt #: 171 total cpu time spent up to now is 341.6 secs Computing kpt #: 172 total cpu time spent up to now is 343.4 secs Computing kpt #: 173 total cpu time spent up to now is 345.1 secs Computing kpt #: 174 total cpu time spent up to now is 347.0 secs Computing kpt #: 175 total cpu time spent up to now is 348.8 secs Computing kpt #: 176 total cpu time spent up to now is 350.7 secs Computing kpt #: 177 total cpu time spent up to now is 352.6 secs Computing kpt #: 178 total cpu time spent up to now is 354.4 secs Computing kpt #: 179 total cpu time spent up to now is 356.1 secs Computing kpt #: 180 total cpu time spent up to now is 357.8 secs Computing kpt #: 181 total cpu time spent up to now is 359.8 secs Computing kpt #: 182 total cpu time spent up to now is 361.7 secs Computing kpt #: 183 total cpu time spent up to now is 363.7 secs Computing kpt #: 184 total cpu time spent up to now is 365.6 secs Computing kpt #: 185 total cpu time spent up to now is 367.7 secs Computing kpt #: 186 total cpu time spent up to now is 369.7 secs Computing kpt #: 187 total cpu time spent up to now is 371.7 secs Computing kpt #: 188 total cpu time spent up to now is 373.7 secs Computing kpt #: 189 total cpu time spent up to now is 375.6 secs Computing kpt #: 190 total cpu time spent up to now is 377.6 secs Computing kpt #: 191 total cpu time spent up to now is 379.5 secs Computing kpt #: 192 total cpu time spent up to now is 381.6 secs Computing kpt #: 193 total cpu time spent up to now is 383.6 secs Computing kpt #: 194 total cpu time spent up to now is 385.6 secs Computing kpt #: 195 total cpu time spent up to now is 387.6 secs Computing kpt #: 196 total cpu time spent up to now is 389.6 secs Computing kpt #: 197 total cpu time spent up to now is 391.6 secs Computing kpt #: 198 total cpu time spent up to now is 393.5 secs Computing kpt #: 199 total cpu time spent up to now is 395.5 secs Computing kpt #: 200 total cpu time spent up to now is 397.5 secs ethr = 1.79E-08, avg # of iterations = 22.8 total cpu time spent up to now is 397.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 13965 PWs) bands (ev): -11.4528 -11.4528 -11.3022 -11.3022 -11.2443 -11.2443 -11.2208 -11.2208 -7.6409 -7.6409 -7.6120 -7.6120 -7.4234 -7.4234 -7.3819 -7.3819 -3.5508 -3.5508 -3.4121 -3.4121 -2.8932 -2.8932 -2.8386 -2.8386 -2.8296 -2.8296 -2.6156 -2.6156 -2.6014 -2.6014 -2.3177 -2.3177 -2.1360 -2.1360 -2.0866 -2.0866 -1.9593 -1.9593 -1.9414 -1.9414 -0.6017 -0.6017 -0.5877 -0.5877 -0.4628 -0.4628 -0.3246 -0.3246 0.1144 0.1144 0.1159 0.1159 0.1891 0.1891 0.2171 0.2171 4.4278 4.4278 5.0339 5.0339 5.0469 5.0469 5.4023 5.4023 5.4210 5.4210 6.0644 6.0644 k = 0.0000 0.0000 0.0256 ( 13968 PWs) bands (ev): -11.4525 -11.4525 -11.3029 -11.3029 -11.2439 -11.2439 -11.2208 -11.2208 -7.6405 -7.6405 -7.6113 -7.6113 -7.4240 -7.4240 -7.3824 -7.3824 -3.5497 -3.5497 -3.4112 -3.4112 -2.8960 -2.8960 -2.8427 -2.8427 -2.8262 -2.8262 -2.6229 -2.6229 -2.5927 -2.5927 -2.3173 -2.3173 -2.1390 -2.1390 -2.0847 -2.0847 -1.9621 -1.9621 -1.9376 -1.9376 -0.6044 -0.6044 -0.5847 -0.5847 -0.4632 -0.4632 -0.3243 -0.3243 0.1114 0.1114 0.1190 0.1190 0.1889 0.1889 0.2170 0.2170 4.4284 4.4284 5.0325 5.0325 5.0470 5.0470 5.3978 5.3978 5.4228 5.4228 6.0671 6.0671 k = 0.0000 0.0000 0.0512 ( 13962 PWs) bands (ev): -11.4517 -11.4517 -11.3049 -11.3049 -11.2428 -11.2428 -11.2207 -11.2207 -7.6392 -7.6392 -7.6095 -7.6095 -7.4260 -7.4260 -7.3838 -7.3838 -3.5466 -3.5466 -3.4084 -3.4084 -2.9040 -2.9040 -2.8508 -2.8508 -2.8204 -2.8204 -2.6334 -2.6334 -2.5784 -2.5784 -2.3162 -2.3162 -2.1467 -2.1467 -2.0805 -2.0805 -1.9671 -1.9671 -1.9298 -1.9298 -0.6093 -0.6093 -0.5786 -0.5786 -0.4643 -0.4643 -0.3234 -0.3234 0.1081 0.1081 0.1230 0.1230 0.1883 0.1883 0.2168 0.2168 4.4304 4.4304 5.0284 5.0284 5.0471 5.0471 5.3847 5.3847 5.4285 5.4285 6.0744 6.0744 k = 0.0000 0.0000 0.0768 ( 13968 PWs) bands (ev): -11.4503 -11.4503 -11.3082 -11.3082 -11.2411 -11.2411 -11.2206 -11.2206 -7.6370 -7.6370 -7.6065 -7.6065 -7.4292 -7.4292 -7.3861 -7.3861 -3.5413 -3.5413 -3.4039 -3.4039 -2.9162 -2.9162 -2.8615 -2.8615 -2.8141 -2.8141 -2.6430 -2.6430 -2.5627 -2.5627 -2.3146 -2.3146 -2.1569 -2.1569 -2.0759 -2.0759 -1.9714 -1.9714 -1.9209 -1.9209 -0.6145 -0.6145 -0.5718 -0.5718 -0.4656 -0.4656 -0.3220 -0.3220 0.1050 0.1050 0.1270 0.1270 0.1873 0.1873 0.2163 0.2163 4.4337 4.4337 5.0213 5.0213 5.0473 5.0473 5.3647 5.3647 5.4379 5.4379 6.0835 6.0835 k = 0.0000 0.0000 0.1025 ( 13981 PWs) bands (ev): -11.4485 -11.4485 -11.3124 -11.3124 -11.2390 -11.2390 -11.2205 -11.2205 -7.6340 -7.6340 -7.6024 -7.6024 -7.4335 -7.4335 -7.3894 -7.3894 -3.5341 -3.5341 -3.3976 -3.3976 -2.9319 -2.9319 -2.8746 -2.8746 -2.8078 -2.8078 -2.6518 -2.6518 -2.5462 -2.5462 -2.3124 -2.3124 -2.1683 -2.1683 -2.0726 -2.0726 -1.9739 -1.9739 -1.9118 -1.9118 -0.6192 -0.6192 -0.5655 -0.5655 -0.4665 -0.4665 -0.3204 -0.3204 0.1024 0.1024 0.1309 0.1309 0.1859 0.1859 0.2158 0.2158 4.4385 4.4385 5.0111 5.0111 5.0476 5.0476 5.3399 5.3399 5.4508 5.4508 6.0907 6.0907 k = 0.0000 0.0000 0.1281 ( 13972 PWs) bands (ev): -11.4461 -11.4461 -11.3175 -11.3175 -11.2368 -11.2368 -11.2203 -11.2203 -7.6301 -7.6301 -7.5972 -7.5972 -7.4390 -7.4390 -7.3936 -7.3936 -3.5248 -3.5248 -3.3897 -3.3897 -2.9502 -2.9502 -2.8896 -2.8896 -2.8015 -2.8015 -2.6597 -2.6597 -2.5294 -2.5294 -2.3100 -2.3100 -2.1799 -2.1799 -2.0714 -2.0714 -1.9740 -1.9740 -1.9031 -1.9031 -0.6234 -0.6234 -0.5605 -0.5605 -0.4660 -0.4660 -0.3188 -0.3188 0.1002 0.1002 0.1346 0.1346 0.1843 0.1843 0.2150 0.2150 4.4449 4.4449 4.9974 4.9974 5.0480 5.0480 5.3125 5.3125 5.4671 5.4671 6.0921 6.0921 k = 0.0000 0.0000 0.1537 ( 13975 PWs) bands (ev): -11.4432 -11.4432 -11.3231 -11.3231 -11.2345 -11.2345 -11.2201 -11.2201 -7.6254 -7.6254 -7.5909 -7.5909 -7.4454 -7.4454 -7.3988 -7.3988 -3.5136 -3.5136 -3.3804 -3.3804 -2.9707 -2.9707 -2.9064 -2.9064 -2.7954 -2.7954 -2.6671 -2.6671 -2.5125 -2.5125 -2.3077 -2.3077 -2.1907 -2.1907 -2.0726 -2.0726 -1.9717 -1.9717 -1.8951 -1.8951 -0.6270 -0.6270 -0.5576 -0.5576 -0.4633 -0.4633 -0.3175 -0.3175 0.0986 0.0986 0.1379 0.1379 0.1825 0.1825 0.2141 0.2141 4.4531 4.4531 4.9796 4.9796 5.0488 5.0488 5.2845 5.2845 5.4864 5.4864 6.0856 6.0856 k = 0.0000 0.0000 0.1793 ( 13974 PWs) bands (ev): -11.4398 -11.4398 -11.3292 -11.3292 -11.2322 -11.2322 -11.2198 -11.2198 -7.6199 -7.6199 -7.5837 -7.5837 -7.4528 -7.4528 -7.4048 -7.4048 -3.5006 -3.5006 -3.3699 -3.3699 -2.9926 -2.9926 -2.9246 -2.9246 -2.7893 -2.7893 -2.6741 -2.6741 -2.4958 -2.4958 -2.3060 -2.3060 -2.2000 -2.2000 -2.0761 -2.0761 -1.9671 -1.9671 -1.8882 -1.8882 -0.6298 -0.6298 -0.5573 -0.5573 -0.4578 -0.4578 -0.3167 -0.3167 0.0975 0.0975 0.1406 0.1406 0.1807 0.1807 0.2130 0.2130 4.4633 4.4633 4.9577 4.9577 5.0500 5.0500 5.2575 5.2575 5.5085 5.5085 6.0709 6.0709 k = 0.0000 0.0000 0.2049 ( 13965 PWs) bands (ev): -11.4359 -11.4359 -11.3356 -11.3356 -11.2300 -11.2300 -11.2196 -11.2196 -7.6137 -7.6137 -7.5756 -7.5756 -7.4610 -7.4610 -7.4118 -7.4118 -3.4858 -3.4858 -3.3584 -3.3584 -3.0155 -3.0155 -2.9439 -2.9439 -2.7833 -2.7833 -2.6809 -2.6809 -2.4793 -2.4793 -2.3057 -2.3057 -2.2069 -2.2069 -2.0817 -2.0817 -1.9607 -1.9607 -1.8826 -1.8826 -0.6318 -0.6318 -0.5597 -0.5597 -0.4496 -0.4496 -0.3166 -0.3166 0.0971 0.0971 0.1424 0.1424 0.1794 0.1794 0.2117 0.2117 4.4756 4.4756 4.9316 4.9316 5.0519 5.0519 5.2324 5.2324 5.5332 5.5332 6.0497 6.0497 k = 0.0000 0.0000 0.2305 ( 13956 PWs) bands (ev): -11.4316 -11.4316 -11.3423 -11.3423 -11.2280 -11.2280 -11.2194 -11.2194 -7.6066 -7.6066 -7.5668 -7.5668 -7.4698 -7.4698 -7.4196 -7.4196 -3.4695 -3.4695 -3.3464 -3.3464 -3.0385 -3.0385 -2.9641 -2.9641 -2.7773 -2.7773 -2.6876 -2.6876 -2.4634 -2.4634 -2.3074 -2.3074 -2.2107 -2.2107 -2.0889 -2.0889 -1.9531 -1.9531 -1.8784 -1.8784 -0.6328 -0.6328 -0.5641 -0.5641 -0.4392 -0.4392 -0.3173 -0.3173 0.0973 0.0973 0.1429 0.1429 0.1787 0.1787 0.2101 0.2101 4.4901 4.4901 4.9019 4.9019 5.0546 5.0546 5.2098 5.2098 5.5601 5.5601 6.0235 6.0235 k = 0.0000 0.0000 0.2561 ( 13942 PWs) bands (ev): -11.4269 -11.4269 -11.3492 -11.3492 -11.2262 -11.2262 -11.2192 -11.2192 -7.5989 -7.5989 -7.5572 -7.5572 -7.4792 -7.4792 -7.4281 -7.4281 -3.4519 -3.4519 -3.3347 -3.3347 -3.0606 -3.0606 -2.9850 -2.9850 -2.7713 -2.7713 -2.6943 -2.6943 -2.4480 -2.4480 -2.3115 -2.3115 -2.2108 -2.2108 -2.0974 -2.0974 -1.9446 -1.9446 -1.8759 -1.8759 -0.6329 -0.6329 -0.5700 -0.5700 -0.4273 -0.4273 -0.3191 -0.3191 0.0982 0.0982 0.1418 0.1418 0.1791 0.1791 0.2084 0.2084 4.5071 4.5071 4.8692 4.8692 5.0583 5.0583 5.1896 5.1896 5.5889 5.5889 5.9938 5.9938 k = 0.0000 0.0000 0.2817 ( 13934 PWs) bands (ev): -11.4217 -11.4217 -11.3562 -11.3562 -11.2247 -11.2247 -11.2191 -11.2191 -7.5906 -7.5906 -7.5471 -7.5471 -7.4890 -7.4890 -7.4374 -7.4374 -3.4330 -3.4330 -3.3242 -3.3242 -3.0808 -3.0808 -3.0062 -3.0062 -2.7653 -2.7653 -2.7009 -2.7009 -2.4332 -2.4332 -2.3180 -2.3180 -2.2075 -2.2075 -2.1068 -2.1068 -1.9357 -1.9357 -1.8750 -1.8750 -0.6319 -0.6319 -0.5767 -0.5767 -0.4146 -0.4146 -0.3219 -0.3219 0.0998 0.0998 0.1394 0.1394 0.1804 0.1804 0.2064 0.2064 4.5265 4.5265 4.8346 4.8346 5.0629 5.0629 5.1715 5.1715 5.6193 5.6193 5.9617 5.9617 k = 0.0000 0.0000 0.3074 ( 13929 PWs) bands (ev): -11.4162 -11.4162 -11.3633 -11.3633 -11.2233 -11.2233 -11.2190 -11.2190 -7.5817 -7.5817 -7.5367 -7.5367 -7.4991 -7.4991 -7.4473 -7.4473 -3.4133 -3.4133 -3.3162 -3.3162 -3.0974 -3.0974 -3.0275 -3.0275 -2.7592 -2.7592 -2.7075 -2.7075 -2.4191 -2.4191 -2.3262 -2.3262 -2.2014 -2.2014 -2.1171 -2.1171 -1.9266 -1.9266 -1.8758 -1.8758 -0.6299 -0.6299 -0.5840 -0.5840 -0.4017 -0.4017 -0.3260 -0.3260 0.1020 0.1020 0.1358 0.1358 0.1825 0.1825 0.2043 0.2043 4.5484 4.5484 4.7988 4.7988 5.0687 5.0687 5.1552 5.1552 5.6512 5.6512 5.9281 5.9281 k = 0.0000 0.0000 0.3330 ( 13921 PWs) bands (ev): -11.4104 -11.4104 -11.3704 -11.3704 -11.2221 -11.2221 -11.2190 -11.2190 -7.5723 -7.5723 -7.5261 -7.5261 -7.5091 -7.5091 -7.4577 -7.4577 -3.3931 -3.3931 -3.3126 -3.3126 -3.1085 -3.1085 -3.0482 -3.0482 -2.7530 -2.7530 -2.7142 -2.7142 -2.4055 -2.4055 -2.3356 -2.3356 -2.1932 -2.1932 -2.1279 -2.1279 -1.9176 -1.9176 -1.8781 -1.8781 -0.6268 -0.6268 -0.5914 -0.5914 -0.3890 -0.3890 -0.3314 -0.3314 0.1050 0.1050 0.1315 0.1315 0.1851 0.1851 0.2019 0.2019 4.5727 4.5727 4.7628 4.7628 5.0756 5.0756 5.1404 5.1404 5.6842 5.6842 5.8935 5.8935 k = 0.0000 0.0000 0.3586 ( 13925 PWs) bands (ev): -11.4043 -11.4043 -11.3775 -11.3775 -11.2212 -11.2212 -11.2192 -11.2192 -7.5625 -7.5625 -7.5223 -7.5223 -7.5123 -7.5123 -7.4685 -7.4685 -3.3730 -3.3730 -3.3148 -3.3148 -3.1127 -3.1127 -3.0678 -3.0678 -2.7467 -2.7467 -2.7208 -2.7208 -2.3926 -2.3926 -2.3459 -2.3459 -2.1836 -2.1836 -2.1391 -2.1391 -1.9090 -1.9090 -1.8820 -1.8820 -0.6228 -0.6228 -0.5987 -0.5987 -0.3769 -0.3769 -0.3380 -0.3380 0.1085 0.1085 0.1267 0.1267 0.1879 0.1879 0.1993 0.1993 4.5995 4.5995 4.7273 4.7273 5.0837 5.0837 5.1269 5.1269 5.7181 5.7181 5.8584 5.8584 k = 0.0000 0.0000 0.3842 ( 13915 PWs) bands (ev): -11.3979 -11.3979 -11.3844 -11.3844 -11.2204 -11.2204 -11.2194 -11.2194 -7.5524 -7.5524 -7.5317 -7.5317 -7.5021 -7.5021 -7.4796 -7.4796 -3.3539 -3.3539 -3.3232 -3.3232 -3.1095 -3.1095 -3.0854 -3.0854 -2.7403 -2.7403 -2.7273 -2.7273 -2.3802 -2.3802 -2.3569 -2.3569 -2.1730 -2.1730 -2.1505 -2.1505 -1.9008 -1.9008 -1.8872 -1.8872 -0.6178 -0.6178 -0.6056 -0.6056 -0.3655 -0.3655 -0.3460 -0.3460 0.1126 0.1126 0.1219 0.1219 0.1908 0.1908 0.1966 0.1966 4.6286 4.6286 4.6928 4.6928 5.0928 5.0928 5.1144 5.1144 5.7527 5.7527 5.8231 5.8231 k = 0.0000 0.0000 0.4098 ( 13922 PWs) bands (ev): -11.3912 -11.3912 -11.3912 -11.3912 -11.2199 -11.2199 -11.2198 -11.2198 -7.5421 -7.5421 -7.5420 -7.5420 -7.4909 -7.4909 -7.4908 -7.4908 -3.3368 -3.3368 -3.3367 -3.3367 -3.0999 -3.0999 -3.0998 -3.0998 -2.7339 -2.7339 -2.7338 -2.7338 -2.3683 -2.3683 -2.3683 -2.3683 -2.1619 -2.1619 -2.1619 -2.1619 -1.8935 -1.8935 -1.8935 -1.8935 -0.6121 -0.6121 -0.6121 -0.6121 -0.3552 -0.3552 -0.3552 -0.3552 0.1171 0.1171 0.1171 0.1171 0.1937 0.1937 0.1938 0.1938 4.6598 4.6598 4.6598 4.6598 5.1031 5.1031 5.1031 5.1031 5.7877 5.7877 5.7877 5.7877 k = 0.0000 0.0000 0.4098 ( 13922 PWs) bands (ev): -11.3912 -11.3912 -11.3912 -11.3912 -11.2199 -11.2199 -11.2198 -11.2198 -7.5421 -7.5421 -7.5420 -7.5420 -7.4909 -7.4909 -7.4908 -7.4908 -3.3368 -3.3368 -3.3367 -3.3367 -3.0999 -3.0999 -3.0998 -3.0998 -2.7339 -2.7339 -2.7338 -2.7338 -2.3683 -2.3683 -2.3683 -2.3683 -2.1619 -2.1619 -2.1619 -2.1619 -1.8935 -1.8935 -1.8935 -1.8935 -0.6121 -0.6121 -0.6121 -0.6121 -0.3552 -0.3552 -0.3552 -0.3552 0.1171 0.1171 0.1171 0.1171 0.1937 0.1937 0.1938 0.1938 4.6598 4.6598 4.6598 4.6598 5.1031 5.1031 5.1031 5.1031 5.7877 5.7877 5.7877 5.7877 k = 0.0000 0.0265 0.4098 ( 13921 PWs) bands (ev): -11.3921 -11.3921 -11.3898 -11.3898 -11.2203 -11.2203 -11.2191 -11.2191 -7.5423 -7.5423 -7.5412 -7.5412 -7.4954 -7.4954 -7.4860 -7.4860 -3.3398 -3.3398 -3.3336 -3.3336 -3.1038 -3.1038 -3.0961 -3.0961 -2.7402 -2.7402 -2.7297 -2.7297 -2.3789 -2.3789 -2.3604 -2.3604 -2.1721 -2.1721 -2.1516 -2.1516 -1.8972 -1.8972 -1.8906 -1.8906 -0.6136 -0.6136 -0.6105 -0.6105 -0.3656 -0.3656 -0.3463 -0.3463 0.1139 0.1139 0.1181 0.1181 0.1880 0.1880 0.1982 0.1982 4.6336 4.6336 4.6848 4.6848 5.0777 5.0777 5.1293 5.1293 5.7891 5.7891 5.7930 5.7930 k = 0.0000 0.0529 0.4098 ( 13910 PWs) bands (ev): -11.3925 -11.3925 -11.3877 -11.3877 -11.2205 -11.2205 -11.2179 -11.2179 -7.5420 -7.5420 -7.5398 -7.5398 -7.4996 -7.4996 -7.4810 -7.4810 -3.3427 -3.3427 -3.3303 -3.3303 -3.1078 -3.1078 -3.0925 -3.0925 -2.7488 -2.7488 -2.7278 -2.7278 -2.3922 -2.3922 -2.3551 -2.3551 -2.1822 -2.1822 -2.1415 -2.1415 -1.9016 -1.9016 -1.8885 -1.8885 -0.6151 -0.6151 -0.6090 -0.6090 -0.3774 -0.3774 -0.3390 -0.3390 0.1085 0.1085 0.1169 0.1169 0.1811 0.1811 0.2014 0.2014 4.6067 4.6067 4.7086 4.7086 5.0535 5.0535 5.1561 5.1561 5.7969 5.7969 5.8049 5.8049 k = 0.0000 0.0794 0.4098 ( 13913 PWs) bands (ev): -11.3923 -11.3923 -11.3851 -11.3851 -11.2204 -11.2204 -11.2165 -11.2165 -7.5410 -7.5410 -7.5378 -7.5378 -7.5036 -7.5036 -7.4756 -7.4756 -3.3455 -3.3455 -3.3271 -3.3271 -3.1121 -3.1121 -3.0890 -3.0890 -2.7594 -2.7594 -2.7280 -2.7280 -2.4082 -2.4082 -2.3523 -2.3523 -2.1921 -2.1921 -2.1315 -2.1315 -1.9068 -1.9068 -1.8873 -1.8873 -0.6166 -0.6166 -0.6076 -0.6076 -0.3906 -0.3906 -0.3333 -0.3333 0.1009 0.1009 0.1133 0.1133 0.1734 0.1734 0.2032 0.2032 4.5794 4.5794 4.7310 4.7310 5.0306 5.0306 5.1829 5.1829 5.8109 5.8109 5.8231 5.8231 k = 0.0000 0.1059 0.4098 ( 13906 PWs) bands (ev): -11.3916 -11.3916 -11.3820 -11.3820 -11.2200 -11.2200 -11.2147 -11.2147 -7.5394 -7.5394 -7.5354 -7.5354 -7.5072 -7.5072 -7.4700 -7.4700 -3.3482 -3.3482 -3.3240 -3.3240 -3.1167 -3.1167 -3.0857 -3.0857 -2.7720 -2.7720 -2.7302 -2.7302 -2.4268 -2.4268 -2.3518 -2.3518 -2.2017 -2.2017 -2.1219 -2.1219 -1.9126 -1.9126 -1.8868 -1.8868 -0.6182 -0.6182 -0.6064 -0.6064 -0.4049 -0.4049 -0.3294 -0.3294 0.0912 0.0912 0.1071 0.1071 0.1651 0.1651 0.2038 0.2038 4.5522 4.5522 4.7519 4.7519 5.0090 5.0090 5.2093 5.2093 5.8308 5.8308 5.8472 5.8472 k = 0.0000 0.1323 0.4098 ( 13913 PWs) bands (ev): -11.3903 -11.3903 -11.3784 -11.3784 -11.2192 -11.2192 -11.2127 -11.2127 -7.5373 -7.5373 -7.5324 -7.5324 -7.5106 -7.5106 -7.4642 -7.4642 -3.3507 -3.3507 -3.3212 -3.3212 -3.1217 -3.1217 -3.0826 -3.0826 -2.7862 -2.7862 -2.7342 -2.7342 -2.4480 -2.4480 -2.3534 -2.3534 -2.2110 -2.2110 -2.1127 -2.1127 -1.9192 -1.9192 -1.8869 -1.8869 -0.6200 -0.6200 -0.6055 -0.6055 -0.4202 -0.4202 -0.3271 -0.3271 0.0794 0.0794 0.0983 0.0983 0.1568 0.1568 0.2033 0.2033 4.5254 4.5254 4.7714 4.7714 4.9889 4.9889 5.2348 5.2348 5.8559 5.8559 5.8767 5.8767 k = 0.0000 0.1588 0.4098 ( 13909 PWs) bands (ev): -11.3885 -11.3885 -11.3742 -11.3742 -11.2183 -11.2183 -11.2103 -11.2103 -7.5345 -7.5345 -7.5291 -7.5291 -7.5135 -7.5135 -7.4581 -7.4581 -3.3531 -3.3531 -3.3188 -3.3188 -3.1271 -3.1271 -3.0798 -3.0798 -2.8020 -2.8020 -2.7396 -2.7396 -2.4714 -2.4714 -2.3570 -2.3570 -2.2198 -2.2198 -2.1040 -2.1040 -1.9265 -1.9265 -1.8874 -1.8874 -0.6223 -0.6223 -0.6053 -0.6053 -0.4362 -0.4362 -0.3265 -0.3265 0.0656 0.0656 0.0867 0.0867 0.1485 0.1485 0.2018 0.2018 4.4996 4.4996 4.7894 4.7894 4.9702 4.9702 5.2589 5.2589 5.8856 5.8856 5.9107 5.9107 k = 0.0000 0.1852 0.4098 ( 13906 PWs) bands (ev): -11.3863 -11.3863 -11.3696 -11.3696 -11.2171 -11.2171 -11.2077 -11.2077 -7.5311 -7.5311 -7.5258 -7.5258 -7.5158 -7.5158 -7.4519 -7.4519 -3.3555 -3.3555 -3.3171 -3.3171 -3.1330 -3.1330 -3.0773 -3.0773 -2.8189 -2.8189 -2.7462 -2.7462 -2.4970 -2.4970 -2.3623 -2.3623 -2.2281 -2.2281 -2.0959 -2.0959 -1.9347 -1.9347 -1.8882 -1.8882 -0.6253 -0.6253 -0.6058 -0.6058 -0.4527 -0.4527 -0.3275 -0.3275 0.0501 0.0501 0.0725 0.0725 0.1405 0.1405 0.1995 0.1995 4.4752 4.4752 4.8058 4.8058 4.9530 4.9530 5.2815 5.2815 5.9190 5.9190 5.9481 5.9481 k = 0.0000 0.2117 0.4098 ( 13915 PWs) bands (ev): -11.3835 -11.3835 -11.3645 -11.3645 -11.2157 -11.2157 -11.2048 -11.2048 -7.5272 -7.5272 -7.5235 -7.5235 -7.5164 -7.5164 -7.4455 -7.4455 -3.3580 -3.3580 -3.3164 -3.3164 -3.1393 -3.1393 -3.0754 -3.0754 -2.8367 -2.8367 -2.7535 -2.7535 -2.5246 -2.5246 -2.3690 -2.3690 -2.2359 -2.2359 -2.0884 -2.0884 -1.9437 -1.9437 -1.8892 -1.8892 -0.6292 -0.6292 -0.6075 -0.6075 -0.4694 -0.4694 -0.3299 -0.3299 0.0328 0.0328 0.0562 0.0562 0.1326 0.1326 0.1965 0.1965 4.4526 4.4526 4.8202 4.8202 4.9375 4.9375 5.3023 5.3023 5.9551 5.9551 5.9872 5.9872 k = 0.0000 0.2382 0.4098 ( 13924 PWs) bands (ev): -11.3803 -11.3803 -11.3589 -11.3589 -11.2140 -11.2140 -11.2016 -11.2016 -7.5241 -7.5241 -7.5226 -7.5226 -7.5137 -7.5137 -7.4389 -7.4389 -3.3607 -3.3607 -3.3170 -3.3170 -3.1462 -3.1462 -3.0740 -3.0740 -2.8551 -2.8551 -2.7610 -2.7610 -2.5539 -2.5539 -2.3769 -2.3769 -2.2432 -2.2432 -2.0817 -2.0817 -1.9537 -1.9537 -1.8901 -1.8901 -0.6343 -0.6343 -0.6105 -0.6105 -0.4857 -0.4857 -0.3338 -0.3338 0.0142 0.0142 0.0382 0.0382 0.1245 0.1245 0.1932 0.1932 4.4319 4.4319 4.8320 4.8320 4.9242 4.9242 5.3215 5.3215 5.9928 5.9928 6.0259 6.0259 k = 0.0000 0.2646 0.4098 ( 13927 PWs) bands (ev): -11.3766 -11.3766 -11.3530 -11.3530 -11.2122 -11.2122 -11.1982 -11.1982 -7.5256 -7.5256 -7.5177 -7.5177 -7.5092 -7.5092 -7.4322 -7.4322 -3.3636 -3.3636 -3.3192 -3.3192 -3.1533 -3.1533 -3.0733 -3.0733 -2.8735 -2.8735 -2.7685 -2.7685 -2.5846 -2.5846 -2.3855 -2.3855 -2.2499 -2.2499 -2.0758 -2.0758 -1.9644 -1.9644 -1.8910 -1.8910 -0.6411 -0.6411 -0.6151 -0.6151 -0.5015 -0.5015 -0.3388 -0.3388 -0.0058 -0.0058 0.0188 0.0188 0.1161 0.1161 0.1896 0.1896 4.4134 4.4134 4.8404 4.8404 4.9137 4.9137 5.3390 5.3390 6.0309 6.0309 6.0606 6.0606 k = 0.0000 0.2911 0.4098 ( 13924 PWs) bands (ev): -11.3725 -11.3725 -11.3466 -11.3466 -11.2103 -11.2103 -11.1946 -11.1946 -7.5273 -7.5273 -7.5122 -7.5122 -7.5040 -7.5040 -7.4254 -7.4254 -3.3670 -3.3670 -3.3235 -3.3235 -3.1607 -3.1607 -3.0733 -3.0733 -2.8917 -2.8917 -2.7755 -2.7755 -2.6164 -2.6164 -2.3946 -2.3946 -2.2562 -2.2562 -2.0709 -2.0709 -1.9757 -1.9757 -1.8917 -1.8917 -0.6497 -0.6497 -0.6217 -0.6217 -0.5162 -0.5162 -0.3448 -0.3448 -0.0268 -0.0268 -0.0013 -0.0013 0.1072 0.1072 0.1862 0.1862 4.3972 4.3972 4.8441 4.8441 4.9072 4.9072 5.3550 5.3550 6.0672 6.0672 6.0856 6.0856 k = 0.0000 0.3176 0.4098 ( 13916 PWs) bands (ev): -11.3681 -11.3681 -11.3399 -11.3399 -11.2083 -11.2083 -11.1908 -11.1908 -7.5290 -7.5290 -7.5062 -7.5062 -7.4985 -7.4985 -7.4185 -7.4185 -3.3711 -3.3711 -3.3301 -3.3301 -3.1682 -3.1682 -3.0740 -3.0740 -2.9092 -2.9092 -2.7818 -2.7818 -2.6487 -2.6487 -2.4039 -2.4039 -2.2621 -2.2621 -2.0674 -2.0674 -1.9871 -1.9871 -1.8923 -1.8923 -0.6605 -0.6605 -0.6300 -0.6300 -0.5298 -0.5298 -0.3514 -0.3514 -0.0486 -0.0486 -0.0218 -0.0218 0.0976 0.0976 0.1831 0.1831 4.3834 4.3834 4.8422 4.8422 4.9052 4.9052 5.3698 5.3698 6.0810 6.0810 6.1097 6.1097 k = 0.0000 0.3440 0.4098 ( 13915 PWs) bands (ev): -11.3633 -11.3633 -11.3329 -11.3329 -11.2061 -11.2061 -11.1869 -11.1869 -7.5305 -7.5305 -7.4998 -7.4998 -7.4928 -7.4928 -7.4117 -7.4117 -3.3763 -3.3763 -3.3391 -3.3391 -3.1757 -3.1757 -3.0754 -3.0754 -2.9258 -2.9258 -2.7877 -2.7877 -2.6811 -2.6811 -2.4132 -2.4132 -2.2674 -2.2674 -2.0659 -2.0659 -1.9980 -1.9980 -1.8929 -1.8929 -0.6737 -0.6737 -0.6399 -0.6399 -0.5424 -0.5424 -0.3586 -0.3586 -0.0711 -0.0711 -0.0424 -0.0424 0.0874 0.0874 0.1804 0.1804 4.3718 4.3718 4.8362 4.8362 4.9062 4.9062 5.3833 5.3833 6.0585 6.0585 6.1424 6.1424 k = 0.0000 0.3705 0.4098 ( 13910 PWs) bands (ev): -11.3582 -11.3582 -11.3257 -11.3257 -11.2040 -11.2040 -11.1828 -11.1828 -7.5319 -7.5319 -7.4930 -7.4930 -7.4869 -7.4869 -7.4049 -7.4049 -3.3833 -3.3833 -3.3500 -3.3500 -3.1832 -3.1832 -3.0773 -3.0773 -2.9411 -2.9411 -2.7938 -2.7938 -2.7121 -2.7121 -2.4222 -2.4222 -2.2724 -2.2724 -2.0673 -2.0673 -2.0072 -2.0072 -1.8934 -1.8934 -0.6892 -0.6892 -0.6512 -0.6512 -0.5543 -0.5543 -0.3660 -0.3660 -0.0940 -0.0940 -0.0629 -0.0629 0.0766 0.0766 0.1781 0.1781 4.3624 4.3624 4.8278 4.8278 4.9082 4.9082 5.3957 5.3957 6.0201 6.0201 6.1726 6.1726 k = 0.0000 0.3970 0.4098 ( 13914 PWs) bands (ev): -11.3528 -11.3528 -11.3182 -11.3182 -11.2018 -11.2018 -11.1786 -11.1786 -7.5330 -7.5330 -7.4859 -7.4859 -7.4810 -7.4810 -7.3981 -7.3981 -3.3930 -3.3930 -3.3619 -3.3619 -3.1908 -3.1908 -3.0793 -3.0793 -2.9551 -2.9551 -2.8024 -2.8024 -2.7391 -2.7391 -2.4308 -2.4308 -2.2769 -2.2769 -2.0726 -2.0726 -2.0136 -2.0136 -1.8939 -1.8939 -0.7065 -0.7065 -0.6636 -0.6636 -0.5661 -0.5661 -0.3734 -0.3734 -0.1171 -0.1171 -0.0828 -0.0828 0.0653 0.0653 0.1765 0.1765 4.3550 4.3550 4.8184 4.8184 4.9099 4.9099 5.4069 5.4069 5.9756 5.9756 6.1976 6.1976 k = 0.0000 0.4234 0.4098 ( 13915 PWs) bands (ev): -11.3472 -11.3472 -11.3105 -11.3105 -11.1997 -11.1997 -11.1744 -11.1744 -7.5340 -7.5340 -7.4785 -7.4785 -7.4749 -7.4749 -7.3915 -7.3915 -3.4067 -3.4067 -3.3735 -3.3735 -3.1987 -3.1987 -3.0814 -3.0814 -2.9677 -2.9677 -2.8178 -2.8178 -2.7575 -2.7575 -2.4389 -2.4389 -2.2809 -2.2809 -2.0819 -2.0819 -2.0170 -2.0170 -1.8945 -1.8945 -0.7252 -0.7252 -0.6771 -0.6771 -0.5781 -0.5781 -0.3807 -0.3807 -0.1401 -0.1401 -0.1021 -0.1021 0.0538 0.0538 0.1753 0.1753 4.3494 4.3494 4.8087 4.8087 4.9104 4.9104 5.4168 5.4168 5.9290 5.9290 6.2146 6.2146 k = 0.0000 0.4499 0.4098 ( 13915 PWs) bands (ev): -11.3414 -11.3414 -11.3027 -11.3027 -11.1976 -11.1976 -11.1702 -11.1702 -7.5349 -7.5349 -7.4711 -7.4711 -7.4686 -7.4686 -7.3851 -7.3851 -3.4243 -3.4243 -3.3842 -3.3842 -3.2068 -3.2068 -3.0833 -3.0833 -2.9792 -2.9792 -2.8411 -2.8411 -2.7657 -2.7657 -2.4463 -2.4463 -2.2846 -2.2846 -2.0943 -2.0943 -2.0181 -2.0181 -1.8951 -1.8951 -0.7448 -0.7448 -0.6917 -0.6917 -0.5905 -0.5905 -0.3879 -0.3879 -0.1630 -0.1630 -0.1207 -0.1207 0.0422 0.0422 0.1745 0.1745 4.3454 4.3454 4.7991 4.7991 4.9096 4.9096 5.4251 5.4251 5.8825 5.8825 6.2204 6.2204 k = 0.0000 0.4764 0.4098 ( 13911 PWs) bands (ev): -11.3354 -11.3354 -11.2948 -11.2948 -11.1956 -11.1956 -11.1659 -11.1659 -7.5355 -7.5355 -7.4643 -7.4643 -7.4617 -7.4617 -7.3789 -7.3789 -3.4451 -3.4451 -3.3945 -3.3945 -3.2151 -3.2151 -3.0851 -3.0851 -2.9899 -2.9899 -2.8679 -2.8679 -2.7676 -2.7676 -2.4529 -2.4529 -2.2878 -2.2878 -2.1085 -2.1085 -2.0180 -2.0180 -1.8958 -1.8958 -0.7648 -0.7648 -0.7072 -0.7072 -0.6034 -0.6034 -0.3948 -0.3948 -0.1854 -0.1854 -0.1383 -0.1383 0.0309 0.0309 0.1740 0.1740 4.3427 4.3427 4.7898 4.7898 4.9073 4.9073 5.4316 5.4316 5.8369 5.8369 6.2134 6.2134 k = 0.0000 0.5028 0.4098 ( 13902 PWs) bands (ev): -11.3294 -11.3294 -11.2870 -11.2870 -11.1937 -11.1937 -11.1617 -11.1617 -7.5360 -7.5360 -7.4583 -7.4583 -7.4539 -7.4539 -7.3729 -7.3729 -3.4677 -3.4677 -3.4051 -3.4051 -3.2236 -3.2236 -3.0872 -3.0872 -3.0002 -3.0002 -2.8944 -2.8944 -2.7665 -2.7665 -2.4588 -2.4588 -2.2907 -2.2907 -2.1236 -2.1236 -2.0175 -2.0175 -1.8967 -1.8967 -0.7848 -0.7848 -0.7234 -0.7234 -0.6167 -0.6167 -0.4017 -0.4017 -0.2072 -0.2072 -0.1549 -0.1549 0.0200 0.0200 0.1738 0.1738 4.3410 4.3410 4.7808 4.7808 4.9036 4.9036 5.4358 5.4358 5.7929 5.7929 6.1957 6.1957 k = 0.0000 0.5293 0.4098 ( 13892 PWs) bands (ev): -11.3233 -11.3233 -11.2791 -11.2791 -11.1919 -11.1919 -11.1576 -11.1576 -7.5363 -7.5363 -7.4527 -7.4527 -7.4457 -7.4457 -7.3674 -7.3674 -3.4915 -3.4915 -3.4161 -3.4161 -3.2321 -3.2321 -3.0902 -3.0902 -3.0103 -3.0103 -2.9183 -2.9183 -2.7637 -2.7637 -2.4639 -2.4639 -2.2934 -2.2934 -2.1389 -2.1389 -2.0169 -2.0169 -1.8977 -1.8977 -0.8046 -0.8046 -0.7404 -0.7404 -0.6303 -0.6303 -0.4085 -0.4085 -0.2283 -0.2283 -0.1704 -0.1704 0.0098 0.0098 0.1737 0.1737 4.3401 4.3401 4.7723 4.7723 4.8986 4.8986 5.4372 5.4372 5.7507 5.7507 6.1725 6.1725 k = 0.0000 0.5557 0.4098 ( 13887 PWs) bands (ev): -11.3171 -11.3171 -11.2714 -11.2714 -11.1904 -11.1904 -11.1536 -11.1536 -7.5364 -7.5364 -7.4475 -7.4475 -7.4373 -7.4373 -7.3622 -7.3622 -3.5157 -3.5157 -3.4276 -3.4276 -3.2405 -3.2405 -3.0951 -3.0951 -3.0205 -3.0205 -2.9379 -2.9379 -2.7600 -2.7600 -2.4683 -2.4683 -2.2960 -2.2960 -2.1538 -2.1538 -2.0165 -2.0165 -1.8988 -1.8988 -0.8238 -0.8238 -0.7579 -0.7579 -0.6439 -0.6439 -0.4152 -0.4152 -0.2486 -0.2486 -0.1847 -0.1847 0.0004 0.0004 0.1736 0.1736 4.3398 4.3398 4.7645 4.7645 4.8925 4.8925 5.4356 5.4356 5.7107 5.7107 6.1479 6.1479 k = 0.0000 0.5822 0.4098 ( 13892 PWs) bands (ev): -11.3110 -11.3110 -11.2638 -11.2638 -11.1890 -11.1890 -11.1498 -11.1498 -7.5364 -7.5364 -7.4427 -7.4427 -7.4290 -7.4290 -7.3576 -7.3576 -3.5400 -3.5400 -3.4393 -3.4393 -3.2488 -3.2488 -3.1030 -3.1030 -3.0300 -3.0300 -2.9525 -2.9525 -2.7557 -2.7557 -2.4721 -2.4721 -2.2988 -2.2988 -2.1678 -2.1678 -2.0165 -2.0165 -1.9000 -1.9000 -0.8423 -0.8423 -0.7757 -0.7757 -0.6572 -0.6572 -0.4219 -0.4219 -0.2680 -0.2680 -0.1977 -0.1977 -0.0082 -0.0082 0.1734 0.1734 4.3398 4.3398 4.7572 4.7572 4.8854 4.8854 5.4306 5.4306 5.6730 5.6730 6.1248 6.1248 k = 0.0000 0.6087 0.4098 ( 13893 PWs) bands (ev): -11.3049 -11.3049 -11.2566 -11.2566 -11.1877 -11.1877 -11.1461 -11.1461 -7.5361 -7.5361 -7.4382 -7.4382 -7.4206 -7.4206 -7.3534 -7.3534 -3.5638 -3.5638 -3.4511 -3.4511 -3.2568 -3.2568 -3.1150 -3.1150 -3.0375 -3.0375 -2.9623 -2.9623 -2.7511 -2.7511 -2.4754 -2.4754 -2.3022 -2.3022 -2.1801 -2.1801 -2.0170 -2.0170 -1.9013 -1.9013 -0.8600 -0.8600 -0.7937 -0.7937 -0.6700 -0.6700 -0.4285 -0.4285 -0.2865 -0.2865 -0.2095 -0.2095 -0.0158 -0.0158 0.1731 0.1731 4.3399 4.3399 4.7507 4.7507 4.8775 4.8775 5.4220 5.4220 5.6377 5.6377 6.1047 6.1047 k = 0.0000 0.6351 0.4098 ( 13895 PWs) bands (ev): -11.2990 -11.2990 -11.2496 -11.2496 -11.1867 -11.1867 -11.1427 -11.1427 -7.5357 -7.5357 -7.4341 -7.4341 -7.4124 -7.4124 -7.3498 -7.3498 -3.5869 -3.5869 -3.4626 -3.4626 -3.2646 -3.2646 -3.1304 -3.1304 -3.0424 -3.0424 -2.9683 -2.9683 -2.7464 -2.7464 -2.4785 -2.4785 -2.3064 -2.3064 -2.1903 -2.1903 -2.0180 -2.0180 -1.9027 -1.9027 -0.8766 -0.8766 -0.8116 -0.8116 -0.6821 -0.6821 -0.4350 -0.4350 -0.3039 -0.3039 -0.2199 -0.2199 -0.0224 -0.0224 0.1726 0.1726 4.3402 4.3402 4.7450 4.7450 4.8690 4.8690 5.4099 5.4099 5.6046 5.6046 6.0883 6.0883 k = 0.0000 0.6616 0.4098 ( 13892 PWs) bands (ev): -11.2931 -11.2931 -11.2432 -11.2432 -11.1858 -11.1858 -11.1395 -11.1395 -7.5350 -7.5350 -7.4304 -7.4304 -7.4042 -7.4042 -7.3469 -7.3469 -3.6089 -3.6089 -3.4737 -3.4737 -3.2722 -3.2722 -3.1479 -3.1479 -3.0450 -3.0450 -2.9715 -2.9715 -2.7416 -2.7416 -2.4816 -2.4816 -2.3118 -2.3118 -2.1977 -2.1977 -2.0196 -2.0196 -1.9041 -1.9041 -0.8921 -0.8921 -0.8291 -0.8291 -0.6931 -0.6931 -0.4413 -0.4413 -0.3202 -0.3202 -0.2290 -0.2290 -0.0282 -0.0282 0.1719 0.1719 4.3405 4.3405 4.7401 4.7401 4.8599 4.8599 5.3944 5.3944 5.5739 5.5739 6.0760 6.0760 k = 0.0000 0.6881 0.4098 ( 13900 PWs) bands (ev): -11.2875 -11.2875 -11.2373 -11.2373 -11.1849 -11.1849 -11.1365 -11.1365 -7.5341 -7.5341 -7.4273 -7.4273 -7.3963 -7.3963 -7.3446 -7.3446 -3.6297 -3.6297 -3.4840 -3.4840 -3.2794 -3.2794 -3.1659 -3.1659 -3.0458 -3.0458 -2.9729 -2.9729 -2.7370 -2.7370 -2.4849 -2.4849 -2.3185 -2.3185 -2.2021 -2.2021 -2.0218 -2.0218 -1.9055 -1.9055 -0.9064 -0.9064 -0.8461 -0.8461 -0.7030 -0.7030 -0.4473 -0.4473 -0.3353 -0.3353 -0.2367 -0.2367 -0.0332 -0.0332 0.1709 0.1709 4.3407 4.3407 4.7360 4.7360 4.8504 4.8504 5.3761 5.3761 5.5455 5.5455 6.0676 6.0676 k = 0.0000 0.7145 0.4098 ( 13899 PWs) bands (ev): -11.2821 -11.2821 -11.2322 -11.2322 -11.1840 -11.1840 -11.1339 -11.1339 -7.5330 -7.5330 -7.4247 -7.4247 -7.3886 -7.3886 -7.3431 -7.3431 -3.6491 -3.6491 -3.4933 -3.4933 -3.2863 -3.2863 -3.1834 -3.1834 -3.0454 -3.0454 -2.9731 -2.9731 -2.7324 -2.7324 -2.4887 -2.4887 -2.3260 -2.3260 -2.2036 -2.2036 -2.0246 -2.0246 -1.9069 -1.9069 -0.9194 -0.9194 -0.8623 -0.8623 -0.7114 -0.7114 -0.4529 -0.4529 -0.3493 -0.3493 -0.2430 -0.2430 -0.0374 -0.0374 0.1695 0.1695 4.3411 4.3411 4.7328 4.7328 4.8406 4.8406 5.3554 5.3554 5.5195 5.5195 6.0628 6.0628 k = 0.0000 0.7410 0.4098 ( 13896 PWs) bands (ev): -11.2770 -11.2770 -11.2281 -11.2281 -11.1830 -11.1830 -11.1317 -11.1317 -7.5316 -7.5316 -7.4226 -7.4226 -7.3812 -7.3812 -7.3423 -7.3423 -3.6668 -3.6668 -3.5015 -3.5015 -3.2928 -3.2928 -3.1996 -3.1996 -3.0439 -3.0439 -2.9727 -2.9727 -2.7280 -2.7280 -2.4935 -2.4935 -2.3338 -2.3338 -2.2023 -2.2023 -2.0280 -2.0280 -1.9082 -1.9082 -0.9311 -0.9311 -0.8776 -0.8776 -0.7183 -0.7183 -0.4578 -0.4578 -0.3621 -0.3621 -0.2479 -0.2479 -0.0411 -0.0411 0.1679 0.1679 4.3416 4.3416 4.7303 4.7303 4.8304 4.8304 5.3330 5.3330 5.4959 5.4959 6.0609 6.0609 k = 0.0000 0.7675 0.4098 ( 13902 PWs) bands (ev): -11.2721 -11.2721 -11.2251 -11.2251 -11.1817 -11.1817 -11.1298 -11.1298 -7.5300 -7.5300 -7.4211 -7.4211 -7.3741 -7.3741 -7.3424 -7.3424 -3.6829 -3.6829 -3.5084 -3.5084 -3.2986 -3.2986 -3.2139 -3.2139 -3.0416 -3.0416 -2.9721 -2.9721 -2.7237 -2.7237 -2.4994 -2.4994 -2.3412 -2.3412 -2.1989 -2.1989 -2.0320 -2.0320 -1.9095 -1.9095 -0.9414 -0.9414 -0.8916 -0.8916 -0.7236 -0.7236 -0.4621 -0.4621 -0.3736 -0.3736 -0.2515 -0.2515 -0.0443 -0.0443 0.1660 0.1660 4.3425 4.3425 4.7285 4.7285 4.8199 4.8199 5.3094 5.3094 5.4748 5.4748 6.0607 6.0607 k = 0.0000 0.7939 0.4098 ( 13906 PWs) bands (ev): -11.2676 -11.2676 -11.2233 -11.2233 -11.1800 -11.1800 -11.1282 -11.1282 -7.5282 -7.5282 -7.4202 -7.4202 -7.3674 -7.3674 -7.3432 -7.3432 -3.6970 -3.6970 -3.5138 -3.5138 -3.3036 -3.3036 -3.2262 -3.2262 -3.0385 -3.0385 -2.9715 -2.9715 -2.7195 -2.7195 -2.5066 -2.5066 -2.3476 -2.3476 -2.1937 -2.1937 -2.0365 -2.0365 -1.9107 -1.9107 -0.9502 -0.9502 -0.9042 -0.9042 -0.7272 -0.7272 -0.4655 -0.4655 -0.3840 -0.3840 -0.2536 -0.2536 -0.0471 -0.0471 0.1638 0.1638 4.3438 4.3438 4.7275 4.7275 4.8092 4.8092 5.2852 5.2852 5.4565 5.4565 6.0601 6.0601 k = 0.0000 0.8204 0.4098 ( 13910 PWs) bands (ev): -11.2635 -11.2635 -11.2229 -11.2229 -11.1779 -11.1779 -11.1271 -11.1271 -7.5261 -7.5261 -7.4199 -7.4199 -7.3612 -7.3612 -7.3449 -7.3449 -3.7093 -3.7093 -3.5175 -3.5175 -3.3078 -3.3078 -3.2363 -3.2363 -3.0347 -3.0347 -2.9712 -2.9712 -2.7153 -2.7153 -2.5154 -2.5154 -2.3524 -2.3524 -2.1873 -2.1873 -2.0415 -2.0415 -1.9118 -1.9118 -0.9576 -0.9576 -0.9151 -0.9151 -0.7291 -0.7291 -0.4679 -0.4679 -0.3931 -0.3931 -0.2544 -0.2544 -0.0497 -0.0497 0.1613 0.1613 4.3459 4.3459 4.7270 4.7270 4.7982 4.7982 5.2611 5.2611 5.4409 5.4409 6.0552 6.0552 k = 0.0000 0.8469 0.4098 ( 13915 PWs) bands (ev): -11.2597 -11.2597 -11.2238 -11.2238 -11.1756 -11.1756 -11.1264 -11.1264 -7.5237 -7.5237 -7.4202 -7.4202 -7.3555 -7.3555 -7.3473 -7.3473 -3.7196 -3.7196 -3.5196 -3.5196 -3.3108 -3.3108 -3.2439 -3.2439 -3.0303 -3.0303 -2.9715 -2.9715 -2.7113 -2.7113 -2.5255 -2.5255 -2.3554 -2.3554 -2.1799 -2.1799 -2.0469 -2.0469 -1.9128 -1.9128 -0.9635 -0.9635 -0.9242 -0.9242 -0.7293 -0.7293 -0.4692 -0.4692 -0.4010 -0.4010 -0.2538 -0.2538 -0.0521 -0.0521 0.1586 0.1586 4.3488 4.3488 4.7268 4.7268 4.7872 4.7872 5.2375 5.2375 5.4283 5.4283 6.0443 6.0443 k = 0.0000 0.8733 0.4098 ( 13911 PWs) bands (ev): -11.2563 -11.2563 -11.2258 -11.2258 -11.1731 -11.1731 -11.1261 -11.1261 -7.5211 -7.5211 -7.4211 -7.4211 -7.3513 -7.3513 -7.3495 -7.3495 -3.7279 -3.7279 -3.5199 -3.5199 -3.3128 -3.3128 -3.2491 -3.2491 -3.0254 -3.0254 -2.9723 -2.9723 -2.7073 -2.7073 -2.5369 -2.5369 -2.3564 -2.3564 -2.1719 -2.1719 -2.0525 -2.0525 -1.9137 -1.9137 -0.9680 -0.9680 -0.9314 -0.9314 -0.7279 -0.7279 -0.4692 -0.4692 -0.4077 -0.4077 -0.2519 -0.2519 -0.0545 -0.0545 0.1557 0.1557 4.3527 4.3527 4.7265 4.7265 4.7764 4.7764 5.2150 5.2150 5.4185 5.4185 6.0302 6.0302 k = 0.0000 0.8733 0.4098 ( 13911 PWs) bands (ev): -11.2563 -11.2563 -11.2258 -11.2258 -11.1731 -11.1731 -11.1261 -11.1261 -7.5211 -7.5211 -7.4211 -7.4211 -7.3513 -7.3513 -7.3495 -7.3495 -3.7279 -3.7279 -3.5199 -3.5199 -3.3128 -3.3128 -3.2491 -3.2491 -3.0254 -3.0254 -2.9723 -2.9723 -2.7073 -2.7073 -2.5369 -2.5369 -2.3564 -2.3564 -2.1719 -2.1719 -2.0525 -2.0525 -1.9137 -1.9137 -0.9680 -0.9680 -0.9314 -0.9314 -0.7279 -0.7279 -0.4692 -0.4692 -0.4077 -0.4077 -0.2519 -0.2519 -0.0545 -0.0545 0.1557 0.1557 4.3527 4.3527 4.7265 4.7265 4.7764 4.7764 5.2150 5.2150 5.4185 5.4185 6.0302 6.0302 k = 0.0000 0.8784 0.3860 ( 13908 PWs) bands (ev): -11.2555 -11.2555 -11.2275 -11.2275 -11.1701 -11.1701 -11.1275 -11.1275 -7.5174 -7.5174 -7.4258 -7.4258 -7.3506 -7.3506 -7.3490 -7.3490 -3.7188 -3.7188 -3.5292 -3.5292 -3.3064 -3.3064 -3.2438 -3.2438 -3.0347 -3.0347 -2.9906 -2.9906 -2.6981 -2.6981 -2.5446 -2.5446 -2.3487 -2.3487 -2.1568 -2.1568 -2.0587 -2.0587 -1.9177 -1.9177 -0.9688 -0.9688 -0.9324 -0.9324 -0.7129 -0.7129 -0.4714 -0.4714 -0.4116 -0.4116 -0.2620 -0.2620 -0.0481 -0.0481 0.1445 0.1445 4.3593 4.3593 4.7298 4.7298 4.7656 4.7656 5.1743 5.1743 5.4687 5.4687 6.0545 6.0545 k = 0.0000 0.8834 0.3622 ( 13892 PWs) bands (ev): -11.2546 -11.2546 -11.2294 -11.2294 -11.1670 -11.1670 -11.1291 -11.1291 -7.5132 -7.5132 -7.4308 -7.4308 -7.3503 -7.3503 -7.3483 -7.3483 -3.7090 -3.7090 -3.5392 -3.5392 -3.2988 -3.2988 -3.2381 -3.2381 -3.0445 -3.0445 -3.0085 -3.0085 -2.6887 -2.6887 -2.5536 -2.5536 -2.3385 -2.3385 -2.1461 -2.1461 -2.0621 -2.0621 -1.9225 -1.9225 -0.9690 -0.9690 -0.9340 -0.9340 -0.6967 -0.6967 -0.4758 -0.4758 -0.4130 -0.4130 -0.2727 -0.2727 -0.0409 -0.0409 0.1321 0.1321 4.3688 4.3688 4.7153 4.7153 4.7713 4.7713 5.1340 5.1340 5.5230 5.5230 6.0769 6.0769 k = 0.0000 0.8885 0.3384 ( 13903 PWs) bands (ev): -11.2536 -11.2536 -11.2314 -11.2314 -11.1638 -11.1638 -11.1308 -11.1308 -7.5085 -7.5085 -7.4362 -7.4362 -7.3501 -7.3501 -7.3477 -7.3477 -3.6985 -3.6985 -3.5500 -3.5500 -3.2902 -3.2902 -3.2326 -3.2326 -3.0546 -3.0546 -3.0255 -3.0255 -2.6792 -2.6792 -2.5633 -2.5633 -2.3262 -2.3262 -2.1429 -2.1429 -2.0601 -2.0601 -1.9282 -1.9282 -0.9686 -0.9686 -0.9362 -0.9362 -0.6794 -0.6794 -0.4832 -0.4832 -0.4115 -0.4115 -0.2840 -0.2840 -0.0329 -0.0329 0.1189 0.1189 4.3813 4.3813 4.6916 4.6916 4.7851 4.7851 5.0950 5.0950 5.5805 5.5805 6.0947 6.0947 k = 0.0000 0.8936 0.3145 ( 13910 PWs) bands (ev): -11.2523 -11.2523 -11.2336 -11.2336 -11.1606 -11.1606 -11.1328 -11.1328 -7.5034 -7.5034 -7.4420 -7.4420 -7.3497 -7.3497 -7.3473 -7.3473 -3.6873 -3.6873 -3.5615 -3.5615 -3.2807 -3.2807 -3.2275 -3.2275 -3.0647 -3.0647 -3.0411 -3.0411 -2.6697 -2.6697 -2.5734 -2.5734 -2.3122 -2.3122 -2.1479 -2.1479 -2.0518 -2.0518 -1.9348 -1.9348 -0.9676 -0.9676 -0.9388 -0.9388 -0.6613 -0.6613 -0.4933 -0.4933 -0.4070 -0.4070 -0.2958 -0.2958 -0.0241 -0.0241 0.1050 0.1050 4.3970 4.3970 4.6645 4.6645 4.8015 4.8015 5.0579 5.0579 5.6405 5.6405 6.1036 6.1036 k = 0.0000 0.8986 0.2907 ( 13905 PWs) bands (ev): -11.2510 -11.2510 -11.2357 -11.2357 -11.1574 -11.1574 -11.1349 -11.1349 -7.4980 -7.4980 -7.4480 -7.4480 -7.3494 -7.3494 -7.3471 -7.3471 -3.6755 -3.6755 -3.5735 -3.5735 -3.2705 -3.2705 -3.2235 -3.2235 -3.0743 -3.0743 -3.0550 -3.0550 -2.6602 -2.6602 -2.5835 -2.5835 -2.2968 -2.2968 -2.1589 -2.1589 -2.0395 -2.0395 -1.9424 -1.9424 -0.9660 -0.9660 -0.9418 -0.9418 -0.6428 -0.6428 -0.5056 -0.5056 -0.4002 -0.4002 -0.3079 -0.3079 -0.0144 -0.0144 0.0907 0.0907 4.4157 4.4157 4.6356 4.6356 4.8194 4.8194 5.0229 5.0229 5.7021 5.7021 6.0990 6.0990 k = 0.0000 0.9037 0.2669 ( 13902 PWs) bands (ev): -11.2494 -11.2494 -11.2379 -11.2379 -11.1542 -11.1542 -11.1373 -11.1373 -7.4922 -7.4922 -7.4542 -7.4542 -7.3490 -7.3490 -7.3470 -7.3470 -3.6633 -3.6633 -3.5860 -3.5860 -3.2599 -3.2599 -3.2213 -3.2213 -3.0825 -3.0825 -3.0670 -3.0670 -2.6507 -2.6507 -2.5936 -2.5936 -2.2802 -2.2802 -2.1734 -2.1734 -2.0255 -2.0255 -1.9512 -1.9512 -0.9639 -0.9639 -0.9451 -0.9451 -0.6240 -0.6240 -0.5197 -0.5197 -0.3914 -0.3914 -0.3204 -0.3204 -0.0037 -0.0037 0.0761 0.0761 4.4372 4.4372 4.6056 4.6056 4.8387 4.8387 4.9902 4.9902 5.7646 5.7646 6.0790 6.0790 k = 0.0000 0.9088 0.2431 ( 13907 PWs) bands (ev): -11.2478 -11.2478 -11.2400 -11.2400 -11.1511 -11.1511 -11.1397 -11.1397 -7.4861 -7.4861 -7.4606 -7.4606 -7.3485 -7.3485 -7.3471 -7.3471 -3.6507 -3.6507 -3.5988 -3.5988 -3.2494 -3.2494 -3.2216 -3.2216 -3.0882 -3.0882 -3.0768 -3.0768 -2.6413 -2.6413 -2.6034 -2.6034 -2.2627 -2.2627 -2.1901 -2.1901 -2.0112 -2.0112 -1.9611 -1.9611 -0.9613 -0.9613 -0.9484 -0.9484 -0.6053 -0.6053 -0.5351 -0.5351 -0.3813 -0.3813 -0.3330 -0.3330 0.0079 0.0079 0.0616 0.0616 4.4613 4.4613 4.5753 4.5753 4.8594 4.8594 4.9599 4.9599 5.8269 5.8269 6.0447 6.0447 k = 0.0000 0.9138 0.2193 ( 13911 PWs) bands (ev): -11.2460 -11.2460 -11.2421 -11.2421 -11.1481 -11.1481 -11.1424 -11.1424 -7.4799 -7.4799 -7.4670 -7.4670 -7.3481 -7.3481 -7.3474 -7.3474 -3.6379 -3.6379 -3.6118 -3.6118 -3.2395 -3.2395 -3.2249 -3.2249 -3.0905 -3.0905 -3.0843 -3.0843 -2.6320 -2.6320 -2.6131 -2.6131 -2.2446 -2.2446 -2.2078 -2.2078 -1.9973 -1.9973 -1.9721 -1.9721 -0.9584 -0.9584 -0.9519 -0.9519 -0.5869 -0.5869 -0.5516 -0.5516 -0.3700 -0.3700 -0.3457 -0.3457 0.0203 0.0203 0.0473 0.0473 4.4876 4.4876 4.5451 4.5451 4.8817 4.8817 4.9318 4.9318 5.8880 5.8880 5.9993 5.9993 k = 0.0000 0.9189 0.1955 ( 13912 PWs) bands (ev): -11.2441 -11.2441 -11.2441 -11.2441 -11.1452 -11.1452 -11.1451 -11.1451 -7.4735 -7.4735 -7.4735 -7.4735 -7.3477 -7.3477 -7.3477 -7.3477 -3.6249 -3.6249 -3.6248 -3.6248 -3.2311 -3.2311 -3.2311 -3.2311 -3.0891 -3.0891 -3.0890 -3.0890 -2.6226 -2.6226 -2.6225 -2.6225 -2.2262 -2.2262 -2.2262 -2.2262 -1.9842 -1.9842 -1.9842 -1.9842 -0.9552 -0.9552 -0.9552 -0.9552 -0.5689 -0.5689 -0.5689 -0.5689 -0.3581 -0.3581 -0.3581 -0.3581 0.0335 0.0335 0.0335 0.0335 4.5157 4.5157 4.5157 4.5157 4.9058 4.9058 4.9058 4.9058 5.9461 5.9461 5.9461 5.9461 k = 0.0000 0.9189 0.1955 ( 13912 PWs) bands (ev): -11.2441 -11.2441 -11.2441 -11.2441 -11.1452 -11.1452 -11.1451 -11.1451 -7.4735 -7.4735 -7.4735 -7.4735 -7.3477 -7.3477 -7.3477 -7.3477 -3.6249 -3.6249 -3.6248 -3.6248 -3.2311 -3.2311 -3.2311 -3.2311 -3.0891 -3.0891 -3.0890 -3.0890 -2.6226 -2.6226 -2.6225 -2.6225 -2.2262 -2.2262 -2.2262 -2.2262 -1.9842 -1.9842 -1.9842 -1.9842 -0.9552 -0.9552 -0.9552 -0.9552 -0.5689 -0.5689 -0.5689 -0.5689 -0.3581 -0.3581 -0.3581 -0.3581 0.0335 0.0335 0.0335 0.0335 4.5157 4.5157 4.5157 4.5157 4.9058 4.9058 4.9058 4.9058 5.9461 5.9461 5.9461 5.9461 k = 0.0263 0.9189 0.1955 ( 13916 PWs) bands (ev): -11.2439 -11.2439 -11.2439 -11.2439 -11.1453 -11.1453 -11.1453 -11.1453 -7.4735 -7.4735 -7.4735 -7.4735 -7.3479 -7.3479 -7.3477 -7.3477 -3.6250 -3.6250 -3.6238 -3.6238 -3.2337 -3.2337 -3.2295 -3.2295 -3.0889 -3.0889 -3.0867 -3.0867 -2.6229 -2.6229 -2.6223 -2.6223 -2.2292 -2.2292 -2.2241 -2.2241 -1.9864 -1.9864 -1.9834 -1.9834 -0.9620 -0.9620 -0.9471 -0.9471 -0.5780 -0.5780 -0.5604 -0.5604 -0.3654 -0.3654 -0.3507 -0.3507 0.0279 0.0279 0.0380 0.0380 4.5123 4.5123 4.5138 4.5138 4.9101 4.9101 4.9103 4.9103 5.9431 5.9431 5.9455 5.9455 k = 0.0526 0.9189 0.1955 ( 13912 PWs) bands (ev): -11.2435 -11.2435 -11.2435 -11.2435 -11.1458 -11.1458 -11.1457 -11.1457 -7.4736 -7.4736 -7.4736 -7.4736 -7.3481 -7.3481 -7.3478 -7.3478 -3.6243 -3.6243 -3.6218 -3.6218 -3.2372 -3.2372 -3.2291 -3.2291 -3.0862 -3.0862 -3.0821 -3.0821 -2.6235 -2.6235 -2.6223 -2.6223 -2.2332 -2.2332 -2.2229 -2.2229 -1.9899 -1.9899 -1.9842 -1.9842 -0.9674 -0.9674 -0.9379 -0.9379 -0.5874 -0.5874 -0.5527 -0.5527 -0.3725 -0.3725 -0.3433 -0.3433 0.0214 0.0214 0.0414 0.0414 4.5042 4.5042 4.5071 4.5071 4.9226 4.9226 4.9230 4.9230 5.9366 5.9366 5.9413 5.9413 k = 0.0789 0.9189 0.1955 ( 13908 PWs) bands (ev): -11.2427 -11.2427 -11.2427 -11.2427 -11.1465 -11.1465 -11.1465 -11.1465 -7.4738 -7.4738 -7.4737 -7.4737 -7.3485 -7.3485 -7.3480 -7.3480 -3.6227 -3.6227 -3.6189 -3.6189 -3.2416 -3.2416 -3.2299 -3.2299 -3.0809 -3.0809 -3.0753 -3.0753 -2.6242 -2.6242 -2.6224 -2.6224 -2.2381 -2.2381 -2.2227 -2.2227 -1.9945 -1.9945 -1.9865 -1.9865 -0.9713 -0.9713 -0.9275 -0.9275 -0.5972 -0.5972 -0.5459 -0.5459 -0.3792 -0.3792 -0.3362 -0.3362 0.0138 0.0138 0.0437 0.0437 4.4929 4.4929 4.4969 4.4969 4.9418 4.9418 4.9421 4.9421 5.9271 5.9271 5.9336 5.9336 k = 0.1053 0.9189 0.1955 ( 13916 PWs) bands (ev): -11.2417 -11.2417 -11.2416 -11.2416 -11.1476 -11.1476 -11.1476 -11.1476 -7.4740 -7.4740 -7.4739 -7.4739 -7.3489 -7.3489 -7.3483 -7.3483 -3.6203 -3.6203 -3.6152 -3.6152 -3.2465 -3.2465 -3.2319 -3.2319 -3.0729 -3.0729 -3.0666 -3.0666 -2.6251 -2.6251 -2.6228 -2.6228 -2.2440 -2.2440 -2.2235 -2.2235 -2.0001 -2.0001 -1.9903 -1.9903 -0.9738 -0.9738 -0.9163 -0.9163 -0.6070 -0.6070 -0.5402 -0.5402 -0.3852 -0.3852 -0.3294 -0.3294 0.0052 0.0052 0.0449 0.0449 4.4802 4.4802 4.4849 4.4849 4.9656 4.9656 4.9657 4.9657 5.9149 5.9149 5.9229 5.9229 k = 0.1316 0.9189 0.1955 ( 13922 PWs) bands (ev): -11.2403 -11.2403 -11.2403 -11.2403 -11.1490 -11.1490 -11.1489 -11.1489 -7.4743 -7.4743 -7.4742 -7.4742 -7.3495 -7.3495 -7.3487 -7.3487 -3.6170 -3.6170 -3.6106 -3.6106 -3.2521 -3.2521 -3.2351 -3.2351 -3.0625 -3.0625 -3.0559 -3.0559 -2.6264 -2.6264 -2.6236 -2.6236 -2.2509 -2.2509 -2.2252 -2.2252 -2.0064 -2.0064 -1.9954 -1.9954 -0.9748 -0.9748 -0.9042 -0.9042 -0.6169 -0.6169 -0.5356 -0.5356 -0.3905 -0.3905 -0.3230 -0.3230 -0.0042 -0.0042 0.0451 0.0451 4.4675 4.4675 4.4727 4.4727 4.9914 4.9914 4.9921 4.9921 5.9005 5.9005 5.9094 5.9094 k = 0.1579 0.9189 0.1955 ( 13926 PWs) bands (ev): -11.2387 -11.2387 -11.2387 -11.2387 -11.1506 -11.1506 -11.1506 -11.1506 -7.4746 -7.4746 -7.4744 -7.4744 -7.3502 -7.3502 -7.3492 -7.3492 -3.6131 -3.6131 -3.6052 -3.6052 -3.2582 -3.2582 -3.2392 -3.2392 -3.0497 -3.0497 -3.0434 -3.0434 -2.6280 -2.6280 -2.6248 -2.6248 -2.2588 -2.2588 -2.2280 -2.2280 -2.0132 -2.0132 -2.0017 -2.0017 -0.9744 -0.9744 -0.8914 -0.8914 -0.6268 -0.6268 -0.5322 -0.5322 -0.3950 -0.3950 -0.3170 -0.3170 -0.0144 -0.0144 0.0443 0.0443 4.4562 4.4562 4.4617 4.4617 5.0176 5.0176 5.0190 5.0190 5.8846 5.8846 5.8939 5.8939 k = 0.1842 0.9189 0.1955 ( 13924 PWs) bands (ev): -11.2368 -11.2368 -11.2368 -11.2368 -11.1525 -11.1525 -11.1524 -11.1524 -7.4749 -7.4749 -7.4747 -7.4747 -7.3509 -7.3509 -7.3498 -7.3498 -3.6085 -3.6085 -3.5992 -3.5992 -3.2648 -3.2648 -3.2442 -3.2442 -3.0348 -3.0348 -3.0292 -3.0292 -2.6302 -2.6302 -2.6266 -2.6266 -2.2676 -2.2676 -2.2318 -2.2318 -2.0202 -2.0202 -2.0088 -2.0088 -0.9725 -0.9725 -0.8782 -0.8782 -0.6366 -0.6366 -0.5300 -0.5300 -0.3985 -0.3985 -0.3114 -0.3114 -0.0252 -0.0252 0.0425 0.0425 4.4471 4.4471 4.4526 4.4526 5.0423 5.0423 5.0444 5.0444 5.8679 5.8679 5.8770 5.8770 k = 0.2105 0.9189 0.1955 ( 13916 PWs) bands (ev): -11.2347 -11.2347 -11.2347 -11.2347 -11.1546 -11.1546 -11.1546 -11.1546 -7.4752 -7.4752 -7.4751 -7.4751 -7.3516 -7.3516 -7.3504 -7.3504 -3.6033 -3.6033 -3.5925 -3.5925 -3.2718 -3.2718 -3.2499 -3.2499 -3.0178 -3.0178 -3.0134 -3.0134 -2.6330 -2.6330 -2.6292 -2.6292 -2.2771 -2.2771 -2.2365 -2.2365 -2.0273 -2.0273 -2.0166 -2.0166 -0.9692 -0.9692 -0.8646 -0.8646 -0.6462 -0.6462 -0.5289 -0.5289 -0.4013 -0.4013 -0.3063 -0.3063 -0.0366 -0.0366 0.0399 0.0399 4.4411 4.4411 4.4464 4.4464 5.0637 5.0637 5.0667 5.0667 5.8513 5.8513 5.8597 5.8597 k = 0.2368 0.9189 0.1955 ( 13922 PWs) bands (ev): -11.2324 -11.2324 -11.2324 -11.2324 -11.1570 -11.1570 -11.1569 -11.1569 -7.4756 -7.4756 -7.4754 -7.4754 -7.3524 -7.3524 -7.3511 -7.3511 -3.5976 -3.5976 -3.5853 -3.5853 -3.2793 -3.2793 -3.2560 -3.2560 -2.9992 -2.9992 -2.9961 -2.9961 -2.6367 -2.6367 -2.6329 -2.6329 -2.2871 -2.2871 -2.2423 -2.2423 -2.0342 -2.0342 -2.0247 -2.0247 -0.9648 -0.9648 -0.8509 -0.8509 -0.6558 -0.6558 -0.5289 -0.5289 -0.4032 -0.4032 -0.3015 -0.3015 -0.0484 -0.0484 0.0365 0.0365 4.4384 4.4384 4.4433 4.4433 5.0802 5.0802 5.0840 5.0840 5.8361 5.8361 5.8435 5.8435 k = 0.2632 0.9189 0.1955 ( 13926 PWs) bands (ev): -11.2299 -11.2299 -11.2299 -11.2299 -11.1595 -11.1595 -11.1594 -11.1594 -7.4759 -7.4759 -7.4757 -7.4757 -7.3532 -7.3532 -7.3518 -7.3518 -3.5917 -3.5917 -3.5776 -3.5776 -3.2870 -3.2870 -3.2626 -3.2626 -2.9789 -2.9789 -2.9774 -2.9774 -2.6414 -2.6414 -2.6377 -2.6377 -2.2974 -2.2974 -2.2488 -2.2488 -2.0409 -2.0409 -2.0329 -2.0329 -0.9592 -0.9592 -0.8372 -0.8372 -0.6653 -0.6653 -0.5297 -0.5297 -0.4044 -0.4044 -0.2970 -0.2970 -0.0603 -0.0603 0.0325 0.0325 4.4392 4.4392 4.4437 4.4437 5.0905 5.0905 5.0951 5.0951 5.8238 5.8238 5.8300 5.8300 k = 0.2895 0.9189 0.1955 ( 13928 PWs) bands (ev): -11.2272 -11.2272 -11.2272 -11.2272 -11.1622 -11.1622 -11.1621 -11.1621 -7.4763 -7.4763 -7.4761 -7.4761 -7.3540 -7.3540 -7.3525 -7.3525 -3.5855 -3.5855 -3.5698 -3.5698 -3.2949 -3.2949 -3.2694 -3.2694 -2.9573 -2.9573 -2.9573 -2.9573 -2.6475 -2.6475 -2.6441 -2.6441 -2.3076 -2.3076 -2.2560 -2.2560 -2.0472 -2.0472 -2.0408 -2.0408 -0.9526 -0.9526 -0.8237 -0.8237 -0.6748 -0.6748 -0.5312 -0.5312 -0.4050 -0.4050 -0.2928 -0.2928 -0.0721 -0.0721 0.0280 0.0280 4.4437 4.4437 4.4474 4.4474 5.0935 5.0935 5.0990 5.0990 5.8158 5.8158 5.8209 5.8209 k = 0.3158 0.9189 0.1955 ( 13924 PWs) bands (ev): -11.2244 -11.2244 -11.2244 -11.2244 -11.1650 -11.1650 -11.1650 -11.1650 -7.4766 -7.4766 -7.4764 -7.4764 -7.3548 -7.3548 -7.3531 -7.3531 -3.5793 -3.5793 -3.5618 -3.5618 -3.3029 -3.3029 -3.2761 -3.2761 -2.9362 -2.9362 -2.9345 -2.9345 -2.6551 -2.6551 -2.6523 -2.6523 -2.3174 -2.3174 -2.2634 -2.2634 -2.0529 -2.0529 -2.0482 -2.0482 -0.9454 -0.9454 -0.8107 -0.8107 -0.6840 -0.6840 -0.5333 -0.5333 -0.4051 -0.4051 -0.2889 -0.2889 -0.0837 -0.0837 0.0232 0.0232 4.4514 4.4514 4.4544 4.4544 5.0890 5.0890 5.0954 5.0954 5.8134 5.8134 5.8174 5.8174 k = 0.3421 0.9189 0.1955 ( 13930 PWs) bands (ev): -11.2215 -11.2215 -11.2215 -11.2215 -11.1679 -11.1679 -11.1678 -11.1678 -7.4769 -7.4769 -7.4767 -7.4767 -7.3555 -7.3555 -7.3538 -7.3538 -3.5733 -3.5733 -3.5539 -3.5539 -3.3107 -3.3107 -3.2827 -3.2827 -2.9142 -2.9142 -2.9109 -2.9109 -2.6646 -2.6646 -2.6624 -2.6624 -2.3264 -2.3264 -2.2708 -2.2708 -2.0581 -2.0581 -2.0549 -2.0549 -0.9376 -0.9376 -0.7983 -0.7983 -0.6931 -0.6931 -0.5359 -0.5359 -0.4047 -0.4047 -0.2852 -0.2852 -0.0947 -0.0947 0.0184 0.0184 4.4619 4.4619 4.4640 4.4640 5.0778 5.0778 5.0851 5.0851 5.8169 5.8169 5.8200 5.8200 k = 0.3684 0.9189 0.1955 ( 13948 PWs) bands (ev): -11.2187 -11.2187 -11.2186 -11.2186 -11.1708 -11.1708 -11.1707 -11.1707 -7.4771 -7.4771 -7.4769 -7.4769 -7.3562 -7.3562 -7.3544 -7.3544 -3.5676 -3.5676 -3.5464 -3.5464 -3.3182 -3.3182 -3.2888 -3.2888 -2.8916 -2.8916 -2.8867 -2.8867 -2.6759 -2.6759 -2.6744 -2.6744 -2.3344 -2.3344 -2.2779 -2.2779 -2.0627 -2.0627 -2.0608 -2.0608 -0.9298 -0.9298 -0.7869 -0.7869 -0.7017 -0.7017 -0.5388 -0.5388 -0.4039 -0.4039 -0.2819 -0.2819 -0.1048 -0.1048 0.0137 0.0137 4.4746 4.4746 4.4758 4.4758 5.0613 5.0613 5.0696 5.0696 5.8261 5.8261 5.8287 5.8287 k = 0.3947 0.9189 0.1955 ( 13942 PWs) bands (ev): -11.2159 -11.2159 -11.2159 -11.2159 -11.1736 -11.1736 -11.1735 -11.1735 -7.4774 -7.4774 -7.4771 -7.4771 -7.3567 -7.3567 -7.3548 -7.3548 -3.5625 -3.5625 -3.5396 -3.5396 -3.3250 -3.3250 -3.2943 -3.2943 -2.8687 -2.8687 -2.8622 -2.8622 -2.6894 -2.6894 -2.6885 -2.6885 -2.3410 -2.3410 -2.2841 -2.2841 -2.0665 -2.0665 -2.0658 -2.0658 -0.9223 -0.9223 -0.7768 -0.7768 -0.7097 -0.7097 -0.5418 -0.5418 -0.4030 -0.4030 -0.2790 -0.2790 -0.1137 -0.1137 0.0094 0.0094 4.4884 4.4884 4.4885 4.4885 5.0420 5.0420 5.0512 5.0512 5.8404 5.8404 5.8425 5.8425 k = 0.4211 0.9189 0.1955 ( 13928 PWs) bands (ev): -11.2134 -11.2134 -11.2133 -11.2133 -11.1761 -11.1761 -11.1760 -11.1760 -7.4775 -7.4775 -7.4773 -7.4773 -7.3572 -7.3572 -7.3552 -7.3552 -3.5583 -3.5583 -3.5337 -3.5337 -3.3308 -3.3308 -3.2989 -3.2989 -2.8460 -2.8460 -2.8378 -2.8378 -2.7048 -2.7048 -2.7042 -2.7042 -2.3463 -2.3463 -2.2893 -2.2893 -2.0697 -2.0697 -2.0696 -2.0696 -0.9156 -0.9156 -0.7684 -0.7684 -0.7166 -0.7166 -0.5446 -0.5446 -0.4019 -0.4019 -0.2766 -0.2766 -0.1211 -0.1211 0.0057 0.0057 4.5010 4.5010 4.5019 4.5019 5.0225 5.0225 5.0327 5.0327 5.8584 5.8584 5.8603 5.8603 k = 0.4474 0.9189 0.1955 ( 13928 PWs) bands (ev): -11.2113 -11.2113 -11.2112 -11.2112 -11.1783 -11.1783 -11.1781 -11.1781 -7.4777 -7.4777 -7.4774 -7.4774 -7.3575 -7.3575 -7.3555 -7.3555 -3.5550 -3.5550 -3.5292 -3.5292 -3.3353 -3.3353 -3.3024 -3.3024 -2.8243 -2.8243 -2.8141 -2.8141 -2.7219 -2.7219 -2.7208 -2.7208 -2.3500 -2.3500 -2.2932 -2.2932 -2.0726 -2.0726 -2.0718 -2.0718 -0.9102 -0.9102 -0.7620 -0.7620 -0.7221 -0.7221 -0.5469 -0.5469 -0.4010 -0.4010 -0.2747 -0.2747 -0.1266 -0.1266 0.0029 0.0029 4.5116 4.5116 4.5134 4.5134 5.0058 5.0058 5.0167 5.0167 5.8791 5.8791 5.8810 5.8810 k = 0.4737 0.9189 0.1955 ( 13916 PWs) bands (ev): -11.2099 -11.2099 -11.2098 -11.2098 -11.1797 -11.1797 -11.1795 -11.1795 -7.4777 -7.4777 -7.4775 -7.4775 -7.3577 -7.3577 -7.3557 -7.3557 -3.5530 -3.5530 -3.5263 -3.5263 -3.3382 -3.3382 -3.3045 -3.3045 -2.8058 -2.8058 -2.7923 -2.7923 -2.7397 -2.7397 -2.7362 -2.7362 -2.3523 -2.3523 -2.2956 -2.2956 -2.0743 -2.0743 -2.0732 -2.0732 -0.9067 -0.9067 -0.7580 -0.7580 -0.7256 -0.7256 -0.5484 -0.5484 -0.4004 -0.4004 -0.2736 -0.2736 -0.1300 -0.1300 0.0011 0.0011 4.5189 4.5189 4.5213 4.5213 4.9944 4.9944 5.0059 5.0059 5.9004 5.9004 5.9027 5.9027 k = 0.5000 0.9189 0.1955 ( 13924 PWs) bands (ev): -11.2094 -11.2094 -11.2093 -11.2093 -11.1802 -11.1802 -11.1800 -11.1800 -7.4778 -7.4778 -7.4775 -7.4775 -7.3578 -7.3578 -7.3558 -7.3558 -3.5523 -3.5523 -3.5253 -3.5253 -3.3392 -3.3392 -3.3053 -3.3053 -2.7972 -2.7972 -2.7796 -2.7796 -2.7510 -2.7510 -2.7438 -2.7438 -2.3530 -2.3530 -2.2964 -2.2964 -2.0749 -2.0749 -2.0736 -2.0736 -0.9055 -0.9055 -0.7567 -0.7567 -0.7268 -0.7268 -0.5489 -0.5489 -0.4002 -0.4002 -0.2732 -0.2732 -0.1312 -0.1312 0.0005 0.0005 4.5215 4.5215 4.5240 4.5240 4.9904 4.9904 5.0021 5.0021 5.9141 5.9141 5.9177 5.9177 k = 0.5000 0.9189 0.1955 ( 13924 PWs) bands (ev): -11.2094 -11.2094 -11.2093 -11.2093 -11.1802 -11.1802 -11.1800 -11.1800 -7.4778 -7.4778 -7.4775 -7.4775 -7.3578 -7.3578 -7.3558 -7.3558 -3.5523 -3.5523 -3.5253 -3.5253 -3.3392 -3.3392 -3.3053 -3.3053 -2.7972 -2.7972 -2.7796 -2.7796 -2.7510 -2.7510 -2.7438 -2.7438 -2.3530 -2.3530 -2.2964 -2.2964 -2.0749 -2.0749 -2.0736 -2.0736 -0.9055 -0.9055 -0.7567 -0.7567 -0.7268 -0.7268 -0.5489 -0.5489 -0.4002 -0.4002 -0.2732 -0.2732 -0.1312 -0.1312 0.0005 0.0005 4.5215 4.5215 4.5240 4.5240 4.9904 4.9904 5.0021 5.0021 5.9141 5.9141 5.9177 5.9177 k = 0.5000 0.9240 0.1716 ( 13922 PWs) bands (ev): -11.2094 -11.2094 -11.2093 -11.2093 -11.1802 -11.1802 -11.1801 -11.1801 -7.4780 -7.4780 -7.4777 -7.4777 -7.3575 -7.3575 -7.3555 -7.3555 -3.5527 -3.5527 -3.5258 -3.5258 -3.3385 -3.3385 -3.3048 -3.3048 -2.7990 -2.7990 -2.7832 -2.7832 -2.7488 -2.7488 -2.7399 -2.7399 -2.3536 -2.3536 -2.2973 -2.2973 -2.0748 -2.0748 -2.0735 -2.0735 -0.9053 -0.9053 -0.7587 -0.7587 -0.7250 -0.7250 -0.5494 -0.5494 -0.3995 -0.3995 -0.2729 -0.2729 -0.1305 -0.1305 0.0006 0.0006 4.5165 4.5165 4.5191 4.5191 4.9943 4.9943 5.0059 5.0059 5.8844 5.8844 5.8865 5.8865 k = 0.5000 0.9290 0.1478 ( 13920 PWs) bands (ev): -11.2094 -11.2094 -11.2093 -11.2093 -11.1802 -11.1802 -11.1801 -11.1801 -7.4787 -7.4787 -7.4784 -7.4784 -7.3568 -7.3568 -7.3548 -7.3548 -3.5539 -3.5539 -3.5271 -3.5271 -3.3365 -3.3365 -3.3034 -3.3034 -2.8036 -2.8036 -2.7912 -2.7912 -2.7432 -2.7432 -2.7311 -2.7311 -2.3553 -2.3553 -2.2997 -2.2997 -2.0745 -2.0745 -2.0733 -2.0733 -0.9049 -0.9049 -0.7635 -0.7635 -0.7206 -0.7206 -0.5507 -0.5507 -0.3973 -0.3973 -0.2722 -0.2722 -0.1286 -0.1286 0.0009 0.0009 4.5023 4.5023 4.5050 4.5050 5.0049 5.0049 5.0166 5.0166 5.8482 5.8482 5.8496 5.8496 k = 0.5000 0.9341 0.1240 ( 13920 PWs) bands (ev): -11.2095 -11.2095 -11.2094 -11.2094 -11.1803 -11.1803 -11.1801 -11.1801 -7.4798 -7.4798 -7.4795 -7.4795 -7.3557 -7.3557 -7.3537 -7.3537 -3.5558 -3.5558 -3.5291 -3.5291 -3.3332 -3.3332 -3.3012 -3.3012 -2.8096 -2.8096 -2.8006 -2.8006 -2.7355 -2.7355 -2.7203 -2.7203 -2.3580 -2.3580 -2.3037 -2.3037 -2.0739 -2.0739 -2.0728 -2.0728 -0.9043 -0.9043 -0.7697 -0.7697 -0.7151 -0.7151 -0.5529 -0.5529 -0.3938 -0.3938 -0.2712 -0.2712 -0.1255 -0.1255 0.0013 0.0013 4.4809 4.4809 4.4836 4.4836 5.0198 5.0198 5.0315 5.0315 5.8167 5.8167 5.8177 5.8177 k = 0.5000 0.9392 0.1002 ( 13924 PWs) bands (ev): -11.2096 -11.2096 -11.2095 -11.2095 -11.1803 -11.1803 -11.1801 -11.1801 -7.4812 -7.4812 -7.4810 -7.4810 -7.3542 -7.3542 -7.3523 -7.3523 -3.5583 -3.5583 -3.5318 -3.5318 -3.3290 -3.3290 -3.2984 -3.2984 -2.8159 -2.8159 -2.8100 -2.8100 -2.7268 -2.7268 -2.7089 -2.7089 -2.3617 -2.3617 -2.3090 -2.3090 -2.0733 -2.0733 -2.0722 -2.0722 -0.9033 -0.9033 -0.7764 -0.7764 -0.7094 -0.7094 -0.5558 -0.5558 -0.3891 -0.3891 -0.2698 -0.2698 -0.1213 -0.1213 0.0018 0.0018 4.4546 4.4546 4.4575 4.4575 5.0359 5.0359 5.0475 5.0475 5.7919 5.7919 5.7928 5.7928 k = 0.5000 0.9442 0.0764 ( 13932 PWs) bands (ev): -11.2097 -11.2097 -11.2096 -11.2096 -11.1804 -11.1804 -11.1802 -11.1802 -7.4829 -7.4829 -7.4827 -7.4827 -7.3524 -7.3524 -7.3506 -7.3506 -3.5612 -3.5612 -3.5351 -3.5351 -3.3238 -3.3238 -3.2950 -3.2950 -2.8220 -2.8220 -2.8190 -2.8190 -2.7176 -2.7176 -2.6975 -2.6975 -2.3661 -2.3661 -2.3156 -2.3156 -2.0725 -2.0725 -2.0716 -2.0716 -0.9020 -0.9020 -0.7831 -0.7831 -0.7039 -0.7039 -0.5595 -0.5595 -0.3834 -0.3834 -0.2684 -0.2684 -0.1160 -0.1160 0.0024 0.0024 4.4257 4.4257 4.4286 4.4286 5.0502 5.0502 5.0618 5.0618 5.7752 5.7752 5.7762 5.7762 k = 0.5000 0.9493 0.0526 ( 13926 PWs) bands (ev): -11.2098 -11.2098 -11.2097 -11.2097 -11.1804 -11.1804 -11.1802 -11.1802 -7.4848 -7.4848 -7.4845 -7.4845 -7.3505 -7.3505 -7.3487 -7.3487 -3.5643 -3.5643 -3.5387 -3.5387 -3.3180 -3.3180 -3.2912 -3.2912 -2.8277 -2.8277 -2.8273 -2.8273 -2.7083 -2.7083 -2.6862 -2.6862 -2.3710 -2.3710 -2.3232 -2.3232 -2.0717 -2.0717 -2.0710 -2.0710 -0.9004 -0.9004 -0.7896 -0.7896 -0.6985 -0.6985 -0.5636 -0.5636 -0.3769 -0.3769 -0.2669 -0.2669 -0.1100 -0.1100 0.0031 0.0031 4.3960 4.3960 4.3988 4.3988 5.0607 5.0607 5.0721 5.0721 5.7673 5.7673 5.7685 5.7685 k = 0.5000 0.9544 0.0287 ( 13930 PWs) bands (ev): -11.2100 -11.2100 -11.2099 -11.2099 -11.1805 -11.1805 -11.1803 -11.1803 -7.4867 -7.4867 -7.4865 -7.4865 -7.3485 -7.3485 -7.3468 -7.3468 -3.5675 -3.5675 -3.5425 -3.5425 -3.3119 -3.3119 -3.2874 -3.2874 -2.8347 -2.8347 -2.8329 -2.8329 -2.6990 -2.6990 -2.6754 -2.6754 -2.3763 -2.3763 -2.3315 -2.3315 -2.0709 -2.0709 -2.0703 -2.0703 -0.8985 -0.8985 -0.7958 -0.7958 -0.6935 -0.6935 -0.5683 -0.5683 -0.3697 -0.3697 -0.2655 -0.2655 -0.1032 -0.1032 0.0036 0.0036 4.3667 4.3667 4.3693 4.3693 5.0661 5.0661 5.0772 5.0772 5.7684 5.7684 5.7696 5.7696 k = 0.5000 0.9594 0.0049 ( 13934 PWs) bands (ev): -11.2101 -11.2101 -11.2101 -11.2101 -11.1805 -11.1805 -11.1804 -11.1804 -7.4886 -7.4886 -7.4884 -7.4884 -7.3466 -7.3466 -7.3450 -7.3450 -3.5706 -3.5706 -3.5464 -3.5464 -3.3055 -3.3055 -3.2835 -3.2835 -2.8412 -2.8412 -2.8374 -2.8374 -2.6900 -2.6900 -2.6652 -2.6652 -2.3816 -2.3816 -2.3402 -2.3402 -2.0701 -2.0701 -2.0697 -2.0697 -0.8962 -0.8962 -0.8017 -0.8017 -0.6887 -0.6887 -0.5732 -0.5732 -0.3622 -0.3622 -0.2643 -0.2643 -0.0961 -0.0961 0.0041 0.0041 4.3388 4.3388 4.3413 4.3413 5.0663 5.0663 5.0769 5.0769 5.7772 5.7772 5.7786 5.7786 k = 0.5000 0.9645-0.0189 ( 13936 PWs) bands (ev): -11.2104 -11.2104 -11.2103 -11.2103 -11.1806 -11.1806 -11.1805 -11.1805 -7.4904 -7.4904 -7.4902 -7.4902 -7.3448 -7.3448 -7.3432 -7.3432 -3.5736 -3.5736 -3.5503 -3.5503 -3.2991 -3.2991 -3.2797 -3.2797 -2.8467 -2.8467 -2.8413 -2.8413 -2.6814 -2.6814 -2.6559 -2.6559 -2.3869 -2.3869 -2.3492 -2.3492 -2.0694 -2.0694 -2.0693 -2.0693 -0.8936 -0.8936 -0.8072 -0.8072 -0.6840 -0.6840 -0.5785 -0.5785 -0.3546 -0.3546 -0.2633 -0.2633 -0.0888 -0.0888 0.0043 0.0043 4.3133 4.3133 4.3154 4.3154 5.0622 5.0622 5.0721 5.0721 5.7922 5.7922 5.7935 5.7935 k = 0.5000 0.9645-0.0189 ( 13936 PWs) bands (ev): -11.2104 -11.2104 -11.2103 -11.2103 -11.1806 -11.1806 -11.1805 -11.1805 -7.4904 -7.4904 -7.4902 -7.4902 -7.3448 -7.3448 -7.3432 -7.3432 -3.5736 -3.5736 -3.5503 -3.5503 -3.2991 -3.2991 -3.2797 -3.2797 -2.8467 -2.8467 -2.8413 -2.8413 -2.6814 -2.6814 -2.6559 -2.6559 -2.3869 -2.3869 -2.3492 -2.3492 -2.0694 -2.0694 -2.0693 -2.0693 -0.8936 -0.8936 -0.8072 -0.8072 -0.6840 -0.6840 -0.5785 -0.5785 -0.3546 -0.3546 -0.2633 -0.2633 -0.0888 -0.0888 0.0043 0.0043 4.3133 4.3133 4.3154 4.3154 5.0622 5.0622 5.0721 5.0721 5.7922 5.7922 5.7935 5.7935 k = 0.5000 0.9588-0.0433 ( 13938 PWs) bands (ev): -11.2104 -11.2104 -11.2103 -11.2103 -11.1802 -11.1802 -11.1801 -11.1801 -7.4914 -7.4914 -7.4912 -7.4912 -7.3434 -7.3434 -7.3419 -7.3419 -3.5770 -3.5770 -3.5560 -3.5560 -3.2943 -3.2943 -3.2774 -3.2774 -2.8510 -2.8510 -2.8443 -2.8443 -2.6735 -2.6735 -2.6479 -2.6479 -2.3901 -2.3901 -2.3575 -2.3575 -2.0698 -2.0698 -2.0695 -2.0695 -0.8909 -0.8909 -0.8136 -0.8136 -0.6792 -0.6792 -0.5848 -0.5848 -0.3468 -0.3468 -0.2647 -0.2647 -0.0826 -0.0826 0.0011 0.0011 4.2933 4.2933 4.2953 4.2953 5.0534 5.0534 5.0624 5.0624 5.8070 5.8070 5.8081 5.8081 k = 0.5000 0.9531-0.0677 ( 13930 PWs) bands (ev): -11.2104 -11.2104 -11.2104 -11.2104 -11.1799 -11.1799 -11.1798 -11.1798 -7.4923 -7.4923 -7.4921 -7.4921 -7.3420 -7.3420 -7.3407 -7.3407 -3.5800 -3.5800 -3.5614 -3.5614 -3.2897 -3.2897 -3.2753 -3.2753 -2.8543 -2.8543 -2.8469 -2.8469 -2.6657 -2.6657 -2.6410 -2.6410 -2.3930 -2.3930 -2.3656 -2.3656 -2.0702 -2.0702 -2.0699 -2.0699 -0.8876 -0.8876 -0.8201 -0.8201 -0.6740 -0.6740 -0.5915 -0.5915 -0.3388 -0.3388 -0.2669 -0.2669 -0.0760 -0.0760 -0.0025 -0.0025 4.2755 4.2755 4.2773 4.2773 5.0437 5.0437 5.0517 5.0517 5.8233 5.8233 5.8243 5.8243 k = 0.5000 0.9474-0.0922 ( 13930 PWs) bands (ev): -11.2105 -11.2105 -11.2105 -11.2105 -11.1795 -11.1795 -11.1794 -11.1794 -7.4930 -7.4930 -7.4929 -7.4929 -7.3408 -7.3408 -7.3397 -7.3397 -3.5824 -3.5824 -3.5665 -3.5665 -3.2856 -3.2856 -3.2737 -3.2737 -2.8567 -2.8567 -2.8492 -2.8492 -2.6581 -2.6581 -2.6353 -2.6353 -2.3955 -2.3955 -2.3734 -2.3734 -2.0705 -2.0705 -2.0702 -2.0702 -0.8838 -0.8838 -0.8266 -0.8266 -0.6685 -0.6685 -0.5985 -0.5985 -0.3308 -0.3308 -0.2698 -0.2698 -0.0691 -0.0691 -0.0068 -0.0068 4.2601 4.2601 4.2617 4.2617 5.0340 5.0340 5.0408 5.0408 5.8397 5.8397 5.8404 5.8404 k = 0.5000 0.9417-0.1166 ( 13948 PWs) bands (ev): -11.2106 -11.2106 -11.2105 -11.2105 -11.1792 -11.1792 -11.1792 -11.1792 -7.4937 -7.4937 -7.4936 -7.4936 -7.3398 -7.3398 -7.3389 -7.3389 -3.5841 -3.5841 -3.5711 -3.5711 -3.2820 -3.2820 -3.2726 -3.2726 -2.8583 -2.8583 -2.8514 -2.8514 -2.6509 -2.6509 -2.6311 -2.6311 -2.3976 -2.3976 -2.3804 -2.3804 -2.0709 -2.0709 -2.0705 -2.0705 -0.8795 -0.8795 -0.8330 -0.8330 -0.6626 -0.6626 -0.6058 -0.6058 -0.3229 -0.3229 -0.2733 -0.2733 -0.0621 -0.0621 -0.0115 -0.0115 4.2473 4.2473 4.2486 4.2486 5.0252 5.0252 5.0308 5.0308 5.8548 5.8548 5.8553 5.8553 k = 0.5000 0.9360-0.1410 ( 13948 PWs) bands (ev): -11.2106 -11.2106 -11.2106 -11.2106 -11.1790 -11.1790 -11.1789 -11.1789 -7.4943 -7.4943 -7.4941 -7.4941 -7.3389 -7.3389 -7.3383 -7.3383 -3.5850 -3.5850 -3.5752 -3.5752 -3.2789 -3.2789 -3.2719 -3.2719 -2.8591 -2.8591 -2.8534 -2.8534 -2.6442 -2.6442 -2.6283 -2.6283 -2.3990 -2.3990 -2.3865 -2.3865 -2.0711 -2.0711 -2.0708 -2.0708 -0.8747 -0.8747 -0.8395 -0.8395 -0.6564 -0.6564 -0.6133 -0.6133 -0.3151 -0.3151 -0.2776 -0.2776 -0.0550 -0.0550 -0.0166 -0.0166 4.2373 4.2373 4.2383 4.2383 5.0179 5.0179 5.0222 5.0222 5.8676 5.8676 5.8679 5.8679 k = 0.5000 0.9303-0.1655 ( 13954 PWs) bands (ev): -11.2107 -11.2107 -11.2107 -11.2107 -11.1788 -11.1788 -11.1788 -11.1788 -7.4947 -7.4947 -7.4945 -7.4945 -7.3383 -7.3383 -7.3378 -7.3378 -3.5853 -3.5853 -3.5787 -3.5787 -3.2763 -3.2763 -3.2717 -3.2717 -2.8593 -2.8593 -2.8551 -2.8551 -2.6383 -2.6383 -2.6272 -2.6272 -2.3997 -2.3997 -2.3915 -2.3915 -2.0713 -2.0713 -2.0711 -2.0711 -0.8695 -0.8695 -0.8458 -0.8458 -0.6498 -0.6498 -0.6208 -0.6208 -0.3077 -0.3077 -0.2825 -0.2825 -0.0480 -0.0480 -0.0222 -0.0222 4.2301 4.2301 4.2308 4.2308 5.0126 5.0126 5.0155 5.0155 5.8772 5.8772 5.8774 5.8774 k = 0.5000 0.9246-0.1899 ( 13954 PWs) bands (ev): -11.2107 -11.2107 -11.2107 -11.2107 -11.1787 -11.1787 -11.1787 -11.1787 -7.4949 -7.4949 -7.4948 -7.4948 -7.3379 -7.3379 -7.3376 -7.3376 -3.5848 -3.5848 -3.5814 -3.5814 -3.2743 -3.2743 -3.2720 -3.2720 -2.8588 -2.8588 -2.8567 -2.8567 -2.6335 -2.6335 -2.6277 -2.6277 -2.3994 -2.3994 -2.3954 -2.3954 -2.0714 -2.0714 -2.0712 -2.0712 -0.8640 -0.8640 -0.8521 -0.8521 -0.6429 -0.6429 -0.6283 -0.6283 -0.3007 -0.3007 -0.2880 -0.2880 -0.0411 -0.0411 -0.0282 -0.0282 4.2258 4.2258 4.2261 4.2261 5.0096 5.0096 5.0110 5.0110 5.8833 5.8833 5.8833 5.8833 k = 0.5000 0.9189-0.2143 ( 13956 PWs) bands (ev): -11.2108 -11.2108 -11.2107 -11.2107 -11.1787 -11.1787 -11.1787 -11.1787 -7.4950 -7.4950 -7.4948 -7.4948 -7.3377 -7.3377 -7.3376 -7.3376 -3.5835 -3.5835 -3.5834 -3.5834 -3.2729 -3.2729 -3.2728 -3.2728 -2.8580 -2.8580 -2.8579 -2.8579 -2.6299 -2.6299 -2.6298 -2.6298 -2.3980 -2.3980 -2.3980 -2.3980 -2.0714 -2.0714 -2.0713 -2.0713 -0.8581 -0.8581 -0.8581 -0.8581 -0.6357 -0.6357 -0.6357 -0.6357 -0.2941 -0.2941 -0.2941 -0.2941 -0.0345 -0.0345 -0.0345 -0.0345 4.2245 4.2245 4.2245 4.2245 5.0090 5.0090 5.0090 5.0090 5.8853 5.8853 5.8853 5.8853 k = 0.5000 0.9189-0.2143 ( 13956 PWs) bands (ev): -11.2108 -11.2108 -11.2107 -11.2107 -11.1787 -11.1787 -11.1787 -11.1787 -7.4950 -7.4950 -7.4948 -7.4948 -7.3377 -7.3377 -7.3376 -7.3376 -3.5835 -3.5835 -3.5834 -3.5834 -3.2729 -3.2729 -3.2728 -3.2728 -2.8580 -2.8580 -2.8579 -2.8579 -2.6299 -2.6299 -2.6298 -2.6298 -2.3980 -2.3980 -2.3980 -2.3980 -2.0714 -2.0714 -2.0713 -2.0713 -0.8581 -0.8581 -0.8581 -0.8581 -0.6357 -0.6357 -0.6357 -0.6357 -0.2941 -0.2941 -0.2941 -0.2941 -0.0345 -0.0345 -0.0345 -0.0345 4.2245 4.2245 4.2245 4.2245 5.0090 5.0090 5.0090 5.0090 5.8853 5.8853 5.8853 5.8853 k = 0.4737 0.9189-0.2143 ( 13958 PWs) bands (ev): -11.2114 -11.2114 -11.2106 -11.2106 -11.1817 -11.1817 -11.1750 -11.1750 -7.5002 -7.5002 -7.4892 -7.4892 -7.3414 -7.3414 -7.3342 -7.3342 -3.6011 -3.6011 -3.5656 -3.5656 -3.2829 -3.2829 -3.2644 -3.2644 -2.8625 -2.8625 -2.8535 -2.8535 -2.6499 -2.6499 -2.6098 -2.6098 -2.4184 -2.4184 -2.3770 -2.3770 -2.0756 -2.0756 -2.0659 -2.0659 -0.8711 -0.8711 -0.8457 -0.8457 -0.6509 -0.6509 -0.6208 -0.6208 -0.2994 -0.2994 -0.2891 -0.2891 -0.0519 -0.0519 -0.0161 -0.0161 4.2140 4.2140 4.2397 4.2397 4.9920 4.9920 5.0247 5.0247 5.8608 5.8608 5.9026 5.9026 k = 0.4474 0.9189-0.2143 ( 13944 PWs) bands (ev): -11.2128 -11.2128 -11.2110 -11.2110 -11.1840 -11.1840 -11.1709 -11.1709 -7.5050 -7.5050 -7.4831 -7.4831 -7.3453 -7.3453 -7.3310 -7.3310 -3.6182 -3.6182 -3.5474 -3.5474 -3.2942 -3.2942 -3.2575 -3.2575 -2.8675 -2.8675 -2.8491 -2.8491 -2.6692 -2.6692 -2.5904 -2.5904 -2.4379 -2.4379 -2.3558 -2.3558 -2.0788 -2.0788 -2.0590 -2.0590 -0.8843 -0.8843 -0.8341 -0.8341 -0.6664 -0.6664 -0.6061 -0.6061 -0.3051 -0.3051 -0.2846 -0.2846 -0.0676 -0.0676 0.0029 0.0029 4.2088 4.2088 4.2591 4.2591 4.9743 4.9743 5.0386 5.0386 5.8296 5.8296 5.9129 5.9129 k = 0.4211 0.9189-0.2143 ( 13954 PWs) bands (ev): -11.2150 -11.2150 -11.2116 -11.2116 -11.1856 -11.1856 -11.1666 -11.1666 -7.5093 -7.5093 -7.4766 -7.4766 -7.3494 -7.3494 -7.3282 -7.3282 -3.6348 -3.6348 -3.5292 -3.5292 -3.3068 -3.3068 -3.2522 -3.2522 -2.8732 -2.8732 -2.8445 -2.8445 -2.6874 -2.6874 -2.5723 -2.5723 -2.4556 -2.4556 -2.3348 -2.3348 -2.0812 -2.0812 -2.0508 -2.0508 -0.8975 -0.8975 -0.8236 -0.8236 -0.6824 -0.6824 -0.5914 -0.5914 -0.3113 -0.3113 -0.2807 -0.2807 -0.0809 -0.0809 0.0219 0.0219 4.2090 4.2090 4.2819 4.2819 4.9565 4.9565 5.0503 5.0503 5.7930 5.7930 5.9176 5.9176 k = 0.3947 0.9189-0.2143 ( 13942 PWs) bands (ev): -11.2177 -11.2177 -11.2124 -11.2124 -11.1864 -11.1864 -11.1622 -11.1622 -7.5132 -7.5132 -7.4697 -7.4697 -7.3537 -7.3537 -7.3258 -7.3258 -3.6508 -3.6508 -3.5110 -3.5110 -3.3204 -3.3204 -3.2485 -3.2485 -2.8797 -2.8797 -2.8395 -2.8395 -2.7043 -2.7043 -2.5567 -2.5567 -2.4704 -2.4704 -2.3140 -2.3140 -2.0830 -2.0830 -2.0411 -2.0411 -0.9104 -0.9104 -0.8147 -0.8147 -0.6986 -0.6986 -0.5765 -0.5765 -0.3186 -0.3186 -0.2772 -0.2772 -0.0913 -0.0913 0.0407 0.0407 4.2147 4.2147 4.3071 4.3071 4.9391 4.9391 5.0598 5.0598 5.7521 5.7521 5.9188 5.9188 k = 0.3684 0.9189-0.2143 ( 13946 PWs) bands (ev): -11.2210 -11.2210 -11.2134 -11.2134 -11.1867 -11.1867 -11.1577 -11.1577 -7.5166 -7.5166 -7.4626 -7.4626 -7.3580 -7.3580 -7.3238 -7.3238 -3.6662 -3.6662 -3.4930 -3.4930 -3.3348 -3.3348 -3.2463 -3.2463 -2.8872 -2.8872 -2.8343 -2.8343 -2.7197 -2.7197 -2.5452 -2.5452 -2.4807 -2.4807 -2.2936 -2.2936 -2.0845 -2.0845 -2.0300 -2.0300 -0.9228 -0.9228 -0.8078 -0.8078 -0.7148 -0.7148 -0.5613 -0.5613 -0.3273 -0.3273 -0.2737 -0.2737 -0.0985 -0.0985 0.0589 0.0589 4.2260 4.2260 4.3334 4.3334 4.9226 4.9226 5.0677 5.0677 5.7082 5.7082 5.9185 5.9185 k = 0.3421 0.9189-0.2143 ( 13938 PWs) bands (ev): -11.2244 -11.2244 -11.2144 -11.2144 -11.1866 -11.1866 -11.1533 -11.1533 -7.5196 -7.5196 -7.4551 -7.4551 -7.3624 -7.3624 -7.3222 -7.3222 -3.6807 -3.6807 -3.4754 -3.4754 -3.3497 -3.3497 -3.2456 -3.2456 -2.8955 -2.8955 -2.8289 -2.8289 -2.7339 -2.7339 -2.5399 -2.5399 -2.4839 -2.4839 -2.2739 -2.2739 -2.0859 -2.0859 -2.0178 -2.0178 -0.9345 -0.9345 -0.8034 -0.8034 -0.7305 -0.7305 -0.5456 -0.5456 -0.3377 -0.3377 -0.2700 -0.2700 -0.1027 -0.1027 0.0764 0.0764 4.2425 4.2425 4.3593 4.3593 4.9074 4.9074 5.0749 5.0749 5.6623 5.6623 5.9183 5.9183 k = 0.3158 0.9189-0.2143 ( 13938 PWs) bands (ev): -11.2280 -11.2280 -11.2155 -11.2155 -11.1862 -11.1862 -11.1490 -11.1490 -7.5221 -7.5221 -7.4475 -7.4475 -7.3668 -7.3668 -7.3212 -7.3212 -3.6944 -3.6944 -3.4582 -3.4582 -3.3648 -3.3648 -3.2461 -3.2461 -2.9044 -2.9044 -2.8236 -2.8236 -2.7469 -2.7469 -2.5403 -2.5403 -2.4803 -2.4803 -2.2551 -2.2551 -2.0872 -2.0872 -2.0046 -2.0046 -0.9454 -0.9454 -0.8024 -0.8024 -0.7448 -0.7448 -0.5296 -0.5296 -0.3498 -0.3498 -0.2655 -0.2655 -0.1042 -0.1042 0.0929 0.0929 4.2639 4.2639 4.3834 4.3834 4.8938 4.8938 5.0831 5.0831 5.6151 5.6151 5.9189 5.9189 k = 0.2895 0.9189-0.2143 ( 13932 PWs) bands (ev): -11.2316 -11.2316 -11.2165 -11.2165 -11.1857 -11.1857 -11.1449 -11.1449 -7.5242 -7.5242 -7.4396 -7.4396 -7.3710 -7.3710 -7.3206 -7.3206 -3.7072 -3.7072 -3.4417 -3.4417 -3.3799 -3.3799 -3.2478 -3.2478 -2.9136 -2.9136 -2.8185 -2.8185 -2.7587 -2.7587 -2.5433 -2.5433 -2.4726 -2.4726 -2.2380 -2.2380 -2.0882 -2.0882 -1.9910 -1.9910 -0.9552 -0.9552 -0.8060 -0.8060 -0.7562 -0.7562 -0.5132 -0.5132 -0.3631 -0.3631 -0.2602 -0.2602 -0.1037 -0.1037 0.1085 0.1085 4.2894 4.2894 4.4043 4.4043 4.8819 4.8819 5.0943 5.0943 5.5673 5.5673 5.9201 5.9201 k = 0.2632 0.9189-0.2143 ( 13920 PWs) bands (ev): -11.2350 -11.2350 -11.2175 -11.2175 -11.1851 -11.1851 -11.1410 -11.1410 -7.5260 -7.5260 -7.4317 -7.4317 -7.3752 -7.3752 -7.3206 -7.3206 -3.7191 -3.7191 -3.4265 -3.4265 -3.3942 -3.3942 -3.2504 -3.2504 -2.9228 -2.9228 -2.8147 -2.8147 -2.7689 -2.7689 -2.5462 -2.5462 -2.4633 -2.4633 -2.2234 -2.2234 -2.0884 -2.0884 -1.9773 -1.9773 -0.9638 -0.9638 -0.8149 -0.8149 -0.7637 -0.7637 -0.4969 -0.4969 -0.3770 -0.3770 -0.2540 -0.2540 -0.1020 -0.1020 0.1230 0.1230 4.3177 4.3177 4.4213 4.4213 4.8720 4.8720 5.1102 5.1102 5.5195 5.5195 5.9214 5.9214 k = 0.2368 0.9189-0.2143 ( 13928 PWs) bands (ev): -11.2382 -11.2382 -11.2185 -11.2185 -11.1845 -11.1845 -11.1373 -11.1373 -7.5274 -7.5274 -7.4237 -7.4237 -7.3792 -7.3792 -7.3210 -7.3210 -3.7299 -3.7299 -3.4175 -3.4175 -3.4027 -3.4027 -3.2537 -3.2537 -2.9316 -2.9316 -2.8136 -2.8136 -2.7762 -2.7762 -2.5479 -2.5479 -2.4533 -2.4533 -2.2126 -2.2126 -2.0868 -2.0868 -1.9639 -1.9639 -0.9709 -0.9709 -0.8280 -0.8280 -0.7683 -0.7683 -0.4810 -0.4810 -0.3907 -0.3907 -0.2471 -0.2471 -0.0996 -0.0996 0.1363 0.1363 4.3463 4.3463 4.4356 4.4356 4.8641 4.8641 5.1320 5.1320 5.4724 5.4724 5.9217 5.9217 k = 0.2105 0.9189-0.2143 ( 13924 PWs) bands (ev): -11.2413 -11.2413 -11.2194 -11.2194 -11.1839 -11.1839 -11.1339 -11.1339 -7.5285 -7.5285 -7.4158 -7.4158 -7.3830 -7.3830 -7.3221 -7.3221 -3.7397 -3.7397 -3.4263 -3.4263 -3.3936 -3.3936 -3.2575 -3.2575 -2.9398 -2.9398 -2.8168 -2.8168 -2.7789 -2.7789 -2.5483 -2.5483 -2.4429 -2.4429 -2.2064 -2.2064 -2.0829 -2.0829 -1.9512 -1.9512 -0.9765 -0.9765 -0.8433 -0.8433 -0.7713 -0.7713 -0.4663 -0.4663 -0.4034 -0.4034 -0.2396 -0.2396 -0.0971 -0.0971 0.1484 0.1484 4.3702 4.3702 4.4516 4.4516 4.8580 4.8580 5.1600 5.1600 5.4264 5.4264 5.9202 5.9202 k = 0.1842 0.9189-0.2143 ( 13924 PWs) bands (ev): -11.2440 -11.2440 -11.2203 -11.2203 -11.1833 -11.1833 -11.1309 -11.1309 -7.5293 -7.5293 -7.4079 -7.4079 -7.3865 -7.3865 -7.3236 -7.3236 -3.7484 -3.7484 -3.4385 -3.4385 -3.3813 -3.3813 -3.2616 -3.2616 -2.9472 -2.9472 -2.8238 -2.8238 -2.7777 -2.7777 -2.5477 -2.5477 -2.4319 -2.4319 -2.2054 -2.2054 -2.0762 -2.0762 -1.9397 -1.9397 -0.9805 -0.9805 -0.8593 -0.8593 -0.7739 -0.7739 -0.4544 -0.4544 -0.4132 -0.4132 -0.2320 -0.2320 -0.0946 -0.0946 0.1593 0.1593 4.3829 4.3829 4.4757 4.4757 4.8537 4.8537 5.1932 5.1932 5.3824 5.3824 5.9167 5.9167 k = 0.1579 0.9189-0.2143 ( 13914 PWs) bands (ev): -11.2464 -11.2464 -11.2210 -11.2210 -11.1828 -11.1828 -11.1282 -11.1282 -7.5298 -7.5298 -7.4003 -7.4003 -7.3897 -7.3897 -7.3257 -7.3257 -3.7560 -3.7560 -3.4500 -3.4500 -3.3697 -3.3697 -3.2658 -3.2658 -2.9537 -2.9537 -2.8323 -2.8323 -2.7747 -2.7747 -2.5464 -2.5464 -2.4204 -2.4204 -2.2090 -2.2090 -2.0676 -2.0676 -1.9295 -1.9295 -0.9826 -0.9826 -0.8755 -0.8755 -0.7763 -0.7763 -0.4491 -0.4491 -0.4164 -0.4164 -0.2243 -0.2243 -0.0926 -0.0926 0.1688 0.1688 4.3842 4.3842 4.5083 4.5083 4.8508 4.8508 5.2291 5.2291 5.3418 5.3418 5.9115 5.9115 k = 0.1316 0.9189-0.2143 ( 13896 PWs) bands (ev): -11.2485 -11.2485 -11.2217 -11.2217 -11.1823 -11.1823 -11.1259 -11.1259 -7.5302 -7.5302 -7.3935 -7.3935 -7.3919 -7.3919 -7.3282 -7.3282 -3.7625 -3.7625 -3.4601 -3.4601 -3.3594 -3.3594 -3.2698 -3.2698 -2.9591 -2.9591 -2.8408 -2.8408 -2.7711 -2.7711 -2.5447 -2.5447 -2.4084 -2.4084 -2.2161 -2.2161 -2.0582 -2.0582 -1.9207 -1.9207 -0.9829 -0.9829 -0.8913 -0.8913 -0.7785 -0.7785 -0.4521 -0.4521 -0.4114 -0.4114 -0.2170 -0.2170 -0.0910 -0.0910 0.1770 0.1770 4.3791 4.3791 4.5449 4.5449 4.8490 4.8490 5.2597 5.2597 5.3110 5.3110 5.9053 5.9053 k = 0.1053 0.9189-0.2143 ( 13892 PWs) bands (ev): -11.2503 -11.2503 -11.2222 -11.2222 -11.1820 -11.1820 -11.1239 -11.1239 -7.5305 -7.5305 -7.3950 -7.3950 -7.3859 -7.3859 -7.3311 -7.3311 -3.7678 -3.7678 -3.4687 -3.4687 -3.3506 -3.3506 -3.2736 -3.2736 -2.9636 -2.9636 -2.8484 -2.8484 -2.7678 -2.7678 -2.5430 -2.5430 -2.3962 -2.3962 -2.2253 -2.2253 -2.0489 -2.0489 -1.9137 -1.9137 -0.9813 -0.9813 -0.9064 -0.9064 -0.7805 -0.7805 -0.4582 -0.4582 -0.4034 -0.4034 -0.2103 -0.2103 -0.0899 -0.0899 0.1838 0.1838 4.3713 4.3713 4.5815 4.5815 4.8479 4.8479 5.2532 5.2532 5.3203 5.3203 5.8989 5.8989 k = 0.0789 0.9189-0.2143 ( 13902 PWs) bands (ev): -11.2517 -11.2517 -11.2227 -11.2227 -11.1816 -11.1816 -11.1224 -11.1224 -7.5306 -7.5306 -7.3968 -7.3968 -7.3796 -7.3796 -7.3342 -7.3342 -3.7720 -3.7720 -3.4756 -3.4756 -3.3433 -3.3433 -3.2769 -3.2769 -2.9670 -2.9670 -2.8548 -2.8548 -2.7650 -2.7650 -2.5415 -2.5415 -2.3844 -2.3844 -2.2354 -2.2354 -2.0409 -2.0409 -1.9082 -1.9082 -0.9778 -0.9778 -0.9206 -0.9206 -0.7822 -0.7822 -0.4641 -0.4641 -0.3959 -0.3959 -0.2046 -0.2046 -0.0893 -0.0893 0.1892 0.1892 4.3633 4.3633 4.6149 4.6149 4.8470 4.8470 5.2274 5.2274 5.3501 5.3501 5.8932 5.8932 k = 0.0526 0.9189-0.2143 ( 13902 PWs) bands (ev): -11.2527 -11.2527 -11.2230 -11.2230 -11.1814 -11.1814 -11.1213 -11.1213 -7.5307 -7.5307 -7.3982 -7.3982 -7.3742 -7.3742 -7.3373 -7.3373 -3.7750 -3.7750 -3.4806 -3.4806 -3.3379 -3.3379 -3.2795 -3.2795 -2.9694 -2.9694 -2.8596 -2.8596 -2.7628 -2.7628 -2.5403 -2.5403 -2.3741 -2.3741 -2.2448 -2.2448 -2.0347 -2.0347 -1.9044 -1.9044 -0.9726 -0.9726 -0.9337 -0.9337 -0.7835 -0.7835 -0.4686 -0.4686 -0.3901 -0.3901 -0.2002 -0.2002 -0.0890 -0.0890 0.1931 0.1931 4.3567 4.3567 4.6423 4.6423 4.8461 4.8461 5.2052 5.2052 5.3762 5.3762 5.8887 5.8887 k = 0.0263 0.9189-0.2143 ( 13896 PWs) bands (ev): -11.2533 -11.2533 -11.2232 -11.2232 -11.1813 -11.1813 -11.1207 -11.1207 -7.5307 -7.5307 -7.3990 -7.3990 -7.3704 -7.3704 -7.3397 -7.3397 -3.7768 -3.7768 -3.4837 -3.4837 -3.3346 -3.3346 -3.2812 -3.2812 -2.9708 -2.9708 -2.8625 -2.8625 -2.7615 -2.7615 -2.5395 -2.5395 -2.3667 -2.3667 -2.2518 -2.2518 -2.0308 -2.0308 -1.9021 -1.9021 -0.9657 -0.9657 -0.9452 -0.9452 -0.7843 -0.7843 -0.4714 -0.4714 -0.3866 -0.3866 -0.1975 -0.1975 -0.0889 -0.0889 0.1954 0.1954 4.3523 4.3523 4.6605 4.6605 4.8452 4.8452 5.1906 5.1906 5.3935 5.3935 5.8858 5.8858 k = 0.0000 0.9189-0.2143 ( 13898 PWs) bands (ev): -11.2535 -11.2535 -11.2232 -11.2232 -11.1812 -11.1812 -11.1204 -11.1204 -7.5307 -7.5307 -7.3993 -7.3993 -7.3689 -7.3689 -7.3407 -7.3407 -3.7774 -3.7774 -3.4847 -3.4847 -3.3334 -3.3334 -3.2818 -3.2818 -2.9713 -2.9713 -2.8635 -2.8635 -2.7611 -2.7611 -2.5393 -2.5393 -2.3639 -2.3639 -2.2544 -2.2544 -2.0294 -2.0294 -1.9014 -1.9014 -0.9597 -0.9597 -0.9528 -0.9528 -0.7846 -0.7846 -0.4724 -0.4724 -0.3854 -0.3854 -0.1965 -0.1965 -0.0889 -0.0889 0.1962 0.1962 4.3508 4.3508 4.6669 4.6669 4.8448 4.8448 5.1856 5.1856 5.3995 5.3995 5.8848 5.8848 k = 0.0000 0.9189-0.2143 ( 13898 PWs) bands (ev): -11.2535 -11.2535 -11.2232 -11.2232 -11.1812 -11.1812 -11.1204 -11.1204 -7.5307 -7.5307 -7.3993 -7.3993 -7.3689 -7.3689 -7.3407 -7.3407 -3.7774 -3.7774 -3.4847 -3.4847 -3.3334 -3.3334 -3.2818 -3.2818 -2.9713 -2.9713 -2.8635 -2.8635 -2.7611 -2.7611 -2.5393 -2.5393 -2.3639 -2.3639 -2.2544 -2.2544 -2.0294 -2.0294 -1.9014 -1.9014 -0.9597 -0.9597 -0.9528 -0.9528 -0.7846 -0.7846 -0.4724 -0.4724 -0.3854 -0.3854 -0.1965 -0.1965 -0.0889 -0.0889 0.1962 0.1962 4.3508 4.3508 4.6669 4.6669 4.8448 4.8448 5.1856 5.1856 5.3995 5.3995 5.8848 5.8848 k = 0.0000 0.9246-0.1899 ( 13899 PWs) bands (ev): -11.2535 -11.2535 -11.2233 -11.2233 -11.1811 -11.1811 -11.1205 -11.1205 -7.5306 -7.5306 -7.3999 -7.3999 -7.3684 -7.3684 -7.3409 -7.3409 -3.7766 -3.7766 -3.4852 -3.4852 -3.3332 -3.3332 -3.2812 -3.2812 -2.9723 -2.9723 -2.8664 -2.8664 -2.7593 -2.7593 -2.5389 -2.5389 -2.3645 -2.3645 -2.2524 -2.2524 -2.0298 -2.0298 -1.9015 -1.9015 -0.9607 -0.9607 -0.9515 -0.9515 -0.7837 -0.7837 -0.4723 -0.4723 -0.3858 -0.3858 -0.1977 -0.1977 -0.0882 -0.0882 0.1955 0.1955 4.3506 4.3506 4.6681 4.6681 4.8435 4.8435 5.1894 5.1894 5.3956 5.3956 5.8872 5.8872 k = 0.0000 0.9303-0.1655 ( 13892 PWs) bands (ev): -11.2537 -11.2537 -11.2234 -11.2234 -11.1807 -11.1807 -11.1208 -11.1208 -7.5301 -7.5301 -7.4014 -7.4014 -7.3671 -7.3671 -7.3413 -7.3413 -3.7741 -3.7741 -3.4867 -3.4867 -3.3326 -3.3326 -3.2794 -3.2794 -2.9752 -2.9752 -2.8745 -2.8745 -2.7544 -2.7544 -2.5379 -2.5379 -2.3659 -2.3659 -2.2466 -2.2466 -2.0310 -2.0310 -1.9021 -1.9021 -0.9627 -0.9627 -0.9487 -0.9487 -0.7810 -0.7810 -0.4719 -0.4719 -0.3873 -0.3873 -0.2009 -0.2009 -0.0861 -0.0861 0.1936 0.1936 4.3500 4.3500 4.6717 4.6717 4.8396 4.8396 5.2006 5.2006 5.3841 5.3841 5.8945 5.8945 k = 0.0000 0.9360-0.1410 ( 13894 PWs) bands (ev): -11.2539 -11.2539 -11.2237 -11.2237 -11.1800 -11.1800 -11.1213 -11.1213 -7.5294 -7.5294 -7.4037 -7.4037 -7.3650 -7.3650 -7.3421 -7.3421 -3.7701 -3.7701 -3.4892 -3.4892 -3.3315 -3.3315 -3.2765 -3.2765 -2.9800 -2.9800 -2.8866 -2.8866 -2.7476 -2.7476 -2.5366 -2.5366 -2.3674 -2.3674 -2.2377 -2.2377 -2.0330 -2.0330 -1.9030 -1.9030 -0.9646 -0.9646 -0.9454 -0.9454 -0.7765 -0.7765 -0.4714 -0.4714 -0.3896 -0.3896 -0.2062 -0.2062 -0.0829 -0.0829 0.1903 0.1903 4.3491 4.3491 4.6774 4.6774 4.8332 4.8332 5.2190 5.2190 5.3664 5.3664 5.9067 5.9067 k = 0.0000 0.9417-0.1166 ( 13894 PWs) bands (ev): -11.2542 -11.2542 -11.2240 -11.2240 -11.1790 -11.1790 -11.1219 -11.1219 -7.5283 -7.5283 -7.4066 -7.4066 -7.3625 -7.3625 -7.3431 -7.3431 -3.7646 -3.7646 -3.4929 -3.4929 -3.3297 -3.3297 -3.2726 -3.2726 -2.9865 -2.9865 -2.9014 -2.9014 -2.7398 -2.7398 -2.5353 -2.5353 -2.3683 -2.3683 -2.2265 -2.2265 -2.0357 -2.0357 -1.9042 -1.9042 -0.9661 -0.9661 -0.9421 -0.9421 -0.7702 -0.7702 -0.4706 -0.4706 -0.3927 -0.3927 -0.2131 -0.2131 -0.0786 -0.0786 0.1858 0.1858 4.3484 4.3484 4.6850 4.6850 4.8247 4.8247 5.2438 5.2438 5.3442 5.3442 5.9238 5.9238 k = 0.0000 0.9474-0.0922 ( 13901 PWs) bands (ev): -11.2546 -11.2546 -11.2243 -11.2243 -11.1778 -11.1778 -11.1227 -11.1227 -7.5269 -7.5269 -7.4099 -7.4099 -7.3598 -7.3598 -7.3445 -7.3445 -3.7575 -3.7575 -3.4978 -3.4978 -3.3271 -3.3271 -3.2678 -3.2678 -2.9945 -2.9945 -2.9180 -2.9180 -2.7315 -2.7315 -2.5345 -2.5345 -2.3679 -2.3679 -2.2137 -2.2137 -2.0391 -2.0391 -1.9059 -1.9059 -0.9672 -0.9672 -0.9389 -0.9389 -0.7622 -0.7622 -0.4697 -0.4697 -0.3965 -0.3965 -0.2213 -0.2213 -0.0736 -0.0736 0.1800 0.1800 4.3481 4.3481 4.6942 4.6942 4.8143 4.8143 5.2711 5.2711 5.3223 5.3223 5.9454 5.9454 k = 0.0000 0.9531-0.0677 ( 13900 PWs) bands (ev): -11.2551 -11.2551 -11.2248 -11.2248 -11.1764 -11.1764 -11.1237 -11.1237 -7.5253 -7.5253 -7.4135 -7.4135 -7.3568 -7.3568 -7.3460 -7.3460 -3.7490 -3.7490 -3.5039 -3.5039 -3.3234 -3.3234 -3.2621 -3.2621 -3.0038 -3.0038 -2.9357 -2.9357 -2.7232 -2.7232 -2.5344 -2.5344 -2.3659 -2.3659 -2.1999 -2.1999 -2.0432 -2.0432 -1.9081 -1.9081 -0.9679 -0.9679 -0.9360 -0.9360 -0.7524 -0.7524 -0.4689 -0.4689 -0.4007 -0.4007 -0.2307 -0.2307 -0.0678 -0.0678 0.1730 0.1730 4.3485 4.3485 4.7046 4.7046 4.8023 4.8023 5.2735 5.2735 5.3291 5.3291 5.9709 5.9709 k = 0.0000 0.9588-0.0433 ( 13901 PWs) bands (ev): -11.2557 -11.2557 -11.2253 -11.2253 -11.1748 -11.1748 -11.1248 -11.1248 -7.5233 -7.5233 -7.4172 -7.4172 -7.3539 -7.3539 -7.3478 -7.3478 -3.7391 -3.7391 -3.5113 -3.5113 -3.3187 -3.3187 -3.2559 -3.2559 -3.0142 -3.0142 -2.9540 -2.9540 -2.7151 -2.7151 -2.5352 -2.5352 -2.3620 -2.3620 -2.1858 -2.1858 -2.0478 -2.0478 -1.9106 -1.9106 -0.9682 -0.9682 -0.9334 -0.9334 -0.7409 -0.7409 -0.4686 -0.4686 -0.4047 -0.4047 -0.2409 -0.2409 -0.0614 -0.0614 0.1649 0.1649 4.3500 4.3500 4.7158 4.7158 4.7892 4.7892 5.2467 5.2467 5.3691 5.3691 5.9995 5.9995 k = 0.0000 0.9645-0.0189 ( 13911 PWs) bands (ev): -11.2563 -11.2563 -11.2258 -11.2258 -11.1731 -11.1731 -11.1261 -11.1261 -7.5211 -7.5211 -7.4211 -7.4211 -7.3513 -7.3513 -7.3495 -7.3495 -3.7279 -3.7279 -3.5199 -3.5199 -3.3128 -3.3128 -3.2491 -3.2491 -3.0254 -3.0254 -2.9723 -2.9723 -2.7073 -2.7073 -2.5369 -2.5369 -2.3564 -2.3564 -2.1719 -2.1719 -2.0525 -2.0525 -1.9137 -1.9137 -0.9680 -0.9680 -0.9314 -0.9314 -0.7279 -0.7279 -0.4692 -0.4692 -0.4077 -0.4077 -0.2519 -0.2519 -0.0545 -0.0545 0.1557 0.1557 4.3527 4.3527 4.7265 4.7265 4.7764 4.7764 5.2150 5.2150 5.4185 5.4185 6.0302 6.0302 k = 0.5000 0.8733 0.4098 ( 13936 PWs) bands (ev): -11.2104 -11.2104 -11.2103 -11.2103 -11.1806 -11.1806 -11.1805 -11.1805 -7.4904 -7.4904 -7.4902 -7.4902 -7.3448 -7.3448 -7.3432 -7.3432 -3.5736 -3.5736 -3.5503 -3.5503 -3.2991 -3.2991 -3.2797 -3.2797 -2.8467 -2.8467 -2.8413 -2.8413 -2.6814 -2.6814 -2.6559 -2.6559 -2.3869 -2.3869 -2.3492 -2.3492 -2.0694 -2.0694 -2.0693 -2.0693 -0.8936 -0.8936 -0.8072 -0.8072 -0.6840 -0.6840 -0.5785 -0.5785 -0.3546 -0.3546 -0.2633 -0.2633 -0.0888 -0.0888 0.0043 0.0043 4.3133 4.3133 4.3154 4.3154 5.0622 5.0622 5.0721 5.0721 5.7922 5.7922 5.7935 5.7935 k = 0.5000 0.8469 0.4098 ( 13938 PWs) bands (ev): -11.2112 -11.2112 -11.2111 -11.2111 -11.1819 -11.1819 -11.1818 -11.1818 -7.4923 -7.4923 -7.4921 -7.4921 -7.3446 -7.3446 -7.3429 -7.3429 -3.5708 -3.5708 -3.5451 -3.5451 -3.2943 -3.2943 -3.2758 -3.2758 -2.8474 -2.8474 -2.8425 -2.8425 -2.6796 -2.6796 -2.6543 -2.6543 -2.3913 -2.3913 -2.3509 -2.3509 -2.0672 -2.0672 -2.0666 -2.0666 -0.8917 -0.8917 -0.8047 -0.8047 -0.6830 -0.6830 -0.5767 -0.5767 -0.3532 -0.3532 -0.2588 -0.2588 -0.0841 -0.0841 0.0117 0.0117 4.3050 4.3050 4.3068 4.3068 5.0670 5.0670 5.0767 5.0767 5.8040 5.8040 5.8054 5.8054 k = 0.5000 0.8204 0.4098 ( 13932 PWs) bands (ev): -11.2125 -11.2125 -11.2124 -11.2124 -11.1837 -11.1837 -11.1835 -11.1835 -7.4943 -7.4943 -7.4942 -7.4942 -7.3450 -7.3450 -7.3431 -7.3431 -3.5664 -3.5664 -3.5385 -3.5385 -3.2877 -3.2877 -3.2699 -3.2699 -2.8478 -2.8478 -2.8433 -2.8433 -2.6780 -2.6780 -2.6529 -2.6529 -2.3954 -2.3954 -2.3523 -2.3523 -2.0644 -2.0644 -2.0632 -2.0632 -0.8880 -0.8880 -0.8022 -0.8022 -0.6801 -0.6801 -0.5746 -0.5746 -0.3503 -0.3503 -0.2542 -0.2542 -0.0777 -0.0777 0.0196 0.0196 4.2990 4.2990 4.3004 4.3004 5.0718 5.0718 5.0812 5.0812 5.8189 5.8189 5.8203 5.8203 k = 0.5000 0.7939 0.4098 ( 13934 PWs) bands (ev): -11.2142 -11.2142 -11.2142 -11.2142 -11.1859 -11.1859 -11.1857 -11.1857 -7.4965 -7.4965 -7.4964 -7.4964 -7.3461 -7.3461 -7.3440 -7.3440 -3.5605 -3.5605 -3.5305 -3.5305 -3.2793 -3.2793 -3.2620 -3.2620 -2.8480 -2.8480 -2.8436 -2.8436 -2.6766 -2.6766 -2.6517 -2.6517 -2.3992 -2.3992 -2.3533 -2.3533 -2.0611 -2.0611 -2.0593 -2.0593 -0.8828 -0.8828 -0.7998 -0.7998 -0.6751 -0.6751 -0.5720 -0.5720 -0.3460 -0.3460 -0.2494 -0.2494 -0.0699 -0.0699 0.0278 0.0278 4.2953 4.2953 4.2963 4.2963 5.0766 5.0766 5.0857 5.0857 5.8366 5.8366 5.8380 5.8380 k = 0.5000 0.7675 0.4098 ( 13932 PWs) bands (ev): -11.2164 -11.2164 -11.2164 -11.2164 -11.1885 -11.1885 -11.1883 -11.1883 -7.4989 -7.4989 -7.4986 -7.4986 -7.3477 -7.3477 -7.3455 -7.3455 -3.5532 -3.5532 -3.5214 -3.5214 -3.2692 -3.2692 -3.2523 -3.2523 -2.8478 -2.8478 -2.8436 -2.8436 -2.6753 -2.6753 -2.6507 -2.6507 -2.4025 -2.4025 -2.3539 -2.3539 -2.0571 -2.0571 -2.0549 -2.0549 -0.8759 -0.8759 -0.7974 -0.7974 -0.6683 -0.6683 -0.5690 -0.5690 -0.3402 -0.3402 -0.2442 -0.2442 -0.0609 -0.0609 0.0365 0.0365 4.2939 4.2939 4.2946 4.2946 5.0816 5.0816 5.0904 5.0904 5.8571 5.8571 5.8584 5.8584 k = 0.5000 0.7410 0.4098 ( 13926 PWs) bands (ev): -11.2191 -11.2191 -11.2190 -11.2190 -11.1915 -11.1915 -11.1914 -11.1914 -7.5013 -7.5013 -7.5010 -7.5010 -7.3500 -7.3500 -7.3477 -7.3477 -3.5446 -3.5446 -3.5111 -3.5111 -3.2575 -3.2575 -3.2408 -3.2408 -2.8474 -2.8474 -2.8433 -2.8433 -2.6740 -2.6740 -2.6498 -2.6498 -2.4052 -2.4052 -2.3541 -2.3541 -2.0527 -2.0527 -2.0500 -2.0500 -0.8676 -0.8676 -0.7950 -0.7950 -0.6597 -0.6597 -0.5655 -0.5655 -0.3330 -0.3330 -0.2385 -0.2385 -0.0510 -0.0510 0.0453 0.0453 4.2948 4.2948 4.2951 4.2951 5.0868 5.0868 5.0952 5.0952 5.8800 5.8800 5.8812 5.8812 k = 0.5000 0.7145 0.4098 ( 13914 PWs) bands (ev): -11.2221 -11.2221 -11.2220 -11.2220 -11.1949 -11.1949 -11.1948 -11.1948 -7.5038 -7.5038 -7.5034 -7.5034 -7.3529 -7.3529 -7.3504 -7.3504 -3.5347 -3.5347 -3.4999 -3.4999 -3.2442 -3.2442 -3.2276 -3.2276 -2.8466 -2.8466 -2.8427 -2.8427 -2.6727 -2.6727 -2.6488 -2.6488 -2.4073 -2.4073 -2.3539 -2.3539 -2.0478 -2.0478 -2.0448 -2.0448 -0.8578 -0.8578 -0.7923 -0.7923 -0.6494 -0.6494 -0.5616 -0.5616 -0.3244 -0.3244 -0.2321 -0.2321 -0.0403 -0.0403 0.0544 0.0544 4.2979 4.2979 4.2980 4.2980 5.0923 5.0923 5.1003 5.1003 5.9050 5.9050 5.9061 5.9061 k = 0.5000 0.6881 0.4098 ( 13906 PWs) bands (ev): -11.2254 -11.2254 -11.2253 -11.2253 -11.1987 -11.1987 -11.1986 -11.1986 -7.5064 -7.5064 -7.5059 -7.5059 -7.3564 -7.3564 -7.3538 -7.3538 -3.5238 -3.5238 -3.4878 -3.4878 -3.2297 -3.2297 -3.2129 -3.2129 -2.8455 -2.8455 -2.8418 -2.8418 -2.6712 -2.6712 -2.6477 -2.6477 -2.4088 -2.4088 -2.3532 -2.3532 -2.0425 -2.0425 -2.0392 -2.0392 -0.8467 -0.8467 -0.7894 -0.7894 -0.6377 -0.6377 -0.5572 -0.5572 -0.3144 -0.3144 -0.2250 -0.2250 -0.0291 -0.0291 0.0635 0.0635 4.3030 4.3030 4.3032 4.3032 5.0981 5.0981 5.1056 5.1056 5.9319 5.9319 5.9327 5.9327 k = 0.5000 0.6616 0.4098 ( 13902 PWs) bands (ev): -11.2291 -11.2291 -11.2289 -11.2289 -11.2028 -11.2028 -11.2027 -11.2027 -7.5089 -7.5089 -7.5084 -7.5084 -7.3604 -7.3604 -7.3577 -7.3577 -3.5120 -3.5120 -3.4751 -3.4751 -3.2139 -3.2139 -3.1967 -3.1967 -2.8440 -2.8440 -2.8406 -2.8406 -2.6695 -2.6695 -2.6462 -2.6462 -2.4097 -2.4097 -2.3522 -2.3522 -2.0369 -2.0369 -2.0333 -2.0333 -0.8342 -0.8342 -0.7861 -0.7861 -0.6249 -0.6249 -0.5523 -0.5523 -0.3030 -0.3030 -0.2171 -0.2171 -0.0175 -0.0175 0.0727 0.0727 4.3102 4.3102 4.3106 4.3106 5.1042 5.1042 5.1111 5.1111 5.9603 5.9603 5.9607 5.9607 k = 0.5000 0.6351 0.4098 ( 13912 PWs) bands (ev): -11.2330 -11.2330 -11.2328 -11.2328 -11.2073 -11.2073 -11.2072 -11.2072 -7.5115 -7.5115 -7.5110 -7.5110 -7.3649 -7.3649 -7.3621 -7.3621 -3.4996 -3.4996 -3.4620 -3.4620 -3.1971 -3.1971 -3.1794 -3.1794 -2.8419 -2.8419 -2.8391 -2.8391 -2.6672 -2.6672 -2.6444 -2.6444 -2.4099 -2.4099 -2.3510 -2.3510 -2.0311 -2.0311 -2.0272 -2.0272 -0.8207 -0.8207 -0.7822 -0.7822 -0.6111 -0.6111 -0.5470 -0.5470 -0.2902 -0.2902 -0.2083 -0.2083 -0.0059 -0.0059 0.0819 0.0819 4.3195 4.3195 4.3200 4.3200 5.1106 5.1106 5.1170 5.1170 5.9896 5.9896 5.9899 5.9899 k = 0.5000 0.6087 0.4098 ( 13922 PWs) bands (ev): -11.2372 -11.2372 -11.2370 -11.2370 -11.2120 -11.2120 -11.2119 -11.2119 -7.5141 -7.5141 -7.5135 -7.5135 -7.3699 -7.3699 -7.3671 -7.3671 -3.4866 -3.4866 -3.4486 -3.4486 -3.1796 -3.1796 -3.1611 -3.1611 -2.8393 -2.8393 -2.8374 -2.8374 -2.6644 -2.6644 -2.6419 -2.6419 -2.4094 -2.4094 -2.3495 -2.3495 -2.0250 -2.0250 -2.0208 -2.0208 -0.8060 -0.8060 -0.7778 -0.7778 -0.5966 -0.5966 -0.5412 -0.5412 -0.2760 -0.2760 -0.1987 -0.1987 0.0058 0.0058 0.0911 0.0911 4.3307 4.3307 4.3312 4.3312 5.1173 5.1173 5.1230 5.1230 6.0191 6.0191 6.0202 6.0202 k = 0.5000 0.5822 0.4098 ( 13918 PWs) bands (ev): -11.2415 -11.2415 -11.2413 -11.2413 -11.2169 -11.2169 -11.2169 -11.2169 -7.5167 -7.5167 -7.5160 -7.5160 -7.3753 -7.3753 -7.3724 -7.3724 -3.4735 -3.4735 -3.4351 -3.4351 -3.1615 -3.1615 -3.1420 -3.1420 -2.8359 -2.8359 -2.8352 -2.8352 -2.6607 -2.6607 -2.6386 -2.6386 -2.4084 -2.4084 -2.3479 -2.3479 -2.0189 -2.0189 -2.0143 -2.0143 -0.7904 -0.7904 -0.7728 -0.7728 -0.5816 -0.5816 -0.5351 -0.5351 -0.2605 -0.2605 -0.1882 -0.1882 0.0175 0.0175 0.1000 0.1000 4.3438 4.3438 4.3442 4.3442 5.1242 5.1242 5.1291 5.1291 6.0486 6.0486 6.0507 6.0507 k = 0.5000 0.5557 0.4098 ( 13920 PWs) bands (ev): -11.2460 -11.2460 -11.2458 -11.2458 -11.2221 -11.2221 -11.2220 -11.2220 -7.5192 -7.5192 -7.5185 -7.5185 -7.3811 -7.3811 -7.3782 -7.3782 -3.4603 -3.4603 -3.4219 -3.4219 -3.1430 -3.1430 -3.1225 -3.1225 -2.8324 -2.8324 -2.8316 -2.8316 -2.6562 -2.6562 -2.6345 -2.6345 -2.4068 -2.4068 -2.3462 -2.3462 -2.0126 -2.0126 -2.0078 -2.0078 -0.7740 -0.7740 -0.7672 -0.7672 -0.5664 -0.5664 -0.5286 -0.5286 -0.2437 -0.2437 -0.1768 -0.1768 0.0289 0.0289 0.1089 0.1089 4.3585 4.3585 4.3588 4.3588 5.1311 5.1311 5.1354 5.1354 6.0774 6.0774 6.0809 6.0809 k = 0.5000 0.5293 0.4098 ( 13924 PWs) bands (ev): -11.2506 -11.2506 -11.2504 -11.2504 -11.2274 -11.2274 -11.2273 -11.2273 -7.5216 -7.5216 -7.5209 -7.5209 -7.3873 -7.3873 -7.3844 -7.3844 -3.4474 -3.4474 -3.4090 -3.4090 -3.1245 -3.1245 -3.1028 -3.1028 -2.8289 -2.8289 -2.8263 -2.8263 -2.6508 -2.6508 -2.6293 -2.6293 -2.4046 -2.4046 -2.3446 -2.3446 -2.0064 -2.0064 -2.0013 -2.0013 -0.7610 -0.7610 -0.7568 -0.7568 -0.5511 -0.5511 -0.5218 -0.5218 -0.2256 -0.2256 -0.1647 -0.1647 0.0401 0.0401 0.1175 0.1175 4.3749 4.3749 4.3749 4.3749 5.1382 5.1382 5.1417 5.1417 6.1047 6.1047 6.1101 6.1101 k = 0.5000 0.5028 0.4098 ( 13920 PWs) bands (ev): -11.2553 -11.2553 -11.2551 -11.2551 -11.2328 -11.2328 -11.2328 -11.2328 -7.5239 -7.5239 -7.5232 -7.5232 -7.3937 -7.3937 -7.3908 -7.3908 -3.4349 -3.4349 -3.3968 -3.3968 -3.1062 -3.1062 -3.0832 -3.0832 -2.8246 -2.8246 -2.8199 -2.8199 -2.6444 -2.6444 -2.6229 -2.6229 -2.4018 -2.4018 -2.3429 -2.3429 -2.0003 -2.0003 -1.9948 -1.9948 -0.7541 -0.7541 -0.7391 -0.7391 -0.5359 -0.5359 -0.5146 -0.5146 -0.2063 -0.2063 -0.1519 -0.1519 0.0510 0.0510 0.1258 0.1258 4.3922 4.3922 4.3926 4.3926 5.1452 5.1452 5.1478 5.1478 6.1298 6.1298 6.1374 6.1374 k = 0.5000 0.4764 0.4098 ( 13924 PWs) bands (ev): -11.2600 -11.2600 -11.2598 -11.2598 -11.2383 -11.2383 -11.2383 -11.2383 -7.5262 -7.5262 -7.5254 -7.5254 -7.4004 -7.4004 -7.3975 -7.3975 -3.4233 -3.4233 -3.3854 -3.3854 -3.0883 -3.0883 -3.0640 -3.0640 -2.8193 -2.8193 -2.8123 -2.8123 -2.6370 -2.6370 -2.6153 -2.6153 -2.3985 -2.3985 -2.3413 -2.3413 -1.9943 -1.9943 -1.9885 -1.9885 -0.7467 -0.7467 -0.7210 -0.7210 -0.5211 -0.5211 -0.5073 -0.5073 -0.1858 -0.1858 -0.1385 -0.1385 0.0615 0.0615 0.1339 0.1339 4.4106 4.4106 4.4116 4.4116 5.1521 5.1521 5.1539 5.1539 6.1518 6.1518 6.1620 6.1620 k = 0.5000 0.4499 0.4098 ( 13934 PWs) bands (ev): -11.2647 -11.2647 -11.2645 -11.2645 -11.2438 -11.2438 -11.2438 -11.2438 -7.5283 -7.5283 -7.5275 -7.5275 -7.4072 -7.4072 -7.4043 -7.4043 -3.4125 -3.4125 -3.3750 -3.3750 -3.0711 -3.0711 -3.0456 -3.0456 -2.8129 -2.8129 -2.8034 -2.8034 -2.6286 -2.6286 -2.6064 -2.6064 -2.3945 -2.3945 -2.3397 -2.3397 -1.9885 -1.9885 -1.9823 -1.9823 -0.7388 -0.7388 -0.7025 -0.7025 -0.5068 -0.5068 -0.4998 -0.4998 -0.1643 -0.1643 -0.1246 -0.1246 0.0716 0.0716 0.1417 0.1417 4.4300 4.4300 4.4316 4.4316 5.1589 5.1589 5.1598 5.1598 6.1698 6.1698 6.1828 6.1828 k = 0.5000 0.4234 0.4098 ( 13930 PWs) bands (ev): -11.2694 -11.2694 -11.2691 -11.2691 -11.2494 -11.2494 -11.2493 -11.2493 -7.5303 -7.5303 -7.5295 -7.5295 -7.4141 -7.4141 -7.4113 -7.4113 -3.4028 -3.4028 -3.3657 -3.3657 -3.0547 -3.0547 -3.0281 -3.0281 -2.8052 -2.8052 -2.7932 -2.7932 -2.6194 -2.6194 -2.5962 -2.5962 -2.3897 -2.3897 -2.3382 -2.3382 -1.9831 -1.9831 -1.9763 -1.9763 -0.7305 -0.7305 -0.6840 -0.6840 -0.4932 -0.4932 -0.4922 -0.4922 -0.1420 -0.1420 -0.1103 -0.1103 0.0813 0.0813 0.1492 0.1492 4.4500 4.4500 4.4525 4.4525 5.1654 5.1654 5.1654 5.1654 6.1829 6.1829 6.1988 6.1988 k = 0.5000 0.3970 0.4098 ( 13936 PWs) bands (ev): -11.2739 -11.2739 -11.2736 -11.2736 -11.2548 -11.2548 -11.2548 -11.2548 -7.5321 -7.5321 -7.5314 -7.5314 -7.4212 -7.4212 -7.4184 -7.4184 -3.3943 -3.3943 -3.3577 -3.3577 -3.0393 -3.0393 -3.0119 -3.0119 -2.7963 -2.7963 -2.7819 -2.7819 -2.6097 -2.6097 -2.5848 -2.5848 -2.3843 -2.3843 -2.3366 -2.3366 -1.9780 -1.9780 -1.9707 -1.9707 -0.7219 -0.7219 -0.6654 -0.6654 -0.4847 -0.4847 -0.4805 -0.4805 -0.1190 -0.1190 -0.0958 -0.0958 0.0905 0.0905 0.1562 0.1562 4.4706 4.4706 4.4740 4.4740 5.1707 5.1707 5.1717 5.1717 6.1901 6.1901 6.2089 6.2089 k = 0.5000 0.3705 0.4098 ( 13938 PWs) bands (ev): -11.2783 -11.2783 -11.2780 -11.2780 -11.2602 -11.2602 -11.2602 -11.2602 -7.5338 -7.5338 -7.5330 -7.5330 -7.4282 -7.4282 -7.4255 -7.4255 -3.3870 -3.3870 -3.3509 -3.3509 -3.0251 -3.0251 -2.9971 -2.9971 -2.7861 -2.7861 -2.7695 -2.7695 -2.5995 -2.5995 -2.5724 -2.5724 -2.3779 -2.3779 -2.3349 -2.3349 -1.9733 -1.9733 -1.9654 -1.9654 -0.7129 -0.7129 -0.6471 -0.6471 -0.4773 -0.4773 -0.4686 -0.4686 -0.0954 -0.0954 -0.0812 -0.0812 0.0992 0.0992 0.1629 0.1629 4.4914 4.4914 4.4960 4.4960 5.1758 5.1758 5.1777 5.1777 6.1905 6.1905 6.2122 6.2122 k = 0.5000 0.3440 0.4098 ( 13938 PWs) bands (ev): -11.2825 -11.2825 -11.2822 -11.2822 -11.2655 -11.2655 -11.2654 -11.2654 -7.5352 -7.5352 -7.5345 -7.5345 -7.4352 -7.4352 -7.4325 -7.4325 -3.3809 -3.3809 -3.3453 -3.3453 -3.0120 -3.0120 -2.9838 -2.9838 -2.7748 -2.7748 -2.7562 -2.7562 -2.5894 -2.5894 -2.5593 -2.5593 -2.3706 -2.3706 -2.3330 -2.3330 -1.9692 -1.9692 -1.9604 -1.9604 -0.7038 -0.7038 -0.6290 -0.6290 -0.4701 -0.4701 -0.4579 -0.4579 -0.0716 -0.0716 -0.0667 -0.0667 0.1074 0.1074 0.1692 0.1692 4.5123 4.5123 4.5183 4.5183 5.1805 5.1805 5.1834 5.1834 6.1834 6.1834 6.2075 6.2075 k = 0.5000 0.3176 0.4098 ( 13938 PWs) bands (ev): -11.2866 -11.2866 -11.2863 -11.2863 -11.2706 -11.2706 -11.2705 -11.2705 -7.5364 -7.5364 -7.5357 -7.5357 -7.4421 -7.4421 -7.4395 -7.4395 -3.3760 -3.3760 -3.3409 -3.3409 -3.0002 -3.0002 -2.9720 -2.9720 -2.7624 -2.7624 -2.7421 -2.7421 -2.5796 -2.5796 -2.5458 -2.5458 -2.3622 -2.3622 -2.3306 -2.3306 -1.9656 -1.9656 -1.9559 -1.9559 -0.6945 -0.6945 -0.6114 -0.6114 -0.4632 -0.4632 -0.4483 -0.4483 -0.0523 -0.0523 -0.0478 -0.0478 0.1151 0.1151 0.1751 0.1751 4.5331 4.5331 4.5405 4.5405 5.1850 5.1850 5.1888 5.1888 6.1682 6.1682 6.1942 6.1942 k = 0.5000 0.2911 0.4098 ( 13936 PWs) bands (ev): -11.2904 -11.2904 -11.2901 -11.2901 -11.2754 -11.2754 -11.2754 -11.2754 -7.5374 -7.5374 -7.5367 -7.5367 -7.4488 -7.4488 -7.4463 -7.4463 -3.3722 -3.3722 -3.3376 -3.3376 -2.9898 -2.9898 -2.9618 -2.9618 -2.7492 -2.7492 -2.7274 -2.7274 -2.5705 -2.5705 -2.5325 -2.5325 -2.3528 -2.3528 -2.3277 -2.3277 -1.9625 -1.9625 -1.9518 -1.9518 -0.6852 -0.6852 -0.5942 -0.5942 -0.4569 -0.4569 -0.4398 -0.4398 -0.0382 -0.0382 -0.0242 -0.0242 0.1222 0.1222 0.1804 0.1804 4.5535 4.5535 4.5625 4.5625 5.1893 5.1893 5.1939 5.1939 6.1454 6.1454 6.1721 6.1721 k = 0.5000 0.2646 0.4098 ( 13938 PWs) bands (ev): -11.2939 -11.2939 -11.2936 -11.2936 -11.2800 -11.2800 -11.2800 -11.2800 -7.5382 -7.5382 -7.5375 -7.5375 -7.4553 -7.4553 -7.4529 -7.4529 -3.3693 -3.3693 -3.3352 -3.3352 -2.9806 -2.9806 -2.9531 -2.9531 -2.7354 -2.7354 -2.7123 -2.7123 -2.5625 -2.5625 -2.5199 -2.5199 -2.3424 -2.3424 -2.3239 -2.3239 -1.9601 -1.9601 -1.9483 -1.9483 -0.6760 -0.6760 -0.5777 -0.5777 -0.4513 -0.4513 -0.4326 -0.4326 -0.0247 -0.0247 -0.0011 -0.0011 0.1287 0.1287 0.1851 0.1851 4.5732 4.5732 4.5840 4.5840 5.1932 5.1932 5.1988 5.1988 6.1162 6.1162 6.1426 6.1426 k = 0.5000 0.2382 0.4098 ( 13938 PWs) bands (ev): -11.2971 -11.2971 -11.2968 -11.2968 -11.2844 -11.2844 -11.2843 -11.2843 -7.5387 -7.5387 -7.5381 -7.5381 -7.4616 -7.4616 -7.4592 -7.4592 -3.3672 -3.3672 -3.3335 -3.3335 -2.9726 -2.9726 -2.9457 -2.9457 -2.7213 -2.7213 -2.6972 -2.6972 -2.5558 -2.5558 -2.5086 -2.5086 -2.3311 -2.3311 -2.3191 -2.3191 -1.9583 -1.9583 -1.9452 -1.9452 -0.6670 -0.6670 -0.5619 -0.5619 -0.4464 -0.4464 -0.4266 -0.4266 -0.0116 -0.0116 0.0214 0.0214 0.1346 0.1346 0.1892 0.1892 4.5922 4.5922 4.6048 4.6048 5.1970 5.1970 5.2034 5.2034 6.0829 6.0829 6.1077 6.1077 k = 0.5000 0.2117 0.4098 ( 13934 PWs) bands (ev): -11.3000 -11.3000 -11.2997 -11.2997 -11.2884 -11.2884 -11.2884 -11.2884 -7.5390 -7.5390 -7.5384 -7.5384 -7.4675 -7.4675 -7.4652 -7.4652 -3.3658 -3.3658 -3.3325 -3.3325 -2.9658 -2.9658 -2.9395 -2.9395 -2.7073 -2.7073 -2.6821 -2.6821 -2.5506 -2.5506 -2.4990 -2.4990 -2.3193 -2.3193 -2.3131 -2.3131 -1.9572 -1.9572 -1.9427 -1.9427 -0.6583 -0.6583 -0.5468 -0.5468 -0.4425 -0.4425 -0.4217 -0.4217 0.0006 0.0006 0.0428 0.0428 0.1398 0.1398 0.1927 0.1927 4.6101 4.6101 4.6246 4.6246 5.2005 5.2005 5.2077 5.2077 6.0477 6.0477 6.0702 6.0702 k = 0.5000 0.1852 0.4098 ( 13934 PWs) bands (ev): -11.3025 -11.3025 -11.3022 -11.3022 -11.2921 -11.2921 -11.2920 -11.2920 -7.5391 -7.5391 -7.5385 -7.5385 -7.4730 -7.4730 -7.4708 -7.4708 -3.3649 -3.3649 -3.3320 -3.3320 -2.9601 -2.9601 -2.9345 -2.9345 -2.6935 -2.6935 -2.6675 -2.6675 -2.5468 -2.5468 -2.4914 -2.4914 -2.3073 -2.3073 -2.3062 -2.3062 -1.9566 -1.9566 -1.9407 -1.9407 -0.6500 -0.6500 -0.5325 -0.5325 -0.4397 -0.4397 -0.4180 -0.4180 0.0121 0.0121 0.0630 0.0630 0.1443 0.1443 0.1953 0.1953 4.6268 4.6268 4.6432 4.6432 5.2038 5.2038 5.2117 5.2117 6.0126 6.0126 6.0324 6.0324 k = 0.5000 0.1588 0.4098 ( 13938 PWs) bands (ev): -11.3047 -11.3047 -11.3044 -11.3044 -11.2954 -11.2954 -11.2953 -11.2953 -7.5389 -7.5389 -7.5384 -7.5384 -7.4781 -7.4781 -7.4760 -7.4760 -3.3644 -3.3644 -3.3319 -3.3319 -2.9554 -2.9554 -2.9304 -2.9304 -2.6803 -2.6803 -2.6536 -2.6536 -2.5444 -2.5444 -2.4859 -2.4859 -2.2985 -2.2985 -2.2955 -2.2955 -1.9565 -1.9565 -1.9392 -1.9392 -0.6424 -0.6424 -0.5191 -0.5191 -0.4381 -0.4381 -0.4152 -0.4152 0.0225 0.0225 0.0817 0.0817 0.1481 0.1481 0.1971 0.1971 4.6419 4.6419 4.6601 4.6601 5.2069 5.2069 5.2154 5.2154 5.9794 5.9794 5.9963 5.9963 k = 0.5000 0.1323 0.4098 ( 13932 PWs) bands (ev): -11.3065 -11.3065 -11.3063 -11.3063 -11.2983 -11.2983 -11.2982 -11.2982 -7.5386 -7.5386 -7.5382 -7.5382 -7.4827 -7.4827 -7.4806 -7.4806 -3.3642 -3.3642 -3.3320 -3.3320 -2.9516 -2.9516 -2.9272 -2.9272 -2.6680 -2.6680 -2.6408 -2.6408 -2.5433 -2.5433 -2.4825 -2.4825 -2.2905 -2.2905 -2.2845 -2.2845 -1.9568 -1.9568 -1.9380 -1.9380 -0.6354 -0.6354 -0.5065 -0.5065 -0.4377 -0.4377 -0.4133 -0.4133 0.0317 0.0317 0.0987 0.0987 0.1513 0.1513 0.1980 0.1980 4.6552 4.6552 4.6751 4.6751 5.2097 5.2097 5.2186 5.2186 5.9494 5.9494 5.9635 5.9635 k = 0.5000 0.1059 0.4098 ( 13940 PWs) bands (ev): -11.3079 -11.3079 -11.3077 -11.3077 -11.3007 -11.3007 -11.3007 -11.3007 -7.5382 -7.5382 -7.5378 -7.5378 -7.4867 -7.4867 -7.4846 -7.4846 -3.3642 -3.3642 -3.3322 -3.3322 -2.9486 -2.9486 -2.9247 -2.9247 -2.6571 -2.6571 -2.6294 -2.6294 -2.5432 -2.5432 -2.4807 -2.4807 -2.2828 -2.2828 -2.2747 -2.2747 -1.9574 -1.9574 -1.9373 -1.9373 -0.6294 -0.6294 -0.4949 -0.4949 -0.4386 -0.4386 -0.4120 -0.4120 0.0396 0.0396 0.1137 0.1137 0.1537 0.1537 0.1981 0.1981 4.6665 4.6665 4.6880 4.6880 5.2121 5.2121 5.2214 5.2214 5.9236 5.9236 5.9351 5.9351 k = 0.5000 0.0794 0.4098 ( 13946 PWs) bands (ev): -11.3090 -11.3090 -11.3088 -11.3088 -11.3027 -11.3027 -11.3027 -11.3027 -7.5378 -7.5378 -7.5374 -7.5374 -7.4899 -7.4899 -7.4879 -7.4879 -3.3643 -3.3643 -3.3324 -3.3324 -2.9464 -2.9464 -2.9228 -2.9228 -2.6479 -2.6479 -2.6199 -2.6199 -2.5438 -2.5438 -2.4800 -2.4800 -2.2760 -2.2760 -2.2666 -2.2666 -1.9581 -1.9581 -1.9369 -1.9369 -0.6245 -0.6245 -0.4843 -0.4843 -0.4408 -0.4408 -0.4113 -0.4113 0.0459 0.0459 0.1263 0.1263 0.1555 0.1555 0.1974 0.1974 4.6756 4.6756 4.6983 4.6983 5.2141 5.2141 5.2237 5.2237 5.9028 5.9028 5.9121 5.9121 k = 0.5000 0.0529 0.4098 ( 13930 PWs) bands (ev): -11.3097 -11.3097 -11.3095 -11.3095 -11.3042 -11.3042 -11.3042 -11.3042 -7.5373 -7.5373 -7.5369 -7.5369 -7.4923 -7.4923 -7.4903 -7.4903 -3.3644 -3.3644 -3.3327 -3.3327 -2.9448 -2.9448 -2.9215 -2.9215 -2.6407 -2.6407 -2.6126 -2.6126 -2.5446 -2.5446 -2.4801 -2.4801 -2.2706 -2.2706 -2.2605 -2.2605 -1.9588 -1.9588 -1.9366 -1.9366 -0.6208 -0.6208 -0.4750 -0.4750 -0.4440 -0.4440 -0.4109 -0.4109 0.0506 0.0506 0.1362 0.1362 0.1567 0.1567 0.1961 0.1961 4.6822 4.6822 4.7059 4.7059 5.2156 5.2156 5.2254 5.2254 5.8875 5.8875 5.8952 5.8952 k = 0.5000 0.0265 0.4098 ( 13930 PWs) bands (ev): -11.3101 -11.3101 -11.3099 -11.3099 -11.3052 -11.3052 -11.3051 -11.3051 -7.5371 -7.5371 -7.5367 -7.5367 -7.4938 -7.4938 -7.4918 -7.4918 -3.3645 -3.3645 -3.3328 -3.3328 -2.9439 -2.9439 -2.9208 -2.9208 -2.6362 -2.6362 -2.6081 -2.6081 -2.5454 -2.5454 -2.4804 -2.4804 -2.2673 -2.2673 -2.2567 -2.2567 -1.9592 -1.9592 -1.9365 -1.9365 -0.6186 -0.6186 -0.4675 -0.4675 -0.4479 -0.4479 -0.4108 -0.4108 0.0535 0.0535 0.1427 0.1427 0.1574 0.1574 0.1950 0.1950 4.6863 4.6863 4.7106 4.7106 5.2165 5.2165 5.2264 5.2264 5.8782 5.8782 5.8848 5.8848 k = 0.5000-0.0000 0.4098 ( 13932 PWs) bands (ev): -11.3102 -11.3102 -11.3101 -11.3101 -11.3055 -11.3055 -11.3054 -11.3054 -7.5370 -7.5370 -7.5365 -7.5365 -7.4943 -7.4943 -7.4923 -7.4923 -3.3645 -3.3645 -3.3329 -3.3329 -2.9436 -2.9436 -2.9205 -2.9205 -2.6347 -2.6347 -2.6065 -2.6065 -2.5457 -2.5457 -2.4805 -2.4805 -2.2661 -2.2661 -2.2554 -2.2554 -1.9594 -1.9594 -1.9365 -1.9365 -0.6178 -0.6178 -0.4640 -0.4640 -0.4502 -0.4502 -0.4107 -0.4107 0.0545 0.0545 0.1450 0.1450 0.1577 0.1577 0.1944 0.1944 4.6877 4.6877 4.7121 4.7121 5.2168 5.2168 5.2267 5.2267 5.8751 5.8751 5.8813 5.8813 k = 0.5000-0.0000 0.4098 ( 13932 PWs) bands (ev): -11.3102 -11.3102 -11.3101 -11.3101 -11.3055 -11.3055 -11.3054 -11.3054 -7.5370 -7.5370 -7.5365 -7.5365 -7.4943 -7.4943 -7.4923 -7.4923 -3.3645 -3.3645 -3.3329 -3.3329 -2.9436 -2.9436 -2.9205 -2.9205 -2.6347 -2.6347 -2.6065 -2.6065 -2.5457 -2.5457 -2.4805 -2.4805 -2.2661 -2.2661 -2.2554 -2.2554 -1.9594 -1.9594 -1.9365 -1.9365 -0.6178 -0.6178 -0.4640 -0.4640 -0.4502 -0.4502 -0.4107 -0.4107 0.0545 0.0545 0.1450 0.1450 0.1577 0.1577 0.1944 0.1944 4.6877 4.6877 4.7121 4.7121 5.2168 5.2168 5.2267 5.2267 5.8751 5.8751 5.8813 5.8813 k = 0.5000-0.0000 0.3842 ( 13934 PWs) bands (ev): -11.3120 -11.3120 -11.3118 -11.3118 -11.3037 -11.3037 -11.3036 -11.3036 -7.5386 -7.5386 -7.5383 -7.5383 -7.4926 -7.4926 -7.4907 -7.4907 -3.3641 -3.3641 -3.3326 -3.3326 -2.9436 -2.9436 -2.9207 -2.9207 -2.6346 -2.6346 -2.6065 -2.6065 -2.5454 -2.5454 -2.4804 -2.4804 -2.2677 -2.2677 -2.2568 -2.2568 -1.9582 -1.9582 -1.9355 -1.9355 -0.6185 -0.6185 -0.4741 -0.4741 -0.4404 -0.4404 -0.4098 -0.4098 0.0544 0.0544 0.1441 0.1441 0.1583 0.1583 0.1953 0.1953 4.6839 4.6839 4.7079 4.7079 5.2194 5.2194 5.2290 5.2290 5.8752 5.8752 5.8815 5.8815 k = 0.5000-0.0000 0.3586 ( 13936 PWs) bands (ev): -11.3150 -11.3150 -11.3149 -11.3149 -11.3007 -11.3007 -11.3005 -11.3005 -7.5430 -7.5430 -7.5429 -7.5429 -7.4880 -7.4880 -7.4863 -7.4863 -3.3629 -3.3629 -3.3317 -3.3317 -2.9439 -2.9439 -2.9214 -2.9214 -2.6343 -2.6343 -2.6066 -2.6066 -2.5445 -2.5445 -2.4801 -2.4801 -2.2725 -2.2725 -2.2612 -2.2612 -1.9549 -1.9549 -1.9326 -1.9326 -0.6203 -0.6203 -0.4890 -0.4890 -0.4262 -0.4262 -0.4071 -0.4071 0.0542 0.0542 0.1418 0.1418 0.1603 0.1603 0.1976 0.1976 4.6728 4.6728 4.6957 4.6957 5.2268 5.2268 5.2353 5.2353 5.8757 5.8757 5.8820 5.8820 k = 0.5000-0.0000 0.3330 ( 13940 PWs) bands (ev): -11.3182 -11.3182 -11.3180 -11.3180 -11.2974 -11.2974 -11.2973 -11.2973 -7.5490 -7.5490 -7.5489 -7.5489 -7.4819 -7.4819 -7.4804 -7.4804 -3.3608 -3.3608 -3.3303 -3.3303 -2.9442 -2.9442 -2.9225 -2.9225 -2.6338 -2.6338 -2.6067 -2.6067 -2.5431 -2.5431 -2.4797 -2.4797 -2.2801 -2.2801 -2.2680 -2.2680 -1.9497 -1.9497 -1.9282 -1.9282 -0.6232 -0.6232 -0.5042 -0.5042 -0.4122 -0.4122 -0.4028 -0.4028 0.0540 0.0540 0.1384 0.1384 0.1634 0.1634 0.2010 0.2010 4.6556 4.6556 4.6767 4.6767 5.2378 5.2378 5.2450 5.2450 5.8766 5.8766 5.8830 5.8830 k = 0.5000-0.0000 0.3074 ( 13932 PWs) bands (ev): -11.3213 -11.3213 -11.3211 -11.3211 -11.2943 -11.2943 -11.2941 -11.2941 -7.5558 -7.5558 -7.5556 -7.5556 -7.4751 -7.4751 -7.4738 -7.4738 -3.3580 -3.3580 -3.3283 -3.3283 -2.9447 -2.9447 -2.9241 -2.9241 -2.6330 -2.6330 -2.6068 -2.6068 -2.5412 -2.5412 -2.4790 -2.4790 -2.2898 -2.2898 -2.2769 -2.2769 -1.9431 -1.9431 -1.9227 -1.9227 -0.6267 -0.6267 -0.5193 -0.5193 -0.3988 -0.3988 -0.3972 -0.3972 0.0538 0.0538 0.1342 0.1342 0.1676 0.1676 0.2051 0.2051 4.6336 4.6336 4.6527 4.6527 5.2511 5.2511 5.2567 5.2567 5.8780 5.8780 5.8845 5.8845 k = 0.5000-0.0000 0.2817 ( 13944 PWs) bands (ev): -11.3243 -11.3243 -11.3241 -11.3241 -11.2912 -11.2912 -11.2910 -11.2910 -7.5628 -7.5628 -7.5626 -7.5626 -7.4682 -7.4682 -7.4670 -7.4670 -3.3546 -3.3546 -3.3259 -3.3259 -2.9455 -2.9455 -2.9261 -2.9261 -2.6319 -2.6319 -2.6070 -2.6070 -2.5388 -2.5388 -2.4783 -2.4783 -2.3013 -2.3013 -2.2874 -2.2874 -1.9356 -1.9356 -1.9163 -1.9163 -0.6307 -0.6307 -0.5340 -0.5340 -0.3906 -0.3906 -0.3862 -0.3862 0.0538 0.0538 0.1295 0.1295 0.1726 0.1726 0.2095 0.2095 4.6084 4.6084 4.6252 4.6252 5.2653 5.2653 5.2693 5.2693 5.8798 5.8798 5.8863 5.8863 k = 0.5000-0.0000 0.2561 ( 13936 PWs) bands (ev): -11.3271 -11.3271 -11.3270 -11.3270 -11.2882 -11.2882 -11.2881 -11.2881 -7.5697 -7.5697 -7.5694 -7.5694 -7.4613 -7.4613 -7.4602 -7.4602 -3.3505 -3.3505 -3.3231 -3.3231 -2.9464 -2.9464 -2.9286 -2.9286 -2.6305 -2.6305 -2.6071 -2.6071 -2.5360 -2.5360 -2.4775 -2.4775 -2.3137 -2.3137 -2.2989 -2.2989 -1.9277 -1.9277 -1.9097 -1.9097 -0.6348 -0.6348 -0.5482 -0.5482 -0.3833 -0.3833 -0.3746 -0.3746 0.0540 0.0540 0.1246 0.1246 0.1783 0.1783 0.2140 0.2140 4.5812 4.5812 4.5960 4.5960 5.2793 5.2793 5.2820 5.2820 5.8822 5.8822 5.8886 5.8886 k = 0.5000-0.0000 0.2305 ( 13926 PWs) bands (ev): -11.3298 -11.3298 -11.3297 -11.3297 -11.2854 -11.2854 -11.2853 -11.2853 -7.5762 -7.5762 -7.5760 -7.5760 -7.4547 -7.4547 -7.4537 -7.4537 -3.3458 -3.3458 -3.3201 -3.3201 -2.9475 -2.9475 -2.9314 -2.9314 -2.6288 -2.6288 -2.6071 -2.6071 -2.5328 -2.5328 -2.4767 -2.4767 -2.3266 -2.3266 -2.3109 -2.3109 -1.9197 -1.9197 -1.9031 -1.9031 -0.6388 -0.6388 -0.5618 -0.5618 -0.3757 -0.3757 -0.3640 -0.3640 0.0544 0.0544 0.1195 0.1195 0.1845 0.1845 0.2184 0.2184 4.5534 4.5534 4.5662 4.5662 5.2923 5.2923 5.2939 5.2939 5.8849 5.8849 5.8912 5.8912 k = 0.5000-0.0000 0.2049 ( 13922 PWs) bands (ev): -11.3322 -11.3322 -11.3321 -11.3321 -11.2828 -11.2828 -11.2827 -11.2827 -7.5824 -7.5824 -7.5821 -7.5821 -7.4486 -7.4486 -7.4477 -7.4477 -3.3408 -3.3408 -3.3170 -3.3170 -2.9489 -2.9489 -2.9347 -2.9347 -2.6268 -2.6268 -2.6072 -2.6072 -2.5292 -2.5292 -2.4761 -2.4761 -2.3394 -2.3394 -2.3231 -2.3231 -1.9120 -1.9120 -1.8969 -1.8969 -0.6423 -0.6423 -0.5745 -0.5745 -0.3681 -0.3681 -0.3546 -0.3546 0.0553 0.0553 0.1144 0.1144 0.1909 0.1909 0.2225 0.2225 4.5261 4.5261 4.5370 4.5370 5.3039 5.3039 5.3046 5.3046 5.8879 5.8879 5.8940 5.8940 k = 0.5000-0.0000 0.1793 ( 13918 PWs) bands (ev): -11.3344 -11.3344 -11.3344 -11.3344 -11.2805 -11.2805 -11.2804 -11.2804 -7.5881 -7.5881 -7.5878 -7.5878 -7.4429 -7.4429 -7.4421 -7.4421 -3.3356 -3.3356 -3.3139 -3.3139 -2.9504 -2.9504 -2.9381 -2.9381 -2.6246 -2.6246 -2.6072 -2.6072 -2.5252 -2.5252 -2.4756 -2.4756 -2.3517 -2.3517 -2.3351 -2.3351 -1.9048 -1.9048 -1.8912 -1.8912 -0.6453 -0.6453 -0.5864 -0.5864 -0.3605 -0.3605 -0.3464 -0.3464 0.0565 0.0565 0.1093 0.1093 0.1974 0.1974 0.2261 0.2261 4.5002 4.5002 4.5094 4.5094 5.3138 5.3138 5.3140 5.3140 5.8911 5.8911 5.8968 5.8968 k = 0.5000-0.0000 0.1537 ( 13922 PWs) bands (ev): -11.3364 -11.3364 -11.3363 -11.3363 -11.2784 -11.2784 -11.2783 -11.2783 -7.5931 -7.5931 -7.5929 -7.5929 -7.4379 -7.4379 -7.4372 -7.4372 -3.3302 -3.3302 -3.3109 -3.3109 -2.9520 -2.9520 -2.9417 -2.9417 -2.6221 -2.6221 -2.6072 -2.6072 -2.5210 -2.5210 -2.4755 -2.4755 -2.3631 -2.3631 -2.3465 -2.3465 -1.8982 -1.8982 -1.8863 -1.8863 -0.6475 -0.6475 -0.5973 -0.5973 -0.3534 -0.3534 -0.3396 -0.3396 0.0582 0.0582 0.1042 0.1042 0.2038 0.2038 0.2292 0.2292 4.4763 4.4763 4.4840 4.4840 5.3218 5.3218 5.3220 5.3220 5.8944 5.8944 5.8995 5.8995 k = 0.5000-0.0000 0.1281 ( 13916 PWs) bands (ev): -11.3381 -11.3381 -11.3380 -11.3380 -11.2766 -11.2766 -11.2765 -11.2765 -7.5975 -7.5975 -7.5973 -7.5973 -7.4335 -7.4335 -7.4329 -7.4329 -3.3250 -3.3250 -3.3083 -3.3083 -2.9536 -2.9536 -2.9452 -2.9452 -2.6197 -2.6197 -2.6072 -2.6072 -2.5164 -2.5164 -2.4760 -2.4760 -2.3729 -2.3729 -2.3571 -2.3571 -1.8924 -1.8924 -1.8823 -1.8823 -0.6489 -0.6489 -0.6073 -0.6073 -0.3467 -0.3467 -0.3340 -0.3340 0.0602 0.0602 0.0992 0.0992 0.2099 0.2099 0.2316 0.2316 4.4553 4.4553 4.4614 4.4614 5.3282 5.3282 5.3286 5.3286 5.8975 5.8975 5.9020 5.9020 k = 0.5000-0.0000 0.1025 ( 13914 PWs) bands (ev): -11.3395 -11.3395 -11.3394 -11.3394 -11.2751 -11.2751 -11.2750 -11.2750 -7.6011 -7.6011 -7.6009 -7.6009 -7.4298 -7.4298 -7.4294 -7.4294 -3.3200 -3.3200 -3.3063 -3.3063 -2.9550 -2.9550 -2.9486 -2.9486 -2.6172 -2.6172 -2.6072 -2.6072 -2.5116 -2.5116 -2.4772 -2.4772 -2.3810 -2.3810 -2.3666 -2.3666 -1.8874 -1.8874 -1.8792 -1.8792 -0.6494 -0.6494 -0.6162 -0.6162 -0.3407 -0.3407 -0.3298 -0.3298 0.0627 0.0627 0.0943 0.0943 0.2155 0.2155 0.2333 0.2333 4.4375 4.4375 4.4423 4.4423 5.3332 5.3332 5.3338 5.3338 5.9003 5.9003 5.9040 5.9040 k = 0.5000-0.0000 0.0768 ( 13930 PWs) bands (ev): -11.3406 -11.3406 -11.3406 -11.3406 -11.2739 -11.2739 -11.2738 -11.2738 -7.6040 -7.6040 -7.6038 -7.6038 -7.4269 -7.4269 -7.4266 -7.4266 -3.3154 -3.3154 -3.3049 -3.3049 -2.9562 -2.9562 -2.9515 -2.9515 -2.6149 -2.6149 -2.6075 -2.6075 -2.5066 -2.5066 -2.4794 -2.4794 -2.3869 -2.3869 -2.3749 -2.3749 -1.8832 -1.8832 -1.8770 -1.8770 -0.6489 -0.6489 -0.6240 -0.6240 -0.3356 -0.3356 -0.3269 -0.3269 0.0656 0.0656 0.0896 0.0896 0.2206 0.2206 0.2341 0.2341 4.4233 4.4233 4.4268 4.4268 5.3370 5.3370 5.3375 5.3375 5.9027 5.9027 5.9056 5.9056 k = 0.5000-0.0000 0.0512 ( 13940 PWs) bands (ev): -11.3414 -11.3414 -11.3414 -11.3414 -11.2730 -11.2730 -11.2730 -11.2730 -7.6061 -7.6061 -7.6060 -7.6060 -7.4248 -7.4248 -7.4246 -7.4246 -3.3115 -3.3115 -3.3044 -3.3044 -2.9570 -2.9570 -2.9540 -2.9540 -2.6128 -2.6128 -2.6079 -2.6079 -2.5014 -2.5014 -2.4825 -2.4825 -2.3904 -2.3904 -2.3817 -2.3817 -1.8799 -1.8799 -1.8758 -1.8758 -0.6473 -0.6473 -0.6308 -0.6308 -0.3314 -0.3314 -0.3254 -0.3254 0.0689 0.0689 0.0850 0.0850 0.2250 0.2250 0.2341 0.2341 4.4131 4.4131 4.4155 4.4155 5.3397 5.3397 5.3400 5.3400 5.9046 5.9046 5.9066 5.9066 k = 0.5000-0.0000 0.0256 ( 13928 PWs) bands (ev): -11.3419 -11.3419 -11.3419 -11.3419 -11.2725 -11.2725 -11.2725 -11.2725 -7.6073 -7.6073 -7.6072 -7.6072 -7.4235 -7.4235 -7.4234 -7.4234 -3.3083 -3.3083 -3.3047 -3.3047 -2.9573 -2.9573 -2.9558 -2.9558 -2.6111 -2.6111 -2.6086 -2.6086 -2.4962 -2.4962 -2.4865 -2.4865 -2.3914 -2.3914 -2.3869 -2.3869 -1.8776 -1.8776 -1.8754 -1.8754 -0.6448 -0.6448 -0.6365 -0.6365 -0.3281 -0.3281 -0.3251 -0.3251 0.0725 0.0725 0.0806 0.0806 0.2286 0.2286 0.2331 0.2331 4.4072 4.4072 4.4083 4.4083 5.3413 5.3413 5.3415 5.3415 5.9060 5.9060 5.9070 5.9070 k = 0.5000-0.0000-0.0000 ( 13918 PWs) bands (ev): -11.3420 -11.3420 -11.3420 -11.3420 -11.2723 -11.2723 -11.2723 -11.2723 -7.6077 -7.6077 -7.6077 -7.6077 -7.4231 -7.4231 -7.4230 -7.4230 -3.3061 -3.3061 -3.3060 -3.3060 -2.9569 -2.9569 -2.9568 -2.9568 -2.6097 -2.6097 -2.6096 -2.6096 -2.4911 -2.4911 -2.4911 -2.4911 -2.3902 -2.3902 -2.3902 -2.3902 -1.8761 -1.8761 -1.8760 -1.8760 -0.6412 -0.6412 -0.6412 -0.6412 -0.3260 -0.3260 -0.3260 -0.3260 0.0764 0.0764 0.0764 0.0764 0.2313 0.2313 0.2313 0.2313 4.4055 4.4055 4.4056 4.4056 5.3418 5.3418 5.3419 5.3419 5.9068 5.9068 5.9068 5.9068 k = 0.0000 0.0000 0.4098 ( 13922 PWs) bands (ev): -11.3912 -11.3912 -11.3912 -11.3912 -11.2199 -11.2199 -11.2198 -11.2198 -7.5421 -7.5421 -7.5420 -7.5420 -7.4909 -7.4909 -7.4908 -7.4908 -3.3368 -3.3368 -3.3367 -3.3367 -3.0999 -3.0999 -3.0998 -3.0998 -2.7339 -2.7339 -2.7338 -2.7338 -2.3683 -2.3683 -2.3683 -2.3683 -2.1619 -2.1619 -2.1619 -2.1619 -1.8935 -1.8935 -1.8935 -1.8935 -0.6121 -0.6121 -0.6121 -0.6121 -0.3552 -0.3552 -0.3552 -0.3552 0.1171 0.1171 0.1171 0.1171 0.1937 0.1937 0.1938 0.1938 4.6598 4.6598 4.6598 4.6598 5.1031 5.1031 5.1031 5.1031 5.7877 5.7877 5.7877 5.7877 k = 0.0263-0.0000 0.4098 ( 13916 PWs) bands (ev): -11.3910 -11.3910 -11.3909 -11.3909 -11.2202 -11.2202 -11.2202 -11.2202 -7.5421 -7.5421 -7.5420 -7.5420 -7.4909 -7.4909 -7.4908 -7.4908 -3.3396 -3.3396 -3.3348 -3.3348 -3.1007 -3.1007 -3.0960 -3.0960 -2.7339 -2.7339 -2.7333 -2.7333 -2.3690 -2.3690 -2.3676 -2.3676 -2.1637 -2.1637 -2.1623 -2.1623 -1.8952 -1.8952 -1.8927 -1.8927 -0.6183 -0.6183 -0.6050 -0.6050 -0.3595 -0.3595 -0.3516 -0.3516 0.1115 0.1115 0.1225 0.1225 0.1918 0.1918 0.1954 0.1954 4.6573 4.6573 4.6584 4.6584 5.1062 5.1062 5.1073 5.1073 5.7887 5.7887 5.7887 5.7887 k = 0.0526-0.0000 0.4098 ( 13920 PWs) bands (ev): -11.3901 -11.3901 -11.3901 -11.3901 -11.2211 -11.2211 -11.2211 -11.2211 -7.5421 -7.5421 -7.5419 -7.5419 -7.4910 -7.4910 -7.4907 -7.4907 -3.3431 -3.3431 -3.3338 -3.3338 -3.0986 -3.0986 -3.0894 -3.0894 -2.7334 -2.7334 -2.7323 -2.7323 -2.3698 -2.3698 -2.3670 -2.3670 -2.1677 -2.1677 -2.1650 -2.1650 -1.8978 -1.8978 -1.8928 -1.8928 -0.6236 -0.6236 -0.5972 -0.5972 -0.3645 -0.3645 -0.3488 -0.3488 0.1060 0.1060 0.1278 0.1278 0.1895 0.1895 0.1968 0.1968 4.6514 4.6514 4.6537 4.6537 5.1162 5.1162 5.1183 5.1183 5.7915 5.7915 5.7916 5.7916 k = 0.0789-0.0000 0.4098 ( 13926 PWs) bands (ev): -11.3888 -11.3888 -11.3887 -11.3887 -11.2226 -11.2226 -11.2226 -11.2226 -7.5420 -7.5420 -7.5418 -7.5418 -7.4910 -7.4910 -7.4906 -7.4906 -3.3471 -3.3471 -3.3337 -3.3337 -3.0935 -3.0935 -3.0803 -3.0803 -2.7323 -2.7323 -2.7307 -2.7307 -2.3707 -2.3707 -2.3664 -2.3664 -2.1737 -2.1737 -2.1699 -2.1699 -1.9011 -1.9011 -1.8938 -1.8938 -0.6280 -0.6280 -0.5887 -0.5887 -0.3701 -0.3701 -0.3469 -0.3469 0.1004 0.1004 0.1327 0.1327 0.1870 0.1870 0.1978 0.1978 4.6430 4.6430 4.6466 4.6466 5.1320 5.1320 5.1349 5.1349 5.7960 5.7960 5.7963 5.7963 k = 0.1053-0.0000 0.4098 ( 13922 PWs) bands (ev): -11.3868 -11.3868 -11.3868 -11.3868 -11.2248 -11.2248 -11.2247 -11.2247 -7.5419 -7.5419 -7.5417 -7.5417 -7.4911 -7.4911 -7.4905 -7.4905 -3.3512 -3.3512 -3.3342 -3.3342 -3.0859 -3.0859 -3.0692 -3.0692 -2.7306 -2.7306 -2.7285 -2.7285 -2.3720 -2.3720 -2.3658 -2.3658 -2.1815 -2.1815 -2.1770 -2.1770 -1.9050 -1.9050 -1.8955 -1.8955 -0.6313 -0.6313 -0.5797 -0.5797 -0.3762 -0.3762 -0.3458 -0.3458 0.0950 0.0950 0.1373 0.1373 0.1841 0.1841 0.1986 0.1986 4.6335 4.6335 4.6384 4.6384 5.1518 5.1518 5.1555 5.1555 5.8022 5.8022 5.8026 5.8026 k = 0.1316-0.0000 0.4098 ( 13924 PWs) bands (ev): -11.3844 -11.3844 -11.3844 -11.3844 -11.2275 -11.2275 -11.2274 -11.2274 -7.5417 -7.5417 -7.5415 -7.5415 -7.4912 -7.4912 -7.4905 -7.4905 -3.3552 -3.3552 -3.3352 -3.3352 -3.0761 -3.0761 -3.0566 -3.0566 -2.7283 -2.7283 -2.7258 -2.7258 -2.3739 -2.3739 -2.3655 -2.3655 -2.1908 -2.1908 -2.1859 -2.1859 -1.9094 -1.9094 -1.8980 -1.8980 -0.6337 -0.6337 -0.5703 -0.5703 -0.3828 -0.3828 -0.3456 -0.3456 0.0898 0.0898 0.1414 0.1414 0.1811 0.1811 0.1991 0.1991 4.6239 4.6239 4.6303 4.6303 5.1740 5.1740 5.1784 5.1784 5.8095 5.8095 5.8102 5.8102 k = 0.1579-0.0000 0.4098 ( 13932 PWs) bands (ev): -11.3814 -11.3814 -11.3814 -11.3814 -11.2307 -11.2307 -11.2307 -11.2307 -7.5415 -7.5415 -7.5412 -7.5412 -7.4913 -7.4913 -7.4904 -7.4904 -3.3588 -3.3588 -3.3364 -3.3364 -3.0647 -3.0647 -3.0429 -3.0429 -2.7253 -2.7253 -2.7225 -2.7225 -2.3765 -2.3765 -2.3657 -2.3657 -2.2012 -2.2012 -2.1965 -2.1965 -1.9141 -1.9141 -1.9009 -1.9009 -0.6353 -0.6353 -0.5606 -0.5606 -0.3899 -0.3899 -0.3464 -0.3464 0.0848 0.0848 0.1450 0.1450 0.1779 0.1779 0.1994 0.1994 4.6156 4.6156 4.6235 4.6235 5.1969 5.1969 5.2019 5.2019 5.8178 5.8178 5.8187 5.8187 k = 0.1842-0.0000 0.4098 ( 13936 PWs) bands (ev): -11.3780 -11.3780 -11.3779 -11.3779 -11.2345 -11.2345 -11.2345 -11.2345 -7.5413 -7.5413 -7.5409 -7.5409 -7.4914 -7.4914 -7.4904 -7.4904 -3.3620 -3.3620 -3.3375 -3.3375 -3.0520 -3.0520 -3.0286 -3.0286 -2.7214 -2.7214 -2.7185 -2.7185 -2.3805 -2.3805 -2.3665 -2.3665 -2.2120 -2.2120 -2.2083 -2.2083 -1.9189 -1.9189 -1.9042 -1.9042 -0.6359 -0.6359 -0.5508 -0.5508 -0.3972 -0.3972 -0.3480 -0.3480 0.0801 0.0801 0.1481 0.1481 0.1745 0.1745 0.1995 0.1995 4.6093 4.6093 4.6187 4.6187 5.2188 5.2188 5.2243 5.2243 5.8264 5.8264 5.8277 5.8277 k = 0.2105-0.0000 0.4098 ( 13940 PWs) bands (ev): -11.3740 -11.3740 -11.3740 -11.3740 -11.2388 -11.2388 -11.2388 -11.2388 -7.5410 -7.5410 -7.5406 -7.5406 -7.4916 -7.4916 -7.4905 -7.4905 -3.3645 -3.3645 -3.3384 -3.3384 -3.0387 -3.0387 -3.0140 -3.0140 -2.7167 -2.7167 -2.7137 -2.7137 -2.3861 -2.3861 -2.3685 -2.3685 -2.2227 -2.2227 -2.2205 -2.2205 -1.9239 -1.9239 -1.9077 -1.9077 -0.6358 -0.6358 -0.5409 -0.5409 -0.4047 -0.4047 -0.3506 -0.3506 0.0758 0.0758 0.1506 0.1506 0.1711 0.1711 0.1994 0.1994 4.6056 4.6056 4.6166 4.6166 5.2384 5.2384 5.2444 5.2444 5.8350 5.8350 5.8366 5.8366 k = 0.2368-0.0000 0.4098 ( 13950 PWs) bands (ev): -11.3696 -11.3696 -11.3696 -11.3696 -11.2436 -11.2436 -11.2435 -11.2435 -7.5406 -7.5406 -7.5402 -7.5402 -7.4918 -7.4918 -7.4906 -7.4906 -3.3663 -3.3663 -3.3389 -3.3389 -3.0252 -3.0252 -2.9996 -2.9996 -2.7110 -2.7110 -2.7083 -2.7083 -2.3939 -2.3939 -2.3721 -2.3721 -2.2325 -2.2325 -2.2324 -2.2324 -1.9288 -1.9288 -1.9114 -1.9114 -0.6350 -0.6350 -0.5310 -0.5310 -0.4123 -0.4123 -0.3540 -0.3540 0.0718 0.0718 0.1527 0.1527 0.1676 0.1676 0.1991 0.1991 4.6048 4.6048 4.6176 4.6176 5.2544 5.2544 5.2609 5.2609 5.8429 5.8429 5.8450 5.8450 k = 0.2632-0.0000 0.4098 ( 13950 PWs) bands (ev): -11.3648 -11.3648 -11.3648 -11.3648 -11.2488 -11.2488 -11.2487 -11.2487 -7.5402 -7.5402 -7.5398 -7.5398 -7.4921 -7.4921 -7.4907 -7.4907 -3.3675 -3.3675 -3.3391 -3.3391 -3.0118 -3.0118 -2.9856 -2.9856 -2.7042 -2.7042 -2.7020 -2.7020 -2.4042 -2.4042 -2.3780 -2.3780 -2.2433 -2.2433 -2.2407 -2.2407 -1.9336 -1.9336 -1.9151 -1.9151 -0.6337 -0.6337 -0.5212 -0.5212 -0.4199 -0.4199 -0.3583 -0.3583 0.0683 0.0683 0.1542 0.1542 0.1641 0.1641 0.1987 0.1987 4.6073 4.6073 4.6217 4.6217 5.2658 5.2658 5.2727 5.2727 5.8498 5.8498 5.8525 5.8525 k = 0.2895-0.0000 0.4098 ( 13938 PWs) bands (ev): -11.3596 -11.3596 -11.3596 -11.3596 -11.2543 -11.2543 -11.2543 -11.2543 -7.5397 -7.5397 -7.5393 -7.5393 -7.4924 -7.4924 -7.4909 -7.4909 -3.3680 -3.3680 -3.3388 -3.3388 -2.9989 -2.9989 -2.9726 -2.9726 -2.6962 -2.6962 -2.6949 -2.6949 -2.4172 -2.4172 -2.3867 -2.3867 -2.2522 -2.2522 -2.2470 -2.2470 -1.9382 -1.9382 -1.9188 -1.9188 -0.6319 -0.6319 -0.5114 -0.5114 -0.4274 -0.4274 -0.3634 -0.3634 0.0652 0.0652 0.1554 0.1554 0.1608 0.1608 0.1982 0.1982 4.6128 4.6128 4.6288 4.6288 5.2720 5.2720 5.2794 5.2794 5.8556 5.8556 5.8588 5.8588 k = 0.3158-0.0000 0.4098 ( 13950 PWs) bands (ev): -11.3540 -11.3540 -11.3540 -11.3540 -11.2603 -11.2603 -11.2602 -11.2602 -7.5392 -7.5392 -7.5388 -7.5388 -7.4927 -7.4927 -7.4911 -7.4911 -3.3681 -3.3681 -3.3382 -3.3382 -2.9868 -2.9868 -2.9607 -2.9607 -2.6870 -2.6870 -2.6869 -2.6869 -2.4326 -2.4326 -2.3981 -2.3981 -2.2587 -2.2587 -2.2515 -2.2515 -1.9425 -1.9425 -1.9223 -1.9223 -0.6298 -0.6298 -0.5018 -0.5018 -0.4346 -0.4346 -0.3692 -0.3692 0.0625 0.0625 0.1563 0.1563 0.1575 0.1575 0.1977 0.1977 4.6212 4.6212 4.6387 4.6387 5.2727 5.2727 5.2807 5.2807 5.8602 5.8602 5.8640 5.8640 k = 0.3421-0.0000 0.4098 ( 13936 PWs) bands (ev): -11.3481 -11.3481 -11.3481 -11.3481 -11.2665 -11.2665 -11.2665 -11.2665 -7.5387 -7.5387 -7.5383 -7.5383 -7.4930 -7.4930 -7.4913 -7.4913 -3.3678 -3.3678 -3.3373 -3.3373 -2.9759 -2.9759 -2.9501 -2.9501 -2.6782 -2.6782 -2.6764 -2.6764 -2.4499 -2.4499 -2.4118 -2.4118 -2.2629 -2.2629 -2.2542 -2.2542 -1.9466 -1.9466 -1.9257 -1.9257 -0.6274 -0.6274 -0.4923 -0.4923 -0.4414 -0.4414 -0.3756 -0.3756 0.0602 0.0602 0.1545 0.1545 0.1568 0.1568 0.1970 0.1970 4.6318 4.6318 4.6508 4.6508 5.2684 5.2684 5.2769 5.2769 5.8639 5.8639 5.8683 5.8683 k = 0.3684-0.0000 0.4098 ( 13940 PWs) bands (ev): -11.3419 -11.3419 -11.3419 -11.3419 -11.2730 -11.2730 -11.2730 -11.2730 -7.5383 -7.5383 -7.5379 -7.5379 -7.4934 -7.4934 -7.4916 -7.4916 -3.3672 -3.3672 -3.3363 -3.3363 -2.9663 -2.9663 -2.9411 -2.9411 -2.6690 -2.6690 -2.6645 -2.6645 -2.4686 -2.4686 -2.4270 -2.4270 -2.2653 -2.2653 -2.2556 -2.2556 -1.9502 -1.9502 -1.9287 -1.9287 -0.6251 -0.6251 -0.4831 -0.4831 -0.4477 -0.4477 -0.3824 -0.3824 0.0583 0.0583 0.1518 0.1518 0.1572 0.1572 0.1964 0.1964 4.6439 4.6439 4.6644 4.6644 5.2599 5.2599 5.2689 5.2689 5.8670 5.8670 5.8719 5.8719 k = 0.3947-0.0000 0.4098 ( 13950 PWs) bands (ev): -11.3355 -11.3355 -11.3354 -11.3354 -11.2797 -11.2797 -11.2797 -11.2797 -7.5378 -7.5378 -7.5374 -7.5374 -7.4937 -7.4937 -7.4918 -7.4918 -3.3664 -3.3664 -3.3353 -3.3353 -2.9583 -2.9583 -2.9337 -2.9337 -2.6595 -2.6595 -2.6515 -2.6515 -2.4880 -2.4880 -2.4425 -2.4425 -2.2663 -2.2663 -2.2561 -2.2561 -1.9534 -1.9534 -1.9313 -1.9313 -0.6228 -0.6228 -0.4741 -0.4741 -0.4532 -0.4532 -0.3896 -0.3896 0.0569 0.0569 0.1495 0.1495 0.1574 0.1574 0.1958 0.1958 4.6566 4.6566 4.6784 4.6784 5.2489 5.2489 5.2582 5.2582 5.8696 5.8696 5.8750 5.8750 k = 0.4211-0.0000 0.4098 ( 13944 PWs) bands (ev): -11.3288 -11.3288 -11.3288 -11.3288 -11.2865 -11.2865 -11.2865 -11.2865 -7.5375 -7.5375 -7.5371 -7.5371 -7.4940 -7.4940 -7.4920 -7.4920 -3.3657 -3.3657 -3.3343 -3.3343 -2.9519 -2.9519 -2.9279 -2.9279 -2.6503 -2.6503 -2.6376 -2.6376 -2.5071 -2.5071 -2.4571 -2.4571 -2.2665 -2.2665 -2.2560 -2.2560 -1.9559 -1.9559 -1.9335 -1.9335 -0.6208 -0.6208 -0.4657 -0.4657 -0.4578 -0.4578 -0.3968 -0.3968 0.0558 0.0558 0.1476 0.1476 0.1575 0.1575 0.1952 0.1952 4.6687 4.6687 4.6915 4.6915 5.2371 5.2371 5.2467 5.2467 5.8718 5.8718 5.8776 5.8776 k = 0.4474-0.0000 0.4098 ( 13942 PWs) bands (ev): -11.3220 -11.3220 -11.3220 -11.3220 -11.2935 -11.2935 -11.2934 -11.2934 -7.5372 -7.5372 -7.5368 -7.5368 -7.4942 -7.4942 -7.4922 -7.4922 -3.3651 -3.3651 -3.3336 -3.3336 -2.9473 -2.9473 -2.9238 -2.9238 -2.6423 -2.6423 -2.6238 -2.6238 -2.5251 -2.5251 -2.4693 -2.4693 -2.2664 -2.2664 -2.2557 -2.2557 -1.9578 -1.9578 -1.9351 -1.9351 -0.6192 -0.6192 -0.4612 -0.4612 -0.4581 -0.4581 -0.4034 -0.4034 0.0551 0.0551 0.1461 0.1461 0.1576 0.1576 0.1948 0.1948 4.6787 4.6787 4.7024 4.7024 5.2266 5.2266 5.2364 5.2364 5.8736 5.8736 5.8796 5.8796 k = 0.4737-0.0000 0.4098 ( 13938 PWs) bands (ev): -11.3153 -11.3153 -11.3152 -11.3152 -11.3003 -11.3003 -11.3003 -11.3003 -7.5370 -7.5370 -7.5366 -7.5366 -7.4943 -7.4943 -7.4923 -7.4923 -3.3647 -3.3647 -3.3331 -3.3331 -2.9445 -2.9445 -2.9213 -2.9213 -2.6367 -2.6367 -2.6118 -2.6118 -2.5395 -2.5395 -2.4776 -2.4776 -2.2662 -2.2662 -2.2555 -2.2555 -1.9590 -1.9590 -1.9361 -1.9361 -0.6182 -0.6182 -0.4633 -0.4633 -0.4525 -0.4525 -0.4086 -0.4086 0.0546 0.0546 0.1453 0.1453 0.1576 0.1576 0.1945 0.1945 4.6853 4.6853 4.7096 4.7096 5.2194 5.2194 5.2293 5.2293 5.8747 5.8747 5.8808 5.8808 k = 0.5000-0.0000 0.4098 ( 13932 PWs) bands (ev): -11.3102 -11.3102 -11.3101 -11.3101 -11.3055 -11.3055 -11.3054 -11.3054 -7.5370 -7.5370 -7.5365 -7.5365 -7.4943 -7.4943 -7.4923 -7.4923 -3.3645 -3.3645 -3.3329 -3.3329 -2.9436 -2.9436 -2.9205 -2.9205 -2.6347 -2.6347 -2.6065 -2.6065 -2.5457 -2.5457 -2.4805 -2.4805 -2.2661 -2.2661 -2.2554 -2.2554 -1.9594 -1.9594 -1.9365 -1.9365 -0.6178 -0.6178 -0.4640 -0.4640 -0.4502 -0.4502 -0.4107 -0.4107 0.0545 0.0545 0.1450 0.1450 0.1577 0.1577 0.1944 0.1944 4.6877 4.6877 4.7121 4.7121 5.2168 5.2168 5.2267 5.2267 5.8751 5.8751 5.8813 5.8813 Writing output data file SiH3I.save init_run : 0.55s CPU 0.65s WALL ( 1 calls) electrons : 392.14s CPU 395.22s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.04s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 392.14s CPU 395.21s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.12s CPU 0.15s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.09s CPU 0.12s WALL ( 200 calls) cegterg : 361.20s CPU 363.73s WALL ( 372 calls) Called by sum_band: Called by *egterg: h_psi : 221.56s CPU 223.87s WALL ( 5126 calls) s_psi : 12.87s CPU 12.93s WALL ( 5126 calls) g_psi : 0.40s CPU 0.34s WALL ( 4554 calls) cdiaghg : 113.76s CPU 113.92s WALL ( 4754 calls) cegterg:over : 15.65s CPU 15.81s WALL ( 4554 calls) cegterg:upda : 11.14s CPU 11.18s WALL ( 4554 calls) cegterg:last : 6.22s CPU 6.30s WALL ( 869 calls) cdiaghg:chol : 4.10s CPU 4.22s WALL ( 4754 calls) cdiaghg:inve : 3.46s CPU 3.17s WALL ( 4754 calls) cdiaghg:para : 6.70s CPU 6.91s WALL ( 9508 calls) Called by h_psi: h_psi:vloc : 193.60s CPU 196.00s WALL ( 5126 calls) h_psi:vnl : 27.60s CPU 27.49s WALL ( 5126 calls) add_vuspsi : 14.28s CPU 14.21s WALL ( 5126 calls) General routines calbec : 13.27s CPU 13.26s WALL ( 5126 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 187.61s CPU 190.10s WALL ( 710828 calls) interpolate : 0.01s CPU 0.00s WALL ( 4 calls) davcio : 0.20s CPU 0.26s WALL ( 400 calls) Parallel routines fft_scatter : 122.07s CPU 123.64s WALL ( 710851 calls) PWSCF : 7m21.46s CPU 7m36.61s WALL This run was terminated on: 23:15:45 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=