Program PWSCF v.5.3.0 (svn rev. 11974) starts on 1Feb2017 at 5:43:23 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: ./TaTe4I.save/ file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P renormalized 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 53 35 9 2605 1400 203 Max 54 36 10 2608 1420 211 Sum 3833 2547 717 187629 101601 14935 bravais-lattice index = 14 lattice parameter (alat) = 12.6215 a.u. unit-cell volume = 2576.3140 (a.u.)^3 number of atoms/cell = 12 number of atomic types = 3 number of electrons = 88.00 number of Kohn-Sham states= 106 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 265.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.621480 celldm(2)= 1.165893 celldm(3)= 1.284773 celldm(4)= -0.386872 celldm(5)= -0.218143 celldm(6)= -0.195090 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.227454 1.143491 0.000000 ) a(3) = ( -0.280265 -0.562528 1.120560 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.198912 0.349966 ) b(2) = ( 0.000000 0.874515 0.439012 ) b(3) = ( 0.000000 0.000000 0.892411 ) PseudoPot. # 1 for Ta read from file: /users/gautes/Pseudo/Ta.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: ce7a4fa75595c0f83f911fa846a48acf Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1273 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Te read from file: /users/gautes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1245 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 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 atomic species valence mass pseudopotential Ta 13.00 180.94790 Ta( 1.00) Te 6.00 127.60000 Te( 1.00) I 7.00 126.90450 I( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 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= 194 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 -0.4372576 -0.2195060), wk = 0.0051546 k( 2) = ( 0.0000000 -0.4190385 -0.2103600), wk = 0.0051546 k( 3) = ( 0.0000000 -0.4008194 -0.2012139), wk = 0.0051546 k( 4) = ( 0.0000000 -0.3826004 -0.1920678), wk = 0.0051546 k( 5) = ( 0.0000000 -0.3643813 -0.1829217), wk = 0.0051546 k( 6) = ( 0.0000000 -0.3461622 -0.1737756), wk = 0.0051546 k( 7) = ( 0.0000000 -0.3279432 -0.1646295), wk = 0.0051546 k( 8) = ( 0.0000000 -0.3097241 -0.1554835), wk = 0.0051546 k( 9) = ( 0.0000000 -0.2915050 -0.1463374), wk = 0.0051546 k( 10) = ( 0.0000000 -0.2732860 -0.1371913), wk = 0.0051546 k( 11) = ( 0.0000000 -0.2550669 -0.1280452), wk = 0.0051546 k( 12) = ( 0.0000000 -0.2368478 -0.1188991), wk = 0.0051546 k( 13) = ( 0.0000000 -0.2186288 -0.1097530), wk = 0.0051546 k( 14) = ( 0.0000000 -0.2004097 -0.1006069), wk = 0.0051546 k( 15) = ( 0.0000000 -0.1821906 -0.0914609), wk = 0.0051546 k( 16) = ( 0.0000000 -0.1639716 -0.0823148), wk = 0.0051546 k( 17) = ( 0.0000000 -0.1457525 -0.0731687), wk = 0.0051546 k( 18) = ( 0.0000000 -0.1275335 -0.0640226), wk = 0.0051546 k( 19) = ( 0.0000000 -0.1093144 -0.0548765), wk = 0.0051546 k( 20) = ( 0.0000000 -0.0910953 -0.0457304), wk = 0.0051546 k( 21) = ( 0.0000000 -0.0728763 -0.0365843), wk = 0.0051546 k( 22) = ( 0.0000000 -0.0546572 -0.0274383), wk = 0.0051546 k( 23) = ( 0.0000000 -0.0364381 -0.0182922), wk = 0.0051546 k( 24) = ( 0.0000000 -0.0182191 -0.0091461), wk = 0.0051546 k( 25) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0051546 k( 26) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0051546 k( 27) = ( 0.0192308 0.0038252 0.0067301), wk = 0.0051546 k( 28) = ( 0.0384615 0.0076505 0.0134602), wk = 0.0051546 k( 29) = ( 0.0576923 0.0114757 0.0201904), wk = 0.0051546 k( 30) = ( 0.0769231 0.0153010 0.0269205), wk = 0.0051546 k( 31) = ( 0.0961538 0.0191262 0.0336506), wk = 0.0051546 k( 32) = ( 0.1153846 0.0229514 0.0403807), wk = 0.0051546 k( 33) = ( 0.1346154 0.0267767 0.0471109), wk = 0.0051546 k( 34) = ( 0.1538461 0.0306019 0.0538410), wk = 0.0051546 k( 35) = ( 0.1730769 0.0344271 0.0605711), wk = 0.0051546 k( 36) = ( 0.1923077 0.0382524 0.0673012), wk = 0.0051546 k( 37) = ( 0.2115385 0.0420776 0.0740313), wk = 0.0051546 k( 38) = ( 0.2307692 0.0459029 0.0807615), wk = 0.0051546 k( 39) = ( 0.2500000 0.0497281 0.0874916), wk = 0.0051546 k( 40) = ( 0.2692308 0.0535533 0.0942217), wk = 0.0051546 k( 41) = ( 0.2884615 0.0573786 0.1009518), wk = 0.0051546 k( 42) = ( 0.3076923 0.0612038 0.1076820), wk = 0.0051546 k( 43) = ( 0.3269231 0.0650290 0.1144121), wk = 0.0051546 k( 44) = ( 0.3461538 0.0688543 0.1211422), wk = 0.0051546 k( 45) = ( 0.3653846 0.0726795 0.1278723), wk = 0.0051546 k( 46) = ( 0.3846154 0.0765048 0.1346024), wk = 0.0051546 k( 47) = ( 0.4038462 0.0803300 0.1413326), wk = 0.0051546 k( 48) = ( 0.4230769 0.0841552 0.1480627), wk = 0.0051546 k( 49) = ( 0.4423077 0.0879805 0.1547928), wk = 0.0051546 k( 50) = ( 0.4615385 0.0918057 0.1615229), wk = 0.0051546 k( 51) = ( 0.4807692 0.0956309 0.1682530), wk = 0.0051546 k( 52) = ( 0.5000000 0.0994562 0.1749832), wk = 0.0051546 k( 53) = ( 0.5000000 -0.3378014 -0.0445229), wk = 0.0051546 k( 54) = ( 0.4827586 -0.3261531 -0.0429876), wk = 0.0051546 k( 55) = ( 0.4655172 -0.3145047 -0.0414523), wk = 0.0051546 k( 56) = ( 0.4482759 -0.3028564 -0.0399171), wk = 0.0051546 k( 57) = ( 0.4310345 -0.2912081 -0.0383818), wk = 0.0051546 k( 58) = ( 0.4137931 -0.2795598 -0.0368465), wk = 0.0051546 k( 59) = ( 0.3965517 -0.2679114 -0.0353112), wk = 0.0051546 k( 60) = ( 0.3793103 -0.2562631 -0.0337760), wk = 0.0051546 k( 61) = ( 0.3620690 -0.2446148 -0.0322407), wk = 0.0051546 k( 62) = ( 0.3448276 -0.2329665 -0.0307054), wk = 0.0051546 k( 63) = ( 0.3275862 -0.2213181 -0.0291702), wk = 0.0051546 k( 64) = ( 0.3103448 -0.2096698 -0.0276349), wk = 0.0051546 k( 65) = ( 0.2931034 -0.1980215 -0.0260996), wk = 0.0051546 k( 66) = ( 0.2758621 -0.1863732 -0.0245643), wk = 0.0051546 k( 67) = ( 0.2586207 -0.1747249 -0.0230291), wk = 0.0051546 k( 68) = ( 0.2413793 -0.1630765 -0.0214938), wk = 0.0051546 k( 69) = ( 0.2241379 -0.1514282 -0.0199585), wk = 0.0051546 k( 70) = ( 0.2068966 -0.1397799 -0.0184233), wk = 0.0051546 k( 71) = ( 0.1896552 -0.1281316 -0.0168880), wk = 0.0051546 k( 72) = ( 0.1724138 -0.1164832 -0.0153527), wk = 0.0051546 k( 73) = ( 0.1551724 -0.1048349 -0.0138174), wk = 0.0051546 k( 74) = ( 0.1379310 -0.0931866 -0.0122822), wk = 0.0051546 k( 75) = ( 0.1206897 -0.0815383 -0.0107469), wk = 0.0051546 k( 76) = ( 0.1034483 -0.0698899 -0.0092116), wk = 0.0051546 k( 77) = ( 0.0862069 -0.0582416 -0.0076764), wk = 0.0051546 k( 78) = ( 0.0689655 -0.0465933 -0.0061411), wk = 0.0051546 k( 79) = ( 0.0517241 -0.0349450 -0.0046058), wk = 0.0051546 k( 80) = ( 0.0344828 -0.0232966 -0.0030705), wk = 0.0051546 k( 81) = ( 0.0172414 -0.0116483 -0.0015353), wk = 0.0051546 k( 82) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0051546 k( 83) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0051546 k( 84) = ( -0.0178571 -0.0035520 0.0096865), wk = 0.0051546 k( 85) = ( -0.0357143 -0.0071040 0.0193730), wk = 0.0051546 k( 86) = ( -0.0535714 -0.0106560 0.0290595), wk = 0.0051546 k( 87) = ( -0.0714286 -0.0142080 0.0387460), wk = 0.0051546 k( 88) = ( -0.0892857 -0.0177600 0.0484325), wk = 0.0051546 k( 89) = ( -0.1071429 -0.0213120 0.0581190), wk = 0.0051546 k( 90) = ( -0.1250000 -0.0248640 0.0678055), wk = 0.0051546 k( 91) = ( -0.1428571 -0.0284161 0.0774920), wk = 0.0051546 k( 92) = ( -0.1607143 -0.0319681 0.0871785), wk = 0.0051546 k( 93) = ( -0.1785714 -0.0355201 0.0968650), wk = 0.0051546 k( 94) = ( -0.1964286 -0.0390721 0.1065515), wk = 0.0051546 k( 95) = ( -0.2142857 -0.0426241 0.1162381), wk = 0.0051546 k( 96) = ( -0.2321429 -0.0461761 0.1259246), wk = 0.0051546 k( 97) = ( -0.2500000 -0.0497281 0.1356111), wk = 0.0051546 k( 98) = ( -0.2678571 -0.0532801 0.1452976), wk = 0.0051546 k( 99) = ( -0.2857143 -0.0568321 0.1549841), wk = 0.0051546 k( 100) = ( -0.3035714 -0.0603841 0.1646706), wk = 0.0051546 k( 101) = ( -0.3214286 -0.0639361 0.1743571), wk = 0.0051546 k( 102) = ( -0.3392857 -0.0674881 0.1840436), wk = 0.0051546 k( 103) = ( -0.3571429 -0.0710401 0.1937301), wk = 0.0051546 k( 104) = ( -0.3750000 -0.0745921 0.2034166), wk = 0.0051546 k( 105) = ( -0.3928571 -0.0781441 0.2131031), wk = 0.0051546 k( 106) = ( -0.4107143 -0.0816962 0.2227896), wk = 0.0051546 k( 107) = ( -0.4285714 -0.0852482 0.2324761), wk = 0.0051546 k( 108) = ( -0.4464286 -0.0888002 0.2421626), wk = 0.0051546 k( 109) = ( -0.4642857 -0.0923522 0.2518491), wk = 0.0051546 k( 110) = ( -0.4821429 -0.0959042 0.2615356), wk = 0.0051546 k( 111) = ( -0.5000000 -0.0994562 0.2712221), wk = 0.0051546 k( 112) = ( -0.5000000 -0.5367138 0.0517161), wk = 0.0051546 k( 113) = ( -0.4857143 -0.5213791 0.0502385), wk = 0.0051546 k( 114) = ( -0.4714286 -0.5060444 0.0487609), wk = 0.0051546 k( 115) = ( -0.4571429 -0.4907097 0.0472833), wk = 0.0051546 k( 116) = ( -0.4428571 -0.4753750 0.0458057), wk = 0.0051546 k( 117) = ( -0.4285714 -0.4600404 0.0443281), wk = 0.0051546 k( 118) = ( -0.4142857 -0.4447057 0.0428505), wk = 0.0051546 k( 119) = ( -0.4000000 -0.4293710 0.0413729), wk = 0.0051546 k( 120) = ( -0.3857143 -0.4140363 0.0398953), wk = 0.0051546 k( 121) = ( -0.3714286 -0.3987016 0.0384177), wk = 0.0051546 k( 122) = ( -0.3571429 -0.3833670 0.0369401), wk = 0.0051546 k( 123) = ( -0.3428571 -0.3680323 0.0354625), wk = 0.0051546 k( 124) = ( -0.3285714 -0.3526976 0.0339849), wk = 0.0051546 k( 125) = ( -0.3142857 -0.3373629 0.0325072), wk = 0.0051546 k( 126) = ( -0.3000000 -0.3220283 0.0310296), wk = 0.0051546 k( 127) = ( -0.2857143 -0.3066936 0.0295520), wk = 0.0051546 k( 128) = ( -0.2714286 -0.2913589 0.0280744), wk = 0.0051546 k( 129) = ( -0.2571429 -0.2760242 0.0265968), wk = 0.0051546 k( 130) = ( -0.2428571 -0.2606895 0.0251192), wk = 0.0051546 k( 131) = ( -0.2285714 -0.2453549 0.0236416), wk = 0.0051546 k( 132) = ( -0.2142857 -0.2300202 0.0221640), wk = 0.0051546 k( 133) = ( -0.2000000 -0.2146855 0.0206864), wk = 0.0051546 k( 134) = ( -0.1857143 -0.1993508 0.0192088), wk = 0.0051546 k( 135) = ( -0.1714286 -0.1840161 0.0177312), wk = 0.0051546 k( 136) = ( -0.1571429 -0.1686815 0.0162536), wk = 0.0051546 k( 137) = ( -0.1428571 -0.1533468 0.0147760), wk = 0.0051546 k( 138) = ( -0.1285714 -0.1380121 0.0132984), wk = 0.0051546 k( 139) = ( -0.1142857 -0.1226774 0.0118208), wk = 0.0051546 k( 140) = ( -0.1000000 -0.1073428 0.0103432), wk = 0.0051546 k( 141) = ( -0.0857143 -0.0920081 0.0088656), wk = 0.0051546 k( 142) = ( -0.0714286 -0.0766734 0.0073880), wk = 0.0051546 k( 143) = ( -0.0571429 -0.0613387 0.0059104), wk = 0.0051546 k( 144) = ( -0.0428571 -0.0460040 0.0044328), wk = 0.0051546 k( 145) = ( -0.0285714 -0.0306694 0.0029552), wk = 0.0051546 k( 146) = ( -0.0142857 -0.0153347 0.0014776), wk = 0.0051546 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0051546 k( 148) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0051546 k( 149) = ( 0.0000000 0.0000000 0.0212479), wk = 0.0051546 k( 150) = ( 0.0000000 0.0000000 0.0424957), wk = 0.0051546 k( 151) = ( 0.0000000 0.0000000 0.0637436), wk = 0.0051546 k( 152) = ( 0.0000000 0.0000000 0.0849915), wk = 0.0051546 k( 153) = ( 0.0000000 0.0000000 0.1062394), wk = 0.0051546 k( 154) = ( 0.0000000 0.0000000 0.1274872), wk = 0.0051546 k( 155) = ( 0.0000000 0.0000000 0.1487351), wk = 0.0051546 k( 156) = ( 0.0000000 0.0000000 0.1699830), wk = 0.0051546 k( 157) = ( 0.0000000 0.0000000 0.1912308), wk = 0.0051546 k( 158) = ( 0.0000000 0.0000000 0.2124787), wk = 0.0051546 k( 159) = ( 0.0000000 0.0000000 0.2337266), wk = 0.0051546 k( 160) = ( 0.0000000 0.0000000 0.2549745), wk = 0.0051546 k( 161) = ( 0.0000000 0.0000000 0.2762223), wk = 0.0051546 k( 162) = ( 0.0000000 0.0000000 0.2974702), wk = 0.0051546 k( 163) = ( 0.0000000 0.0000000 0.3187181), wk = 0.0051546 k( 164) = ( 0.0000000 0.0000000 0.3399659), wk = 0.0051546 k( 165) = ( 0.0000000 0.0000000 0.3612138), wk = 0.0051546 k( 166) = ( 0.0000000 0.0000000 0.3824617), wk = 0.0051546 k( 167) = ( 0.0000000 0.0000000 0.4037096), wk = 0.0051546 k( 168) = ( 0.0000000 0.0000000 0.4249574), wk = 0.0051546 k( 169) = ( 0.0000000 0.0000000 0.4462053), wk = 0.0051546 k( 170) = ( 0.0000000 -0.4372576 0.2266992), wk = 0.0051546 k( 171) = ( 0.0000000 -0.4190385 0.2172534), wk = 0.0051546 k( 172) = ( 0.0000000 -0.4008194 0.2078076), wk = 0.0051546 k( 173) = ( 0.0000000 -0.3826004 0.1983618), wk = 0.0051546 k( 174) = ( 0.0000000 -0.3643813 0.1889160), wk = 0.0051546 k( 175) = ( 0.0000000 -0.3461622 0.1794702), wk = 0.0051546 k( 176) = ( 0.0000000 -0.3279432 0.1700244), wk = 0.0051546 k( 177) = ( 0.0000000 -0.3097241 0.1605786), wk = 0.0051546 k( 178) = ( 0.0000000 -0.2915050 0.1511328), wk = 0.0051546 k( 179) = ( 0.0000000 -0.2732860 0.1416870), wk = 0.0051546 k( 180) = ( 0.0000000 -0.2550669 0.1322412), wk = 0.0051546 k( 181) = ( 0.0000000 -0.2368478 0.1227954), wk = 0.0051546 k( 182) = ( 0.0000000 -0.2186288 0.1133496), wk = 0.0051546 k( 183) = ( 0.0000000 -0.2004097 0.1039038), wk = 0.0051546 k( 184) = ( 0.0000000 -0.1821906 0.0944580), wk = 0.0051546 k( 185) = ( 0.0000000 -0.1639716 0.0850122), wk = 0.0051546 k( 186) = ( 0.0000000 -0.1457525 0.0755664), wk = 0.0051546 k( 187) = ( 0.0000000 -0.1275335 0.0661206), wk = 0.0051546 k( 188) = ( 0.0000000 -0.1093144 0.0566748), wk = 0.0051546 k( 189) = ( 0.0000000 -0.0910953 0.0472290), wk = 0.0051546 k( 190) = ( 0.0000000 -0.0728763 0.0377832), wk = 0.0051546 k( 191) = ( 0.0000000 -0.0546572 0.0283374), wk = 0.0051546 k( 192) = ( 0.0000000 -0.0364381 0.0188916), wk = 0.0051546 k( 193) = ( 0.0000000 -0.0182191 0.0094458), wk = 0.0051546 k( 194) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0051546 cryst. coord. k( 1) = ( 0.0000000 -0.5000000 -0.0000000), wk = 0.0051546 k( 2) = ( 0.0000000 -0.4791667 -0.0000000), wk = 0.0051546 k( 3) = ( 0.0000000 -0.4583333 -0.0000000), wk = 0.0051546 k( 4) = ( 0.0000000 -0.4375000 -0.0000000), wk = 0.0051546 k( 5) = ( 0.0000000 -0.4166667 0.0000000), wk = 0.0051546 k( 6) = ( 0.0000000 -0.3958333 -0.0000000), wk = 0.0051546 k( 7) = ( 0.0000000 -0.3750000 -0.0000000), wk = 0.0051546 k( 8) = ( 0.0000000 -0.3541667 -0.0000000), wk = 0.0051546 k( 9) = ( 0.0000000 -0.3333333 -0.0000000), wk = 0.0051546 k( 10) = ( 0.0000000 -0.3125000 -0.0000000), wk = 0.0051546 k( 11) = ( 0.0000000 -0.2916667 -0.0000000), wk = 0.0051546 k( 12) = ( 0.0000000 -0.2708333 -0.0000000), wk = 0.0051546 k( 13) = ( 0.0000000 -0.2500000 -0.0000000), wk = 0.0051546 k( 14) = ( 0.0000000 -0.2291667 -0.0000000), wk = 0.0051546 k( 15) = ( 0.0000000 -0.2083333 -0.0000000), wk = 0.0051546 k( 16) = ( 0.0000000 -0.1875000 -0.0000000), wk = 0.0051546 k( 17) = ( 0.0000000 -0.1666667 -0.0000000), wk = 0.0051546 k( 18) = ( 0.0000000 -0.1458333 -0.0000000), wk = 0.0051546 k( 19) = ( 0.0000000 -0.1250000 -0.0000000), wk = 0.0051546 k( 20) = ( 0.0000000 -0.1041667 0.0000000), wk = 0.0051546 k( 21) = ( 0.0000000 -0.0833333 -0.0000000), wk = 0.0051546 k( 22) = ( 0.0000000 -0.0625000 -0.0000000), wk = 0.0051546 k( 23) = ( 0.0000000 -0.0416667 0.0000000), wk = 0.0051546 k( 24) = ( 0.0000000 -0.0208333 0.0000000), wk = 0.0051546 k( 25) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0051546 k( 26) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0051546 k( 27) = ( 0.0192308 -0.0000000 0.0000000), wk = 0.0051546 k( 28) = ( 0.0384615 -0.0000000 0.0000000), wk = 0.0051546 k( 29) = ( 0.0576923 0.0000000 0.0000000), wk = 0.0051546 k( 30) = ( 0.0769231 -0.0000000 0.0000000), wk = 0.0051546 k( 31) = ( 0.0961538 -0.0000000 0.0000000), wk = 0.0051546 k( 32) = ( 0.1153846 0.0000000 0.0000000), wk = 0.0051546 k( 33) = ( 0.1346154 0.0000000 0.0000000), wk = 0.0051546 k( 34) = ( 0.1538461 0.0000000 -0.0000000), wk = 0.0051546 k( 35) = ( 0.1730769 0.0000000 -0.0000000), wk = 0.0051546 k( 36) = ( 0.1923077 -0.0000000 0.0000000), wk = 0.0051546 k( 37) = ( 0.2115385 -0.0000000 0.0000000), wk = 0.0051546 k( 38) = ( 0.2307692 0.0000000 0.0000000), wk = 0.0051546 k( 39) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0051546 k( 40) = ( 0.2692308 0.0000000 0.0000000), wk = 0.0051546 k( 41) = ( 0.2884615 0.0000000 0.0000000), wk = 0.0051546 k( 42) = ( 0.3076923 0.0000000 -0.0000000), wk = 0.0051546 k( 43) = ( 0.3269231 0.0000000 0.0000000), wk = 0.0051546 k( 44) = ( 0.3461538 0.0000000 0.0000000), wk = 0.0051546 k( 45) = ( 0.3653846 0.0000000 -0.0000000), wk = 0.0051546 k( 46) = ( 0.3846154 -0.0000000 0.0000000), wk = 0.0051546 k( 47) = ( 0.4038462 0.0000000 0.0000000), wk = 0.0051546 k( 48) = ( 0.4230769 -0.0000000 0.0000000), wk = 0.0051546 k( 49) = ( 0.4423077 -0.0000000 0.0000000), wk = 0.0051546 k( 50) = ( 0.4615385 0.0000000 0.0000000), wk = 0.0051546 k( 51) = ( 0.4807692 -0.0000000 0.0000000), wk = 0.0051546 k( 52) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0051546 k( 53) = ( 0.5000000 -0.5000000 -0.0000000), wk = 0.0051546 k( 54) = ( 0.4827586 -0.4827586 0.0000000), wk = 0.0051546 k( 55) = ( 0.4655172 -0.4655172 -0.0000000), wk = 0.0051546 k( 56) = ( 0.4482759 -0.4482759 0.0000000), wk = 0.0051546 k( 57) = ( 0.4310345 -0.4310345 0.0000000), wk = 0.0051546 k( 58) = ( 0.4137931 -0.4137931 0.0000000), wk = 0.0051546 k( 59) = ( 0.3965517 -0.3965517 -0.0000000), wk = 0.0051546 k( 60) = ( 0.3793103 -0.3793103 0.0000000), wk = 0.0051546 k( 61) = ( 0.3620690 -0.3620690 -0.0000000), wk = 0.0051546 k( 62) = ( 0.3448276 -0.3448276 -0.0000000), wk = 0.0051546 k( 63) = ( 0.3275862 -0.3275862 -0.0000000), wk = 0.0051546 k( 64) = ( 0.3103448 -0.3103448 0.0000000), wk = 0.0051546 k( 65) = ( 0.2931034 -0.2931034 -0.0000000), wk = 0.0051546 k( 66) = ( 0.2758621 -0.2758621 -0.0000000), wk = 0.0051546 k( 67) = ( 0.2586207 -0.2586207 -0.0000000), wk = 0.0051546 k( 68) = ( 0.2413793 -0.2413793 0.0000000), wk = 0.0051546 k( 69) = ( 0.2241379 -0.2241379 0.0000000), wk = 0.0051546 k( 70) = ( 0.2068966 -0.2068966 0.0000000), wk = 0.0051546 k( 71) = ( 0.1896552 -0.1896552 0.0000000), wk = 0.0051546 k( 72) = ( 0.1724138 -0.1724138 -0.0000000), wk = 0.0051546 k( 73) = ( 0.1551724 -0.1551724 0.0000000), wk = 0.0051546 k( 74) = ( 0.1379310 -0.1379310 -0.0000000), wk = 0.0051546 k( 75) = ( 0.1206897 -0.1206897 -0.0000000), wk = 0.0051546 k( 76) = ( 0.1034483 -0.1034483 -0.0000000), wk = 0.0051546 k( 77) = ( 0.0862069 -0.0862069 -0.0000000), wk = 0.0051546 k( 78) = ( 0.0689655 -0.0689655 -0.0000000), wk = 0.0051546 k( 79) = ( 0.0517241 -0.0517241 -0.0000000), wk = 0.0051546 k( 80) = ( 0.0344828 -0.0344828 -0.0000000), wk = 0.0051546 k( 81) = ( 0.0172414 -0.0172414 -0.0000000), wk = 0.0051546 k( 82) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0051546 k( 83) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0051546 k( 84) = ( -0.0178571 -0.0000000 0.0178571), wk = 0.0051546 k( 85) = ( -0.0357143 0.0000000 0.0357143), wk = 0.0051546 k( 86) = ( -0.0535714 0.0000000 0.0535714), wk = 0.0051546 k( 87) = ( -0.0714286 -0.0000000 0.0714286), wk = 0.0051546 k( 88) = ( -0.0892857 0.0000000 0.0892857), wk = 0.0051546 k( 89) = ( -0.1071429 0.0000000 0.1071429), wk = 0.0051546 k( 90) = ( -0.1250000 0.0000000 0.1250000), wk = 0.0051546 k( 91) = ( -0.1428571 -0.0000000 0.1428571), wk = 0.0051546 k( 92) = ( -0.1607143 -0.0000000 0.1607143), wk = 0.0051546 k( 93) = ( -0.1785714 -0.0000000 0.1785714), wk = 0.0051546 k( 94) = ( -0.1964286 -0.0000000 0.1964286), wk = 0.0051546 k( 95) = ( -0.2142857 -0.0000000 0.2142857), wk = 0.0051546 k( 96) = ( -0.2321429 -0.0000000 0.2321429), wk = 0.0051546 k( 97) = ( -0.2500000 0.0000000 0.2500000), wk = 0.0051546 k( 98) = ( -0.2678571 0.0000000 0.2678571), wk = 0.0051546 k( 99) = ( -0.2857143 -0.0000000 0.2857143), wk = 0.0051546 k( 100) = ( -0.3035714 0.0000000 0.3035714), wk = 0.0051546 k( 101) = ( -0.3214286 0.0000000 0.3214286), wk = 0.0051546 k( 102) = ( -0.3392857 0.0000000 0.3392857), wk = 0.0051546 k( 103) = ( -0.3571429 -0.0000000 0.3571429), wk = 0.0051546 k( 104) = ( -0.3750000 -0.0000000 0.3750000), wk = 0.0051546 k( 105) = ( -0.3928571 -0.0000000 0.3928571), wk = 0.0051546 k( 106) = ( -0.4107143 -0.0000000 0.4107143), wk = 0.0051546 k( 107) = ( -0.4285714 -0.0000000 0.4285714), wk = 0.0051546 k( 108) = ( -0.4464286 -0.0000000 0.4464286), wk = 0.0051546 k( 109) = ( -0.4642857 0.0000000 0.4642857), wk = 0.0051546 k( 110) = ( -0.4821429 0.0000000 0.4821429), wk = 0.0051546 k( 111) = ( -0.5000000 0.0000000 0.5000000), wk = 0.0051546 k( 112) = ( -0.5000000 -0.5000000 0.5000000), wk = 0.0051546 k( 113) = ( -0.4857143 -0.4857143 0.4857143), wk = 0.0051546 k( 114) = ( -0.4714286 -0.4714286 0.4714286), wk = 0.0051546 k( 115) = ( -0.4571429 -0.4571429 0.4571429), wk = 0.0051546 k( 116) = ( -0.4428571 -0.4428571 0.4428571), wk = 0.0051546 k( 117) = ( -0.4285714 -0.4285714 0.4285714), wk = 0.0051546 k( 118) = ( -0.4142857 -0.4142857 0.4142857), wk = 0.0051546 k( 119) = ( -0.4000000 -0.4000000 0.4000000), wk = 0.0051546 k( 120) = ( -0.3857143 -0.3857143 0.3857143), wk = 0.0051546 k( 121) = ( -0.3714286 -0.3714286 0.3714286), wk = 0.0051546 k( 122) = ( -0.3571429 -0.3571429 0.3571429), wk = 0.0051546 k( 123) = ( -0.3428571 -0.3428571 0.3428571), wk = 0.0051546 k( 124) = ( -0.3285714 -0.3285714 0.3285714), wk = 0.0051546 k( 125) = ( -0.3142857 -0.3142857 0.3142857), wk = 0.0051546 k( 126) = ( -0.3000000 -0.3000000 0.3000000), wk = 0.0051546 k( 127) = ( -0.2857143 -0.2857143 0.2857143), wk = 0.0051546 k( 128) = ( -0.2714286 -0.2714286 0.2714286), wk = 0.0051546 k( 129) = ( -0.2571429 -0.2571429 0.2571429), wk = 0.0051546 k( 130) = ( -0.2428571 -0.2428571 0.2428571), wk = 0.0051546 k( 131) = ( -0.2285714 -0.2285714 0.2285714), wk = 0.0051546 k( 132) = ( -0.2142857 -0.2142857 0.2142857), wk = 0.0051546 k( 133) = ( -0.2000000 -0.2000000 0.2000000), wk = 0.0051546 k( 134) = ( -0.1857143 -0.1857143 0.1857143), wk = 0.0051546 k( 135) = ( -0.1714286 -0.1714286 0.1714286), wk = 0.0051546 k( 136) = ( -0.1571429 -0.1571429 0.1571429), wk = 0.0051546 k( 137) = ( -0.1428571 -0.1428571 0.1428571), wk = 0.0051546 k( 138) = ( -0.1285714 -0.1285714 0.1285714), wk = 0.0051546 k( 139) = ( -0.1142857 -0.1142857 0.1142857), wk = 0.0051546 k( 140) = ( -0.1000000 -0.1000000 0.1000000), wk = 0.0051546 k( 141) = ( -0.0857143 -0.0857143 0.0857143), wk = 0.0051546 k( 142) = ( -0.0714286 -0.0714286 0.0714286), wk = 0.0051546 k( 143) = ( -0.0571429 -0.0571429 0.0571429), wk = 0.0051546 k( 144) = ( -0.0428571 -0.0428571 0.0428571), wk = 0.0051546 k( 145) = ( -0.0285714 -0.0285714 0.0285714), wk = 0.0051546 k( 146) = ( -0.0142857 -0.0142857 0.0142857), wk = 0.0051546 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0051546 k( 148) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0051546 k( 149) = ( 0.0000000 0.0000000 0.0238095), wk = 0.0051546 k( 150) = ( 0.0000000 0.0000000 0.0476191), wk = 0.0051546 k( 151) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0051546 k( 152) = ( 0.0000000 0.0000000 0.0952381), wk = 0.0051546 k( 153) = ( 0.0000000 0.0000000 0.1190476), wk = 0.0051546 k( 154) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0051546 k( 155) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0051546 k( 156) = ( 0.0000000 0.0000000 0.1904762), wk = 0.0051546 k( 157) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0051546 k( 158) = ( 0.0000000 0.0000000 0.2380952), wk = 0.0051546 k( 159) = ( 0.0000000 0.0000000 0.2619048), wk = 0.0051546 k( 160) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0051546 k( 161) = ( 0.0000000 0.0000000 0.3095238), wk = 0.0051546 k( 162) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0051546 k( 163) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0051546 k( 164) = ( 0.0000000 0.0000000 0.3809524), wk = 0.0051546 k( 165) = ( 0.0000000 0.0000000 0.4047619), wk = 0.0051546 k( 166) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0051546 k( 167) = ( 0.0000000 0.0000000 0.4523810), wk = 0.0051546 k( 168) = ( 0.0000000 0.0000000 0.4761905), wk = 0.0051546 k( 169) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0051546 k( 170) = ( 0.0000000 -0.5000000 0.5000000), wk = 0.0051546 k( 171) = ( 0.0000000 -0.4791667 0.4791667), wk = 0.0051546 k( 172) = ( 0.0000000 -0.4583333 0.4583333), wk = 0.0051546 k( 173) = ( 0.0000000 -0.4375000 0.4375000), wk = 0.0051546 k( 174) = ( 0.0000000 -0.4166667 0.4166667), wk = 0.0051546 k( 175) = ( 0.0000000 -0.3958333 0.3958333), wk = 0.0051546 k( 176) = ( 0.0000000 -0.3750000 0.3750000), wk = 0.0051546 k( 177) = ( 0.0000000 -0.3541667 0.3541667), wk = 0.0051546 k( 178) = ( 0.0000000 -0.3333333 0.3333333), wk = 0.0051546 k( 179) = ( 0.0000000 -0.3125000 0.3125000), wk = 0.0051546 k( 180) = ( 0.0000000 -0.2916667 0.2916667), wk = 0.0051546 k( 181) = ( 0.0000000 -0.2708333 0.2708333), wk = 0.0051546 k( 182) = ( 0.0000000 -0.2500000 0.2500000), wk = 0.0051546 k( 183) = ( 0.0000000 -0.2291667 0.2291667), wk = 0.0051546 k( 184) = ( 0.0000000 -0.2083333 0.2083333), wk = 0.0051546 k( 185) = ( 0.0000000 -0.1875000 0.1875000), wk = 0.0051546 k( 186) = ( 0.0000000 -0.1666667 0.1666667), wk = 0.0051546 k( 187) = ( 0.0000000 -0.1458333 0.1458333), wk = 0.0051546 k( 188) = ( 0.0000000 -0.1250000 0.1250000), wk = 0.0051546 k( 189) = ( 0.0000000 -0.1041667 0.1041667), wk = 0.0051546 k( 190) = ( 0.0000000 -0.0833333 0.0833333), wk = 0.0051546 k( 191) = ( 0.0000000 -0.0625000 0.0625000), wk = 0.0051546 k( 192) = ( 0.0000000 -0.0416667 0.0416667), wk = 0.0051546 k( 193) = ( 0.0000000 -0.0208333 0.0208333), wk = 0.0051546 k( 194) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0051546 Dense grid: 187629 G-vectors FFT dimensions: ( 72, 80, 90) Smooth grid: 101601 G-vectors FFT dimensions: ( 54, 64, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.60 Mb ( 374, 106) NL pseudopotentials 1.16 Mb ( 187, 408) Each V/rho on FFT grid 0.18 Mb ( 11520) Each G-vector array 0.02 Mb ( 2606) G-vector shells 0.02 Mb ( 2606) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.42 Mb ( 374, 424) Each subspace H/S matrix 0.07 Mb ( 70, 70) Each matrix 1.32 Mb ( 408, 2, 106) The potential is recalculated from file : ./TaTe4I.save/charge-density.dat Starting wfc are 120 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 7.2 secs Computing kpt #: 2 total cpu time spent up to now is 11.3 secs Computing kpt #: 3 total cpu time spent up to now is 15.5 secs Computing kpt #: 4 total cpu time spent up to now is 19.0 secs Computing kpt #: 5 total cpu time spent up to now is 23.3 secs Computing kpt #: 6 total cpu time spent up to now is 27.0 secs Computing kpt #: 7 total cpu time spent up to now is 30.5 secs Computing kpt #: 8 total cpu time spent up to now is 34.2 secs Computing kpt #: 9 total cpu time spent up to now is 38.7 secs Computing kpt #: 10 total cpu time spent up to now is 42.2 secs Computing kpt #: 11 total cpu time spent up to now is 47.0 secs Computing kpt #: 12 total cpu time spent up to now is 51.8 secs Computing kpt #: 13 total cpu time spent up to now is 56.6 secs Computing kpt #: 14 total cpu time spent up to now is 61.6 secs Computing kpt #: 15 total cpu time spent up to now is 65.3 secs Computing kpt #: 16 total cpu time spent up to now is 69.9 secs Computing kpt #: 17 total cpu time spent up to now is 75.1 secs Computing kpt #: 18 total cpu time spent up to now is 79.4 secs Computing kpt #: 19 total cpu time spent up to now is 84.9 secs Computing kpt #: 20 total cpu time spent up to now is 90.6 secs Computing kpt #: 21 total cpu time spent up to now is 94.4 secs Computing kpt #: 22 total cpu time spent up to now is 99.4 secs Computing kpt #: 23 total cpu time spent up to now is 103.8 secs Computing kpt #: 24 total cpu time spent up to now is 108.0 secs Computing kpt #: 25 total cpu time spent up to now is 113.2 secs Computing kpt #: 26 total cpu time spent up to now is 117.4 secs Computing kpt #: 27 total cpu time spent up to now is 121.7 secs Computing kpt #: 28 total cpu time spent up to now is 126.1 secs Computing kpt #: 29 total cpu time spent up to now is 130.5 secs Computing kpt #: 30 total cpu time spent up to now is 134.8 secs Computing kpt #: 31 total cpu time spent up to now is 139.3 secs Computing kpt #: 32 total cpu time spent up to now is 143.8 secs Computing kpt #: 33 total cpu time spent up to now is 148.4 secs Computing kpt #: 34 total cpu time spent up to now is 152.8 secs Computing kpt #: 35 total cpu time spent up to now is 157.4 secs Computing kpt #: 36 total cpu time spent up to now is 162.2 secs Computing kpt #: 37 total cpu time spent up to now is 166.8 secs Computing kpt #: 38 total cpu time spent up to now is 170.9 secs Computing kpt #: 39 total cpu time spent up to now is 174.1 secs Computing kpt #: 40 total cpu time spent up to now is 178.4 secs Computing kpt #: 41 total cpu time spent up to now is 183.3 secs Computing kpt #: 42 total cpu time spent up to now is 188.4 secs Computing kpt #: 43 total cpu time spent up to now is 191.7 secs Computing kpt #: 44 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 199.4 secs Computing kpt #: 45 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 207.2 secs Computing kpt #: 46 total cpu time spent up to now is 214.5 secs Computing kpt #: 47 total cpu time spent up to now is 221.6 secs Computing kpt #: 48 total cpu time spent up to now is 227.7 secs Computing kpt #: 49 total cpu time spent up to now is 233.4 secs Computing kpt #: 50 total cpu time spent up to now is 236.6 secs Computing kpt #: 51 total cpu time spent up to now is 241.1 secs Computing kpt #: 52 total cpu time spent up to now is 244.4 secs Computing kpt #: 53 total cpu time spent up to now is 250.4 secs Computing kpt #: 54 total cpu time spent up to now is 254.6 secs Computing kpt #: 55 total cpu time spent up to now is 259.0 secs Computing kpt #: 56 total cpu time spent up to now is 263.1 secs Computing kpt #: 57 total cpu time spent up to now is 266.9 secs Computing kpt #: 58 total cpu time spent up to now is 270.5 secs Computing kpt #: 59 total cpu time spent up to now is 274.2 secs Computing kpt #: 60 total cpu time spent up to now is 277.6 secs Computing kpt #: 61 total cpu time spent up to now is 281.2 secs Computing kpt #: 62 total cpu time spent up to now is 284.6 secs Computing kpt #: 63 total cpu time spent up to now is 288.0 secs Computing kpt #: 64 total cpu time spent up to now is 291.5 secs Computing kpt #: 65 total cpu time spent up to now is 295.0 secs Computing kpt #: 66 total cpu time spent up to now is 298.4 secs Computing kpt #: 67 total cpu time spent up to now is 301.7 secs Computing kpt #: 68 total cpu time spent up to now is 305.2 secs Computing kpt #: 69 total cpu time spent up to now is 310.6 secs Computing kpt #: 70 total cpu time spent up to now is 314.1 secs Computing kpt #: 71 total cpu time spent up to now is 317.7 secs Computing kpt #: 72 total cpu time spent up to now is 323.1 secs Computing kpt #: 73 total cpu time spent up to now is 327.8 secs Computing kpt #: 74 total cpu time spent up to now is 332.5 secs Computing kpt #: 75 total cpu time spent up to now is 337.5 secs Computing kpt #: 76 total cpu time spent up to now is 341.2 secs Computing kpt #: 77 total cpu time spent up to now is 344.8 secs Computing kpt #: 78 total cpu time spent up to now is 349.4 secs Computing kpt #: 79 total cpu time spent up to now is 354.2 secs Computing kpt #: 80 total cpu time spent up to now is 359.5 secs Computing kpt #: 81 total cpu time spent up to now is 364.9 secs Computing kpt #: 82 total cpu time spent up to now is 369.3 secs Computing kpt #: 83 total cpu time spent up to now is 373.6 secs Computing kpt #: 84 total cpu time spent up to now is 377.9 secs Computing kpt #: 85 total cpu time spent up to now is 382.2 secs Computing kpt #: 86 total cpu time spent up to now is 386.4 secs Computing kpt #: 87 total cpu time spent up to now is 391.3 secs Computing kpt #: 88 total cpu time spent up to now is 395.9 secs Computing kpt #: 89 total cpu time spent up to now is 400.6 secs Computing kpt #: 90 total cpu time spent up to now is 405.2 secs Computing kpt #: 91 total cpu time spent up to now is 409.7 secs Computing kpt #: 92 total cpu time spent up to now is 414.5 secs Computing kpt #: 93 total cpu time spent up to now is 419.3 secs Computing kpt #: 94 total cpu time spent up to now is 422.9 secs Computing kpt #: 95 total cpu time spent up to now is 426.6 secs Computing kpt #: 96 total cpu time spent up to now is 431.4 secs Computing kpt #: 97 total cpu time spent up to now is 434.9 secs Computing kpt #: 98 total cpu time spent up to now is 438.6 secs Computing kpt #: 99 total cpu time spent up to now is 442.2 secs Computing kpt #: 100 total cpu time spent up to now is 447.1 secs Computing kpt #: 101 total cpu time spent up to now is 450.7 secs Computing kpt #: 102 total cpu time spent up to now is 454.2 secs Computing kpt #: 103 total cpu time spent up to now is 457.8 secs Computing kpt #: 104 total cpu time spent up to now is 461.2 secs Computing kpt #: 105 total cpu time spent up to now is 464.7 secs Computing kpt #: 106 total cpu time spent up to now is 468.3 secs Computing kpt #: 107 total cpu time spent up to now is 471.7 secs Computing kpt #: 108 total cpu time spent up to now is 475.2 secs Computing kpt #: 109 total cpu time spent up to now is 478.7 secs Computing kpt #: 110 total cpu time spent up to now is 482.3 secs Computing kpt #: 111 total cpu time spent up to now is 486.0 secs Computing kpt #: 112 total cpu time spent up to now is 489.5 secs Computing kpt #: 113 total cpu time spent up to now is 493.1 secs Computing kpt #: 114 total cpu time spent up to now is 496.8 secs Computing kpt #: 115 total cpu time spent up to now is 500.6 secs Computing kpt #: 116 total cpu time spent up to now is 504.3 secs Computing kpt #: 117 total cpu time spent up to now is 507.9 secs Computing kpt #: 118 total cpu time spent up to now is 511.5 secs Computing kpt #: 119 total cpu time spent up to now is 515.2 secs Computing kpt #: 120 total cpu time spent up to now is 518.6 secs Computing kpt #: 121 total cpu time spent up to now is 522.2 secs Computing kpt #: 122 total cpu time spent up to now is 525.8 secs Computing kpt #: 123 total cpu time spent up to now is 529.5 secs Computing kpt #: 124 total cpu time spent up to now is 533.2 secs Computing kpt #: 125 total cpu time spent up to now is 536.8 secs Computing kpt #: 126 total cpu time spent up to now is 540.4 secs Computing kpt #: 127 total cpu time spent up to now is 544.0 secs Computing kpt #: 128 total cpu time spent up to now is 547.6 secs Computing kpt #: 129 total cpu time spent up to now is 551.1 secs Computing kpt #: 130 total cpu time spent up to now is 554.5 secs Computing kpt #: 131 total cpu time spent up to now is 558.9 secs Computing kpt #: 132 total cpu time spent up to now is 562.3 secs Computing kpt #: 133 total cpu time spent up to now is 565.9 secs Computing kpt #: 134 total cpu time spent up to now is 569.3 secs Computing kpt #: 135 total cpu time spent up to now is 572.7 secs Computing kpt #: 136 total cpu time spent up to now is 577.4 secs Computing kpt #: 137 total cpu time spent up to now is 582.0 secs Computing kpt #: 138 total cpu time spent up to now is 586.9 secs Computing kpt #: 139 total cpu time spent up to now is 591.6 secs Computing kpt #: 140 total cpu time spent up to now is 595.3 secs Computing kpt #: 141 total cpu time spent up to now is 599.1 secs Computing kpt #: 142 total cpu time spent up to now is 603.8 secs Computing kpt #: 143 total cpu time spent up to now is 608.5 secs Computing kpt #: 144 total cpu time spent up to now is 613.2 secs Computing kpt #: 145 total cpu time spent up to now is 617.9 secs Computing kpt #: 146 total cpu time spent up to now is 622.2 secs Computing kpt #: 147 total cpu time spent up to now is 626.9 secs Computing kpt #: 148 total cpu time spent up to now is 631.4 secs Computing kpt #: 149 total cpu time spent up to now is 636.7 secs Computing kpt #: 150 total cpu time spent up to now is 642.0 secs Computing kpt #: 151 total cpu time spent up to now is 646.6 secs Computing kpt #: 152 total cpu time spent up to now is 651.1 secs Computing kpt #: 153 total cpu time spent up to now is 655.5 secs Computing kpt #: 154 total cpu time spent up to now is 659.9 secs Computing kpt #: 155 total cpu time spent up to now is 664.0 secs Computing kpt #: 156 total cpu time spent up to now is 667.5 secs Computing kpt #: 157 total cpu time spent up to now is 670.7 secs Computing kpt #: 158 total cpu time spent up to now is 674.7 secs Computing kpt #: 159 total cpu time spent up to now is 678.9 secs Computing kpt #: 160 total cpu time spent up to now is 682.8 secs Computing kpt #: 161 total cpu time spent up to now is 686.1 secs Computing kpt #: 162 total cpu time spent up to now is 690.8 secs Computing kpt #: 163 total cpu time spent up to now is 694.7 secs Computing kpt #: 164 total cpu time spent up to now is 698.6 secs Computing kpt #: 165 total cpu time spent up to now is 701.8 secs Computing kpt #: 166 total cpu time spent up to now is 705.7 secs Computing kpt #: 167 total cpu time spent up to now is 709.3 secs Computing kpt #: 168 total cpu time spent up to now is 713.0 secs Computing kpt #: 169 total cpu time spent up to now is 716.7 secs Computing kpt #: 170 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 724.5 secs Computing kpt #: 171 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 732.4 secs Computing kpt #: 172 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 740.2 secs Computing kpt #: 173 total cpu time spent up to now is 746.3 secs Computing kpt #: 174 total cpu time spent up to now is 750.9 secs Computing kpt #: 175 total cpu time spent up to now is 755.1 secs Computing kpt #: 176 total cpu time spent up to now is 759.5 secs Computing kpt #: 177 total cpu time spent up to now is 763.8 secs Computing kpt #: 178 total cpu time spent up to now is 768.1 secs Computing kpt #: 179 total cpu time spent up to now is 772.4 secs Computing kpt #: 180 total cpu time spent up to now is 776.8 secs Computing kpt #: 181 total cpu time spent up to now is 781.4 secs Computing kpt #: 182 total cpu time spent up to now is 785.7 secs Computing kpt #: 183 total cpu time spent up to now is 790.1 secs Computing kpt #: 184 total cpu time spent up to now is 794.6 secs Computing kpt #: 185 total cpu time spent up to now is 799.4 secs Computing kpt #: 186 total cpu time spent up to now is 803.9 secs Computing kpt #: 187 total cpu time spent up to now is 808.4 secs Computing kpt #: 188 total cpu time spent up to now is 812.9 secs Computing kpt #: 189 total cpu time spent up to now is 817.5 secs Computing kpt #: 190 total cpu time spent up to now is 822.0 secs Computing kpt #: 191 total cpu time spent up to now is 826.7 secs Computing kpt #: 192 total cpu time spent up to now is 831.1 secs Computing kpt #: 193 total cpu time spent up to now is 835.2 secs Computing kpt #: 194 total cpu time spent up to now is 839.3 secs ethr = 1.14E-08, avg # of iterations = 45.0 total cpu time spent up to now is 839.3 secs End of band structure calculation k = 0.0000-0.4373-0.2195 ( 12708 PWs) bands (ev): -61.2210 -61.2210 -61.2142 -61.2142 -34.1298 -34.1298 -34.1019 -34.1019 -25.5736 -25.5736 -25.4388 -25.4388 -25.3746 -25.3746 -25.3614 -25.3614 -6.4118 -6.4118 -5.8667 -5.8667 -5.5574 -5.5574 -5.4030 -5.4030 -4.8090 -4.8090 -4.7932 -4.7932 -3.5127 -3.5127 -3.4257 -3.4257 -3.2757 -3.2757 -3.0439 -3.0439 0.8818 0.8818 1.5197 1.5197 1.9704 1.9704 2.1565 2.1565 2.3698 2.3698 2.5672 2.5672 2.9768 2.9768 3.2037 3.2037 3.3741 3.3741 3.4213 3.4213 3.7878 3.7878 3.8612 3.8612 4.0794 4.0794 4.3800 4.3800 4.5442 4.5442 4.7558 4.7558 4.9624 4.9624 4.9818 4.9818 5.2530 5.2530 5.3579 5.3579 5.5762 5.5762 5.6137 5.6137 5.7996 5.7996 6.0067 6.0067 6.2720 6.2720 6.4129 6.4129 7.1068 7.1068 7.4802 7.4802 8.2360 8.2360 8.6112 8.6112 8.8617 8.8617 9.2061 9.2061 9.2391 9.2391 9.4770 9.4770 9.5652 9.5652 k = 0.0000-0.4190-0.2104 ( 12708 PWs) bands (ev): -61.2210 -61.2210 -61.2142 -61.2142 -34.1298 -34.1298 -34.1019 -34.1019 -25.5736 -25.5736 -25.4388 -25.4388 -25.3746 -25.3746 -25.3614 -25.3614 -6.4140 -6.4140 -5.8638 -5.8638 -5.5571 -5.5571 -5.4024 -5.4024 -4.8093 -4.8093 -4.7937 -4.7937 -3.5131 -3.5131 -3.4282 -3.4282 -3.2737 -3.2737 -3.0439 -3.0439 0.8822 0.8822 1.5159 1.5159 1.9709 1.9709 2.1592 2.1592 2.3710 2.3710 2.5623 2.5623 2.9805 2.9805 3.2049 3.2049 3.3713 3.3713 3.4204 3.4204 3.7889 3.7889 3.8645 3.8645 4.0784 4.0784 4.3774 4.3774 4.5464 4.5464 4.7560 4.7560 4.9538 4.9538 4.9916 4.9916 5.2525 5.2525 5.3582 5.3582 5.5753 5.5753 5.6158 5.6158 5.7994 5.7994 6.0071 6.0071 6.2718 6.2718 6.4116 6.4116 7.1077 7.1077 7.4811 7.4811 8.2407 8.2407 8.6074 8.6074 8.8608 8.8608 9.2042 9.2042 9.2384 9.2384 9.4769 9.4769 9.5664 9.5664 k = 0.0000-0.4008-0.2012 ( 12706 PWs) bands (ev): -61.2210 -61.2210 -61.2142 -61.2142 -34.1298 -34.1298 -34.1019 -34.1019 -25.5736 -25.5736 -25.4388 -25.4388 -25.3746 -25.3746 -25.3613 -25.3613 -6.4204 -6.4204 -5.8553 -5.8553 -5.5562 -5.5562 -5.4006 -5.4006 -4.8103 -4.8103 -4.7953 -4.7953 -3.5144 -3.5144 -3.4351 -3.4351 -3.2681 -3.2681 -3.0440 -3.0440 0.8832 0.8832 1.5046 1.5046 1.9724 1.9724 2.1670 2.1670 2.3744 2.3744 2.5488 2.5488 2.9903 2.9903 3.2081 3.2081 3.3635 3.3635 3.4183 3.4183 3.7930 3.7930 3.8732 3.8732 4.0760 4.0760 4.3704 4.3704 4.5525 4.5525 4.7567 4.7567 4.9409 4.9409 5.0079 5.0079 5.2512 5.2512 5.3590 5.3590 5.5737 5.5737 5.6213 5.6213 5.7987 5.7987 6.0081 6.0081 6.2714 6.2714 6.4082 6.4082 7.1103 7.1103 7.4839 7.4839 8.2543 8.2543 8.5962 8.5962 8.8582 8.8582 9.1989 9.1989 9.2360 9.2360 9.4766 9.4766 9.5700 9.5700 k = 0.0000-0.3826-0.1921 ( 12702 PWs) bands (ev): -61.2210 -61.2210 -61.2142 -61.2142 -34.1298 -34.1298 -34.1019 -34.1019 -25.5736 -25.5736 -25.4388 -25.4388 -25.3745 -25.3745 -25.3613 -25.3613 -6.4305 -6.4305 -5.8416 -5.8416 -5.5547 -5.5547 -5.3975 -5.3975 -4.8118 -4.8118 -4.7979 -4.7979 -3.5166 -3.5166 -3.4455 -3.4455 -3.2598 -3.2598 -3.0443 -3.0443 0.8850 0.8850 1.4869 1.4869 1.9748 1.9748 2.1791 2.1791 2.3797 2.3797 2.5297 2.5297 3.0031 3.0031 3.2121 3.2121 3.3523 3.3523 3.4157 3.4157 3.8016 3.8016 3.8850 3.8850 4.0727 4.0727 4.3604 4.3604 4.5604 4.5604 4.7580 4.7580 4.9285 4.9285 5.0252 5.0252 5.2497 5.2497 5.3601 5.3601 5.5724 5.5724 5.6289 5.6289 5.7978 5.7978 6.0096 6.0096 6.2706 6.2706 6.4032 6.4032 7.1142 7.1142 7.4889 7.4889 8.2755 8.2755 8.5787 8.5787 8.8539 8.8539 9.1910 9.1910 9.2316 9.2316 9.4760 9.4760 9.5755 9.5755 k = 0.0000-0.3644-0.1829 ( 12699 PWs) bands (ev): -61.2210 -61.2210 -61.2142 -61.2142 -34.1298 -34.1298 -34.1019 -34.1019 -25.5736 -25.5736 -25.4388 -25.4388 -25.3745 -25.3745 -25.3613 -25.3613 -6.4438 -6.4438 -5.8234 -5.8234 -5.5526 -5.5526 -5.3933 -5.3933 -4.8140 -4.8140 -4.8014 -4.8014 -3.5196 -3.5196 -3.4581 -3.4581 -3.2499 -3.2499 -3.0451 -3.0451 0.8874 0.8874 1.4638 1.4638 1.9777 1.9777 2.1948 2.1948 2.3852 2.3852 2.5091 2.5091 3.0150 3.0150 3.2134 3.2134 3.3416 3.3416 3.4141 3.4141 3.8151 3.8151 3.8975 3.8975 4.0697 4.0697 4.3488 4.3488 4.5682 4.5682 4.7602 4.7602 4.9174 4.9174 5.0419 5.0419 5.2486 5.2486 5.3613 5.3613 5.5721 5.5721 5.6375 5.6375 5.7971 5.7971 6.0115 6.0115 6.2694 6.2694 6.3979 6.3979 7.1192 7.1192 7.4964 7.4964 8.3012 8.3012 8.5573 8.5573 8.8481 8.8481 9.1813 9.1813 9.2252 9.2252 9.4750 9.4750 9.5826 9.5826 k = 0.0000-0.3462-0.1738 ( 12700 PWs) bands (ev): -61.2210 -61.2210 -61.2142 -61.2142 -34.1298 -34.1298 -34.1019 -34.1019 -25.5736 -25.5736 -25.4388 -25.4388 -25.3745 -25.3745 -25.3613 -25.3613 -6.4595 -6.4595 -5.8016 -5.8016 -5.5500 -5.5500 -5.3879 -5.3879 -4.8170 -4.8170 -4.8059 -4.8059 -3.5236 -3.5236 -3.4717 -3.4717 -3.2390 -3.2390 -3.0464 -3.0464 0.8904 0.8904 1.4367 1.4367 1.9809 1.9809 2.2131 2.2131 2.3878 2.3878 2.4928 2.4928 3.0228 3.0228 3.2066 3.2066 3.3380 3.3380 3.4144 3.4144 3.8329 3.8329 3.9094 3.9094 4.0683 4.0683 4.3368 4.3368 4.5742 4.5742 4.7630 4.7630 4.9077 4.9077 5.0565 5.0565 5.2492 5.2492 5.3627 5.3627 5.5728 5.5728 5.6464 5.6464 5.7972 5.7972 6.0135 6.0135 6.2678 6.2678 6.3929 6.3929 7.1250 7.1250 7.5071 7.5071 8.3263 8.3263 8.5362 8.5362 8.8412 8.8412 9.1704 9.1704 9.2172 9.2172 9.4736 9.4736 9.5907 9.5907 k = 0.0000-0.3279-0.1646 ( 12688 PWs) bands (ev): -61.2210 -61.2210 -61.2142 -61.2142 -34.1298 -34.1298 -34.1019 -34.1019 -25.5736 -25.5736 -25.4388 -25.4388 -25.3745 -25.3745 -25.3613 -25.3613 -6.4769 -6.4769 -5.7768 -5.7768 -5.5468 -5.5468 -5.3814 -5.3814 -4.8206 -4.8206 -4.8114 -4.8114 -3.5289 -3.5289 -3.4851 -3.4851 -3.2279 -3.2279 -3.0485 -3.0485 0.8939 0.8939 1.4068 1.4068 1.9842 1.9842 2.2332 2.2332 2.3824 2.3824 2.4875 2.4875 3.0242 3.0242 3.1880 3.1880 3.3457 3.3457 3.4169 3.4169 3.8539 3.8539 3.9202 3.9202 4.0694 4.0694 4.3252 4.3252 4.5776 4.5776 4.7660 4.7660 4.8997 4.8997 5.0675 5.0675 5.2526 5.2526 5.3644 5.3644 5.5739 5.5739 5.6552 5.6552 5.7991 5.7991 6.0156 6.0156 6.2662 6.2662 6.3887 6.3887 7.1313 7.1313 7.5215 7.5215 8.3411 8.3411 8.5236 8.5236 8.8341 8.8341 9.1585 9.1585 9.2086 9.2086 9.4715 9.4715 9.5992 9.5992 k = 0.0000-0.3097-0.1555 ( 12692 PWs) bands (ev): -61.2210 -61.2210 -61.2142 -61.2142 -34.1298 -34.1298 -34.1019 -34.1019 -25.5736 -25.5736 -25.4388 -25.4388 -25.3745 -25.3745 -25.3613 -25.3613 -6.4954 -6.4954 -5.7498 -5.7498 -5.5431 -5.5431 -5.3739 -5.3739 -4.8250 -4.8250 -4.8177 -4.8177 -3.5361 -3.5361 -3.4969 -3.4969 -3.2167 -3.2167 -3.0517 -3.0517 0.8979 0.8979 1.3752 1.3752 1.9875 1.9875 2.2537 2.2537 2.3692 2.3692 2.4950 2.4950 3.0183 3.0183 3.1605 3.1605 3.3616 3.3616 3.4223 3.4223 3.8762 3.8762 3.9303 3.9303 4.0740 4.0740 4.3145 4.3145 4.5781 4.5781 4.7682 4.7682 4.8932 4.8932 5.0739 5.0739 5.2599 5.2599 5.3665 5.3665 5.5744 5.5744 5.6634 5.6634 5.8038 5.8038 6.0176 6.0176 6.2648 6.2648 6.3851 6.3851 7.1378 7.1378 7.5401 7.5401 8.3353 8.3353 8.5275 8.5275 8.8288 8.8288 9.1459 9.1459 9.2002 9.2002 9.4686 9.4686 9.6073 9.6073 k = 0.0000-0.2915-0.1463 ( 12698 PWs) bands (ev): -61.2210 -61.2210 -61.2142 -61.2142 -34.1298 -34.1298 -34.1019 -34.1019 -25.5736 -25.5736 -25.4389 -25.4389 -25.3745 -25.3745 -25.3613 -25.3613 -6.5145 -6.5145 -5.7213 -5.7213 -5.5387 -5.5387 -5.3653 -5.3653 -4.8303 -4.8303 -4.8247 -4.8247 -3.5455 -3.5455 -3.5060 -3.5060 -3.2060 -3.2060 -3.0561 -3.0561 0.9023 0.9023 1.3429 1.3429 1.9906 1.9906 2.2717 2.2717 2.3553 2.3553 2.5111 2.5111 3.0045 3.0045 3.1294 3.1294 3.3783 3.3783 3.4329 3.4329 3.8975 3.8975 3.9402 3.9402 4.0828 4.0828 4.3052 4.3052 4.5761 4.5761 4.7688 4.7688 4.8880 4.8880 5.0765 5.0765 5.2714 5.2714 5.3694 5.3694 5.5737 5.5737 5.6710 5.6710 5.8121 5.8121 6.0195 6.0195 6.2640 6.2640 6.3817 6.3817 7.1444 7.1444 7.5635 7.5635 8.3094 8.3094 8.5439 8.5439 8.8283 8.8283 9.1327 9.1327 9.1931 9.1931 9.4652 9.4652 9.6145 9.6145 k = 0.0000-0.2733-0.1372 ( 12701 PWs) bands (ev): -61.2210 -61.2210 -61.2142 -61.2142 -34.1298 -34.1298 -34.1019 -34.1019 -25.5736 -25.5736 -25.4389 -25.4389 -25.3745 -25.3745 -25.3613 -25.3613 -6.5338 -6.5338 -5.6919 -5.6919 -5.5338 -5.5338 -5.3558 -5.3558 -4.8365 -4.8365 -4.8325 -4.8325 -3.5570 -3.5570 -3.5122 -3.5122 -3.1959 -3.1959 -3.0619 -3.0619 0.9069 0.9069 1.3106 1.3106 1.9938 1.9938 2.2797 2.2797 2.3522 2.3522 2.5315 2.5315 2.9823 2.9823 3.0992 3.0992 3.3888 3.3888 3.4518 3.4518 3.9150 3.9150 3.9512 3.9512 4.0965 4.0965 4.2975 4.2975 4.5717 4.5717 4.7669 4.7669 4.8836 4.8836 5.0773 5.0773 5.2858 5.2858 5.3733 5.3733 5.5714 5.5714 5.6777 5.6777 5.8240 5.8240 6.0214 6.0214 6.2642 6.2642 6.3778 6.3778 7.1509 7.1509 7.5920 7.5920 8.2721 8.2721 8.5599 8.5599 8.8369 8.8369 9.1195 9.1195 9.1879 9.1879 9.4612 9.4612 9.6201 9.6201 k = 0.0000-0.2551-0.1280 ( 12706 PWs) bands (ev): -61.2210 -61.2210 -61.2142 -61.2142 -34.1298 -34.1298 -34.1019 -34.1019 -25.5736 -25.5736 -25.4389 -25.4389 -25.3745 -25.3745 -25.3613 -25.3613 -6.5529 -6.5529 -5.6621 -5.6621 -5.5282 -5.5282 -5.3456 -5.3456 -4.8438 -4.8438 -4.8407 -4.8407 -3.5693 -3.5693 -3.5161 -3.5161 -3.1866 -3.1866 -3.0690 -3.0690 0.9115 0.9115 1.2790 1.2790 1.9972 1.9972 2.2732 2.2732 2.3663 2.3663 2.5537 2.5537 2.9521 2.9521 3.0724 3.0724 3.3928 3.3928 3.4770 3.4770 3.9256 3.9256 3.9647 3.9647 4.1149 4.1149 4.2916 4.2916 4.5655 4.5655 4.7616 4.7616 4.8795 4.8795 5.0794 5.0794 5.3013 5.3013 5.3786 5.3786 5.5680 5.5680 5.6834 5.6834 5.8388 5.8388 6.0231 6.0231 6.2653 6.2653 6.3728 6.3728 7.1570 7.1570 7.6260 7.6260 8.2300 8.2300 8.5656 8.5656 8.8574 8.8574 9.1066 9.1066 9.1850 9.1850 9.4570 9.4570 9.6237 9.6237 k = 0.0000-0.2368-0.1189 ( 12714 PWs) bands (ev): -61.2210 -61.2210 -61.2142 -61.2142 -34.1298 -34.1298 -34.1019 -34.1019 -25.5736 -25.5736 -25.4389 -25.4389 -25.3746 -25.3746 -25.3613 -25.3613 -6.5714 -6.5714 -5.6327 -5.6327 -5.5216 -5.5216 -5.3346 -5.3346 -4.8521 -4.8521 -4.8494 -4.8494 -3.5815 -3.5815 -3.5183 -3.5183 -3.1785 -3.1785 -3.0773 -3.0773 0.9162 0.9162 1.2486 1.2486 2.0008 2.0008 2.2605 2.2605 2.3902 2.3902 2.5762 2.5762 2.9159 2.9159 3.0487 3.0487 3.3937 3.3937 3.5046 3.5046 3.9289 3.9289 3.9802 3.9802 4.1367 4.1367 4.2881 4.2881 4.5580 4.5580 4.7520 4.7520 4.8767 4.8767 5.0854 5.0854 5.3159 5.3159 5.3858 5.3858 5.5642 5.5642 5.6882 5.6882 5.8552 5.8552 6.0246 6.0246 6.2668 6.2668 6.3668 6.3668 7.1624 7.1624 7.6652 7.6652 8.1870 8.1870 8.5582 8.5582 8.8887 8.8887 9.0947 9.0947 9.1850 9.1850 9.4529 9.4529 9.6251 9.6251 k = 0.0000-0.2186-0.1098 ( 12711 PWs) bands (ev): -61.2210 -61.2210 -61.2142 -61.2142 -34.1298 -34.1298 -34.1019 -34.1019 -25.5736 -25.5736 -25.4389 -25.4389 -25.3746 -25.3746 -25.3613 -25.3613 -6.5893 -6.5893 -5.6045 -5.6045 -5.5138 -5.5138 -5.3231 -5.3231 -4.8613 -4.8613 -4.8585 -4.8585 -3.5930 -3.5930 -3.5190 -3.5190 -3.1719 -3.1719 -3.0866 -3.0866 0.9206 0.9206 1.2197 1.2197 2.0048 2.0048 2.2480 2.2480 2.4171 2.4171 2.5980 2.5980 2.8766 2.8766 3.0269 3.0269 3.3942 3.3942 3.5318 3.5318 3.9264 3.9264 3.9960 3.9960 4.1590 4.1590 4.2874 4.2874 4.5498 4.5498 4.7375 4.7375 4.8768 4.8768 5.0966 5.0966 5.3278 5.3278 5.3954 5.3954 5.5608 5.5608 5.6920 5.6920 5.8716 5.8716 6.0260 6.0260 6.2676 6.2676 6.3606 6.3606 7.1671 7.1671 7.7092 7.7092 8.1457 8.1457 8.5397 8.5397 8.9256 8.9256 9.0844 9.0844 9.1884 9.1884 9.4492 9.4492 9.6245 9.6245 k = 0.0000-0.2004-0.1006 ( 12715 PWs) bands (ev): -61.2210 -61.2210 -61.2142 -61.2142 -34.1298 -34.1298 -34.1019 -34.1019 -25.5736 -25.5736 -25.4389 -25.4389 -25.3746 -25.3746 -25.3613 -25.3613 -6.6062 -6.6062 -5.5787 -5.5787 -5.5037 -5.5037 -5.3113 -5.3113 -4.8711 -4.8711 -4.8682 -4.8682 -3.6033 -3.6033 -3.5186 -3.5186 -3.1675 -3.1675 -3.0961 -3.0961 0.9248 0.9248 1.1928 1.1928 2.0093 2.0093 2.2382 2.2382 2.4440 2.4440 2.6186 2.6186 2.8372 2.8372 3.0053 3.0053 3.3963 3.3963 3.5575 3.5575 3.9196 3.9196 4.0106 4.0106 4.1781 4.1781 4.2901 4.2901 4.5413 4.5413 4.7187 4.7187 4.8814 4.8814 5.1130 5.1130 5.3365 5.3365 5.4068 5.4068 5.5588 5.5588 5.6949 5.6949 5.8865 5.8865 6.0271 6.0271 6.2655 6.2655 6.3562 6.3562 7.1707 7.1707 7.7573 7.7573 8.1080 8.1080 8.5136 8.5136 8.9620 8.9620 9.0764 9.0764 9.1960 9.1960 9.4465 9.4465 9.6220 9.6220 k = 0.0000-0.1822-0.0915 ( 12710 PWs) bands (ev): -61.2210 -61.2210 -61.2142 -61.2142 -34.1298 -34.1298 -34.1019 -34.1019 -25.5736 -25.5736 -25.4389 -25.4389 -25.3746 -25.3746 -25.3613 -25.3613 -6.6221 -6.6221 -5.5570 -5.5570 -5.4902 -5.4902 -5.2992 -5.2992 -4.8813 -4.8813 -4.8786 -4.8786 -3.6122 -3.6122 -3.5169 -3.5169 -3.1665 -3.1665 -3.1045 -3.1045 0.9285 0.9285 1.1679 1.1679 2.0144 2.0144 2.2322 2.2322 2.4684 2.4684 2.6371 2.6371 2.8008 2.8008 2.9830 2.9830 3.4015 3.4015 3.5810 3.5810 3.9100 3.9100 4.0231 4.0231 4.1910 4.1910 4.2959 4.2959 4.5335 4.5335 4.6976 4.6976 4.8914 4.8914 5.1341 5.1341 5.3426 5.3426 5.4189 5.4189 5.5587 5.5587 5.6971 5.6971 5.8985 5.8985 6.0279 6.0279 6.2581 6.2581 6.3557 6.3557 7.1732 7.1732 7.8080 7.8080 8.0756 8.0756 8.4827 8.4827 8.9924 8.9924 9.0719 9.0719 9.2084 9.2084 9.4451 9.4451 9.6180 9.6180 k = 0.0000-0.1640-0.0823 ( 12697 PWs) bands (ev): -61.2210 -61.2210 -61.2142 -61.2142 -34.1298 -34.1298 -34.1019 -34.1019 -25.5736 -25.5736 -25.4389 -25.4389 -25.3745 -25.3745 -25.3613 -25.3613 -6.6367 -6.6367 -5.5404 -5.5404 -5.4724 -5.4724 -5.2872 -5.2872 -4.8916 -4.8916 -4.8896 -4.8896 -3.6197 -3.6197 -3.5140 -3.5140 -3.1702 -3.1702 -3.1103 -3.1103 0.9318 0.9318 1.1453 1.1453 2.0200 2.0200 2.2303 2.2303 2.4881 2.4881 2.6511 2.6511 2.7720 2.7720 2.9595 2.9595 3.4104 3.4104 3.6017 3.6017 3.8987 3.8987 4.0328 4.0328 4.1965 4.1965 4.3025 4.3025 4.5266 4.5266 4.6774 4.6774 4.9069 4.9069 5.1586 5.1586 5.3475 5.3475 5.4303 5.4303 5.5609 5.5609 5.6985 5.6985 5.9069 5.9069 6.0280 6.0280 6.2443 6.2443 6.3599 6.3599 7.1748 7.1748 7.8592 7.8592 8.0503 8.0503 8.4489 8.4489 9.0121 9.0121 9.0726 9.0726 9.2257 9.2257 9.4455 9.4455 9.6131 9.6131 k = 0.0000-0.1458-0.0732 ( 12707 PWs) bands (ev): -61.2210 -61.2210 -61.2142 -61.2142 -34.1298 -34.1298 -34.1019 -34.1019 -25.5736 -25.5736 -25.4389 -25.4389 -25.3746 -25.3746 -25.3613 -25.3613 -6.6501 -6.6501 -5.5287 -5.5287 -5.4512 -5.4512 -5.2755 -5.2755 -4.9020 -4.9020 -4.9009 -4.9009 -3.6257 -3.6257 -3.5099 -3.5099 -3.1792 -3.1792 -3.1128 -3.1128 0.9346 0.9346 1.1251 1.1251 2.0261 2.0261 2.2325 2.2325 2.5009 2.5009 2.6547 2.6547 2.7587 2.7587 2.9349 2.9349 3.4231 3.4231 3.6192 3.6192 3.8869 3.8869 4.0394 4.0394 4.1954 4.1954 4.3070 4.3070 4.5203 4.5203 4.6613 4.6613 4.9275 4.9275 5.1850 5.1850 5.3523 5.3523 5.4400 5.4400 5.5654 5.5654 5.6992 5.6992 5.9115 5.9115 6.0272 6.0272 6.2253 6.2253 6.3676 6.3676 7.1757 7.1757 7.9073 7.9073 8.0346 8.0346 8.4140 8.4140 9.0207 9.0207 9.0781 9.0781 9.2465 9.2465 9.4482 9.4482 9.6075 9.6075 k = 0.0000-0.1275-0.0640 ( 12717 PWs) bands (ev): -61.2211 -61.2211 -61.2142 -61.2142 -34.1298 -34.1298 -34.1019 -34.1019 -25.5736 -25.5736 -25.4389 -25.4389 -25.3746 -25.3746 -25.3613 -25.3613 -6.6621 -6.6621 -5.5202 -5.5202 -5.4285 -5.4285 -5.2644 -5.2644 -4.9131 -4.9131 -4.9114 -4.9114 -3.6303 -3.6303 -3.5047 -3.5047 -3.1922 -3.1922 -3.1127 -3.1127 0.9369 0.9369 1.1072 1.1072 2.0326 2.0326 2.2387 2.2387 2.5053 2.5053 2.6458 2.6458 2.7649 2.7649 2.9098 2.9098 3.4394 3.4394 3.6330 3.6330 3.8760 3.8760 4.0432 4.0432 4.1884 4.1884 4.3078 4.3078 4.5134 4.5134 4.6517 4.6517 4.9522 4.9522 5.2117 5.2117 5.3583 5.3583 5.4478 5.4478 5.5719 5.5719 5.6992 5.6992 5.9126 5.9126 6.0253 6.0253 6.2026 6.2026 6.3773 6.3773 7.1762 7.1762 7.9446 7.9446 8.0342 8.0342 8.3795 8.3795 9.0229 9.0229 9.0845 9.0845 9.2684 9.2684 9.4533 9.4533 9.6015 9.6015 k = 0.0000-0.1093-0.0549 ( 12709 PWs) bands (ev): -61.2210 -61.2210 -61.2142 -61.2142 -34.1298 -34.1298 -34.1019 -34.1019 -25.5736 -25.5736 -25.4389 -25.4389 -25.3746 -25.3746 -25.3613 -25.3613 -6.6725 -6.6725 -5.5137 -5.5137 -5.4058 -5.4058 -5.2541 -5.2541 -4.9246 -4.9246 -4.9210 -4.9210 -3.6338 -3.6338 -3.4984 -3.4984 -3.2075 -3.2075 -3.1115 -3.1115 0.9388 0.9388 1.0917 1.0917 2.0394 2.0394 2.2483 2.2483 2.5005 2.5005 2.6322 2.6322 2.7824 2.7824 2.8857 2.8857 3.4584 3.4584 3.6424 3.6424 3.8674 3.8674 4.0445 4.0445 4.1760 4.1760 4.3053 4.3053 4.5051 4.5051 4.6491 4.6491 4.9797 4.9797 5.2369 5.2369 5.3664 5.3664 5.4539 5.4539 5.5798 5.5798 5.6982 5.6982 5.9106 5.9106 6.0222 6.0222 6.1776 6.1776 6.3876 6.3876 7.1764 7.1764 7.9634 7.9634 8.0545 8.0545 8.3474 8.3474 9.0231 9.0231 9.0890 9.0890 9.2889 9.2889 9.4607 9.4607 9.5953 9.5953 k = 0.0000-0.0911-0.0457 ( 12698 PWs) bands (ev): -61.2210 -61.2210 -61.2142 -61.2142 -34.1298 -34.1298 -34.1019 -34.1019 -25.5736 -25.5736 -25.4389 -25.4389 -25.3745 -25.3745 -25.3613 -25.3613 -6.6815 -6.6815 -5.5086 -5.5086 -5.3843 -5.3843 -5.2451 -5.2451 -4.9357 -4.9357 -4.9298 -4.9298 -3.6362 -3.6362 -3.4913 -3.4913 -3.2236 -3.2236 -3.1098 -3.1098 0.9403 0.9403 1.0787 1.0787 2.0464 2.0464 2.2605 2.2605 2.4880 2.4880 2.6208 2.6208 2.8010 2.8010 2.8659 2.8659 3.4791 3.4791 3.6466 3.6466 3.8622 3.8622 4.0442 4.0442 4.1593 4.1593 4.3010 4.3010 4.4960 4.4960 4.6519 4.6519 5.0083 5.0083 5.2594 5.2594 5.3765 5.3765 5.4588 5.4588 5.5889 5.5889 5.6960 5.6960 5.9063 5.9063 6.0188 6.0188 6.1515 6.1515 6.3974 6.3974 7.1767 7.1767 7.9713 7.9713 8.0839 8.0839 8.3200 8.3200 9.0232 9.0232 9.0910 9.0910 9.3068 9.3068 9.4695 9.4695 9.5889 9.5889 k = 0.0000-0.0729-0.0366 ( 12695 PWs) bands (ev): -61.2210 -61.2210 -61.2142 -61.2142 -34.1298 -34.1298 -34.1019 -34.1019 -25.5736 -25.5736 -25.4389 -25.4389 -25.3745 -25.3745 -25.3613 -25.3613 -6.6889 -6.6889 -5.5047 -5.5047 -5.3649 -5.3649 -5.2375 -5.2375 -4.9458 -4.9458 -4.9377 -4.9377 -3.6378 -3.6378 -3.4838 -3.4838 -3.2393 -3.2393 -3.1081 -3.1081 0.9414 0.9414 1.0680 1.0680 2.0531 2.0531 2.2745 2.2745 2.4707 2.4707 2.6125 2.6125 2.8082 2.8082 2.8597 2.8597 3.5003 3.5003 3.6455 3.6455 3.8612 3.8612 4.0434 4.0434 4.1395 4.1395 4.2959 4.2959 4.4874 4.4874 4.6573 4.6573 5.0356 5.0356 5.2787 5.2787 5.3874 5.3874 5.4633 5.4633 5.5988 5.5988 5.6922 5.6922 5.9004 5.9004 6.0162 6.0162 6.1253 6.1253 6.4062 6.4062 7.1771 7.1771 7.9784 7.9784 8.1073 8.1073 8.3008 8.3008 9.0239 9.0239 9.0907 9.0907 9.3215 9.3215 9.4787 9.4787 9.5823 9.5823 k = 0.0000-0.0547-0.0274 ( 12685 PWs) bands (ev): -61.2210 -61.2210 -61.2142 -61.2142 -34.1297 -34.1297 -34.1019 -34.1019 -25.5736 -25.5736 -25.4389 -25.4389 -25.3745 -25.3745 -25.3613 -25.3613 -6.6947 -6.6947 -5.5016 -5.5016 -5.3485 -5.3485 -5.2316 -5.2316 -4.9545 -4.9545 -4.9442 -4.9442 -3.6388 -3.6388 -3.4765 -3.4765 -3.2536 -3.2536 -3.1067 -3.1067 0.9422 0.9422 1.0596 1.0596 2.0593 2.0593 2.2890 2.2890 2.4523 2.4523 2.6066 2.6066 2.7995 2.7995 2.8702 2.8702 3.5209 3.5209 3.6395 3.6395 3.8637 3.8637 4.0431 4.0431 4.1185 4.1185 4.2908 4.2908 4.4803 4.4803 4.6633 4.6633 5.0592 5.0592 5.2953 5.2953 5.3965 5.3965 5.4677 5.4677 5.6099 5.6099 5.6864 5.6864 5.8940 5.8940 6.0158 6.0158 6.0999 6.0999 6.4135 6.4135 7.1776 7.1776 7.9874 7.9874 8.1174 8.1174 8.2927 8.2927 9.0252 9.0252 9.0889 9.0889 9.3330 9.3330 9.4873 9.4873 9.5759 9.5759 k = 0.0000-0.0364-0.0183 ( 12681 PWs) bands (ev): -61.2210 -61.2210 -61.2142 -61.2142 -34.1297 -34.1297 -34.1019 -34.1019 -25.5736 -25.5736 -25.4389 -25.4389 -25.3745 -25.3745 -25.3612 -25.3612 -6.6988 -6.6988 -5.4995 -5.4995 -5.3358 -5.3358 -5.2275 -5.2275 -4.9612 -4.9612 -4.9492 -4.9492 -3.6393 -3.6393 -3.4701 -3.4701 -3.2652 -3.2652 -3.1056 -3.1056 0.9428 0.9428 1.0537 1.0537 2.0642 2.0642 2.3024 2.3024 2.4358 2.4358 2.6024 2.6024 2.7877 2.7877 2.8837 2.8837 3.5398 3.5398 3.6303 3.6303 3.8682 3.8682 4.0447 4.0447 4.0984 4.0984 4.2866 4.2866 4.4751 4.4751 4.6684 4.6684 5.0772 5.0772 5.3093 5.3093 5.4021 5.4021 5.4717 5.4717 5.6221 5.6221 5.6783 5.6783 5.8883 5.8883 6.0189 6.0189 6.0763 6.0763 6.4189 6.4189 7.1780 7.1780 7.9980 7.9980 8.1150 8.1150 8.2937 8.2937 9.0270 9.0270 9.0864 9.0864 9.3415 9.3415 9.4944 9.4944 9.5701 9.5701 k = 0.0000-0.0182-0.0091 ( 12689 PWs) bands (ev): -61.2210 -61.2210 -61.2142 -61.2142 -34.1298 -34.1298 -34.1019 -34.1019 -25.5736 -25.5736 -25.4389 -25.4389 -25.3745 -25.3745 -25.3613 -25.3613 -6.7013 -6.7013 -5.4982 -5.4982 -5.3278 -5.3278 -5.2251 -5.2251 -4.9654 -4.9654 -4.9523 -4.9523 -3.6396 -3.6396 -3.4656 -3.4656 -3.2729 -3.2729 -3.1050 -3.1050 0.9432 0.9432 1.0501 1.0501 2.0675 2.0675 2.3124 2.3124 2.4239 2.4239 2.5997 2.5997 2.7793 2.7793 2.8933 2.8933 3.5547 3.5547 3.6208 3.6208 3.8722 3.8722 4.0488 4.0488 4.0815 4.0815 4.2838 4.2838 4.4721 4.4721 4.6718 4.6718 5.0883 5.0883 5.3193 5.3193 5.4042 5.4042 5.4746 5.4746 5.6347 5.6347 5.6684 5.6684 5.8844 5.8844 6.0264 6.0264 6.0556 6.0556 6.4222 6.4222 7.1784 7.1784 8.0075 8.0075 8.1075 8.1075 8.2978 8.2978 9.0285 9.0285 9.0842 9.0842 9.3467 9.3467 9.4991 9.4991 9.5660 9.5660 k = 0.0000 0.0000 0.0000 ( 12695 PWs) bands (ev): -61.2210 -61.2210 -61.2142 -61.2142 -34.1298 -34.1298 -34.1019 -34.1019 -25.5736 -25.5736 -25.4389 -25.4389 -25.3745 -25.3745 -25.3613 -25.3613 -6.7022 -6.7022 -5.4977 -5.4977 -5.3250 -5.3250 -5.2243 -5.2243 -4.9668 -4.9668 -4.9533 -4.9533 -3.6397 -3.6397 -3.4640 -3.4640 -3.2756 -3.2756 -3.1048 -3.1048 0.9433 0.9433 1.0489 1.0489 2.0687 2.0687 2.3162 2.3162 2.4195 2.4195 2.5988 2.5988 2.7764 2.7764 2.8967 2.8967 3.5610 3.5610 3.6161 3.6161 3.8738 3.8738 4.0525 4.0525 4.0733 4.0733 4.2828 4.2828 4.4711 4.4711 4.6730 4.6730 5.0921 5.0921 5.3231 5.3231 5.4046 5.4046 5.4757 5.4757 5.6424 5.6424 5.6617 5.6617 5.8830 5.8830 6.0375 6.0375 6.0399 6.0399 6.4233 6.4233 7.1785 7.1785 8.0116 8.0116 8.1036 8.1036 8.2998 8.2998 9.0291 9.0291 9.0833 9.0833 9.3484 9.3484 9.5008 9.5008 9.5644 9.5644 k = 0.0000 0.0000 0.0000 ( 12695 PWs) bands (ev): -61.2210 -61.2210 -61.2142 -61.2142 -34.1298 -34.1298 -34.1019 -34.1019 -25.5736 -25.5736 -25.4389 -25.4389 -25.3745 -25.3745 -25.3613 -25.3613 -6.7022 -6.7022 -5.4977 -5.4977 -5.3250 -5.3250 -5.2243 -5.2243 -4.9668 -4.9668 -4.9533 -4.9533 -3.6397 -3.6397 -3.4640 -3.4640 -3.2756 -3.2756 -3.1048 -3.1048 0.9433 0.9433 1.0489 1.0489 2.0687 2.0687 2.3162 2.3162 2.4195 2.4195 2.5988 2.5988 2.7764 2.7764 2.8967 2.8967 3.5610 3.5610 3.6161 3.6161 3.8738 3.8738 4.0525 4.0525 4.0733 4.0733 4.2828 4.2828 4.4711 4.4711 4.6730 4.6730 5.0921 5.0921 5.3231 5.3231 5.4046 5.4046 5.4757 5.4757 5.6424 5.6424 5.6617 5.6617 5.8830 5.8830 6.0375 6.0375 6.0399 6.0399 6.4233 6.4233 7.1785 7.1785 8.0116 8.0116 8.1036 8.1036 8.2998 8.2998 9.0291 9.0291 9.0833 9.0833 9.3484 9.3484 9.5008 9.5008 9.5644 9.5644 k = 0.0192 0.0038 0.0067 ( 12686 PWs) bands (ev): -61.2210 -61.2210 -61.2142 -61.2142 -34.1297 -34.1297 -34.1019 -34.1019 -25.5734 -25.5734 -25.4389 -25.4389 -25.3745 -25.3745 -25.3613 -25.3613 -6.7011 -6.7011 -5.4977 -5.4977 -5.3255 -5.3255 -5.2247 -5.2247 -4.9668 -4.9668 -4.9544 -4.9544 -3.6397 -3.6397 -3.4641 -3.4641 -3.2757 -3.2757 -3.1050 -3.1050 0.9475 0.9475 1.0499 1.0499 2.0664 2.0664 2.3173 2.3173 2.4199 2.4199 2.5994 2.5994 2.7782 2.7782 2.8930 2.8930 3.5520 3.5520 3.6221 3.6221 3.8725 3.8725 4.0431 4.0431 4.0894 4.0894 4.2845 4.2845 4.4721 4.4721 4.6711 4.6711 5.0922 5.0922 5.3215 5.3215 5.4026 5.4026 5.4741 5.4741 5.6386 5.6386 5.6659 5.6659 5.8804 5.8804 6.0318 6.0318 6.0510 6.0510 6.4235 6.4235 7.1743 7.1743 8.0095 8.0095 8.1044 8.1044 8.2993 8.2993 9.0301 9.0301 9.0849 9.0849 9.3467 9.3467 9.5012 9.5012 9.5625 9.5625 k = 0.0385 0.0077 0.0135 ( 12688 PWs) bands (ev): -61.2210 -61.2210 -61.2142 -61.2142 -34.1297 -34.1297 -34.1020 -34.1020 -25.5730 -25.5730 -25.4391 -25.4391 -25.3747 -25.3747 -25.3614 -25.3614 -6.6977 -6.6977 -5.4976 -5.4976 -5.3268 -5.3268 -5.2261 -5.2261 -4.9672 -4.9672 -4.9572 -4.9572 -3.6397 -3.6397 -3.4644 -3.4644 -3.2761 -3.2761 -3.1056 -3.1056 0.9601 0.9601 1.0532 1.0532 2.0596 2.0596 2.3205 2.3205 2.4214 2.4214 2.6012 2.6012 2.7828 2.7828 2.8827 2.8827 3.5315 3.5315 3.6336 3.6336 3.8687 3.8687 4.0339 4.0339 4.1182 4.1182 4.2896 4.2896 4.4752 4.4752 4.6658 4.6658 5.0926 5.0926 5.3163 5.3163 5.3971 5.3971 5.4695 5.4695 5.6322 5.6322 5.6735 5.6735 5.8734 5.8734 6.0301 6.0301 6.0680 6.0680 6.4240 6.4240 7.1622 7.1622 8.0036 8.0036 8.1063 8.1063 8.2977 8.2977 9.0329 9.0329 9.0898 9.0898 9.3415 9.3415 9.5020 9.5020 9.5570 9.5570 k = 0.0577 0.0115 0.0202 ( 12689 PWs) bands (ev): -61.2210 -61.2210 -61.2142 -61.2142 -34.1295 -34.1295 -34.1021 -34.1021 -25.5723 -25.5723 -25.4395 -25.4395 -25.3749 -25.3749 -25.3615 -25.3615 -6.6922 -6.6922 -5.4976 -5.4976 -5.3289 -5.3289 -5.2283 -5.2283 -4.9702 -4.9702 -4.9594 -4.9594 -3.6397 -3.6397 -3.4647 -3.4647 -3.2767 -3.2767 -3.1066 -3.1066 0.9810 0.9810 1.0586 1.0586 2.0485 2.0485 2.3259 2.3259 2.4238 2.4238 2.6042 2.6042 2.7871 2.7871 2.8695 2.8695 3.5054 3.5054 3.6445 3.6445 3.8632 3.8632 4.0303 4.0303 4.1524 4.1524 4.2982 4.2982 4.4803 4.4803 4.6577 4.6577 5.0930 5.0930 5.3066 5.3066 5.3891 5.3891 5.4622 5.4622 5.6261 5.6261 5.6808 5.6808 5.8636 5.8636 6.0323 6.0323 6.0889 6.0889 6.4249 6.4249 7.1430 7.1430 7.9949 7.9949 8.1087 8.1087 8.2950 8.2950 9.0366 9.0366 9.0982 9.0982 9.3330 9.3330 9.5028 9.5028 9.5481 9.5481 k = 0.0769 0.0153 0.0269 ( 12688 PWs) bands (ev): -61.2209 -61.2209 -61.2143 -61.2143 -34.1294 -34.1294 -34.1023 -34.1023 -25.5714 -25.5714 -25.4399 -25.4399 -25.3753 -25.3753 -25.3618 -25.3618 -6.6845 -6.6845 -5.4976 -5.4976 -5.3318 -5.3318 -5.2317 -5.2317 -4.9773 -4.9773 -4.9593 -4.9593 -3.6397 -3.6397 -3.4653 -3.4653 -3.2775 -3.2775 -3.1079 -3.1079 1.0100 1.0100 1.0662 1.0662 2.0335 2.0335 2.3334 2.3334 2.4273 2.4273 2.6086 2.6086 2.7833 2.7833 2.8618 2.8618 3.4759 3.4759 3.6526 3.6526 3.8567 3.8567 4.0315 4.0315 4.1898 4.1898 4.3104 4.3104 4.4875 4.4875 4.6481 4.6481 5.0932 5.0932 5.2915 5.2915 5.3795 5.3795 5.4533 5.4533 5.6203 5.6203 5.6867 5.6867 5.8527 5.8527 6.0374 6.0374 6.1122 6.1122 6.4260 6.4260 7.1179 7.1179 7.9847 7.9847 8.1109 8.1109 8.2910 8.2910 9.0401 9.0401 9.1100 9.1100 9.3212 9.3212 9.5012 9.5012 9.5377 9.5377 k = 0.0962 0.0191 0.0337 ( 12695 PWs) bands (ev): -61.2209 -61.2209 -61.2143 -61.2143 -34.1291 -34.1291 -34.1025 -34.1025 -25.5702 -25.5702 -25.4406 -25.4406 -25.3757 -25.3757 -25.3620 -25.3620 -6.6746 -6.6746 -5.4977 -5.4977 -5.3353 -5.3353 -5.2365 -5.2365 -4.9872 -4.9872 -4.9577 -4.9577 -3.6397 -3.6397 -3.4660 -3.4660 -3.2785 -3.2785 -3.1096 -3.1096 1.0466 1.0466 1.0764 1.0764 2.0151 2.0151 2.3424 2.3424 2.4317 2.4317 2.6141 2.6141 2.7648 2.7648 2.8672 2.8672 3.4442 3.4442 3.6571 3.6571 3.8499 3.8499 4.0360 4.0360 4.2283 4.2283 4.3264 4.3264 4.4964 4.4964 4.6392 4.6392 5.0927 5.0927 5.2708 5.2708 5.3683 5.3683 5.4443 5.4443 5.6137 5.6137 5.6910 5.6910 5.8419 5.8419 6.0444 6.0444 6.1369 6.1369 6.4274 6.4274 7.0891 7.0891 7.9738 7.9738 8.1122 8.1122 8.2856 8.2856 9.0420 9.0420 9.1252 9.1252 9.3067 9.3067 9.4927 9.4927 9.5301 9.5301 k = 0.1154 0.0230 0.0404 ( 12692 PWs) bands (ev): -61.2208 -61.2208 -61.2144 -61.2144 -34.1288 -34.1288 -34.1028 -34.1028 -25.5687 -25.5687 -25.4414 -25.4414 -25.3761 -25.3761 -25.3624 -25.3624 -6.6625 -6.6625 -5.4981 -5.4981 -5.3394 -5.3394 -5.2429 -5.2429 -4.9988 -4.9988 -4.9557 -4.9557 -3.6395 -3.6395 -3.4668 -3.4668 -3.2797 -3.2797 -3.1116 -3.1116 1.0841 1.0841 1.0957 1.0957 1.9938 1.9938 2.3521 2.3521 2.4373 2.4373 2.6200 2.6200 2.7367 2.7367 2.8819 2.8819 3.4117 3.4117 3.6579 3.6579 3.8434 3.8434 4.0422 4.0422 4.2642 4.2642 4.3472 4.3472 4.5066 4.5066 4.6337 4.6337 5.0911 5.0911 5.2454 5.2454 5.3545 5.3545 5.4368 5.4368 5.6044 5.6044 5.6938 5.6938 5.8323 5.8323 6.0525 6.0525 6.1619 6.1619 6.4289 6.4289 7.0587 7.0587 7.9628 7.9628 8.1125 8.1125 8.2787 8.2787 9.0409 9.0409 9.1430 9.1430 9.2900 9.2900 9.4748 9.4748 9.5274 9.5274 k = 0.1346 0.0268 0.0471 ( 12698 PWs) bands (ev): -61.2207 -61.2207 -61.2145 -61.2145 -34.1285 -34.1285 -34.1031 -34.1031 -25.5670 -25.5670 -25.4423 -25.4423 -25.3766 -25.3766 -25.3627 -25.3627 -6.6482 -6.6482 -5.4989 -5.4989 -5.3439 -5.3439 -5.2511 -5.2511 -5.0111 -5.0111 -4.9534 -4.9534 -3.6393 -3.6393 -3.4678 -3.4678 -3.2810 -3.2810 -3.1139 -3.1139 1.1009 1.1009 1.1455 1.1455 1.9704 1.9704 2.3611 2.3611 2.4440 2.4440 2.6245 2.6245 2.7074 2.7074 2.9000 2.9000 3.3799 3.3799 3.6553 3.6553 3.8372 3.8372 4.0489 4.0489 4.2920 4.2920 4.3745 4.3745 4.5178 4.5178 4.6347 4.6347 5.0875 5.0875 5.2175 5.2175 5.3374 5.3374 5.4309 5.4309 5.5907 5.5907 5.6959 5.6959 5.8244 5.8244 6.0613 6.0613 6.1863 6.1863 6.4304 6.4304 7.0292 7.0292 7.9523 7.9523 8.1117 8.1117 8.2702 8.2702 9.0357 9.0357 9.1613 9.1613 9.2726 9.2726 9.4512 9.4512 9.5258 9.5258 k = 0.1538 0.0306 0.0538 ( 12697 PWs) bands (ev): -61.2207 -61.2207 -61.2146 -61.2146 -34.1281 -34.1281 -34.1035 -34.1035 -25.5650 -25.5650 -25.4435 -25.4435 -25.3772 -25.3772 -25.3632 -25.3632 -6.6319 -6.6319 -5.5005 -5.5005 -5.3488 -5.3488 -5.2614 -5.2614 -5.0234 -5.0234 -4.9511 -4.9511 -3.6388 -3.6388 -3.4689 -3.4689 -3.2825 -3.2825 -3.1164 -3.1164 1.1177 1.1177 1.2048 1.2048 1.9457 1.9457 2.3670 2.3670 2.4519 2.4519 2.6227 2.6227 2.6867 2.6867 2.9174 2.9174 3.3512 3.3512 3.6500 3.6500 3.8312 3.8312 4.0552 4.0552 4.3069 4.3069 4.4082 4.4082 4.5311 4.5311 4.6440 4.6440 5.0802 5.0802 5.1900 5.1900 5.3168 5.3168 5.4258 5.4258 5.5716 5.5716 5.6979 5.6979 5.8189 5.8189 6.0702 6.0702 6.2092 6.2092 6.4315 6.4315 7.0031 7.0031 7.9423 7.9423 8.1098 8.1098 8.2600 8.2600 9.0253 9.0253 9.1747 9.1747 9.2584 9.2584 9.4258 9.4258 9.5210 9.5210 k = 0.1731 0.0344 0.0606 ( 12696 PWs) bands (ev): -61.2205 -61.2205 -61.2147 -61.2147 -34.1277 -34.1277 -34.1039 -34.1039 -25.5627 -25.5627 -25.4448 -25.4448 -25.3777 -25.3777 -25.3637 -25.3637 -6.6134 -6.6134 -5.5031 -5.5031 -5.3539 -5.3539 -5.2740 -5.2740 -5.0351 -5.0351 -4.9490 -4.9490 -3.6382 -3.6382 -3.4701 -3.4701 -3.2841 -3.2841 -3.1190 -3.1190 1.1367 1.1367 1.2711 1.2711 1.9203 1.9203 2.3666 2.3666 2.4599 2.4599 2.6117 2.6117 2.6822 2.6822 2.9305 2.9305 3.3287 3.3287 3.6425 3.6425 3.8252 3.8252 4.0607 4.0607 4.3085 4.3085 4.4449 4.4449 4.5491 4.5491 4.6609 4.6609 5.0667 5.0667 5.1669 5.1669 5.2929 5.2929 5.4195 5.4195 5.5475 5.5475 5.7008 5.7008 5.8160 5.8160 6.0789 6.0789 6.2298 6.2298 6.4321 6.4321 6.9825 6.9825 7.9333 7.9333 8.1069 8.1069 8.2481 8.2481 9.0083 9.0083 9.1742 9.1742 9.2534 9.2534 9.4029 9.4029 9.5094 9.5094 k = 0.1923 0.0383 0.0673 ( 12712 PWs) bands (ev): -61.2204 -61.2204 -61.2148 -61.2148 -34.1273 -34.1273 -34.1044 -34.1044 -25.5603 -25.5603 -25.4464 -25.4464 -25.3782 -25.3782 -25.3642 -25.3642 -6.5929 -6.5929 -5.5072 -5.5072 -5.3591 -5.3591 -5.2888 -5.2888 -5.0455 -5.0455 -4.9471 -4.9471 -3.6374 -3.6374 -3.4714 -3.4714 -3.2858 -3.2858 -3.1219 -3.1219 1.1579 1.1579 1.3439 1.3439 1.8950 1.8950 2.3564 2.3564 2.4666 2.4666 2.6019 2.6019 2.6886 2.6886 2.9358 2.9358 3.3160 3.3160 3.6337 3.6337 3.8190 3.8190 4.0653 4.0653 4.2987 4.2987 4.4807 4.4807 4.5732 4.5732 4.6820 4.6820 5.0452 5.0452 5.1516 5.1516 5.2660 5.2660 5.4095 5.4095 5.5213 5.5213 5.7052 5.7052 5.8158 5.8158 6.0871 6.0871 6.2473 6.2473 6.4319 6.4319 6.9690 6.9690 7.9251 7.9251 8.1034 8.1034 8.2346 8.2346 8.9834 8.9834 9.1575 9.1575 9.2535 9.2535 9.3893 9.3893 9.4891 9.4891 k = 0.2115 0.0421 0.0740 ( 12704 PWs) bands (ev): -61.2203 -61.2203 -61.2149 -61.2149 -34.1268 -34.1268 -34.1048 -34.1048 -25.5576 -25.5576 -25.4482 -25.4482 -25.3786 -25.3786 -25.3648 -25.3648 -6.5704 -6.5704 -5.5134 -5.5134 -5.3644 -5.3644 -5.3051 -5.3051 -5.0542 -5.0542 -4.9455 -4.9455 -3.6363 -3.6363 -3.4728 -3.4728 -3.2875 -3.2875 -3.1249 -3.1249 1.1815 1.1815 1.4228 1.4228 1.8704 1.8704 2.3344 2.3344 2.4708 2.4708 2.6026 2.6026 2.6993 2.6993 2.9314 2.9314 3.3157 3.3157 3.6241 3.6241 3.8125 3.8125 4.0690 4.0690 4.2808 4.2808 4.5128 4.5128 4.6014 4.6014 4.7039 4.7039 5.0173 5.0173 5.1436 5.1436 5.2368 5.2368 5.3931 5.3931 5.4980 5.4980 5.7115 5.7115 5.8180 5.8180 6.0945 6.0945 6.2609 6.2609 6.4305 6.4305 6.9635 6.9635 7.9180 7.9180 8.0995 8.0995 8.2198 8.2198 8.9493 8.9493 9.1324 9.1324 9.2447 9.2447 9.3912 9.3912 9.4635 9.4635 k = 0.2308 0.0459 0.0808 ( 12704 PWs) bands (ev): -61.2202 -61.2202 -61.2151 -61.2151 -34.1263 -34.1263 -34.1054 -34.1054 -25.5547 -25.5547 -25.4502 -25.4502 -25.3790 -25.3790 -25.3654 -25.3654 -6.5458 -6.5458 -5.5227 -5.5227 -5.3697 -5.3697 -5.3222 -5.3222 -5.0610 -5.0610 -4.9445 -4.9445 -3.6349 -3.6349 -3.4742 -3.4742 -3.2893 -3.2893 -3.1279 -3.1279 1.2075 1.2075 1.5072 1.5072 1.8471 1.8471 2.3018 2.3018 2.4729 2.4729 2.6136 2.6136 2.7114 2.7114 2.9181 2.9181 3.3281 3.3281 3.6142 3.6142 3.8056 3.8056 4.0717 4.0717 4.2584 4.2584 4.5390 4.5390 4.6292 4.6292 4.7236 4.7236 4.9868 4.9868 5.1396 5.1396 5.2075 5.2075 5.3707 5.3707 5.4815 5.4815 5.7194 5.7194 5.8225 5.8225 6.1010 6.1010 6.2702 6.2702 6.4277 6.4277 6.9665 6.9665 7.9118 7.9118 8.0956 8.0956 8.2037 8.2037 8.9052 8.9052 9.1043 9.1043 9.2240 9.2240 9.3984 9.3984 9.4452 9.4452 k = 0.2500 0.0497 0.0875 ( 12703 PWs) bands (ev): -61.2200 -61.2200 -61.2152 -61.2152 -34.1257 -34.1257 -34.1059 -34.1059 -25.5516 -25.5516 -25.4524 -25.4524 -25.3794 -25.3794 -25.3661 -25.3661 -6.5194 -6.5194 -5.5360 -5.5360 -5.3751 -5.3751 -5.3388 -5.3388 -5.0658 -5.0658 -4.9441 -4.9441 -3.6333 -3.6333 -3.4757 -3.4757 -3.2911 -3.2911 -3.1310 -3.1310 1.2359 1.2359 1.5965 1.5965 1.8258 1.8258 2.2616 2.2616 2.4731 2.4731 2.6302 2.6302 2.7240 2.7240 2.9001 2.9001 3.3511 3.3511 3.6044 3.6044 3.7982 3.7982 4.0728 4.0728 4.2346 4.2346 4.5545 4.5545 4.6510 4.6510 4.7411 4.7411 4.9567 4.9567 5.1330 5.1330 5.1848 5.1848 5.3478 5.3478 5.4716 5.4716 5.7287 5.7287 5.8291 5.8291 6.1062 6.1062 6.2746 6.2746 6.4234 6.4234 6.9777 6.9777 7.9067 7.9067 8.0922 8.0922 8.1869 8.1869 8.8511 8.8511 9.0757 9.0757 9.1961 9.1961 9.3824 9.3824 9.4588 9.4588 k = 0.2692 0.0536 0.0942 ( 12702 PWs) bands (ev): -61.2199 -61.2199 -61.2153 -61.2153 -34.1251 -34.1251 -34.1066 -34.1066 -25.5483 -25.5483 -25.4549 -25.4549 -25.3797 -25.3797 -25.3668 -25.3668 -6.4910 -6.4910 -5.5541 -5.5541 -5.3806 -5.3806 -5.3535 -5.3535 -5.0687 -5.0687 -4.9442 -4.9442 -3.6315 -3.6315 -3.4772 -3.4772 -3.2930 -3.2930 -3.1341 -3.1341 1.2666 1.2666 1.6891 1.6891 1.8080 1.8080 2.2172 2.2172 2.4705 2.4705 2.6468 2.6468 2.7364 2.7364 2.8839 2.8839 3.3815 3.3815 3.5951 3.5951 3.7906 3.7906 4.0716 4.0716 4.2129 4.2129 4.5505 4.5505 4.6647 4.6647 4.7567 4.7567 4.9305 4.9305 5.1163 5.1163 5.1780 5.1780 5.3314 5.3314 5.4663 5.4663 5.7383 5.7383 5.8378 5.8378 6.1099 6.1099 6.2740 6.2740 6.4173 6.4173 6.9969 6.9969 7.9023 7.9023 8.0898 8.0898 8.1697 8.1697 8.7887 8.7887 9.0476 9.0476 9.1646 9.1646 9.3543 9.3543 9.4893 9.4893 k = 0.2885 0.0574 0.1010 ( 12698 PWs) bands (ev): -61.2197 -61.2197 -61.2155 -61.2155 -34.1244 -34.1244 -34.1072 -34.1072 -25.5449 -25.5449 -25.4576 -25.4576 -25.3799 -25.3799 -25.3675 -25.3675 -6.4609 -6.4609 -5.5775 -5.5775 -5.3860 -5.3860 -5.3654 -5.3654 -5.0700 -5.0700 -4.9451 -4.9451 -3.6294 -3.6294 -3.4787 -3.4787 -3.2948 -3.2948 -3.1371 -3.1371 1.2996 1.2996 1.7686 1.7686 1.8095 1.8095 2.1707 2.1707 2.4637 2.4637 2.6587 2.6587 2.7481 2.7481 2.8767 2.8767 3.4159 3.4159 3.5863 3.5863 3.7827 3.7827 4.0665 4.0665 4.1965 4.1965 4.5189 4.5189 4.6717 4.6717 4.7656 4.7656 4.9158 4.9158 5.0944 5.0944 5.1825 5.1825 5.3262 5.3262 5.4644 5.4644 5.7472 5.7472 5.8489 5.8489 6.1119 6.1119 6.2686 6.2686 6.4093 6.4093 7.0233 7.0233 7.8984 7.8984 8.0886 8.0886 8.1526 8.1526 8.7202 8.7202 9.0200 9.0200 9.1311 9.1311 9.3245 9.3245 9.5238 9.5238 k = 0.3077 0.0612 0.1077 ( 12698 PWs) bands (ev): -61.2196 -61.2196 -61.2157 -61.2157 -34.1237 -34.1237 -34.1079 -34.1079 -25.5412 -25.5412 -25.4605 -25.4605 -25.3799 -25.3799 -25.3683 -25.3683 -6.4290 -6.4290 -5.6061 -5.6061 -5.3913 -5.3913 -5.3745 -5.3745 -5.0699 -5.0699 -4.9466 -4.9466 -3.6271 -3.6271 -3.4802 -3.4802 -3.2965 -3.2965 -3.1401 -3.1401 1.3347 1.3347 1.7702 1.7702 1.8942 1.8942 2.1237 2.1237 2.4513 2.4513 2.6639 2.6639 2.7585 2.7585 2.8836 2.8836 3.4513 3.4513 3.5781 3.5781 3.7748 3.7748 4.0568 4.0568 4.1880 4.1880 4.4604 4.4604 4.6667 4.6667 4.7657 4.7657 4.9200 4.9200 5.0734 5.0734 5.1914 5.1914 5.3325 5.3325 5.4657 5.4657 5.7546 5.7546 5.8625 5.8625 6.1120 6.1120 6.2588 6.2588 6.3995 6.3995 7.0564 7.0564 7.8947 7.8947 8.0884 8.0884 8.1364 8.1364 8.6487 8.6487 8.9923 8.9923 9.0969 9.0969 9.2944 9.2944 9.5590 9.5590 k = 0.3269 0.0650 0.1144 ( 12693 PWs) bands (ev): -61.2194 -61.2194 -61.2158 -61.2158 -34.1230 -34.1230 -34.1086 -34.1086 -25.5374 -25.5374 -25.4637 -25.4637 -25.3799 -25.3799 -25.3690 -25.3690 -6.3954 -6.3954 -5.6393 -5.6393 -5.3961 -5.3961 -5.3812 -5.3812 -5.0684 -5.0684 -4.9489 -4.9489 -3.6247 -3.6247 -3.4815 -3.4815 -3.2983 -3.2983 -3.1430 -3.1430 1.3718 1.3718 1.7615 1.7615 1.9917 1.9917 2.0778 2.0778 2.4337 2.4337 2.6649 2.6649 2.7672 2.7672 2.9045 2.9045 3.4842 3.4842 3.5712 3.5712 3.7669 3.7669 4.0437 4.0437 4.1871 4.1871 4.3817 4.3817 4.6438 4.6438 4.7643 4.7643 4.9386 4.9386 5.0560 5.0560 5.2028 5.2028 5.3468 5.3468 5.4707 5.4707 5.7598 5.7598 5.8783 5.8783 6.1100 6.1100 6.2453 6.2453 6.3881 6.3881 7.0955 7.0955 7.8907 7.8907 8.0870 8.0870 8.1228 8.1228 8.5775 8.5775 8.9628 8.9628 9.0639 9.0639 9.2638 9.2638 9.5927 9.5927 k = 0.3462 0.0689 0.1211 ( 12690 PWs) bands (ev): -61.2192 -61.2192 -61.2160 -61.2160 -34.1223 -34.1223 -34.1093 -34.1093 -25.5335 -25.5335 -25.4670 -25.4670 -25.3798 -25.3798 -25.3698 -25.3698 -6.3602 -6.3602 -5.6762 -5.6762 -5.4001 -5.4001 -5.3863 -5.3863 -5.0659 -5.0659 -4.9518 -4.9518 -3.6222 -3.6222 -3.4828 -3.4828 -3.2999 -3.2999 -3.1458 -3.1458 1.4107 1.4107 1.7556 1.7556 2.0281 2.0281 2.0886 2.0886 2.4168 2.4168 2.6656 2.6656 2.7740 2.7740 2.9359 2.9359 3.5084 3.5084 3.5689 3.5689 3.7594 3.7594 4.0298 4.0298 4.1883 4.1883 4.2935 4.2935 4.6081 4.6081 4.7614 4.7614 4.9626 4.9626 5.0448 5.0448 5.2165 5.2165 5.3639 5.3639 5.4797 5.4797 5.7630 5.7630 5.8958 5.8958 6.1058 6.1058 6.2292 6.2292 6.3754 6.3754 7.1401 7.1401 7.8862 7.8862 8.0791 8.0791 8.1155 8.1155 8.5107 8.5107 8.9297 8.9297 9.0345 9.0345 9.2326 9.2326 9.6219 9.6219 k = 0.3654 0.0727 0.1279 ( 12689 PWs) bands (ev): -61.2190 -61.2190 -61.2162 -61.2162 -34.1215 -34.1215 -34.1100 -34.1100 -25.5295 -25.5295 -25.4706 -25.4706 -25.3796 -25.3796 -25.3706 -25.3706 -6.3236 -6.3236 -5.7158 -5.7158 -5.4033 -5.4033 -5.3902 -5.3902 -5.0625 -5.0625 -4.9552 -4.9552 -3.6197 -3.6197 -3.4840 -3.4840 -3.3014 -3.3014 -3.1484 -3.1484 1.4508 1.4508 1.7539 1.7539 1.9852 1.9852 2.1573 2.1573 2.4177 2.4177 2.6684 2.6684 2.7793 2.7793 2.9738 2.9738 3.5136 3.5136 3.5785 3.5785 3.7523 3.7523 4.0147 4.0147 4.1578 4.1578 4.2368 4.2368 4.5671 4.5671 4.7518 4.7518 4.9863 4.9863 5.0427 5.0427 5.2321 5.2321 5.3797 5.3797 5.4927 5.4927 5.7645 5.7645 5.9143 5.9143 6.0991 6.0991 6.2118 6.2118 6.3618 6.3618 7.1896 7.1896 7.8810 7.8810 8.0621 8.0621 8.1133 8.1133 8.4540 8.4540 8.8915 8.8915 9.0109 9.0109 9.2005 9.2005 9.6431 9.6431 k = 0.3846 0.0765 0.1346 ( 12688 PWs) bands (ev): -61.2188 -61.2188 -61.2164 -61.2164 -34.1207 -34.1207 -34.1108 -34.1108 -25.5254 -25.5254 -25.4743 -25.4743 -25.3793 -25.3793 -25.3714 -25.3714 -6.2855 -6.2855 -5.7575 -5.7575 -5.4058 -5.4058 -5.3934 -5.3934 -5.0585 -5.0585 -4.9591 -4.9591 -3.6173 -3.6173 -3.4851 -3.4851 -3.3028 -3.3028 -3.1507 -3.1507 1.4918 1.4918 1.7568 1.7568 1.9430 1.9430 2.1794 2.1794 2.4625 2.4625 2.6738 2.6738 2.7837 2.7837 3.0157 3.0157 3.5011 3.5011 3.5963 3.5963 3.7457 3.7457 3.9807 3.9807 4.0893 4.0893 4.2402 4.2402 4.5255 4.5255 4.7330 4.7330 5.0069 5.0069 5.0502 5.0502 5.2489 5.2489 5.3923 5.3923 5.5083 5.5083 5.7650 5.7650 5.9329 5.9329 6.0898 6.0898 6.1950 6.1950 6.3477 6.3477 7.2437 7.2437 7.8748 7.8748 8.0367 8.0367 8.1101 8.1101 8.4141 8.4141 8.8482 8.8482 8.9936 8.9936 9.1680 9.1680 9.6571 9.6572 k = 0.4038 0.0803 0.1413 ( 12693 PWs) bands (ev): -61.2186 -61.2186 -61.2166 -61.2166 -34.1199 -34.1199 -34.1116 -34.1116 -25.5212 -25.5212 -25.4781 -25.4781 -25.3790 -25.3790 -25.3722 -25.3722 -6.2463 -6.2463 -5.8006 -5.8006 -5.4076 -5.4076 -5.3960 -5.3960 -5.0541 -5.0541 -4.9634 -4.9634 -3.6151 -3.6151 -3.4860 -3.4860 -3.3040 -3.3040 -3.1528 -3.1528 1.5329 1.5329 1.7650 1.7650 1.9030 1.9030 2.1584 2.1584 2.5456 2.5456 2.6819 2.6819 2.7893 2.7893 3.0600 3.0600 3.4788 3.4788 3.6128 3.6128 3.7388 3.7388 3.8948 3.8948 4.0676 4.0676 4.2549 4.2549 4.4870 4.4870 4.7060 4.7060 5.0246 5.0246 5.0640 5.0640 5.2660 5.2660 5.4013 5.4013 5.5245 5.5245 5.7650 5.7650 5.9508 5.9508 6.0780 6.0780 6.1804 6.1804 6.3336 6.3336 7.3019 7.3019 7.8666 7.8666 8.0019 8.0019 8.1034 8.1034 8.3962 8.3962 8.8013 8.8013 8.9822 8.9822 9.1355 9.1355 9.6674 9.6674 k = 0.4231 0.0842 0.1481 ( 12694 PWs) bands (ev): -61.2185 -61.2185 -61.2168 -61.2168 -34.1191 -34.1191 -34.1124 -34.1124 -25.5169 -25.5169 -25.4821 -25.4821 -25.3785 -25.3785 -25.3730 -25.3730 -6.2060 -6.2060 -5.8444 -5.8444 -5.4090 -5.4090 -5.3980 -5.3980 -5.0495 -5.0495 -4.9677 -4.9677 -3.6131 -3.6131 -3.4867 -3.4867 -3.3051 -3.3051 -3.1545 -3.1545 1.5731 1.5731 1.7786 1.7786 1.8663 1.8663 2.1177 2.1177 2.6343 2.6343 2.6951 2.6951 2.8033 2.8033 3.1053 3.1053 3.4492 3.4492 3.6218 3.6218 3.7285 3.7285 3.7907 3.7907 4.0766 4.0766 4.2676 4.2676 4.4562 4.4562 4.6732 4.6732 5.0409 5.0409 5.0789 5.0789 5.2823 5.2823 5.4068 5.4068 5.5399 5.5399 5.7647 5.7647 5.9673 5.9673 6.0644 6.0644 6.1691 6.1691 6.3202 6.3202 7.3635 7.3635 7.8534 7.8534 7.9601 7.9601 8.0950 8.0950 8.3996 8.3996 8.7522 8.7522 8.9764 8.9764 9.1041 9.1041 9.6758 9.6758 k = 0.4423 0.0880 0.1548 ( 12695 PWs) bands (ev): -61.2183 -61.2183 -61.2170 -61.2170 -34.1183 -34.1183 -34.1132 -34.1132 -25.5126 -25.5126 -25.4862 -25.4862 -25.3780 -25.3780 -25.3738 -25.3738 -6.1650 -6.1650 -5.8884 -5.8884 -5.4100 -5.4100 -5.3996 -5.3996 -5.0451 -5.0451 -4.9719 -4.9719 -3.6115 -3.6115 -3.4874 -3.4874 -3.3059 -3.3059 -3.1559 -3.1559 1.6114 1.6114 1.7927 1.7927 1.8385 1.8385 2.0695 2.0695 2.6814 2.6814 2.7227 2.7227 2.8516 2.8516 3.1502 3.1502 3.4134 3.4134 3.5999 3.5999 3.6900 3.6900 3.7381 3.7381 4.0979 4.0979 4.2694 4.2694 4.4404 4.4404 4.6373 4.6373 5.0561 5.0561 5.0916 5.0916 5.2971 5.2971 5.4088 5.4088 5.5539 5.5539 5.7637 5.7637 5.9817 5.9817 6.0505 6.0505 6.1615 6.1615 6.3083 6.3083 7.4281 7.4281 7.8265 7.8265 7.9226 7.9226 8.0873 8.0873 8.4191 8.4191 8.7025 8.7025 8.9758 8.9758 9.0745 9.0745 9.6829 9.6829 k = 0.4615 0.0918 0.1615 ( 12701 PWs) bands (ev): -61.2181 -61.2181 -61.2172 -61.2172 -34.1175 -34.1175 -34.1140 -34.1140 -25.5083 -25.5083 -25.4904 -25.4904 -25.3774 -25.3774 -25.3746 -25.3746 -6.1241 -6.1241 -5.9316 -5.9316 -5.4106 -5.4106 -5.4006 -5.4006 -5.0414 -5.0414 -4.9754 -4.9754 -3.6103 -3.6103 -3.4878 -3.4878 -3.3065 -3.3065 -3.1570 -3.1570 1.6468 1.6468 1.7820 1.7820 1.8456 1.8456 2.0189 2.0189 2.6949 2.6949 2.7388 2.7388 2.9465 2.9465 3.1910 3.1910 3.3714 3.3714 3.5136 3.5136 3.6753 3.6753 3.7286 3.7286 4.1260 4.1260 4.2548 4.2548 4.4440 4.4440 4.6012 4.6012 5.0689 5.0689 5.1005 5.1005 5.3095 5.3095 5.4078 5.4078 5.5660 5.5660 5.7620 5.7620 5.9938 5.9938 6.0377 6.0377 6.1571 6.1571 6.2986 6.2986 7.4945 7.4945 7.7786 7.7786 7.9016 7.9016 8.0816 8.0816 8.4483 8.4483 8.6543 8.6543 8.9803 8.9803 9.0478 9.0478 9.6886 9.6886 k = 0.4808 0.0956 0.1683 ( 12709 PWs) bands (ev): -61.2179 -61.2179 -61.2174 -61.2174 -34.1168 -34.1168 -34.1148 -34.1148 -25.5042 -25.5042 -25.4944 -25.4944 -25.3768 -25.3768 -25.3753 -25.3753 -6.0858 -6.0858 -5.9714 -5.9714 -5.4110 -5.4110 -5.4013 -5.4013 -5.0388 -5.0388 -4.9779 -4.9779 -3.6095 -3.6095 -3.4881 -3.4881 -3.3069 -3.3069 -3.1576 -3.1576 1.6781 1.6781 1.7555 1.7555 1.8789 1.8789 1.9690 1.9690 2.7016 2.7016 2.7421 2.7421 3.0569 3.0569 3.2109 3.2109 3.3297 3.3297 3.4254 3.4254 3.6771 3.6771 3.7236 3.7236 4.1579 4.1579 4.2277 4.2277 4.4598 4.4598 4.5695 4.5695 5.0779 5.0779 5.1054 5.1054 5.3181 5.3181 5.4055 5.4055 5.5747 5.5747 5.7600 5.7600 6.0037 6.0037 6.0271 6.0271 6.1550 6.1550 6.2922 6.2922 7.5597 7.5597 7.7194 7.7194 7.8930 7.8930 8.0782 8.0782 8.4804 8.4804 8.6117 8.6117 8.9896 8.9896 9.0249 9.0249 9.6923 9.6923 k = 0.5000 0.0995 0.1750 ( 12708 PWs) bands (ev): -61.2178 -61.2178 -61.2175 -61.2175 -34.1163 -34.1163 -34.1153 -34.1153 -25.5015 -25.5015 -25.4971 -25.4971 -25.3764 -25.3764 -25.3758 -25.3758 -6.0644 -6.0644 -5.9933 -5.9933 -5.4112 -5.4112 -5.4015 -5.4015 -5.0379 -5.0379 -4.9787 -4.9787 -3.6093 -3.6093 -3.4881 -3.4881 -3.3070 -3.3070 -3.1578 -3.1578 1.6958 1.6958 1.7387 1.7387 1.9175 1.9175 1.9254 1.9254 2.7040 2.7040 2.7424 2.7424 3.1579 3.1579 3.1604 3.1604 3.3203 3.3203 3.3844 3.3844 3.6785 3.6785 3.7218 3.7218 4.1843 4.1843 4.2023 4.2023 4.4702 4.4702 4.5545 4.5545 5.0811 5.0811 5.1069 5.1069 5.3213 5.3213 5.4042 5.4042 5.5779 5.5779 5.7591 5.7591 6.0092 6.0092 6.0214 6.0214 6.1544 6.1544 6.2900 6.2900 7.6016 7.6016 7.6789 7.6789 7.8907 7.8907 8.0771 8.0771 8.4984 8.4984 8.5904 8.5904 8.9996 8.9996 9.0102 9.0102 9.6936 9.6936 k = 0.5000-0.3378-0.0445 ( 12692 PWs) bands (ev): -61.2178 -61.2178 -61.2174 -61.2174 -34.1163 -34.1163 -34.1153 -34.1153 -25.5014 -25.5014 -25.4971 -25.4971 -25.3764 -25.3764 -25.3758 -25.3758 -5.9494 -5.9494 -5.9261 -5.9261 -5.4717 -5.4717 -5.3703 -5.3703 -5.2068 -5.2068 -5.0910 -5.0910 -3.6206 -3.6206 -3.5459 -3.5459 -3.2616 -3.2616 -3.0243 -3.0243 1.8034 1.8034 1.8293 1.8293 2.0981 2.0981 2.2061 2.2061 2.4184 2.4184 2.7783 2.7783 3.0523 3.0523 3.1522 3.1522 3.2926 3.2926 3.4829 3.4829 3.7750 3.7750 3.7990 3.7990 3.9946 3.9946 4.0968 4.0968 4.5300 4.5300 4.5322 4.5322 4.9722 4.9722 5.1340 5.1340 5.2301 5.2301 5.3527 5.3527 5.4560 5.4560 5.5988 5.5988 5.9385 5.9385 5.9564 5.9564 6.1094 6.1094 6.1549 6.1549 7.6120 7.6120 7.7180 7.7180 7.8898 7.8898 8.0670 8.0670 8.5227 8.5227 8.6709 8.6709 9.2899 9.2899 9.3539 9.3539 9.5612 9.5613 k = 0.4828-0.3262-0.0430 ( 12690 PWs) bands (ev): -61.2179 -61.2179 -61.2174 -61.2174 -34.1167 -34.1167 -34.1148 -34.1148 -25.5038 -25.5038 -25.4948 -25.4948 -25.3767 -25.3767 -25.3754 -25.3754 -5.9825 -5.9825 -5.8929 -5.8929 -5.4716 -5.4716 -5.3700 -5.3700 -5.2066 -5.2066 -5.0906 -5.0906 -3.6211 -3.6211 -3.5459 -3.5459 -3.2609 -3.2609 -3.0246 -3.0246 1.8005 1.8005 1.8264 1.8264 2.0976 2.0976 2.2100 2.2100 2.4163 2.4163 2.7719 2.7719 3.0284 3.0284 3.1515 3.1515 3.3204 3.3204 3.4901 3.4901 3.7708 3.7708 3.8002 3.8002 3.9939 3.9939 4.1046 4.1046 4.5210 4.5210 4.5428 4.5428 4.9691 4.9691 5.1335 5.1335 5.2299 5.2299 5.3519 5.3519 5.4540 5.4540 5.5979 5.5979 5.9272 5.9272 5.9687 5.9687 6.0992 6.0992 6.1669 6.1669 7.6068 7.6068 7.7069 7.7069 7.9030 7.9030 8.0723 8.0723 8.5132 8.5132 8.6825 8.6825 9.2866 9.2866 9.3579 9.3579 9.5589 9.5589 k = 0.4655-0.3145-0.0415 ( 12685 PWs) bands (ev): -61.2180 -61.2180 -61.2172 -61.2172 -34.1174 -34.1174 -34.1141 -34.1141 -25.5074 -25.5074 -25.4912 -25.4912 -25.3773 -25.3773 -25.3747 -25.3747 -6.0248 -6.0248 -5.8507 -5.8507 -5.4713 -5.4713 -5.3693 -5.3693 -5.2057 -5.2057 -5.0892 -5.0892 -3.6228 -3.6228 -3.5458 -3.5458 -3.2588 -3.2588 -3.0255 -3.0255 1.7911 1.7911 1.8187 1.8187 2.0978 2.0978 2.2198 2.2198 2.4094 2.4094 2.7501 2.7501 2.9862 2.9862 3.1494 3.1494 3.3696 3.3696 3.5186 3.5186 3.7576 3.7576 3.8057 3.8057 3.9942 3.9942 4.1246 4.1246 4.5126 4.5126 4.5559 4.5559 4.9606 4.9606 5.1307 5.1307 5.2298 5.2298 5.3497 5.3497 5.4482 5.4482 5.5947 5.5947 5.9121 5.9121 5.9859 5.9859 6.0829 6.0829 6.1894 6.1894 7.5867 7.5867 7.6891 7.6891 7.9299 7.9299 8.0897 8.0897 8.4910 8.4910 8.7107 8.7107 9.2790 9.2790 9.3675 9.3675 9.5533 9.5533 k = 0.4483-0.3029-0.0399 ( 12688 PWs) bands (ev): -61.2182 -61.2182 -61.2170 -61.2170 -34.1181 -34.1181 -34.1134 -34.1134 -25.5113 -25.5113 -25.4875 -25.4875 -25.3778 -25.3778 -25.3741 -25.3741 -6.0672 -6.0672 -5.8084 -5.8084 -5.4706 -5.4706 -5.3681 -5.3681 -5.2044 -5.2044 -5.0869 -5.0869 -3.6254 -3.6254 -3.5457 -3.5457 -3.2554 -3.2554 -3.0271 -3.0271 1.7733 1.7733 1.8091 1.8091 2.1018 2.1018 2.2307 2.2307 2.3960 2.3960 2.7114 2.7114 2.9571 2.9571 3.1457 3.1457 3.4012 3.4012 3.5772 3.5772 3.7370 3.7370 3.8184 3.8184 3.9989 3.9989 4.1513 4.1513 4.5062 4.5062 4.5702 4.5702 4.9482 4.9482 5.1238 5.1238 5.2305 5.2305 5.3458 5.3458 5.4394 5.4394 5.5885 5.5885 5.8991 5.8991 5.9989 5.9989 6.0734 6.0734 6.2136 6.2136 7.5479 7.5479 7.6823 7.6823 7.9543 7.9543 8.1210 8.1210 8.4651 8.4651 8.7472 8.7472 9.2701 9.2701 9.3793 9.3793 9.5465 9.5465 k = 0.4310-0.2912-0.0384 ( 12682 PWs) bands (ev): -61.2184 -61.2184 -61.2169 -61.2169 -34.1188 -34.1188 -34.1127 -34.1127 -25.5151 -25.5151 -25.4838 -25.4838 -25.3783 -25.3783 -25.3734 -25.3734 -6.1092 -6.1092 -5.7668 -5.7668 -5.4696 -5.4696 -5.3665 -5.3665 -5.2024 -5.2024 -5.0838 -5.0838 -3.6289 -3.6289 -3.5455 -3.5455 -3.2508 -3.2508 -3.0294 -3.0294 1.7463 1.7463 1.8004 1.8004 2.1104 2.1104 2.2385 2.2385 2.3735 2.3735 2.6646 2.6646 2.9468 2.9468 3.1405 3.1405 3.4146 3.4146 3.6436 3.6436 3.7186 3.7186 3.8429 3.8429 4.0087 4.0087 4.1811 4.1811 4.5023 4.5023 4.5855 4.5855 4.9335 4.9335 5.1115 5.1115 5.2317 5.2317 5.3405 5.3405 5.4285 5.4285 5.5786 5.5786 5.8884 5.8884 6.0034 6.0034 6.0771 6.0771 6.2373 6.2373 7.4973 7.4973 7.6858 7.6858 7.9710 7.9710 8.1636 8.1636 8.4410 8.4410 8.7874 8.7874 9.2614 9.2614 9.3913 9.3913 9.5396 9.5396 k = 0.4138-0.2796-0.0368 ( 12675 PWs) bands (ev): -61.2185 -61.2185 -61.2167 -61.2167 -34.1195 -34.1195 -34.1120 -34.1120 -25.5189 -25.5189 -25.4802 -25.4802 -25.3787 -25.3787 -25.3726 -25.3726 -6.1506 -6.1506 -5.7262 -5.7262 -5.4680 -5.4680 -5.3644 -5.3644 -5.1998 -5.1998 -5.0799 -5.0799 -3.6331 -3.6331 -3.5451 -3.5451 -3.2453 -3.2453 -3.0324 -3.0324 1.7121 1.7121 1.7932 1.7932 2.1217 2.1217 2.2380 2.2380 2.3426 2.3426 2.6235 2.6235 2.9493 2.9493 3.1339 3.1339 3.4203 3.4203 3.6537 3.6537 3.7441 3.7441 3.8883 3.8883 4.0235 4.0235 4.2119 4.2119 4.5014 4.5014 4.6014 4.6014 4.9179 4.9179 5.0945 5.0945 5.2311 5.2311 5.3349 5.3349 5.4163 5.4163 5.5654 5.5654 5.8794 5.8794 6.0029 6.0029 6.0916 6.0916 6.2598 6.2598 7.4419 7.4419 7.6950 7.6950 7.9819 7.9819 8.2102 8.2102 8.4233 8.4233 8.8293 8.8293 9.2535 9.2535 9.4023 9.4023 9.5333 9.5333 k = 0.3966-0.2679-0.0353 ( 12680 PWs) bands (ev): -61.2187 -61.2187 -61.2165 -61.2165 -34.1202 -34.1202 -34.1113 -34.1113 -25.5228 -25.5228 -25.4766 -25.4766 -25.3791 -25.3791 -25.3719 -25.3719 -6.1911 -6.1911 -5.6874 -5.6874 -5.4656 -5.4656 -5.3619 -5.3619 -5.1965 -5.1965 -5.0752 -5.0752 -3.6378 -3.6378 -3.5447 -3.5447 -3.2388 -3.2388 -3.0361 -3.0361 1.6730 1.6730 1.7877 1.7877 2.1287 2.1287 2.2219 2.2219 2.3154 2.3154 2.5950 2.5950 2.9585 2.9585 3.1265 3.1265 3.4230 3.4230 3.6246 3.6246 3.7860 3.7860 3.9548 3.9548 4.0454 4.0454 4.2427 4.2427 4.5043 4.5043 4.6167 4.6167 4.9031 4.9031 5.0737 5.0737 5.2265 5.2265 5.3294 5.3294 5.4037 5.4037 5.5500 5.5500 5.8713 5.8713 6.0040 6.0040 6.1109 6.1109 6.2806 6.2806 7.3851 7.3851 7.7078 7.7078 7.9896 7.9896 8.2500 8.2500 8.4198 8.4198 8.8716 8.8716 9.2464 9.2464 9.4118 9.4118 9.5278 9.5278 k = 0.3793-0.2563-0.0338 ( 12679 PWs) bands (ev): -61.2189 -61.2189 -61.2163 -61.2163 -34.1209 -34.1209 -34.1106 -34.1106 -25.5265 -25.5265 -25.4732 -25.4732 -25.3794 -25.3794 -25.3712 -25.3712 -6.2307 -6.2307 -5.6508 -5.6508 -5.4620 -5.4620 -5.3589 -5.3589 -5.1925 -5.1925 -5.0700 -5.0700 -3.6427 -3.6427 -3.5441 -3.5441 -3.2317 -3.2317 -3.0406 -3.0406 1.6310 1.6310 1.7838 1.7838 2.1085 2.1085 2.2037 2.2037 2.3051 2.3051 2.5781 2.5781 2.9699 2.9699 3.1192 3.1192 3.4241 3.4241 3.5908 3.5908 3.8192 3.8192 4.0128 4.0128 4.0895 4.0895 4.2739 4.2739 4.5117 4.5117 4.6301 4.6301 4.8906 4.8906 5.0502 5.0502 5.2172 5.2172 5.3229 5.3229 5.3932 5.3932 5.5341 5.5341 5.8638 5.8638 6.0092 6.0092 6.1315 6.1315 6.2994 6.2994 7.3284 7.3284 7.7230 7.7230 7.9960 7.9960 8.2707 8.2707 8.4403 8.4403 8.9136 8.9136 9.2399 9.2399 9.4192 9.4192 9.5231 9.5231 k = 0.3621-0.2446-0.0322 ( 12676 PWs) bands (ev): -61.2190 -61.2190 -61.2162 -61.2162 -34.1216 -34.1216 -34.1099 -34.1099 -25.5302 -25.5302 -25.4699 -25.4699 -25.3796 -25.3796 -25.3705 -25.3705 -6.2693 -6.2693 -5.6174 -5.6174 -5.4566 -5.4566 -5.3554 -5.3554 -5.1877 -5.1877 -5.0641 -5.0641 -3.6476 -3.6476 -3.5433 -3.5433 -3.2242 -3.2242 -3.0459 -3.0459 1.5875 1.5875 1.7815 1.7815 2.0482 2.0482 2.2063 2.2063 2.3075 2.3075 2.5686 2.5686 2.9794 2.9794 3.1140 3.1140 3.4240 3.4240 3.5579 3.5579 3.8483 3.8483 4.0409 4.0409 4.1608 4.1608 4.3081 4.3081 4.5242 4.5242 4.6398 4.6398 4.8823 4.8823 5.0247 5.0247 5.2047 5.2047 5.3127 5.3127 5.3872 5.3872 5.5191 5.5191 5.8571 5.8571 6.0184 6.0184 6.1521 6.1521 6.3160 6.3160 7.2730 7.2730 7.7398 7.7398 8.0021 8.0021 8.2721 8.2721 8.4837 8.4837 8.9545 8.9545 9.2339 9.2339 9.4239 9.4239 9.5192 9.5192 k = 0.3448-0.2330-0.0307 ( 12674 PWs) bands (ev): -61.2192 -61.2192 -61.2160 -61.2160 -34.1223 -34.1223 -34.1092 -34.1092 -25.5338 -25.5338 -25.4668 -25.4668 -25.3798 -25.3798 -25.3697 -25.3697 -6.3067 -6.3067 -5.5883 -5.5883 -5.4488 -5.4488 -5.3513 -5.3513 -5.1819 -5.1819 -5.0578 -5.0578 -3.6524 -3.6524 -3.5423 -3.5423 -3.2162 -3.2162 -3.0520 -3.0520 1.5435 1.5435 1.7802 1.7802 1.9716 1.9716 2.2143 2.2143 2.3191 2.3191 2.5630 2.5630 2.9831 2.9831 3.1124 3.1124 3.4220 3.4220 3.5294 3.5294 3.8759 3.8759 4.0569 4.0569 4.2269 4.2269 4.3509 4.3509 4.5419 4.5419 4.6446 4.6446 4.8788 4.8788 4.9991 4.9991 5.1911 5.1911 5.2987 5.2987 5.3860 5.3860 5.5068 5.5068 5.8513 5.8513 6.0305 6.0305 6.1721 6.1721 6.3303 6.3303 7.2196 7.2196 7.7574 7.7574 8.0088 8.0088 8.2643 8.2643 8.5389 8.5389 8.9937 8.9937 9.2285 9.2285 9.4254 9.4254 9.5157 9.5157 k = 0.3276-0.2213-0.0292 ( 12677 PWs) bands (ev): -61.2194 -61.2194 -61.2158 -61.2158 -34.1230 -34.1230 -34.1085 -34.1085 -25.5373 -25.5373 -25.4638 -25.4638 -25.3799 -25.3799 -25.3690 -25.3690 -6.3429 -6.3429 -5.5644 -5.5644 -5.4380 -5.4380 -5.3465 -5.3465 -5.1752 -5.1752 -5.0511 -5.0511 -3.6568 -3.6568 -3.5411 -3.5411 -3.2082 -3.2082 -3.0589 -3.0589 1.4997 1.4997 1.7774 1.7774 1.8938 1.8938 2.2192 2.2192 2.3388 2.3388 2.5595 2.5595 2.9791 2.9791 3.1145 3.1145 3.4170 3.4170 3.5084 3.5084 3.9019 3.9019 4.0687 4.0687 4.2716 4.2716 4.4038 4.4038 4.5635 4.5635 4.6465 4.6465 4.8770 4.8770 4.9776 4.9776 5.1787 5.1787 5.2839 5.2839 5.3878 5.3878 5.4982 5.4982 5.8466 5.8466 6.0442 6.0442 6.1910 6.1910 6.3419 6.3419 7.1688 7.1688 7.7755 7.7755 8.0164 8.0164 8.2541 8.2541 8.5979 8.5979 9.0302 9.0302 9.2239 9.2239 9.4237 9.4237 9.5126 9.5126 k = 0.3103-0.2097-0.0276 ( 12683 PWs) bands (ev): -61.2195 -61.2195 -61.2157 -61.2157 -34.1236 -34.1236 -34.1079 -34.1079 -25.5407 -25.5407 -25.4610 -25.4610 -25.3799 -25.3799 -25.3683 -25.3683 -6.3777 -6.3777 -5.5464 -5.5464 -5.4243 -5.4243 -5.3407 -5.3407 -5.1673 -5.1673 -5.0442 -5.0442 -3.6607 -3.6607 -3.5396 -3.5396 -3.2001 -3.2001 -3.0667 -3.0667 1.4567 1.4567 1.7583 1.7583 1.8338 1.8338 2.2207 2.2207 2.3645 2.3645 2.5570 2.5570 2.9681 2.9681 3.1174 3.1174 3.4087 3.4087 3.4978 3.4978 3.9255 3.9255 4.0780 4.0780 4.2995 4.2995 4.4535 4.4535 4.5848 4.5848 4.6524 4.6524 4.8684 4.8684 4.9692 4.9692 5.1697 5.1697 5.2719 5.2719 5.3907 5.3907 5.4942 5.4942 5.8429 5.8429 6.0585 6.0585 6.2088 6.2088 6.3508 6.3508 7.1215 7.1215 7.7935 7.7935 8.0252 8.0252 8.2443 8.2443 8.6571 8.6571 9.0629 9.0629 9.2205 9.2205 9.4201 9.4201 9.5103 9.5103 k = 0.2931-0.1980-0.0261 ( 12688 PWs) bands (ev): -61.2197 -61.2197 -61.2155 -61.2155 -34.1242 -34.1242 -34.1073 -34.1073 -25.5440 -25.5440 -25.4583 -25.4583 -25.3798 -25.3798 -25.3677 -25.3677 -6.4110 -6.4110 -5.5336 -5.5336 -5.4091 -5.4091 -5.3334 -5.3334 -5.1581 -5.1581 -5.0371 -5.0371 -3.6639 -3.6639 -3.5378 -3.5378 -3.1921 -3.1921 -3.0753 -3.0753 1.4150 1.4150 1.6981 1.6981 1.8185 1.8185 2.2200 2.2200 2.3934 2.3934 2.5553 2.5553 2.9520 2.9520 3.1171 3.1171 3.3994 3.3994 3.4972 3.4972 3.9453 3.9453 4.0855 4.0855 4.3185 4.3185 4.4842 4.4842 4.6015 4.6015 4.6690 4.6690 4.8500 4.8500 4.9772 4.9772 5.1670 5.1670 5.2652 5.2652 5.3944 5.3944 5.4948 5.4948 5.8400 5.8400 6.0724 6.0724 6.2254 6.2254 6.3568 6.3568 7.0782 7.0782 7.8110 7.8110 8.0353 8.0353 8.2360 8.2360 8.7146 8.7146 9.0900 9.0900 9.2190 9.2190 9.4167 9.4167 9.5089 9.5089 k = 0.2759-0.1864-0.0246 ( 12696 PWs) bands (ev): -61.2198 -61.2198 -61.2154 -61.2154 -34.1248 -34.1248 -34.1068 -34.1068 -25.5472 -25.5472 -25.4558 -25.4558 -25.3797 -25.3797 -25.3670 -25.3670 -6.4429 -6.4429 -5.5247 -5.5247 -5.3942 -5.3942 -5.3245 -5.3245 -5.1474 -5.1474 -5.0299 -5.0299 -3.6663 -3.6663 -3.5358 -3.5358 -3.1843 -3.1843 -3.0847 -3.0847 1.3748 1.3748 1.6228 1.6228 1.8229 1.8229 2.2187 2.2187 2.4230 2.4230 2.5549 2.5549 2.9327 2.9327 3.1106 3.1106 3.3927 3.3927 3.5041 3.5041 3.9602 3.9602 4.0916 4.0916 4.3319 4.3319 4.4921 4.4921 4.6173 4.6173 4.6862 4.6862 4.8317 4.8317 4.9943 4.9943 5.1736 5.1736 5.2645 5.2645 5.4005 5.4005 5.4997 5.4997 5.8376 5.8376 6.0851 6.0851 6.2406 6.2406 6.3601 6.3601 7.0400 7.0400 7.8277 7.8277 8.0463 8.0463 8.2297 8.2297 8.7689 8.7689 9.1089 9.1089 9.2205 9.2205 9.4160 9.4160 9.5078 9.5078 k = 0.2586-0.1747-0.0230 ( 12700 PWs) bands (ev): -61.2200 -61.2200 -61.2153 -61.2153 -34.1254 -34.1254 -34.1062 -34.1062 -25.5502 -25.5502 -25.4535 -25.4535 -25.3795 -25.3795 -25.3664 -25.3664 -6.4731 -6.4731 -5.5186 -5.5186 -5.3813 -5.3813 -5.3137 -5.3137 -5.1353 -5.1353 -5.0228 -5.0228 -3.6679 -3.6679 -3.5334 -3.5334 -3.1770 -3.1770 -3.0948 -3.0948 1.3365 1.3365 1.5470 1.5470 1.8330 1.8330 2.2176 2.2176 2.4506 2.4506 2.5571 2.5571 2.9116 2.9116 3.0970 3.0970 3.3905 3.3905 3.5167 3.5167 3.9693 3.9693 4.0963 4.0963 4.3397 4.3397 4.4863 4.4863 4.6285 4.6285 4.6918 4.6918 4.8245 4.8245 5.0148 5.0148 5.1898 5.1898 5.2694 5.2694 5.4114 5.4114 5.5080 5.5080 5.8358 5.8358 6.0958 6.0958 6.2539 6.2539 6.3611 6.3611 7.0078 7.0078 7.8435 7.8435 8.0579 8.0579 8.2260 8.2260 8.8193 8.8193 9.1175 9.1175 9.2263 9.2263 9.4203 9.4203 9.5065 9.5065 k = 0.2414-0.1631-0.0215 ( 12704 PWs) bands (ev): -61.2201 -61.2201 -61.2151 -61.2151 -34.1259 -34.1259 -34.1057 -34.1057 -25.5531 -25.5531 -25.4514 -25.4514 -25.3792 -25.3792 -25.3658 -25.3658 -6.5017 -6.5017 -5.5142 -5.5142 -5.3710 -5.3710 -5.3017 -5.3017 -5.1216 -5.1216 -5.0158 -5.0158 -3.6687 -3.6687 -3.5306 -3.5306 -3.1703 -3.1703 -3.1053 -3.1053 1.3002 1.3002 1.4737 1.4737 1.8463 1.8463 2.2173 2.2173 2.4725 2.4725 2.5645 2.5645 2.8896 2.8896 3.0774 3.0774 3.3923 3.3923 3.5335 3.5335 3.9726 3.9726 4.0990 4.0990 4.3408 4.3408 4.4774 4.4774 4.6234 4.6234 4.6911 4.6911 4.8300 4.8300 5.0378 5.0378 5.2110 5.2110 5.2788 5.2788 5.4294 5.4294 5.5194 5.5194 5.8345 5.8345 6.1041 6.1041 6.2640 6.2640 6.3609 6.3609 6.9826 6.9826 7.8583 7.8583 8.0694 8.0694 8.2249 8.2249 8.8651 8.8651 9.1159 9.1159 9.2356 9.2356 9.4298 9.4298 9.5049 9.5049 k = 0.2241-0.1514-0.0200 ( 12698 PWs) bands (ev): -61.2202 -61.2202 -61.2150 -61.2150 -34.1265 -34.1265 -34.1052 -34.1052 -25.5558 -25.5558 -25.4495 -25.4495 -25.3789 -25.3789 -25.3652 -25.3652 -6.5286 -6.5286 -5.5109 -5.5109 -5.3629 -5.3629 -5.2895 -5.2895 -5.1065 -5.1065 -5.0090 -5.0090 -3.6685 -3.6685 -3.5275 -3.5275 -3.1649 -3.1649 -3.1157 -3.1157 1.2661 1.2661 1.4039 1.4039 1.8619 1.8619 2.2181 2.2181 2.4855 2.4855 2.5793 2.5793 2.8677 2.8677 3.0534 3.0534 3.3973 3.3973 3.5532 3.5532 3.9704 3.9704 4.0992 4.0992 4.3343 4.3343 4.4700 4.4700 4.6030 4.6030 4.6879 4.6879 4.8460 4.8460 5.0633 5.0633 5.2312 5.2312 5.2916 5.2916 5.4552 5.4552 5.5337 5.5337 5.8337 5.8337 6.1096 6.1096 6.2690 6.2690 6.3612 6.3612 6.9655 6.9655 7.8721 7.8721 8.0801 8.0801 8.2266 8.2266 8.9059 8.9059 9.1073 9.1073 9.2467 9.2467 9.4419 9.4419 9.5045 9.5045 k = 0.2069-0.1398-0.0184 ( 12693 PWs) bands (ev): -61.2203 -61.2203 -61.2149 -61.2149 -34.1269 -34.1269 -34.1047 -34.1047 -25.5583 -25.5583 -25.4477 -25.4477 -25.3785 -25.3785 -25.3646 -25.3646 -6.5537 -6.5537 -5.5083 -5.5083 -5.3565 -5.3565 -5.2780 -5.2780 -5.0904 -5.0904 -5.0025 -5.0025 -3.6676 -3.6676 -3.5238 -3.5238 -3.1620 -3.1620 -3.1247 -3.1247 1.2342 1.2342 1.3383 1.3383 1.8793 1.8793 2.2203 2.2203 2.4903 2.4903 2.5998 2.5998 2.8471 2.8471 3.0267 3.0267 3.4045 3.4045 3.5745 3.5745 3.9633 3.9633 4.0963 4.0963 4.3214 4.3214 4.4624 4.4624 4.5797 4.5797 4.6785 4.6785 4.8706 4.8706 5.0901 5.0901 5.2475 5.2475 5.3068 5.3068 5.4855 5.4855 5.5515 5.5515 5.8336 5.8336 6.1121 6.1121 6.2666 6.2666 6.3640 6.3640 6.9572 6.9572 7.8851 7.8851 8.0895 8.0895 8.2312 8.2312 8.9414 8.9414 9.0955 9.0955 9.2581 9.2581 9.4510 9.4510 9.5090 9.5090 k = 0.1897-0.1281-0.0169 ( 12695 PWs) bands (ev): -61.2204 -61.2204 -61.2148 -61.2148 -34.1274 -34.1274 -34.1043 -34.1043 -25.5607 -25.5607 -25.4462 -25.4462 -25.3781 -25.3781 -25.3641 -25.3641 -6.5769 -6.5769 -5.5063 -5.5063 -5.3511 -5.3511 -5.2677 -5.2677 -5.0737 -5.0737 -4.9963 -4.9963 -3.6659 -3.6659 -3.5198 -3.5198 -3.1641 -3.1641 -3.1296 -3.1296 1.2047 1.2047 1.2770 1.2770 1.8982 1.8982 2.2240 2.2240 2.4899 2.4899 2.6215 2.6215 2.8291 2.8291 2.9986 2.9986 3.4134 3.4134 3.5963 3.5963 3.9523 3.9523 4.0901 4.0901 4.3046 4.3046 4.4495 4.4495 4.5622 4.5622 4.6645 4.6645 4.9011 4.9011 5.1169 5.1169 5.2607 5.2607 5.3236 5.3236 5.5150 5.5150 5.5736 5.5736 5.8342 5.8342 6.1117 6.1117 6.2562 6.2562 6.3697 6.3697 6.9583 6.9583 7.8975 7.8975 8.0970 8.0970 8.2382 8.2382 8.9707 8.9707 9.0839 9.0839 9.2689 9.2689 9.4539 9.4539 9.5201 9.5201 k = 0.1724-0.1165-0.0154 ( 12691 PWs) bands (ev): -61.2205 -61.2205 -61.2147 -61.2147 -34.1278 -34.1278 -34.1038 -34.1038 -25.5628 -25.5628 -25.4448 -25.4448 -25.3776 -25.3776 -25.3637 -25.3637 -6.5983 -6.5983 -5.5046 -5.5046 -5.3465 -5.3465 -5.2588 -5.2588 -5.0569 -5.0569 -4.9905 -4.9905 -3.6635 -3.6635 -3.5152 -3.5152 -3.1723 -3.1723 -3.1296 -3.1296 1.1777 1.1777 1.2205 1.2205 1.9182 1.9182 2.2292 2.2292 2.4867 2.4867 2.6398 2.6398 2.8158 2.8158 2.9703 2.9703 3.4237 3.4237 3.6172 3.6172 3.9387 3.9387 4.0812 4.0812 4.2860 4.2860 4.4293 4.4293 4.5517 4.5517 4.6505 4.6505 4.9345 4.9345 5.1424 5.1424 5.2728 5.2728 5.3412 5.3412 5.5395 5.5395 5.5995 5.5995 5.8359 5.8359 6.1085 6.1085 6.2393 6.2393 6.3772 6.3772 6.9683 6.9683 7.9095 7.9095 8.1027 8.1027 8.2470 8.2470 8.9918 8.9918 9.0768 9.0768 9.2787 9.2787 9.4530 9.4530 9.5340 9.5340 k = 0.1552-0.1048-0.0138 ( 12690 PWs) bands (ev): -61.2206 -61.2206 -61.2146 -61.2146 -34.1281 -34.1281 -34.1035 -34.1035 -25.5648 -25.5648 -25.4436 -25.4436 -25.3771 -25.3771 -25.3632 -25.3632 -6.6178 -6.6178 -5.5032 -5.5032 -5.3425 -5.3425 -5.2512 -5.2512 -5.0404 -5.0404 -4.9852 -4.9852 -3.6607 -3.6607 -3.5101 -3.5101 -3.1840 -3.1840 -3.1267 -3.1267 1.1528 1.1528 1.1692 1.1692 1.9389 1.9389 2.2360 2.2360 2.4818 2.4818 2.6511 2.6511 2.8094 2.8094 2.9425 2.9425 3.4354 3.4354 3.6359 3.6359 3.9238 3.9238 4.0702 4.0702 4.2661 4.2661 4.4050 4.4050 4.5436 4.5436 4.6409 4.6409 4.9680 4.9680 5.1661 5.1661 5.2857 5.2857 5.3592 5.3592 5.5591 5.5591 5.6258 5.6258 5.8387 5.8387 6.1028 6.1028 6.2177 6.2177 6.3849 6.3849 6.9863 6.9863 7.9213 7.9213 8.1067 8.1067 8.2567 8.2567 9.0022 9.0022 9.0778 9.0778 9.2873 9.2873 9.4519 9.4519 9.5469 9.5469 k = 0.1379-0.0932-0.0123 ( 12688 PWs) bands (ev): -61.2207 -61.2207 -61.2145 -61.2145 -34.1285 -34.1285 -34.1031 -34.1031 -25.5666 -25.5666 -25.4425 -25.4425 -25.3767 -25.3767 -25.3628 -25.3628 -6.6354 -6.6354 -5.5020 -5.5020 -5.3389 -5.3389 -5.2448 -5.2448 -5.0247 -5.0247 -4.9803 -4.9803 -3.6575 -3.6575 -3.5044 -3.5044 -3.1973 -3.1973 -3.1229 -3.1229 1.1211 1.1211 1.1323 1.1323 1.9599 1.9599 2.2441 2.2441 2.4758 2.4758 2.6537 2.6537 2.8109 2.8109 2.9162 2.9162 3.4484 3.4484 3.6508 3.6508 3.9094 3.9094 4.0581 4.0581 4.2449 4.2449 4.3803 4.3803 4.5335 4.5335 4.6380 4.6380 4.9995 4.9995 5.1882 5.1882 5.3004 5.3004 5.3772 5.3772 5.5750 5.5750 5.6490 5.6490 5.8427 5.8427 6.0950 6.0950 6.1932 6.1932 6.3923 6.3923 7.0106 7.0106 7.9333 7.9333 8.1092 8.1092 8.2665 8.2665 9.0038 9.0038 9.0859 9.0859 9.2949 9.2949 9.4526 9.4526 9.5571 9.5571 k = 0.1207-0.0815-0.0107 ( 12688 PWs) bands (ev): -61.2208 -61.2208 -61.2144 -61.2144 -34.1288 -34.1288 -34.1028 -34.1028 -25.5683 -25.5683 -25.4416 -25.4416 -25.3762 -25.3762 -25.3625 -25.3625 -6.6509 -6.6509 -5.5009 -5.5009 -5.3357 -5.3357 -5.2395 -5.2395 -5.0103 -5.0103 -4.9759 -4.9759 -3.6542 -3.6542 -3.4984 -3.4984 -3.2111 -3.2111 -3.1191 -3.1191 1.0803 1.0803 1.1124 1.1124 1.9806 1.9806 2.2535 2.2535 2.4690 2.4690 2.6489 2.6489 2.8177 2.8177 2.8926 2.8926 3.4626 3.4626 3.6607 3.6607 3.8973 3.8973 4.0459 4.0459 4.2225 4.2225 4.3576 4.3576 4.5213 4.5213 4.6406 4.6406 5.0270 5.0270 5.2097 5.2097 5.3167 5.3167 5.3950 5.3950 5.5878 5.5878 5.6676 5.6676 5.8478 5.8478 6.0853 6.0853 6.1673 6.1673 6.3989 6.3989 7.0390 7.0390 7.9455 7.9455 8.1106 8.1106 8.2754 8.2754 9.0022 9.0022 9.0954 9.0954 9.3022 9.3022 9.4557 9.4557 9.5645 9.5645 k = 0.1034-0.0699-0.0092 ( 12698 PWs) bands (ev): -61.2209 -61.2209 -61.2144 -61.2144 -34.1290 -34.1290 -34.1026 -34.1026 -25.5697 -25.5697 -25.4409 -25.4409 -25.3758 -25.3758 -25.3622 -25.3622 -6.6644 -6.6644 -5.5001 -5.5001 -5.3330 -5.3330 -5.2352 -5.2352 -4.9975 -4.9975 -4.9718 -4.9718 -3.6509 -3.6509 -3.4920 -3.4920 -3.2249 -3.2249 -3.1155 -3.1155 1.0443 1.0443 1.0955 1.0955 2.0006 2.0006 2.2639 2.2639 2.4614 2.4614 2.6397 2.6397 2.8240 2.8240 2.8750 2.8750 3.4778 3.4778 3.6645 3.6645 3.8886 3.8886 4.0351 4.0351 4.1989 4.1989 4.3379 4.3379 4.5088 4.5088 4.6463 4.6463 5.0492 5.0492 5.2317 5.2317 5.3339 5.3339 5.4122 5.4122 5.5978 5.5978 5.6809 5.6809 5.8537 5.8537 6.0742 6.0742 6.1414 6.1414 6.4048 6.4048 7.0691 7.0691 7.9579 7.9579 8.1109 8.1109 8.2831 8.2831 9.0014 9.0014 9.1023 9.1023 9.3097 9.3097 9.4611 9.4611 9.5693 9.5693 k = 0.0862-0.0582-0.0077 ( 12694 PWs) bands (ev): -61.2209 -61.2209 -61.2143 -61.2143 -34.1293 -34.1293 -34.1024 -34.1024 -25.5708 -25.5708 -25.4402 -25.4402 -25.3755 -25.3755 -25.3619 -25.3619 -6.6759 -6.6759 -5.4994 -5.4994 -5.3306 -5.3306 -5.2317 -5.2317 -4.9866 -4.9866 -4.9680 -4.9680 -3.6478 -3.6478 -3.4854 -3.4854 -3.2380 -3.2380 -3.1123 -3.1123 1.0136 1.0136 1.0812 1.0812 2.0192 2.0192 2.2750 2.2750 2.4532 2.4532 2.6291 2.6291 2.8209 2.8209 2.8700 2.8700 3.4939 3.4939 3.6622 3.6622 3.8834 3.8834 4.0272 4.0272 4.1747 4.1747 4.3212 4.3212 4.4973 4.4973 4.6530 4.6530 5.0657 5.0657 5.2542 5.2542 5.3511 5.3511 5.4288 5.4288 5.6054 5.6054 5.6888 5.6888 5.8601 5.8601 6.0625 6.0625 6.1170 6.1170 6.4100 6.4100 7.0985 7.0985 7.9704 7.9704 8.1105 8.1105 8.2892 8.2892 9.0028 9.0028 9.1051 9.1051 9.3180 9.3180 9.4683 9.4683 9.5716 9.5716 k = 0.0690-0.0466-0.0061 ( 12685 PWs) bands (ev): -61.2210 -61.2210 -61.2143 -61.2143 -34.1294 -34.1294 -34.1022 -34.1022 -25.5718 -25.5718 -25.4397 -25.4397 -25.3751 -25.3751 -25.3616 -25.3616 -6.6854 -6.6854 -5.4988 -5.4988 -5.3286 -5.3286 -5.2289 -5.2289 -4.9782 -4.9782 -4.9642 -4.9642 -3.6450 -3.6450 -3.4790 -3.4790 -3.2501 -3.2501 -3.1097 -3.1097 0.9884 0.9884 1.0695 1.0695 2.0357 2.0357 2.2864 2.2864 2.4444 2.4444 2.6190 2.6190 2.8090 2.8090 2.8757 2.8757 3.5105 3.5105 3.6548 3.6548 3.8804 3.8804 4.0236 4.0236 4.1505 4.1505 4.3075 4.3075 4.4878 4.4878 4.6595 4.6595 5.0771 5.0771 5.2761 5.2761 5.3673 5.3673 5.4441 5.4441 5.6114 5.6114 5.6913 5.6913 5.8667 5.8667 6.0512 6.0512 6.0949 6.0949 6.4145 6.4145 7.1253 7.1253 7.9827 7.9827 8.1093 8.1093 8.2937 8.2937 9.0068 9.0068 9.1036 9.1036 9.3267 9.3267 9.4766 9.4766 9.5718 9.5718 k = 0.0517-0.0349-0.0046 ( 12680 PWs) bands (ev): -61.2210 -61.2210 -61.2142 -61.2142 -34.1296 -34.1296 -34.1020 -34.1020 -25.5726 -25.5726 -25.4394 -25.4394 -25.3748 -25.3748 -25.3615 -25.3615 -6.6927 -6.6927 -5.4983 -5.4983 -5.3270 -5.3270 -5.2269 -5.2269 -4.9724 -4.9724 -4.9603 -4.9603 -3.6428 -3.6428 -3.4731 -3.4731 -3.2605 -3.2605 -3.1075 -3.1075 0.9687 0.9687 1.0605 1.0605 2.0495 2.0495 2.2973 2.2973 2.4356 2.4356 2.6104 2.6104 2.7960 2.7960 2.8838 2.8838 3.5271 3.5271 3.6440 3.6440 3.8782 3.8782 4.0254 4.0254 4.1270 4.1270 4.2968 4.2968 4.4804 4.4804 4.6652 4.6652 5.0845 5.0845 5.2955 5.2955 5.3819 5.3819 5.4574 5.4574 5.6175 5.6175 5.6884 5.6884 5.8729 5.8729 6.0418 6.0418 6.0757 6.0757 6.4182 6.4182 7.1477 7.1477 7.9939 7.9939 8.1076 8.1076 8.2967 8.2967 9.0129 9.0129 9.0988 9.0988 9.3351 9.3351 9.4851 9.4851 9.5704 9.5704 k = 0.0345-0.0233-0.0031 ( 12686 PWs) bands (ev): -61.2210 -61.2210 -61.2142 -61.2142 -34.1297 -34.1297 -34.1020 -34.1020 -25.5731 -25.5731 -25.4391 -25.4391 -25.3747 -25.3747 -25.3614 -25.3614 -6.6980 -6.6980 -5.4980 -5.4980 -5.3259 -5.3259 -5.2254 -5.2254 -4.9691 -4.9691 -4.9567 -4.9567 -3.6411 -3.6411 -3.4683 -3.4683 -3.2686 -3.2686 -3.1060 -3.1060 0.9546 0.9546 1.0540 1.0540 2.0599 2.0599 2.3069 2.3069 2.4276 2.4276 2.6040 2.6040 2.7854 2.7854 2.8907 2.8907 3.5428 3.5428 3.6319 3.6319 3.8761 3.8761 4.0326 4.0326 4.1047 4.1047 4.2891 4.2891 4.4752 4.4752 4.6694 4.6694 5.0890 5.0890 5.3105 5.3105 5.3937 5.3937 5.4676 5.4676 5.6254 5.6254 5.6804 5.6804 5.8782 5.8782 6.0359 6.0359 6.0598 6.0598 6.4210 6.4210 7.1645 7.1645 8.0032 8.0032 8.1057 8.1057 8.2985 8.2985 9.0201 9.0201 9.0921 9.0921 9.3422 9.3422 9.4930 9.4930 9.5679 9.5679 k = 0.0172-0.0116-0.0015 ( 12687 PWs) bands (ev): -61.2210 -61.2210 -61.2142 -61.2142 -34.1297 -34.1297 -34.1019 -34.1019 -25.5735 -25.5735 -25.4389 -25.4389 -25.3745 -25.3745 -25.3613 -25.3613 -6.7011 -6.7011 -5.4978 -5.4978 -5.3252 -5.3252 -5.2246 -5.2246 -4.9674 -4.9674 -4.9542 -4.9542 -3.6400 -3.6400 -3.4652 -3.4652 -3.2738 -3.2738 -3.1051 -3.1051 0.9461 0.9461 1.0502 1.0502 2.0664 2.0664 2.3137 2.3137 2.4217 2.4217 2.6001 2.6001 2.7787 2.7787 2.8952 2.8952 3.5555 3.5555 3.6210 3.6210 3.8745 3.8745 4.0438 4.0438 4.0849 4.0849 4.2844 4.2844 4.4721 4.4721 4.6721 4.6721 5.0913 5.0913 5.3199 5.3199 5.4017 5.4017 5.4737 5.4737 5.6353 5.6353 5.6693 5.6693 5.8818 5.8818 6.0347 6.0347 6.0473 6.0473 6.4227 6.4227 7.1750 7.1750 8.0094 8.0094 8.1042 8.1042 8.2995 8.2995 9.0265 9.0265 9.0860 9.0860 9.3468 9.3468 9.4987 9.4987 9.5654 9.5654 k = 0.0000 0.0000 0.0000 ( 12695 PWs) bands (ev): -61.2210 -61.2210 -61.2142 -61.2142 -34.1298 -34.1298 -34.1019 -34.1019 -25.5736 -25.5736 -25.4389 -25.4389 -25.3745 -25.3745 -25.3613 -25.3613 -6.7022 -6.7022 -5.4977 -5.4977 -5.3250 -5.3250 -5.2243 -5.2243 -4.9668 -4.9668 -4.9533 -4.9533 -3.6397 -3.6397 -3.4640 -3.4640 -3.2756 -3.2756 -3.1048 -3.1048 0.9433 0.9433 1.0489 1.0489 2.0687 2.0687 2.3162 2.3162 2.4195 2.4195 2.5988 2.5988 2.7764 2.7764 2.8967 2.8967 3.5610 3.5610 3.6161 3.6161 3.8738 3.8738 4.0525 4.0525 4.0733 4.0733 4.2828 4.2828 4.4711 4.4711 4.6730 4.6730 5.0921 5.0921 5.3231 5.3231 5.4046 5.4046 5.4757 5.4757 5.6424 5.6424 5.6617 5.6617 5.8830 5.8830 6.0375 6.0375 6.0399 6.0399 6.4233 6.4233 7.1785 7.1785 8.0116 8.0116 8.1036 8.1036 8.2998 8.2998 9.0291 9.0291 9.0833 9.0833 9.3484 9.3484 9.5008 9.5008 9.5644 9.5644 k = 0.0000 0.0000 0.0000 ( 12695 PWs) bands (ev): -61.2210 -61.2210 -61.2142 -61.2142 -34.1298 -34.1298 -34.1019 -34.1019 -25.5736 -25.5736 -25.4389 -25.4389 -25.3745 -25.3745 -25.3613 -25.3613 -6.7022 -6.7022 -5.4977 -5.4977 -5.3250 -5.3250 -5.2243 -5.2243 -4.9668 -4.9668 -4.9533 -4.9533 -3.6397 -3.6397 -3.4640 -3.4640 -3.2756 -3.2756 -3.1048 -3.1048 0.9433 0.9433 1.0489 1.0489 2.0687 2.0687 2.3162 2.3162 2.4195 2.4195 2.5988 2.5988 2.7764 2.7764 2.8967 2.8967 3.5610 3.5610 3.6161 3.6161 3.8738 3.8738 4.0525 4.0525 4.0733 4.0733 4.2828 4.2828 4.4711 4.4711 4.6730 4.6730 5.0921 5.0921 5.3231 5.3231 5.4046 5.4046 5.4757 5.4757 5.6424 5.6424 5.6617 5.6617 5.8830 5.8830 6.0375 6.0375 6.0399 6.0399 6.4233 6.4233 7.1785 7.1785 8.0116 8.0116 8.1036 8.1036 8.2998 8.2998 9.0291 9.0291 9.0833 9.0833 9.3484 9.3484 9.5008 9.5008 9.5644 9.5644 k =-0.0179-0.0036 0.0097 ( 12686 PWs) bands (ev): -61.2210 -61.2210 -61.2142 -61.2142 -34.1297 -34.1297 -34.1019 -34.1019 -25.5734 -25.5734 -25.4389 -25.4389 -25.3745 -25.3745 -25.3613 -25.3613 -6.7012 -6.7012 -5.4977 -5.4977 -5.3252 -5.3252 -5.2244 -5.2244 -4.9673 -4.9673 -4.9547 -4.9547 -3.6395 -3.6395 -3.4642 -3.4642 -3.2756 -3.2756 -3.1046 -3.1046 0.9466 0.9466 1.0499 1.0499 2.0665 2.0665 2.3153 2.3153 2.4214 2.4214 2.5993 2.5993 2.7784 2.7784 2.8934 2.8934 3.5519 3.5519 3.6235 3.6235 3.8745 3.8745 4.0540 4.0540 4.0744 4.0744 4.2855 4.2855 4.4717 4.4717 4.6719 4.6719 5.0913 5.0913 5.3215 5.3215 5.4007 5.4007 5.4746 5.4746 5.6343 5.6343 5.6701 5.6701 5.8814 5.8814 6.0275 6.0275 6.0548 6.0548 6.4241 6.4241 7.1753 7.1753 8.0096 8.0096 8.1050 8.1050 8.3009 8.3009 9.0302 9.0302 9.0827 9.0827 9.3466 9.3466 9.5000 9.5000 9.5634 9.5634 k =-0.0357-0.0071 0.0194 ( 12688 PWs) bands (ev): -61.2210 -61.2210 -61.2142 -61.2142 -34.1297 -34.1297 -34.1020 -34.1020 -25.5731 -25.5731 -25.4391 -25.4391 -25.3747 -25.3747 -25.3614 -25.3614 -6.6981 -6.6981 -5.4978 -5.4978 -5.3258 -5.3258 -5.2248 -5.2248 -4.9691 -4.9691 -4.9583 -4.9583 -3.6388 -3.6388 -3.4645 -3.4645 -3.2759 -3.2759 -3.1039 -3.1039 0.9567 0.9567 1.0532 1.0532 2.0601 2.0601 2.3128 2.3128 2.4268 2.4268 2.6009 2.6009 2.7838 2.7838 2.8839 2.8839 3.5319 3.5319 3.6382 3.6382 3.8763 3.8763 4.0579 4.0579 4.0785 4.0785 4.2934 4.2934 4.4736 4.4736 4.6688 4.6688 5.0889 5.0889 5.3165 5.3165 5.3901 5.3901 5.4704 5.4704 5.6226 5.6226 5.6825 5.6825 5.8770 5.8770 6.0220 6.0220 6.0745 6.0745 6.4263 6.4263 7.1658 7.1658 8.0039 8.0039 8.1087 8.1087 8.3040 8.3040 9.0328 9.0328 9.0815 9.0815 9.3411 9.3411 9.4975 9.4975 9.5605 9.5605 k =-0.0536-0.0107 0.0291 ( 12686 PWs) bands (ev): -61.2210 -61.2210 -61.2142 -61.2142 -34.1296 -34.1296 -34.1021 -34.1021 -25.5725 -25.5725 -25.4394 -25.4394 -25.3749 -25.3749 -25.3615 -25.3615 -6.6930 -6.6930 -5.4979 -5.4979 -5.3267 -5.3267 -5.2253 -5.2253 -4.9738 -4.9738 -4.9626 -4.9626 -3.6377 -3.6377 -3.4650 -3.4650 -3.2762 -3.2762 -3.1029 -3.1029 0.9732 0.9732 1.0588 1.0588 2.0497 2.0497 2.3093 2.3093 2.4349 2.4349 2.6037 2.6037 2.7907 2.7907 2.8705 2.8705 3.5074 3.5074 3.6538 3.6538 3.8791 3.8791 4.0624 4.0624 4.0873 4.0873 4.3057 4.3057 4.4769 4.4769 4.6641 4.6641 5.0847 5.0847 5.3078 5.3078 5.3753 5.3753 5.4617 5.4617 5.6129 5.6129 5.6926 5.6926 5.8709 5.8709 6.0224 6.0224 6.0966 6.0966 6.4298 6.4298 7.1505 7.1505 7.9959 7.9959 8.1139 8.1139 8.3090 8.3090 9.0351 9.0351 9.0815 9.0815 9.3324 9.3324 9.4935 9.4935 9.5557 9.5557 k =-0.0714-0.0142 0.0387 ( 12678 PWs) bands (ev): -61.2209 -61.2209 -61.2143 -61.2143 -34.1294 -34.1294 -34.1022 -34.1022 -25.5717 -25.5717 -25.4398 -25.4398 -25.3752 -25.3752 -25.3617 -25.3617 -6.6858 -6.6858 -5.4980 -5.4980 -5.3279 -5.3279 -5.2262 -5.2262 -4.9830 -4.9830 -4.9658 -4.9658 -3.6361 -3.6361 -3.4658 -3.4658 -3.2767 -3.2767 -3.1014 -3.1014 0.9960 0.9960 1.0668 1.0668 2.0358 2.0358 2.3053 2.3053 2.4451 2.4451 2.6078 2.6078 2.7934 2.7934 2.8590 2.8590 3.4807 3.4807 3.6677 3.6677 3.8827 3.8827 4.0668 4.0668 4.1014 4.1014 4.3216 4.3216 4.4818 4.4818 4.6585 4.6585 5.0784 5.0784 5.2951 5.2951 5.3582 5.3582 5.4488 5.4488 5.6052 5.6052 5.6990 5.6990 5.8646 5.8646 6.0279 6.0279 6.1197 6.1197 6.4345 6.4345 7.1302 7.1302 7.9870 7.9870 8.1198 8.1198 8.3155 8.3155 9.0338 9.0338 9.0858 9.0858 9.3209 9.3209 9.4881 9.4881 9.5491 9.5491 k =-0.0893-0.0178 0.0484 ( 12684 PWs) bands (ev): -61.2209 -61.2209 -61.2143 -61.2143 -34.1292 -34.1292 -34.1024 -34.1024 -25.5706 -25.5706 -25.4403 -25.4403 -25.3755 -25.3755 -25.3619 -25.3619 -6.6767 -6.6767 -5.4983 -5.4983 -5.3295 -5.3295 -5.2272 -5.2272 -4.9962 -4.9962 -4.9684 -4.9684 -3.6341 -3.6341 -3.4667 -3.4667 -3.2773 -3.2773 -3.0995 -3.0995 1.0243 1.0243 1.0779 1.0779 2.0189 2.0189 2.3011 2.3011 2.4565 2.4565 2.6134 2.6134 2.7824 2.7824 2.8596 2.8596 3.4528 3.4528 3.6785 3.6785 3.8874 3.8874 4.0711 4.0711 4.1198 4.1198 4.3402 4.3402 4.4882 4.4882 4.6532 4.6532 5.0697 5.0697 5.2787 5.2787 5.3396 5.3396 5.4335 5.4335 5.5979 5.5979 5.7011 5.7011 5.8593 5.8593 6.0376 6.0376 6.1427 6.1427 6.4399 6.4399 7.1063 7.1063 7.9783 7.9783 8.1257 8.1257 8.3233 8.3233 9.0268 9.0268 9.0964 9.0964 9.3075 9.3075 9.4812 9.4812 9.5410 9.5410 k =-0.1071-0.0213 0.0581 ( 12687 PWs) bands (ev): -61.2208 -61.2208 -61.2144 -61.2144 -34.1290 -34.1290 -34.1026 -34.1026 -25.5693 -25.5693 -25.4410 -25.4410 -25.3759 -25.3759 -25.3622 -25.3622 -6.6655 -6.6655 -5.4987 -5.4987 -5.3313 -5.3313 -5.2286 -5.2286 -5.0125 -5.0125 -4.9711 -4.9711 -3.6316 -3.6316 -3.4678 -3.4678 -3.2781 -3.2781 -3.0973 -3.0973 1.0559 1.0559 1.0942 1.0942 1.9997 1.9997 2.2970 2.2970 2.4686 2.4686 2.6202 2.6202 2.7578 2.7578 2.8726 2.8726 3.4247 3.4247 3.6854 3.6854 3.8935 3.8935 4.0747 4.0747 4.1413 4.1413 4.3610 4.3610 4.4955 4.4955 4.6496 4.6496 5.0581 5.0581 5.2597 5.2597 5.3195 5.3195 5.4180 5.4180 5.5891 5.5891 5.6987 5.6987 5.8560 5.8560 6.0503 6.0503 6.1647 6.1647 6.4456 6.4456 7.0803 7.0803 7.9706 7.9706 8.1314 8.1314 8.3320 8.3320 9.0147 9.0147 9.1121 9.1121 9.2928 9.2928 9.4723 9.4723 9.5322 9.5322 k =-0.1250-0.0249 0.0678 ( 12685 PWs) bands (ev): -61.2208 -61.2208 -61.2144 -61.2144 -34.1287 -34.1287 -34.1029 -34.1029 -25.5679 -25.5679 -25.4418 -25.4418 -25.3763 -25.3763 -25.3625 -25.3625 -6.6523 -6.6523 -5.4993 -5.4993 -5.3332 -5.3332 -5.2304 -5.2304 -5.0314 -5.0314 -4.9741 -4.9741 -3.6286 -3.6286 -3.4690 -3.4690 -3.2791 -3.2791 -3.0947 -3.0947 1.0839 1.0839 1.1223 1.1223 1.9787 1.9787 2.2928 2.2928 2.4806 2.4806 2.6274 2.6274 2.7277 2.7277 2.8912 2.8912 3.3974 3.3974 3.6877 3.6877 3.9013 3.9013 4.0763 4.0763 4.1652 4.1652 4.3836 4.3836 4.5032 4.5032 4.6497 4.6497 5.0429 5.0429 5.2393 5.2393 5.2979 5.2979 5.4033 5.4033 5.5775 5.5775 5.6925 5.6925 5.8550 5.8550 6.0649 6.0649 6.1849 6.1849 6.4511 6.4511 7.0542 7.0542 7.9643 7.9643 8.1365 8.1365 8.3414 8.3414 8.9982 8.9982 9.1312 9.1312 9.2775 9.2775 9.4606 9.4606 9.5239 9.5239 k =-0.1429-0.0284 0.0775 ( 12683 PWs) bands (ev): -61.2207 -61.2207 -61.2145 -61.2145 -34.1284 -34.1284 -34.1032 -34.1032 -25.5661 -25.5661 -25.4428 -25.4428 -25.3768 -25.3768 -25.3629 -25.3629 -6.6372 -6.6372 -5.5002 -5.5002 -5.3354 -5.3354 -5.2326 -5.2326 -5.0524 -5.0524 -4.9775 -4.9775 -3.6251 -3.6251 -3.4703 -3.4703 -3.2801 -3.2801 -3.0918 -3.0918 1.1052 1.1052 1.1652 1.1652 1.9566 1.9566 2.2884 2.2884 2.4915 2.4915 2.6315 2.6315 2.6997 2.6997 2.9116 2.9116 3.3721 3.3721 3.6855 3.6855 3.9106 3.9106 4.0750 4.0750 4.1911 4.1911 4.4067 4.4067 4.5108 4.5108 4.6550 4.6550 5.0236 5.0236 5.2190 5.2190 5.2755 5.2755 5.3898 5.3898 5.5621 5.5621 5.6836 5.6836 5.8559 5.8559 6.0804 6.0804 6.2024 6.2024 6.4559 6.4559 7.0302 7.0302 7.9597 7.9597 8.1410 8.1410 8.3513 8.3513 8.9779 8.9779 9.1523 9.1523 9.2624 9.2624 9.4453 9.4453 9.5175 9.5175 k =-0.1607-0.0320 0.0872 ( 12676 PWs) bands (ev): -61.2206 -61.2206 -61.2146 -61.2146 -34.1280 -34.1280 -34.1036 -34.1036 -25.5642 -25.5642 -25.4439 -25.4439 -25.3773 -25.3773 -25.3633 -25.3633 -6.6201 -6.6201 -5.5016 -5.5016 -5.3377 -5.3377 -5.2354 -5.2354 -5.0751 -5.0751 -4.9815 -4.9815 -3.6211 -3.6211 -3.4717 -3.4717 -3.2813 -3.2813 -3.0887 -3.0887 1.1247 1.1247 1.2176 1.2176 1.9339 1.9339 2.2835 2.2835 2.4997 2.4997 2.6228 2.6228 2.6866 2.6866 2.9317 2.9317 3.3504 3.3504 3.6793 3.6793 3.9204 3.9204 4.0699 4.0699 4.2184 4.2184 4.4274 4.4274 4.5207 4.5207 4.6656 4.6656 4.9998 4.9998 5.1992 5.1992 5.2536 5.2536 5.3770 5.3770 5.5423 5.5423 5.6737 5.6737 5.8583 5.8583 6.0959 6.0959 6.2168 6.2168 6.4594 6.4594 7.0103 7.0103 7.9568 7.9568 8.1449 8.1449 8.3617 8.3617 8.9534 8.9534 9.1731 9.1731 9.2485 9.2485 9.4263 9.4263 9.5136 9.5136 k =-0.1786-0.0355 0.0969 ( 12686 PWs) bands (ev): -61.2205 -61.2205 -61.2147 -61.2147 -34.1276 -34.1276 -34.1040 -34.1040 -25.5621 -25.5621 -25.4453 -25.4453 -25.3778 -25.3778 -25.3638 -25.3638 -6.6012 -6.6012 -5.5035 -5.5035 -5.3401 -5.3401 -5.2392 -5.2392 -5.0987 -5.0987 -4.9860 -4.9860 -3.6167 -3.6167 -3.4731 -3.4731 -3.2826 -3.2826 -3.0853 -3.0853 1.1452 1.1452 1.2767 1.2767 1.9112 1.9112 2.2778 2.2778 2.5018 2.5018 2.6007 2.6007 2.6927 2.6927 2.9499 2.9499 3.3338 3.3338 3.6699 3.6699 3.9294 3.9294 4.0611 4.0611 4.2465 4.2465 4.4418 4.4418 4.5373 4.5373 4.6801 4.6801 4.9719 4.9719 5.1795 5.1795 5.2344 5.2344 5.3640 5.3640 5.5184 5.5184 5.6642 5.6642 5.8616 5.8616 6.1108 6.1108 6.2276 6.2276 6.4610 6.4610 6.9962 6.9962 7.9555 7.9555 8.1483 8.1483 8.3725 8.3725 8.9247 8.9247 9.1896 9.1896 9.2380 9.2380 9.4053 9.4053 9.5122 9.5122 k =-0.1964-0.0391 0.1066 ( 12694 PWs) bands (ev): -61.2204 -61.2204 -61.2148 -61.2148 -34.1272 -34.1272 -34.1044 -34.1044 -25.5597 -25.5597 -25.4468 -25.4468 -25.3782 -25.3782 -25.3643 -25.3643 -6.5803 -6.5803 -5.5063 -5.5063 -5.3426 -5.3426 -5.2445 -5.2445 -5.1222 -5.1222 -4.9911 -4.9911 -3.6118 -3.6118 -3.4746 -3.4746 -3.2840 -3.2840 -3.0817 -3.0817 1.1672 1.1672 1.3414 1.3414 1.8891 1.8891 2.2709 2.2709 2.4923 2.4923 2.5815 2.5815 2.7077 2.7077 2.9649 2.9649 3.3240 3.3240 3.6581 3.6581 3.9357 3.9357 4.0496 4.0496 4.2745 4.2745 4.4488 4.4488 4.5625 4.5625 4.6956 4.6956 4.9409 4.9409 5.1586 5.1586 5.2198 5.2198 5.3496 5.3496 5.4924 5.4924 5.6560 5.6560 5.8654 5.8654 6.1245 6.1245 6.2348 6.2348 6.4605 6.4605 6.9889 6.9889 7.9556 7.9556 8.1514 8.1514 8.3835 8.3835 8.8912 8.8912 9.1932 9.1932 9.2364 9.2364 9.3850 9.3850 9.5126 9.5126 k =-0.2143-0.0426 0.1162 ( 12702 PWs) bands (ev): -61.2203 -61.2203 -61.2149 -61.2149 -34.1267 -34.1267 -34.1049 -34.1049 -25.5572 -25.5572 -25.4485 -25.4485 -25.3787 -25.3787 -25.3649 -25.3649 -6.5576 -6.5576 -5.5101 -5.5101 -5.3452 -5.3452 -5.2521 -5.2521 -5.1443 -5.1443 -4.9967 -4.9967 -3.6065 -3.6065 -3.4761 -3.4761 -3.2855 -3.2855 -3.0780 -3.0780 1.1909 1.1909 1.4111 1.4111 1.8680 1.8680 2.2619 2.2619 2.4691 2.4691 2.5722 2.5722 2.7269 2.7269 2.9762 2.9762 3.3222 3.3222 3.6443 3.6443 3.9370 3.9370 4.0371 4.0371 4.3008 4.3008 4.4527 4.4527 4.5926 4.5926 4.7086 4.7086 4.9092 4.9092 5.1358 5.1358 5.2113 5.2113 5.3326 5.3326 5.4674 5.4674 5.6497 5.6497 5.8692 5.8692 6.1365 6.1365 6.2384 6.2384 6.4574 6.4574 6.9889 6.9889 7.9569 7.9569 8.1546 8.1546 8.3946 8.3946 8.8526 8.8526 9.1817 9.1817 9.2417 9.2417 9.3696 9.3696 9.5136 9.5136 k =-0.2321-0.0462 0.1259 ( 12708 PWs) bands (ev): -61.2202 -61.2202 -61.2151 -61.2151 -34.1262 -34.1262 -34.1054 -34.1054 -25.5545 -25.5545 -25.4504 -25.4504 -25.3791 -25.3791 -25.3655 -25.3655 -6.5331 -6.5331 -5.5154 -5.5154 -5.3481 -5.3481 -5.2629 -5.2629 -5.1630 -5.1630 -5.0029 -5.0029 -3.6008 -3.6008 -3.4776 -3.4776 -3.2870 -3.2870 -3.0743 -3.0743 1.2164 1.2164 1.4851 1.4851 1.8485 1.8485 2.2499 2.2499 2.4386 2.4386 2.5683 2.5683 2.7486 2.7486 2.9843 2.9843 3.3284 3.3284 3.6293 3.6293 3.9312 3.9312 4.0252 4.0252 4.3234 4.3234 4.4586 4.4586 4.6206 4.6206 4.7164 4.7164 4.8803 4.8803 5.1116 5.1116 5.2084 5.2084 5.3125 5.3125 5.4472 5.4472 5.6452 5.6452 5.8727 5.8727 6.1463 6.1463 6.2389 6.2389 6.4515 6.4515 6.9961 6.9961 7.9591 7.9591 8.1583 8.1583 8.4058 8.4058 8.8088 8.8088 9.1617 9.1617 9.2438 9.2438 9.3626 9.3626 9.5135 9.5135 k =-0.2500-0.0497 0.1356 ( 12714 PWs) bands (ev): -61.2200 -61.2200 -61.2152 -61.2152 -34.1257 -34.1257 -34.1060 -34.1060 -25.5517 -25.5517 -25.4524 -25.4524 -25.3794 -25.3794 -25.3661 -25.3661 -6.5068 -6.5068 -5.5227 -5.5227 -5.3514 -5.3514 -5.2774 -5.2774 -5.1771 -5.1771 -5.0096 -5.0096 -3.5948 -3.5948 -3.4790 -3.4790 -3.2886 -3.2886 -3.0706 -3.0706 1.2438 1.2438 1.5625 1.5625 1.8315 1.8315 2.2338 2.2338 2.4070 2.4070 2.5649 2.5649 2.7719 2.7719 2.9908 2.9908 3.3418 3.3418 3.6133 3.6133 3.9177 3.9177 4.0146 4.0146 4.3401 4.3401 4.4689 4.4689 4.6360 4.6360 4.7211 4.7211 4.8582 4.8582 5.0882 5.0882 5.2099 5.2099 5.2916 5.2916 5.4339 5.4339 5.6425 5.6425 5.8758 5.8758 6.1535 6.1535 6.2367 6.2367 6.4428 6.4428 7.0100 7.0100 7.9618 7.9618 8.1631 8.1631 8.4168 8.4168 8.7598 8.7598 9.1356 9.1356 9.2409 9.2409 9.3628 9.3628 9.5111 9.5111 k =-0.2679-0.0533 0.1453 ( 12709 PWs) bands (ev): -61.2199 -61.2199 -61.2153 -61.2153 -34.1251 -34.1251 -34.1065 -34.1065 -25.5486 -25.5486 -25.4547 -25.4547 -25.3797 -25.3797 -25.3667 -25.3667 -6.4789 -6.4789 -5.5328 -5.5328 -5.3554 -5.3554 -5.2946 -5.2946 -5.1864 -5.1864 -5.0168 -5.0168 -3.5886 -3.5886 -3.4804 -3.4804 -3.2901 -3.2901 -3.0669 -3.0669 1.2730 1.2730 1.6412 1.6412 1.8188 1.8188 2.2127 2.2127 2.3775 2.3775 2.5598 2.5598 2.7961 2.7961 2.9980 2.9980 3.3607 3.3607 3.5967 3.5967 3.8976 3.8976 4.0044 4.0044 4.3503 4.3503 4.4804 4.4804 4.6302 4.6302 4.7261 4.7261 4.8474 4.8474 5.0683 5.0683 5.2130 5.2130 5.2758 5.2758 5.4272 5.4272 5.6414 5.6414 5.8779 5.8779 6.1574 6.1574 6.2327 6.2327 6.4311 6.4311 7.0301 7.0301 7.9646 7.9646 8.1695 8.1695 8.4273 8.4273 8.7064 8.7064 9.1050 9.1050 9.2359 9.2359 9.3656 9.3656 9.5070 9.5070 k =-0.2857-0.0568 0.1550 ( 12703 PWs) bands (ev): -61.2198 -61.2198 -61.2155 -61.2155 -34.1245 -34.1245 -34.1071 -34.1071 -25.5454 -25.5454 -25.4572 -25.4572 -25.3798 -25.3798 -25.3674 -25.3674 -6.4492 -6.4492 -5.5464 -5.5464 -5.3607 -5.3607 -5.3117 -5.3117 -5.1918 -5.1918 -5.0244 -5.0244 -3.5822 -3.5822 -3.4818 -3.4818 -3.2917 -3.2917 -3.0633 -3.0633 1.3038 1.3038 1.7132 1.7132 1.8180 1.8180 2.1865 2.1865 2.3511 2.3511 2.5527 2.5527 2.8206 2.8206 3.0077 3.0077 3.3830 3.3830 3.5799 3.5799 3.8733 3.8733 3.9930 3.9930 4.3545 4.3545 4.4803 4.4803 4.6170 4.6170 4.7210 4.7210 4.8535 4.8535 5.0537 5.0537 5.2133 5.2133 5.2722 5.2722 5.4260 5.4260 5.6416 5.6416 5.8787 5.8787 6.1578 6.1578 6.2275 6.2275 6.4164 6.4164 7.0555 7.0555 7.9670 7.9670 8.1778 8.1778 8.4366 8.4366 8.6499 8.6499 9.0714 9.0714 9.2306 9.2306 9.3667 9.3667 9.5036 9.5036 k =-0.3036-0.0604 0.1647 ( 12700 PWs) bands (ev): -61.2196 -61.2196 -61.2156 -61.2156 -34.1239 -34.1239 -34.1077 -34.1077 -25.5420 -25.5420 -25.4599 -25.4599 -25.3799 -25.3799 -25.3681 -25.3681 -6.4181 -6.4181 -5.5644 -5.5644 -5.3679 -5.3679 -5.3260 -5.3260 -5.1944 -5.1944 -5.0325 -5.0325 -3.5757 -3.5757 -3.4831 -3.4831 -3.2932 -3.2932 -3.0598 -3.0598 1.3362 1.3362 1.7503 1.7503 1.8567 1.8567 2.1562 2.1562 2.3272 2.3272 2.5445 2.5445 2.8447 2.8447 3.0212 3.0212 3.4065 3.4065 3.5634 3.5634 3.8467 3.8467 3.9795 3.9795 4.3502 4.3502 4.4544 4.4544 4.6178 4.6178 4.7027 4.7027 4.8748 4.8748 5.0441 5.0441 5.2115 5.2115 5.2821 5.2821 5.4290 5.4290 5.6430 5.6430 5.8780 5.8780 6.1541 6.1541 6.2219 6.2219 6.3990 6.3990 7.0857 7.0857 7.9687 7.9687 8.1882 8.1882 8.4425 8.4425 8.5935 8.5935 9.0363 9.0363 9.2256 9.2256 9.3646 9.3646 9.5023 9.5023 k =-0.3214-0.0639 0.1744 ( 12695 PWs) bands (ev): -61.2194 -61.2194 -61.2158 -61.2158 -34.1232 -34.1232 -34.1084 -34.1084 -25.5385 -25.5385 -25.4628 -25.4628 -25.3799 -25.3799 -25.3688 -25.3688 -6.3854 -6.3854 -5.5872 -5.5872 -5.3768 -5.3768 -5.3361 -5.3361 -5.1950 -5.1950 -5.0409 -5.0409 -3.5692 -3.5692 -3.4844 -3.4844 -3.2947 -3.2947 -3.0565 -3.0565 1.3701 1.3701 1.7535 1.7535 1.9319 1.9319 2.1239 2.1239 2.3049 2.3049 2.5365 2.5365 2.8684 2.8684 3.0390 3.0390 3.4286 3.4286 3.5484 3.5484 3.8193 3.8193 3.9639 3.9639 4.3252 4.3252 4.4167 4.4167 4.6230 4.6230 4.6898 4.6898 4.9016 4.9016 5.0384 5.0384 5.2134 5.2134 5.2996 5.2996 5.4356 5.4356 5.6452 5.6452 5.8754 5.8754 6.1467 6.1467 6.2161 6.2161 6.3791 6.3791 7.1203 7.1203 7.9692 7.9692 8.2000 8.2000 8.4392 8.4392 8.5452 8.5452 9.0003 9.0003 9.2208 9.2208 9.3592 9.3592 9.5024 9.5024 k =-0.3393-0.0675 0.1840 ( 12693 PWs) bands (ev): -61.2193 -61.2193 -61.2159 -61.2159 -34.1225 -34.1225 -34.1090 -34.1090 -25.5349 -25.5349 -25.4658 -25.4658 -25.3799 -25.3799 -25.3695 -25.3695 -6.3512 -6.3512 -5.6149 -5.6149 -5.3860 -5.3860 -5.3427 -5.3427 -5.1941 -5.1941 -5.0496 -5.0496 -3.5628 -3.5628 -3.4856 -3.4856 -3.2961 -3.2961 -3.0535 -3.0535 1.4053 1.4053 1.7499 1.7499 2.0098 2.0098 2.0952 2.0952 2.2840 2.2840 2.5307 2.5307 2.8914 2.8914 3.0605 3.0605 3.4453 3.4453 3.5379 3.5379 3.7921 3.7921 3.9467 3.9467 4.2653 4.2653 4.3908 4.3908 4.6114 4.6114 4.7028 4.7028 4.9264 4.9264 5.0373 5.0373 5.2219 5.2219 5.3199 5.3199 5.4456 5.4456 5.6480 5.6480 5.8706 5.8706 6.1361 6.1361 6.2100 6.2100 6.3573 6.3573 7.1588 7.1588 7.9682 7.9682 8.2107 8.2107 8.4155 8.4155 8.5198 8.5198 8.9638 8.9638 9.2162 9.2162 9.3516 9.3516 9.5025 9.5025 k =-0.3571-0.0710 0.1937 ( 12688 PWs) bands (ev): -61.2191 -61.2191 -61.2161 -61.2161 -34.1218 -34.1218 -34.1097 -34.1097 -25.5312 -25.5312 -25.4690 -25.4690 -25.3797 -25.3797 -25.3703 -25.3703 -6.3158 -6.3158 -5.6469 -5.6469 -5.3942 -5.3942 -5.3472 -5.3472 -5.1920 -5.1920 -5.0585 -5.0585 -3.5566 -3.5566 -3.4869 -3.4869 -3.2974 -3.2974 -3.0507 -3.0507 1.4415 1.4415 1.7463 1.7463 2.0353 2.0353 2.1124 2.1124 2.2690 2.2690 2.5295 2.5295 2.9140 2.9140 3.0850 3.0850 3.4503 3.4503 3.5367 3.5367 3.7656 3.7656 3.9281 3.9281 4.1833 4.1833 4.3686 4.3686 4.5964 4.5964 4.7285 4.7285 4.9444 4.9444 5.0437 5.0437 5.2366 5.2366 5.3399 5.3399 5.4589 5.4589 5.6511 5.6511 5.8637 5.8637 6.1232 6.1232 6.2030 6.2030 6.3344 6.3344 7.2010 7.2010 7.9652 7.9652 8.2137 8.2137 8.3802 8.3802 8.5163 8.5163 8.9268 8.9268 9.2117 9.2117 9.3426 9.3426 9.5018 9.5018 k =-0.3750-0.0746 0.2034 ( 12690 PWs) bands (ev): -61.2189 -61.2189 -61.2163 -61.2163 -34.1211 -34.1211 -34.1104 -34.1104 -25.5274 -25.5274 -25.4724 -25.4724 -25.3795 -25.3795 -25.3710 -25.3710 -6.2792 -6.2792 -5.6824 -5.6824 -5.4007 -5.4007 -5.3506 -5.3506 -5.1889 -5.1889 -5.0675 -5.0675 -3.5507 -3.5507 -3.4881 -3.4881 -3.2986 -3.2986 -3.0482 -3.0482 1.4784 1.4784 1.7443 1.7443 2.0078 2.0078 2.1520 2.1520 2.2790 2.2790 2.5370 2.5370 2.9363 2.9363 3.1114 3.1114 3.4421 3.4421 3.5455 3.5455 3.7402 3.7402 3.9066 3.9066 4.0953 4.0953 4.3402 4.3402 4.5899 4.5899 4.7530 4.7530 4.9560 4.9560 5.0582 5.0582 5.2559 5.2559 5.3578 5.3578 5.4748 5.4748 5.6546 5.6546 5.8550 5.8550 6.1086 6.1086 6.1949 6.1949 6.3115 6.3115 7.2467 7.2467 7.9593 7.9593 8.1968 8.1968 8.3603 8.3603 8.5213 8.5213 8.8891 8.8891 9.2074 9.2074 9.3327 9.3327 9.5001 9.5001 k =-0.3929-0.0781 0.2131 ( 12691 PWs) bands (ev): -61.2188 -61.2188 -61.2165 -61.2165 -34.1204 -34.1204 -34.1111 -34.1111 -25.5236 -25.5236 -25.4759 -25.4759 -25.3792 -25.3792 -25.3718 -25.3718 -6.2415 -6.2415 -5.7205 -5.7205 -5.4056 -5.4056 -5.3533 -5.3533 -5.1850 -5.1850 -5.0765 -5.0765 -3.5452 -3.5452 -3.4892 -3.4892 -3.2996 -3.2996 -3.0460 -3.0460 1.5156 1.5156 1.7442 1.7442 1.9762 1.9762 2.1485 2.1485 2.3243 2.3243 2.5597 2.5597 2.9584 2.9584 3.1384 3.1384 3.4258 3.4258 3.5582 3.5582 3.7150 3.7150 3.8741 3.8741 4.0182 4.0182 4.3048 4.3048 4.5932 4.5932 4.7698 4.7698 4.9672 4.9672 5.0775 5.0775 5.2775 5.2775 5.3730 5.3730 5.4918 5.4918 5.6587 5.6587 5.8453 5.8453 6.0921 6.0921 6.1863 6.1863 6.2897 6.2897 7.2957 7.2957 7.9487 7.9487 8.1584 8.1584 8.3657 8.3657 8.5288 8.5288 8.8505 8.8505 9.2032 9.2032 9.3224 9.3224 9.4983 9.4983 k =-0.4107-0.0817 0.2228 ( 12696 PWs) bands (ev): -61.2186 -61.2186 -61.2167 -61.2167 -34.1197 -34.1197 -34.1119 -34.1119 -25.5197 -25.5197 -25.4795 -25.4795 -25.3788 -25.3788 -25.3725 -25.3725 -6.2030 -6.2030 -5.7602 -5.7602 -5.4092 -5.4092 -5.3555 -5.3555 -5.1805 -5.1805 -5.0853 -5.0853 -3.5402 -3.5402 -3.4904 -3.4904 -3.3006 -3.3006 -3.0441 -3.0441 1.5527 1.5527 1.7456 1.7456 1.9461 1.9461 2.1242 2.1242 2.3689 2.3689 2.6061 2.6061 2.9805 2.9805 3.1647 3.1647 3.4059 3.4059 3.5694 3.5694 3.6880 3.6880 3.8161 3.8161 3.9745 3.9745 4.2648 4.2648 4.6037 4.6037 4.7756 4.7756 4.9835 4.9835 5.0971 5.0971 5.2994 5.2994 5.3858 5.3858 5.5075 5.5075 5.6639 5.6639 5.8360 5.8360 6.0728 6.0728 6.1784 6.1784 6.2699 6.2699 7.3476 7.3476 7.9300 7.9300 8.1136 8.1136 8.3868 8.3868 8.5370 8.5370 8.8112 8.8112 9.1993 9.1993 9.3121 9.3121 9.4972 9.4972 k =-0.4286-0.0852 0.2325 ( 12692 PWs) bands (ev): -61.2184 -61.2184 -61.2168 -61.2168 -34.1189 -34.1189 -34.1126 -34.1126 -25.5157 -25.5157 -25.4833 -25.4833 -25.3784 -25.3784 -25.3733 -25.3733 -6.1640 -6.1640 -5.8009 -5.8009 -5.4118 -5.4118 -5.3573 -5.3573 -5.1756 -5.1756 -5.0937 -5.0937 -3.5359 -3.5359 -3.4915 -3.4915 -3.3014 -3.3014 -3.0425 -3.0425 1.5891 1.5891 1.7475 1.7475 1.9195 1.9195 2.0944 2.0944 2.3962 2.3962 2.6759 2.6759 3.0028 3.0028 3.1891 3.1891 3.3847 3.3847 3.5735 3.5735 3.6530 3.6530 3.7466 3.7466 3.9635 3.9635 4.2227 4.2227 4.6191 4.6191 4.7710 4.7710 5.0052 5.0052 5.1140 5.1140 5.3198 5.3198 5.3964 5.3964 5.5200 5.5200 5.6695 5.6695 5.8300 5.8300 6.0495 6.0495 6.1734 6.1734 6.2522 6.2522 7.4022 7.4022 7.8985 7.8985 8.0763 8.0763 8.4148 8.4148 8.5457 8.5457 8.7712 8.7712 9.1959 9.1959 9.3022 9.3022 9.4974 9.4974 k =-0.4464-0.0888 0.2422 ( 12694 PWs) bands (ev): -61.2182 -61.2182 -61.2170 -61.2170 -34.1182 -34.1182 -34.1134 -34.1134 -25.5117 -25.5117 -25.4871 -25.4871 -25.3779 -25.3779 -25.3740 -25.3740 -6.1251 -6.1251 -5.8414 -5.8414 -5.4135 -5.4135 -5.3588 -5.3588 -5.1706 -5.1706 -5.1015 -5.1015 -3.5322 -3.5322 -3.4925 -3.4925 -3.3020 -3.3020 -3.0413 -3.0413 1.6239 1.6239 1.7477 1.7477 1.8982 1.8982 2.0644 2.0644 2.4102 2.4102 2.7571 2.7571 3.0267 3.0267 3.2093 3.2093 3.3637 3.3637 3.5468 3.5468 3.6199 3.6199 3.6985 3.6985 3.9703 3.9703 4.1808 4.1808 4.6375 4.6375 4.7588 4.7588 5.0295 5.0295 5.1261 5.1261 5.3384 5.3384 5.4036 5.4036 5.5297 5.5297 5.6728 5.6728 5.8311 5.8311 6.0224 6.0224 6.1727 6.1727 6.2363 6.2363 7.4587 7.4587 7.8533 7.8533 8.0519 8.0519 8.4449 8.4449 8.5553 8.5553 8.7309 8.7309 9.1930 9.1930 9.2936 9.2936 9.4989 9.4989 k =-0.4643-0.0924 0.2518 ( 12694 PWs) bands (ev): -61.2180 -61.2180 -61.2172 -61.2172 -34.1174 -34.1174 -34.1141 -34.1141 -25.5077 -25.5077 -25.4909 -25.4909 -25.3774 -25.3774 -25.3747 -25.3747 -6.0876 -6.0876 -5.8801 -5.8801 -5.4146 -5.4146 -5.3598 -5.3598 -5.1659 -5.1659 -5.1081 -5.1081 -3.5295 -3.5295 -3.4933 -3.4933 -3.3024 -3.3024 -3.0404 -3.0404 1.6564 1.6564 1.7433 1.7433 1.8843 1.8843 2.0379 2.0379 2.4173 2.4173 2.8345 2.8345 3.0555 3.0555 3.2211 3.2211 3.3443 3.3443 3.4769 3.4769 3.6162 3.6162 3.6713 3.6713 3.9870 3.9870 4.1410 4.1410 4.6576 4.6576 4.7420 4.7420 5.0524 5.0524 5.1325 5.1325 5.3555 5.3555 5.4053 5.4053 5.5381 5.5381 5.6716 5.6716 5.8413 5.8413 5.9934 5.9934 6.1763 6.1763 6.2220 6.2220 7.5156 7.5156 7.7999 7.7999 8.0383 8.0383 8.4727 8.4727 8.5679 8.5679 8.6910 8.6910 9.1908 9.1908 9.2868 9.2868 9.5010 9.5010 k =-0.4821-0.0959 0.2615 ( 12703 PWs) bands (ev): -61.2179 -61.2179 -61.2174 -61.2174 -34.1167 -34.1167 -34.1148 -34.1148 -25.5039 -25.5039 -25.4947 -25.4947 -25.3768 -25.3768 -25.3754 -25.3754 -6.0555 -6.0555 -5.9131 -5.9131 -5.4153 -5.4153 -5.3604 -5.3604 -5.1624 -5.1624 -5.1127 -5.1127 -3.5277 -3.5277 -3.4939 -3.4939 -3.3027 -3.3027 -3.0399 -3.0399 1.6854 1.6854 1.7319 1.7319 1.8781 1.8781 2.0189 2.0189 2.4206 2.4206 2.8903 2.8903 3.0941 3.0941 3.2150 3.2150 3.3303 3.3303 3.4137 3.4137 3.6217 3.6217 3.6535 3.6535 4.0079 4.0079 4.1069 4.1069 4.6783 4.6783 4.7228 4.7228 5.0698 5.0698 5.1338 5.1338 5.3709 5.3709 5.4008 5.4008 5.5452 5.5452 5.6675 5.6675 5.8570 5.8570 5.9672 5.9672 6.1830 6.1830 6.2094 6.2094 7.5682 7.5682 7.7476 7.7476 8.0317 8.0317 8.4924 8.4924 8.5871 8.5871 8.6527 8.6527 9.1895 9.1895 9.2824 9.2824 9.5028 9.5028 k =-0.5000-0.0995 0.2712 ( 12700 PWs) bands (ev): -61.2178 -61.2178 -61.2175 -61.2175 -34.1163 -34.1163 -34.1153 -34.1153 -25.5014 -25.5014 -25.4971 -25.4971 -25.3764 -25.3764 -25.3759 -25.3759 -6.0407 -6.0407 -5.9282 -5.9282 -5.4155 -5.4155 -5.3606 -5.3606 -5.1611 -5.1611 -5.1145 -5.1145 -3.5271 -3.5271 -3.4941 -3.4941 -3.3028 -3.3028 -3.0397 -3.0397 1.7048 1.7048 1.7183 1.7183 1.8767 1.8767 2.0119 2.0119 2.4216 2.4216 2.9100 2.9100 3.1238 3.1238 3.1976 3.1976 3.3262 3.3262 3.3889 3.3889 3.6263 3.6263 3.6453 3.6453 4.0202 4.0202 4.0903 4.0903 4.6943 4.6943 4.7073 4.7073 5.0767 5.0767 5.1334 5.1334 5.3800 5.3800 5.3952 5.3952 5.5483 5.5483 5.6652 5.6652 5.8659 5.8659 5.9550 5.9550 6.1884 6.1884 6.2021 6.2021 7.5956 7.5956 7.7199 7.7199 8.0298 8.0298 8.4993 8.4993 8.6090 8.6090 8.6242 8.6242 9.1890 9.1890 9.2809 9.2809 9.5036 9.5036 k =-0.5000-0.5367 0.0517 ( 12694 PWs) bands (ev): -61.2178 -61.2178 -61.2174 -61.2174 -34.1163 -34.1163 -34.1152 -34.1152 -25.5014 -25.5014 -25.4971 -25.4971 -25.3764 -25.3764 -25.3758 -25.3758 -5.8850 -5.8850 -5.8347 -5.8347 -5.4798 -5.4798 -5.3942 -5.3942 -5.3486 -5.3486 -5.2038 -5.2038 -3.6208 -3.6208 -3.4479 -3.4479 -3.1569 -3.1569 -3.0326 -3.0326 1.8531 1.8531 1.8704 1.8704 2.0421 2.0421 2.0580 2.0580 2.4777 2.4777 2.5107 2.5107 3.1728 3.1728 3.2131 3.2131 3.4346 3.4346 3.5624 3.5624 3.7210 3.7210 3.8270 3.8270 3.9514 3.9514 3.9954 3.9954 4.4849 4.4849 4.6046 4.6046 4.9433 4.9433 5.0028 5.0028 5.1454 5.1454 5.2824 5.2824 5.5711 5.5711 5.6275 5.6275 5.7936 5.7936 5.8891 5.8891 6.0722 6.0722 6.1301 6.1301 7.8286 7.8286 7.9000 7.9000 8.1375 8.1375 8.3582 8.3582 8.5405 8.5405 8.6587 8.6587 9.2533 9.2533 9.2934 9.2934 9.5368 9.5368 k =-0.4857-0.5214 0.0502 ( 12683 PWs) bands (ev): -61.2178 -61.2178 -61.2174 -61.2174 -34.1166 -34.1166 -34.1149 -34.1149 -25.5032 -25.5032 -25.4954 -25.4954 -25.3767 -25.3767 -25.3755 -25.3755 -5.8993 -5.8993 -5.8210 -5.8210 -5.4803 -5.4803 -5.3948 -5.3948 -5.3482 -5.3482 -5.2014 -5.2014 -3.6218 -3.6218 -3.4475 -3.4475 -3.1565 -3.1565 -3.0329 -3.0329 1.8478 1.8478 1.8772 1.8772 2.0391 2.0391 2.0598 2.0598 2.4740 2.4740 2.5120 2.5120 3.1240 3.1240 3.2607 3.2607 3.4276 3.4276 3.5683 3.5683 3.7220 3.7220 3.8277 3.8277 3.9436 3.9436 4.0061 4.0061 4.4751 4.4751 4.6150 4.6150 4.9419 4.9419 5.0030 5.0030 5.1453 5.1453 5.2841 5.2841 5.5584 5.5584 5.6375 5.6375 5.7939 5.7939 5.8901 5.8901 6.0545 6.0545 6.1482 6.1482 7.8253 7.8253 7.8989 7.8989 8.1366 8.1366 8.3599 8.3599 8.5372 8.5372 8.6667 8.6668 9.2487 9.2487 9.2977 9.2977 9.5345 9.5345 k =-0.4714-0.5060 0.0488 ( 12686 PWs) bands (ev): -61.2180 -61.2180 -61.2173 -61.2173 -34.1171 -34.1171 -34.1144 -34.1144 -25.5061 -25.5061 -25.4925 -25.4925 -25.3771 -25.3771 -25.3750 -25.3750 -5.9261 -5.9261 -5.7962 -5.7962 -5.4820 -5.4820 -5.3967 -5.3967 -5.3467 -5.3467 -5.1945 -5.1945 -3.6246 -3.6246 -3.4462 -3.4462 -3.1555 -3.1555 -3.0338 -3.0338 1.8395 1.8395 1.8900 1.8900 2.0317 2.0317 2.0637 2.0637 2.4642 2.4642 2.5148 2.5148 3.0607 3.0607 3.3138 3.3138 3.4179 3.4179 3.5810 3.5810 3.7253 3.7253 3.8297 3.8297 3.9306 3.9306 4.0276 4.0276 4.4541 4.4541 4.6377 4.6377 4.9379 4.9379 5.0040 5.0040 5.1453 5.1453 5.2889 5.2889 5.5328 5.5328 5.6548 5.6548 5.7950 5.7950 5.8928 5.8928 6.0244 6.0244 6.1801 6.1801 7.8148 7.8148 7.8967 7.8967 8.1343 8.1343 8.3651 8.3651 8.5291 8.5291 8.6887 8.6887 9.2385 9.2385 9.3070 9.3070 9.5295 9.5295 k =-0.4571-0.4907 0.0473 ( 12690 PWs) bands (ev): -61.2181 -61.2181 -61.2171 -61.2171 -34.1177 -34.1177 -34.1138 -34.1138 -25.5093 -25.5093 -25.4894 -25.4894 -25.3776 -25.3776 -25.3744 -25.3744 -5.9561 -5.9561 -5.7694 -5.7694 -5.4846 -5.4846 -5.3993 -5.3993 -5.3441 -5.3441 -5.1837 -5.1837 -3.6291 -3.6291 -3.4443 -3.4443 -3.1538 -3.1538 -3.0352 -3.0352 1.8317 1.8317 1.9046 1.9046 2.0211 2.0211 2.0686 2.0686 2.4502 2.4502 2.5175 2.5175 2.9988 2.9988 3.3282 3.3282 3.4395 3.4395 3.5930 3.5930 3.7314 3.7314 3.8330 3.8330 3.9203 3.9203 4.0517 4.0517 4.4328 4.4328 4.6616 4.6616 4.9318 4.9318 5.0058 5.0058 5.1469 5.1469 5.2958 5.2958 5.5039 5.5039 5.6686 5.6686 5.7974 5.7974 5.8963 5.8963 5.9965 5.9965 6.2130 6.2130 7.7960 7.7960 7.8952 7.8952 8.1312 8.1312 8.3736 8.3736 8.5189 8.5189 8.7204 8.7204 9.2268 9.2268 9.3170 9.3170 9.5240 9.5240 k =-0.4429-0.4754 0.0458 ( 12696 PWs) bands (ev): -61.2182 -61.2182 -61.2170 -61.2170 -34.1183 -34.1183 -34.1132 -34.1132 -25.5125 -25.5125 -25.4863 -25.4863 -25.3780 -25.3780 -25.3739 -25.3739 -5.9874 -5.9874 -5.7425 -5.7425 -5.4882 -5.4882 -5.4021 -5.4021 -5.3402 -5.3402 -5.1702 -5.1702 -3.6349 -3.6349 -3.4421 -3.4421 -3.1515 -3.1515 -3.0372 -3.0372 1.8248 1.8248 1.9197 1.9197 2.0080 2.0080 2.0744 2.0744 2.4335 2.4335 2.5187 2.5187 2.9404 2.9404 3.3055 3.3055 3.4887 3.4887 3.6038 3.6038 3.7396 3.7396 3.8373 3.8373 3.9161 3.9161 4.0756 4.0756 4.4171 4.4171 4.6810 4.6810 4.9244 4.9244 5.0082 5.0082 5.1514 5.1514 5.3038 5.3038 5.4750 5.4750 5.6745 5.6745 5.8015 5.8015 5.8980 5.8980 5.9770 5.9770 6.2443 6.2443 7.7689 7.7689 7.8955 7.8955 8.1282 8.1282 8.3846 8.3846 8.5086 8.5086 8.7585 8.7585 9.2153 9.2153 9.3262 9.3262 9.5188 9.5188 k =-0.4286-0.4600 0.0443 ( 12698 PWs) bands (ev): -61.2184 -61.2184 -61.2168 -61.2168 -34.1189 -34.1189 -34.1126 -34.1126 -25.5157 -25.5157 -25.4833 -25.4833 -25.3784 -25.3784 -25.3733 -25.3733 -6.0196 -6.0196 -5.7159 -5.7159 -5.4924 -5.4924 -5.4046 -5.4046 -5.3349 -5.3349 -5.1546 -5.1546 -3.6415 -3.6415 -3.4399 -3.4399 -3.1487 -3.1487 -3.0398 -3.0398 1.8185 1.8185 1.9323 1.9323 1.9950 1.9950 2.0817 2.0817 2.4148 2.4148 2.5176 2.5176 2.8876 2.8876 3.2722 3.2722 3.5261 3.5261 3.6236 3.6236 3.7495 3.7495 3.8419 3.8419 3.9203 3.9203 4.0977 4.0977 4.4102 4.4102 4.6933 4.6933 4.9167 4.9167 5.0104 5.0104 5.1597 5.1597 5.3126 5.3126 5.4480 5.4480 5.6703 5.6703 5.8076 5.8076 5.8945 5.8945 5.9713 5.9713 6.2732 6.2732 7.7348 7.7348 7.8974 7.8974 8.1263 8.1263 8.3970 8.3970 8.4993 8.4993 8.8007 8.8007 9.2046 9.2046 9.3339 9.3339 9.5143 9.5143 k =-0.4143-0.4447 0.0429 ( 12699 PWs) bands (ev): -61.2185 -61.2185 -61.2167 -61.2167 -34.1195 -34.1195 -34.1120 -34.1120 -25.5189 -25.5189 -25.4803 -25.4803 -25.3787 -25.3787 -25.3727 -25.3727 -6.0525 -6.0525 -5.6897 -5.6897 -5.4969 -5.4969 -5.4066 -5.4066 -5.3283 -5.3283 -5.1379 -5.1379 -3.6487 -3.6487 -3.4380 -3.4380 -3.1453 -3.1453 -3.0428 -3.0428 1.8122 1.8122 1.9337 1.9337 1.9903 1.9903 2.0909 2.0909 2.3938 2.3938 2.5132 2.5132 2.8428 2.8428 3.2359 3.2359 3.5336 3.5336 3.6558 3.6558 3.7650 3.7650 3.8469 3.8469 3.9343 3.9343 4.1177 4.1177 4.4130 4.4130 4.6983 4.6983 4.9094 4.9094 5.0110 5.0110 5.1708 5.1708 5.3219 5.3219 5.4250 5.4250 5.6560 5.6560 5.8151 5.8151 5.8871 5.8871 5.9787 5.9787 6.2990 6.2990 7.6951 7.6951 7.9004 7.9004 8.1258 8.1258 8.4094 8.4094 8.4925 8.4925 8.8451 8.8451 9.1954 9.1954 9.3401 9.3401 9.5104 9.5104 k =-0.4000-0.4294 0.0414 ( 12698 PWs) bands (ev): -61.2187 -61.2187 -61.2165 -61.2165 -34.1201 -34.1201 -34.1114 -34.1114 -25.5220 -25.5220 -25.4774 -25.4774 -25.3790 -25.3790 -25.3721 -25.3721 -6.0858 -6.0858 -5.6641 -5.6641 -5.5014 -5.5014 -5.4077 -5.4077 -5.3205 -5.3205 -5.1205 -5.1205 -3.6561 -3.6561 -3.4365 -3.4365 -3.1416 -3.1416 -3.0462 -3.0462 1.8049 1.8049 1.9181 1.9181 2.0003 2.0003 2.1024 2.1024 2.3695 2.3695 2.5054 2.5054 2.8082 2.8082 3.1987 3.1987 3.5223 3.5223 3.6760 3.6760 3.7909 3.7909 3.8571 3.8571 3.9586 3.9586 4.1362 4.1362 4.4246 4.4246 4.6978 4.6978 4.9027 4.9027 5.0084 5.0084 5.1822 5.1822 5.3321 5.3321 5.4089 5.4089 5.6338 5.6338 5.8228 5.8228 5.8805 5.8805 5.9938 5.9938 6.3217 6.3217 7.6515 7.6515 7.9040 7.9040 8.1267 8.1267 8.4205 8.4205 8.4893 8.4893 8.8904 8.8904 9.1880 9.1880 9.3450 9.3450 9.5072 9.5072 k =-0.3857-0.4140 0.0399 ( 12690 PWs) bands (ev): -61.2188 -61.2188 -61.2164 -61.2164 -34.1207 -34.1207 -34.1108 -34.1108 -25.5251 -25.5251 -25.4745 -25.4745 -25.3793 -25.3793 -25.3715 -25.3715 -6.1195 -6.1195 -5.6392 -5.6392 -5.5055 -5.5055 -5.4081 -5.4081 -5.3114 -5.3114 -5.1030 -5.1030 -3.6633 -3.6633 -3.4357 -3.4357 -3.1378 -3.1378 -3.0499 -3.0499 1.7948 1.7948 1.8948 1.8948 2.0170 2.0170 2.1165 2.1165 2.3402 2.3402 2.4959 2.4959 2.7846 2.7846 3.1618 3.1618 3.5023 3.5023 3.6763 3.6763 3.8115 3.8115 3.8829 3.8829 3.9945 3.9945 4.1550 4.1550 4.4425 4.4425 4.6944 4.6944 4.8969 4.8969 5.0018 5.0018 5.1902 5.1902 5.3427 5.3427 5.4023 5.4023 5.6067 5.6067 5.8293 5.8293 5.8772 5.8772 6.0127 6.0127 6.3412 6.3412 7.6051 7.6051 7.9076 7.9076 8.1286 8.1286 8.4294 8.4294 8.4907 8.4907 8.9354 8.9354 9.1825 9.1825 9.3488 9.3488 9.5050 9.5050 k =-0.3714-0.3987 0.0384 ( 12694 PWs) bands (ev): -61.2190 -61.2190 -61.2163 -61.2163 -34.1213 -34.1213 -34.1103 -34.1103 -25.5282 -25.5282 -25.4717 -25.4717 -25.3795 -25.3795 -25.3709 -25.3709 -6.1533 -6.1533 -5.6153 -5.6153 -5.5087 -5.5087 -5.4077 -5.4077 -5.3012 -5.3012 -5.0859 -5.0859 -3.6702 -3.6702 -3.4355 -3.4355 -3.1339 -3.1339 -3.0539 -3.0539 1.7788 1.7788 1.8716 1.8716 2.0351 2.0351 2.1327 2.1327 2.3059 2.3059 2.4874 2.4874 2.7705 2.7705 3.1260 3.1260 3.4776 3.4776 3.6650 3.6650 3.8185 3.8185 3.9177 3.9177 4.0435 4.0435 4.1761 4.1761 4.4636 4.4636 4.6905 4.6905 4.8920 4.8920 4.9912 4.9912 5.1928 5.1928 5.3517 5.3517 5.4069 5.4069 5.5784 5.5784 5.8334 5.8334 5.8783 5.8783 6.0336 6.0336 6.3576 6.3576 7.5568 7.5568 7.9110 7.9110 8.1307 8.1307 8.4366 8.4366 8.4966 8.4966 8.9790 8.9790 9.1793 9.1793 9.3519 9.3519 9.5042 9.5042 k =-0.3571-0.3834 0.0369 ( 12694 PWs) bands (ev): -61.2191 -61.2191 -61.2161 -61.2161 -34.1219 -34.1219 -34.1097 -34.1097 -25.5313 -25.5313 -25.4690 -25.4690 -25.3797 -25.3797 -25.3703 -25.3703 -6.1871 -6.1871 -5.5928 -5.5928 -5.5103 -5.5103 -5.4067 -5.4067 -5.2900 -5.2900 -5.0694 -5.0694 -3.6766 -3.6766 -3.4361 -3.4361 -3.1304 -3.1304 -3.0580 -3.0580 1.7542 1.7542 1.8527 1.8527 2.0521 2.0521 2.1483 2.1483 2.2707 2.2707 2.4817 2.4817 2.7628 2.7628 3.0921 3.0921 3.4502 3.4502 3.6471 3.6471 3.8206 3.8206 3.9484 3.9484 4.1000 4.1000 4.2028 4.2028 4.4849 4.4849 4.6882 4.6882 4.8875 4.8875 4.9778 4.9778 5.1914 5.1914 5.3578 5.3578 5.4188 5.4188 5.5539 5.5539 5.8345 5.8345 5.8840 5.8840 6.0554 6.0554 6.3712 6.3712 7.5076 7.5076 7.9139 7.9139 8.1323 8.1323 8.4428 8.4428 8.5066 8.5066 9.0204 9.0204 9.1783 9.1783 9.3546 9.3546 9.5051 9.5051 k =-0.3429-0.3680 0.0355 ( 12699 PWs) bands (ev): -61.2192 -61.2192 -61.2160 -61.2160 -34.1224 -34.1224 -34.1091 -34.1091 -25.5342 -25.5342 -25.4664 -25.4664 -25.3798 -25.3798 -25.3697 -25.3697 -6.2208 -6.2208 -5.5729 -5.5729 -5.5092 -5.5092 -5.4050 -5.4050 -5.2776 -5.2776 -5.0537 -5.0537 -3.6822 -3.6822 -3.4374 -3.4374 -3.1274 -3.1274 -3.0620 -3.0620 1.7213 1.7213 1.8380 1.8380 2.0649 2.0649 2.1552 2.1552 2.2479 2.2479 2.4795 2.4795 2.7583 2.7583 3.0611 3.0611 3.4218 3.4218 3.6248 3.6248 3.8221 3.8221 3.9736 3.9736 4.1516 4.1516 4.2411 4.2411 4.5039 4.5039 4.6889 4.6889 4.8823 4.8823 4.9644 4.9644 5.1886 5.1886 5.3610 5.3610 5.4279 5.4279 5.5402 5.5402 5.8334 5.8334 5.8929 5.8929 6.0777 6.0777 6.3823 6.3823 7.4579 7.4579 7.9161 7.9161 8.1329 8.1329 8.4478 8.4478 8.5206 8.5206 9.0590 9.0590 9.1795 9.1795 9.3573 9.3573 9.5080 9.5080 k =-0.3286-0.3527 0.0340 ( 12689 PWs) bands (ev): -61.2194 -61.2194 -61.2159 -61.2159 -34.1230 -34.1230 -34.1086 -34.1086 -25.5371 -25.5371 -25.4639 -25.4639 -25.3799 -25.3799 -25.3691 -25.3691 -6.2543 -6.2543 -5.5575 -5.5575 -5.5034 -5.5034 -5.4028 -5.4028 -5.2642 -5.2642 -5.0392 -5.0392 -3.6869 -3.6869 -3.4393 -3.4393 -3.1254 -3.1254 -3.0657 -3.0657 1.6829 1.6829 1.8241 1.8241 2.0657 2.0657 2.1495 2.1495 2.2526 2.2526 2.4803 2.4803 2.7539 2.7539 3.0340 3.0340 3.3936 3.3936 3.5996 3.5996 3.8244 3.8244 3.9950 3.9950 4.1903 4.1903 4.2926 4.2926 4.5195 4.5195 4.6929 4.6929 4.8734 4.8734 4.9558 4.9558 5.1867 5.1867 5.3601 5.3601 5.4276 5.4276 5.5431 5.5431 5.8312 5.8312 5.9039 5.9039 6.1002 6.1002 6.3912 6.3912 7.4084 7.4084 7.9175 7.9175 8.1322 8.1322 8.4508 8.4508 8.5394 8.5394 9.0937 9.0937 9.1833 9.1833 9.3605 9.3605 9.5131 9.5131 k =-0.3143-0.3374 0.0325 ( 12697 PWs) bands (ev): -61.2195 -61.2195 -61.2157 -61.2157 -34.1235 -34.1235 -34.1081 -34.1081 -25.5400 -25.5400 -25.4616 -25.4616 -25.3799 -25.3799 -25.3685 -25.3685 -6.2873 -6.2873 -5.5480 -5.5480 -5.4915 -5.4915 -5.4001 -5.4001 -5.2499 -5.2499 -5.0259 -5.0259 -3.6908 -3.6908 -3.4418 -3.4418 -3.1247 -3.1247 -3.0688 -3.0688 1.6415 1.6415 1.8067 1.8067 2.0461 2.0461 2.1519 2.1519 2.2756 2.2756 2.4832 2.4832 2.7472 2.7472 3.0116 3.0116 3.3668 3.3668 3.5727 3.5727 3.8281 3.8281 4.0134 4.0134 4.2204 4.2204 4.3469 4.3469 4.5324 4.5324 4.6998 4.6998 4.8587 4.8587 4.9568 4.9568 5.1868 5.1868 5.3522 5.3522 5.4243 5.4243 5.5576 5.5576 5.8287 5.8287 5.9159 5.9159 6.1232 6.1232 6.3980 6.3980 7.3595 7.3595 7.9180 7.9180 8.1305 8.1305 8.4509 8.4509 8.5631 8.5631 9.1229 9.1229 9.1907 9.1907 9.3647 9.3647 9.5200 9.5200 k =-0.3000-0.3220 0.0310 ( 12695 PWs) bands (ev): -61.2196 -61.2196 -61.2156 -61.2156 -34.1240 -34.1240 -34.1076 -34.1076 -25.5427 -25.5427 -25.4593 -25.4593 -25.3799 -25.3799 -25.3680 -25.3680 -6.3198 -6.3198 -5.5432 -5.5432 -5.4749 -5.4749 -5.3969 -5.3969 -5.2346 -5.2346 -5.0140 -5.0140 -3.6936 -3.6936 -3.4447 -3.4447 -3.1256 -3.1256 -3.0711 -3.0711 1.5987 1.5987 1.7817 1.7817 2.0177 2.0177 2.1664 2.1664 2.3054 2.3054 2.4876 2.4876 2.7372 2.7372 2.9942 2.9942 3.3419 3.3419 3.5455 3.5455 3.8335 3.8335 4.0293 4.0293 4.2471 4.2471 4.3927 4.3927 4.5443 4.5443 4.7092 4.7092 4.8396 4.8396 4.9681 4.9681 5.1895 5.1895 5.3378 5.3378 5.4253 5.4253 5.5756 5.5756 5.8263 5.8263 5.9285 5.9285 6.1467 6.1467 6.4029 6.4029 7.3117 7.3117 7.9176 7.9176 8.1279 8.1279 8.4483 8.4483 8.5910 8.5910 9.1447 9.1447 9.2037 9.2037 9.3703 9.3703 9.5281 9.5281 k =-0.2857-0.3067 0.0296 ( 12693 PWs) bands (ev): -61.2197 -61.2197 -61.2155 -61.2155 -34.1245 -34.1245 -34.1071 -34.1071 -25.5454 -25.5454 -25.4572 -25.4572 -25.3798 -25.3798 -25.3674 -25.3674 -6.3516 -6.3516 -5.5405 -5.5405 -5.4561 -5.4561 -5.3934 -5.3934 -5.2185 -5.2185 -5.0034 -5.0034 -3.6953 -3.6953 -3.4479 -3.4479 -3.1283 -3.1283 -3.0727 -3.0727 1.5555 1.5555 1.7463 1.7463 1.9936 1.9936 2.1865 2.1865 2.3372 2.3372 2.4932 2.4932 2.7235 2.7235 2.9816 2.9816 3.3191 3.3191 3.5194 3.5194 3.8405 3.8405 4.0429 4.0429 4.2719 4.2719 4.4238 4.4238 4.5557 4.5557 4.7210 4.7210 4.8197 4.8197 4.9878 4.9878 5.1947 5.1947 5.3220 5.3220 5.4308 5.4308 5.5929 5.5929 5.8242 5.8242 5.9411 5.9411 6.1709 6.1709 6.4060 6.4060 7.2653 7.2653 7.9163 7.9163 8.1248 8.1248 8.4433 8.4433 8.6221 8.6221 9.1584 9.1584 9.2225 9.2225 9.3774 9.3774 9.5361 9.5361 k =-0.2714-0.2914 0.0281 ( 12694 PWs) bands (ev): -61.2199 -61.2199 -61.2154 -61.2154 -34.1250 -34.1250 -34.1066 -34.1066 -25.5480 -25.5480 -25.4552 -25.4552 -25.3797 -25.3797 -25.3669 -25.3669 -6.3826 -6.3826 -5.5385 -5.5385 -5.4366 -5.4366 -5.3895 -5.3895 -5.2016 -5.2016 -4.9942 -4.9942 -3.6961 -3.6961 -3.4513 -3.4513 -3.1326 -3.1326 -3.0735 -3.0735 1.5126 1.5126 1.7007 1.7007 1.9781 1.9781 2.2095 2.2095 2.3682 2.3682 2.4997 2.4997 2.7074 2.7074 2.9734 2.9734 3.2977 3.2977 3.4966 3.4966 3.8490 3.8490 4.0545 4.0545 4.2942 4.2942 4.4402 4.4402 4.5645 4.5645 4.7338 4.7338 4.8019 4.8019 5.0141 5.0141 5.2015 5.2015 5.3102 5.3102 5.4389 5.4389 5.6083 5.6083 5.8224 5.8224 5.9536 5.9536 6.1955 6.1955 6.4074 6.4074 7.2209 7.2209 7.9143 7.9143 8.1214 8.1214 8.4364 8.4364 8.6552 8.6552 9.1673 9.1673 9.2443 9.2443 9.3859 9.3859 9.5387 9.5387 k =-0.2571-0.2760 0.0266 ( 12696 PWs) bands (ev): -61.2200 -61.2200 -61.2152 -61.2152 -34.1254 -34.1254 -34.1062 -34.1062 -25.5504 -25.5504 -25.4533 -25.4533 -25.3795 -25.3795 -25.3663 -25.3663 -6.4126 -6.4126 -5.5366 -5.5366 -5.4174 -5.4174 -5.3853 -5.3853 -5.1841 -5.1841 -4.9864 -4.9864 -3.6959 -3.6959 -3.4549 -3.4549 -3.1383 -3.1383 -3.0740 -3.0740 1.4703 1.4703 1.6477 1.6477 1.9702 1.9702 2.2344 2.2344 2.3959 2.3959 2.5074 2.5074 2.6904 2.6904 2.9690 2.9690 3.2763 3.2763 3.4791 3.4791 3.8589 3.8589 4.0643 4.0643 4.3118 4.3118 4.4469 4.4469 4.5689 4.5689 4.7431 4.7431 4.7891 4.7891 5.0454 5.0454 5.2090 5.2090 5.3065 5.3065 5.4484 5.4484 5.6218 5.6218 5.8208 5.8208 5.9662 5.9662 6.2200 6.2200 6.4069 6.4069 7.1789 7.1789 7.9117 7.9117 8.1181 8.1181 8.4280 8.4280 8.6894 8.6894 9.1742 9.1742 9.2663 9.2663 9.3952 9.3952 9.5276 9.5276 k =-0.2429-0.2607 0.0251 ( 12704 PWs) bands (ev): -61.2201 -61.2201 -61.2151 -61.2151 -34.1259 -34.1259 -34.1057 -34.1057 -25.5528 -25.5528 -25.4516 -25.4516 -25.3793 -25.3793 -25.3658 -25.3658 -6.4417 -6.4417 -5.5345 -5.5345 -5.3990 -5.3990 -5.3804 -5.3804 -5.1662 -5.1662 -4.9799 -4.9799 -3.6947 -3.6947 -3.4585 -3.4585 -3.1451 -3.1451 -3.0743 -3.0743 1.4291 1.4291 1.5903 1.5903 1.9678 1.9678 2.2604 2.2604 2.4178 2.4178 2.5166 2.5166 2.6746 2.6746 2.9686 2.9686 3.2536 3.2536 3.4687 3.4687 3.8700 3.8700 4.0725 4.0725 4.3224 4.3224 4.4477 4.4477 4.5716 4.5716 4.7422 4.7422 4.7844 4.7844 5.0782 5.0782 5.2166 5.2166 5.3131 5.3131 5.4585 5.4585 5.6342 5.6342 5.8191 5.8191 5.9791 5.9791 6.2438 6.2438 6.4046 6.4046 7.1400 7.1400 7.9086 7.9086 8.1151 8.1151 8.4185 8.4185 8.7240 8.7240 9.1807 9.1807 9.2867 9.2867 9.4040 9.4040 9.5094 9.5094 k =-0.2286-0.2454 0.0236 ( 12706 PWs) bands (ev): -61.2202 -61.2202 -61.2150 -61.2150 -34.1263 -34.1263 -34.1053 -34.1053 -25.5551 -25.5551 -25.4499 -25.4499 -25.3790 -25.3790 -25.3654 -25.3654 -6.4695 -6.4695 -5.5323 -5.5323 -5.3833 -5.3833 -5.3733 -5.3733 -5.1479 -5.1479 -4.9747 -4.9747 -3.6926 -3.6926 -3.4619 -3.4619 -3.1528 -3.1528 -3.0748 -3.0748 1.3892 1.3892 1.5310 1.5310 1.9691 1.9691 2.2867 2.2867 2.4322 2.4322 2.5266 2.5266 2.6621 2.6621 2.9728 2.9728 3.2286 3.2286 3.4661 3.4661 3.8817 3.8817 4.0790 4.0790 4.3244 4.3244 4.4440 4.4440 4.5765 4.5765 4.7320 4.7320 4.7857 4.7857 5.1085 5.1085 5.2254 5.2254 5.3301 5.3301 5.4687 5.4687 5.6464 5.6464 5.8171 5.8171 5.9927 5.9927 6.2660 6.2660 6.4005 6.4005 7.1049 7.1049 7.9053 7.9053 8.1126 8.1126 8.4080 8.4080 8.7584 8.7584 9.1875 9.1875 9.3042 9.3042 9.4094 9.4094 9.4936 9.4936 k =-0.2143-0.2300 0.0222 ( 12703 PWs) bands (ev): -61.2203 -61.2203 -61.2149 -61.2149 -34.1267 -34.1267 -34.1049 -34.1049 -25.5572 -25.5572 -25.4484 -25.4484 -25.3787 -25.3787 -25.3649 -25.3649 -6.4962 -6.4962 -5.5298 -5.5298 -5.3749 -5.3749 -5.3596 -5.3596 -5.1295 -5.1295 -4.9705 -4.9705 -3.6898 -3.6898 -3.4652 -3.4652 -3.1611 -3.1611 -3.0756 -3.0756 1.3507 1.3507 1.4714 1.4714 1.9729 1.9729 2.3124 2.3124 2.4397 2.4397 2.5354 2.5354 2.6546 2.6546 2.9821 2.9821 3.2018 3.2018 3.4707 3.4707 3.8938 3.8938 4.0839 4.0839 4.3183 4.3183 4.4361 4.4361 4.5846 4.5846 4.7178 4.7178 4.7894 4.7894 5.1325 5.1325 5.2372 5.2372 5.3546 5.3546 5.4793 5.4793 5.6587 5.6587 5.8146 5.8146 6.0072 6.0072 6.2857 6.2857 6.3945 6.3945 7.0745 7.0745 7.9022 7.9022 8.1108 8.1108 8.3969 8.3969 8.7923 8.7923 9.1948 9.1948 9.3163 9.3163 9.4082 9.4082 9.4875 9.4875 k =-0.2000-0.2147 0.0207 ( 12712 PWs) bands (ev): -61.2204 -61.2204 -61.2148 -61.2148 -34.1271 -34.1271 -34.1045 -34.1045 -25.5593 -25.5593 -25.4471 -25.4471 -25.3784 -25.3784 -25.3645 -25.3645 -6.5215 -6.5215 -5.5270 -5.5270 -5.3695 -5.3695 -5.3435 -5.3435 -5.1111 -5.1111 -4.9674 -4.9674 -3.6863 -3.6863 -3.4681 -3.4681 -3.1701 -3.1701 -3.0768 -3.0768 1.3139 1.3139 1.4126 1.4126 1.9785 1.9785 2.3357 2.3357 2.4426 2.4426 2.5413 2.5413 2.6526 2.6526 2.9963 2.9963 3.1750 3.1750 3.4815 3.4815 3.9055 3.9055 4.0869 4.0869 4.3058 4.3058 4.4258 4.4258 4.5915 4.5915 4.7037 4.7037 4.7961 4.7961 5.1497 5.1497 5.2520 5.2520 5.3829 5.3829 5.4908 5.4908 5.6710 5.6710 5.8118 5.8118 6.0223 6.0223 6.3016 6.3016 6.3873 6.3873 7.0495 7.0495 7.8996 7.8996 8.1099 8.1099 8.3850 8.3850 8.8255 8.8255 9.2026 9.2026 9.3187 9.3187 9.4043 9.4043 9.4925 9.4925 k =-0.1857-0.1994 0.0192 ( 12704 PWs) bands (ev): -61.2205 -61.2205 -61.2148 -61.2148 -34.1275 -34.1275 -34.1042 -34.1042 -25.5612 -25.5612 -25.4458 -25.4458 -25.3780 -25.3780 -25.3640 -25.3640 -6.5454 -6.5454 -5.5242 -5.5242 -5.3646 -5.3646 -5.3278 -5.3278 -5.0929 -5.0929 -4.9652 -4.9652 -3.6822 -3.6822 -3.4707 -3.4707 -3.1794 -3.1794 -3.0784 -3.0784 1.2789 1.2789 1.3556 1.3556 1.9853 1.9853 2.3540 2.3540 2.4438 2.4438 2.5452 2.5452 2.6549 2.6549 3.0125 3.0125 3.1523 3.1523 3.4969 3.4969 3.9160 3.9160 4.0881 4.0881 4.2886 4.2886 4.4155 4.4155 4.5901 4.5901 4.6933 4.6933 4.8085 4.8085 5.1623 5.1623 5.2681 5.2681 5.4098 5.4098 5.5048 5.5048 5.6824 5.6824 5.8094 5.8094 6.0377 6.0377 6.3117 6.3117 6.3804 6.3804 7.0310 7.0310 7.8982 7.8982 8.1101 8.1101 8.3727 8.3727 8.8577 8.8577 9.2098 9.2098 9.3087 9.3087 9.4061 9.4061 9.5039 9.5039 k =-0.1714-0.1840 0.0177 ( 12708 PWs) bands (ev): -61.2206 -61.2206 -61.2147 -61.2147 -34.1278 -34.1278 -34.1039 -34.1039 -25.5630 -25.5630 -25.4447 -25.4447 -25.3776 -25.3776 -25.3636 -25.3636 -6.5678 -6.5678 -5.5212 -5.5212 -5.3599 -5.3599 -5.3129 -5.3129 -5.0752 -5.0752 -4.9637 -4.9637 -3.6778 -3.6778 -3.4727 -3.4727 -3.1890 -3.1890 -3.0803 -3.0803 1.2455 1.2455 1.3011 1.3011 1.9930 1.9930 2.3646 2.3646 2.4458 2.4458 2.5495 2.5495 2.6600 2.6600 3.0221 3.0221 3.1423 3.1423 3.5155 3.5155 3.9244 3.9244 4.0878 4.0878 4.2679 4.2679 4.4072 4.4072 4.5769 4.5769 4.6877 4.6877 4.8283 4.8283 5.1728 5.1728 5.2843 5.2843 5.4310 5.4310 5.5229 5.5229 5.6921 5.6921 5.8081 5.8081 6.0521 6.0521 6.3127 6.3127 6.3767 6.3767 7.0199 7.0199 7.8983 7.8983 8.1113 8.1113 8.3599 8.3599 8.8888 8.8888 9.2144 9.2144 9.2922 9.2922 9.4141 9.4141 9.5177 9.5177 k =-0.1571-0.1687 0.0163 ( 12712 PWs) bands (ev): -61.2206 -61.2206 -61.2146 -61.2146 -34.1281 -34.1281 -34.1036 -34.1036 -25.5646 -25.5646 -25.4437 -25.4437 -25.3773 -25.3773 -25.3633 -25.3633 -6.5887 -6.5887 -5.5182 -5.5182 -5.3554 -5.3554 -5.2990 -5.2990 -5.0581 -5.0581 -4.9629 -4.9629 -3.6731 -3.6731 -3.4742 -3.4742 -3.1988 -3.1988 -3.0826 -3.0826 1.2136 1.2136 1.2500 1.2500 2.0013 2.0013 2.3670 2.3670 2.4483 2.4483 2.5562 2.5562 2.6679 2.6679 3.0149 3.0149 3.1549 3.1549 3.5363 3.5363 3.9293 3.9293 4.0867 4.0867 4.2447 4.2447 4.4020 4.4020 4.5546 4.5546 4.6843 4.6843 4.8550 4.8550 5.1830 5.1830 5.2999 5.2999 5.4454 5.4454 5.5443 5.5443 5.6988 5.6988 5.8089 5.8089 6.0645 6.0645 6.3025 6.3025 6.3782 6.3782 7.0165 7.0165 7.9003 7.9003 8.1135 8.1135 8.3471 8.3471 8.9184 8.9184 9.2114 9.2114 9.2794 9.2794 9.4249 9.4249 9.5316 9.5316 k =-0.1429-0.1533 0.0148 ( 12704 PWs) bands (ev): -61.2207 -61.2207 -61.2145 -61.2145 -34.1284 -34.1284 -34.1033 -34.1033 -25.5662 -25.5662 -25.4428 -25.4428 -25.3769 -25.3769 -25.3629 -25.3629 -6.6080 -6.6080 -5.5152 -5.5152 -5.3509 -5.3509 -5.2861 -5.2861 -5.0419 -5.0419 -4.9625 -4.9625 -3.6683 -3.6683 -3.4751 -3.4751 -3.2087 -3.2087 -3.0851 -3.0851 1.1815 1.1815 1.2045 1.2045 2.0100 2.0100 2.3635 2.3635 2.4494 2.4494 2.5651 2.5651 2.6795 2.6795 2.9936 2.9936 3.1861 3.1861 3.5584 3.5584 3.9298 3.9298 4.0856 4.0856 4.2199 4.2199 4.3998 4.3998 4.5276 4.5276 4.6811 4.6811 4.8863 4.8863 5.1940 5.1940 5.3149 5.3149 5.4546 5.4546 5.5657 5.5657 5.7019 5.7019 5.8126 5.8126 6.0739 6.0739 6.2834 6.2834 6.3831 6.3831 7.0208 7.0208 7.9045 7.9045 8.1163 8.1163 8.3346 8.3346 8.9462 8.9462 9.1966 9.1966 9.2773 9.2773 9.4369 9.4369 9.5442 9.5442 k =-0.1286-0.1380 0.0133 ( 12703 PWs) bands (ev): -61.2208 -61.2208 -61.2145 -61.2145 -34.1286 -34.1286 -34.1030 -34.1030 -25.5675 -25.5675 -25.4420 -25.4420 -25.3765 -25.3765 -25.3626 -25.3626 -6.6255 -6.6255 -5.5123 -5.5123 -5.3467 -5.3467 -5.2744 -5.2744 -5.0267 -5.0267 -4.9624 -4.9624 -3.6635 -3.6635 -3.4754 -3.4754 -3.2185 -3.2185 -3.0879 -3.0879 1.1452 1.1452 1.1691 1.1691 2.0188 2.0188 2.3570 2.3570 2.4482 2.4482 2.5739 2.5739 2.6962 2.6962 2.9666 2.9666 3.2267 3.2267 3.5808 3.5808 3.9254 3.9254 4.0851 4.0851 4.1944 4.1944 4.3998 4.3998 4.4993 4.4993 4.6775 4.6775 4.9197 4.9197 5.2061 5.2061 5.3291 5.3291 5.4609 5.4609 5.5844 5.5844 5.7015 5.7015 5.8194 5.8194 6.0794 6.0794 6.2581 6.2581 6.3890 6.3890 7.0323 7.0323 7.9112 7.9112 8.1194 8.1194 8.3230 8.3230 8.9717 8.9717 9.1746 9.1746 9.2830 9.2830 9.4490 9.4490 9.5546 9.5546 k =-0.1143-0.1227 0.0118 ( 12695 PWs) bands (ev): -61.2208 -61.2208 -61.2144 -61.2144 -34.1289 -34.1289 -34.1028 -34.1028 -25.5688 -25.5688 -25.4413 -25.4413 -25.3761 -25.3761 -25.3623 -25.3623 -6.6414 -6.6414 -5.5095 -5.5095 -5.3426 -5.3426 -5.2638 -5.2638 -5.0126 -5.0126 -4.9625 -4.9625 -3.6589 -3.6589 -3.4751 -3.4751 -3.2282 -3.2282 -3.0907 -3.0907 1.1064 1.1064 1.1425 1.1425 2.0275 2.0275 2.3495 2.3495 2.4450 2.4450 2.5808 2.5808 2.7181 2.7181 2.9383 2.9383 3.2714 3.2714 3.6026 3.6026 3.9165 3.9165 4.0852 4.0852 4.1690 4.1690 4.3993 4.3993 4.4736 4.4736 4.6741 4.6741 4.9530 4.9530 5.2197 5.2197 5.3427 5.3427 5.4657 5.4657 5.5990 5.5990 5.6983 5.6983 5.8288 5.8288 6.0809 6.0809 6.2289 6.2289 6.3949 6.3949 7.0496 7.0496 7.9203 7.9203 8.1222 8.1222 8.3128 8.3128 8.9944 8.9944 9.1508 9.1508 9.2919 9.2919 9.4612 9.4612 9.5622 9.5622 k =-0.1000-0.1073 0.0103 ( 12680 PWs) bands (ev): -61.2209 -61.2209 -61.2143 -61.2143 -34.1290 -34.1290 -34.1026 -34.1026 -25.5699 -25.5699 -25.4407 -25.4407 -25.3758 -25.3758 -25.3621 -25.3621 -6.6555 -6.6555 -5.5069 -5.5069 -5.3389 -5.3389 -5.2545 -5.2545 -4.9999 -4.9999 -4.9627 -4.9627 -3.6547 -3.6547 -3.4741 -3.4741 -3.2375 -3.2375 -3.0934 -3.0934 1.0699 1.0699 1.1204 1.1204 2.0359 2.0359 2.3421 2.3421 2.4407 2.4407 2.5854 2.5854 2.7435 2.7435 2.9109 2.9109 3.3174 3.3174 3.6227 3.6227 3.9045 3.9045 4.0852 4.0852 4.1450 4.1450 4.3928 4.3928 4.4559 4.4559 4.6712 4.6712 4.9846 4.9846 5.2348 5.2348 5.3555 5.3555 5.4699 5.4699 5.6092 5.6092 5.6933 5.6933 5.8399 5.8399 6.0787 6.0787 6.1970 6.1970 6.4004 6.4004 7.0707 7.0707 7.9316 7.9316 8.1239 8.1239 8.3048 8.3048 9.0138 9.0138 9.1279 9.1279 9.3018 9.3018 9.4730 9.4730 9.5666 9.5666 k =-0.0857-0.0920 0.0089 ( 12685 PWs) bands (ev): -61.2209 -61.2209 -61.2143 -61.2143 -34.1292 -34.1292 -34.1024 -34.1024 -25.5708 -25.5708 -25.4402 -25.4402 -25.3755 -25.3755 -25.3618 -25.3618 -6.6678 -6.6678 -5.5046 -5.5046 -5.3355 -5.3355 -5.2464 -5.2464 -4.9888 -4.9888 -4.9629 -4.9629 -3.6508 -3.6508 -3.4727 -3.4727 -3.2463 -3.2463 -3.0961 -3.0961 1.0372 1.0372 1.1014 1.1014 2.0437 2.0437 2.3352 2.3352 2.4360 2.4360 2.5886 2.5886 2.7693 2.7693 2.8863 2.8863 3.3630 3.3630 3.6396 3.6396 3.8915 3.8915 4.0835 4.0835 4.1239 4.1239 4.3761 4.3761 4.4507 4.4507 4.6694 4.6694 5.0130 5.0130 5.2509 5.2509 5.3673 5.3673 5.4737 5.4737 5.6158 5.6158 5.6874 5.6874 5.8515 5.8515 6.0734 6.0734 6.1642 6.1642 6.4056 6.4056 7.0937 7.0937 7.9448 7.9448 8.1240 8.1240 8.2994 8.2994 9.0291 9.0291 9.1078 9.1078 9.3116 9.3116 9.4838 9.4838 9.5679 9.5679 k =-0.0714-0.0767 0.0074 ( 12684 PWs) bands (ev): -61.2210 -61.2210 -61.2143 -61.2143 -34.1294 -34.1294 -34.1022 -34.1022 -25.5717 -25.5717 -25.4398 -25.4398 -25.3752 -25.3752 -25.3617 -25.3617 -6.6782 -6.6782 -5.5026 -5.5026 -5.3324 -5.3324 -5.2396 -5.2396 -4.9794 -4.9794 -4.9628 -4.9628 -3.6475 -3.6475 -3.4709 -3.4709 -3.2544 -3.2544 -3.0985 -3.0985 1.0090 1.0090 1.0854 1.0854 2.0508 2.0508 2.3293 2.3293 2.4315 2.4315 2.5910 2.5910 2.7912 2.7912 2.8677 2.8677 3.4069 3.4069 3.6514 3.6514 3.8802 3.8802 4.0782 4.0782 4.1079 4.1079 4.3536 4.3536 4.4533 4.4533 4.6686 4.6686 5.0375 5.0375 5.2677 5.2677 5.3779 5.3779 5.4770 5.4770 5.6202 5.6202 5.6814 5.6814 5.8625 5.8625 6.0656 6.0656 6.1322 6.1322 6.4103 6.4103 7.1164 7.1164 7.9592 7.9592 8.1222 8.1222 8.2966 8.2966 9.0395 9.0395 9.0918 9.0918 9.3210 9.3210 9.4930 9.4930 9.5670 9.5670 k =-0.0571-0.0613 0.0059 ( 12684 PWs) bands (ev): -61.2210 -61.2210 -61.2142 -61.2142 -34.1295 -34.1295 -34.1021 -34.1021 -25.5723 -25.5723 -25.4395 -25.4395 -25.3749 -25.3749 -25.3615 -25.3615 -6.6868 -6.6868 -5.5009 -5.5009 -5.3298 -5.3298 -5.2340 -5.2340 -4.9725 -4.9725 -4.9619 -4.9619 -3.6447 -3.6447 -3.4689 -3.4689 -3.2615 -3.2615 -3.1007 -3.1007 0.9856 0.9856 1.0723 1.0723 2.0570 2.0570 2.3245 2.3245 2.4274 2.4274 2.5931 2.5931 2.8007 2.8007 2.8623 2.8623 3.4482 3.4482 3.6558 3.6558 3.8726 3.8726 4.0692 4.0692 4.0976 4.0976 4.3309 4.3309 4.4585 4.4585 4.6690 4.6690 5.0575 5.0575 5.2842 5.2842 5.3870 5.3870 5.4792 5.4792 5.6240 5.6240 5.6758 5.6758 5.8718 5.8718 6.0563 6.0563 6.1031 6.1031 6.4145 6.4145 7.1372 7.1372 7.9741 7.9741 8.1187 8.1187 8.2960 8.2960 9.0431 9.0431 9.0825 9.0825 9.3296 9.3296 9.4995 9.4995 9.5652 9.5652 k =-0.0429-0.0460 0.0044 ( 12679 PWs) bands (ev): -61.2210 -61.2210 -61.2142 -61.2142 -34.1296 -34.1296 -34.1020 -34.1020 -25.5729 -25.5729 -25.4392 -25.4392 -25.3747 -25.3747 -25.3614 -25.3614 -6.6935 -6.6935 -5.4995 -5.4995 -5.3278 -5.3278 -5.2298 -5.2298 -4.9687 -4.9687 -4.9595 -4.9595 -3.6425 -3.6425 -3.4670 -3.4670 -3.2674 -3.2674 -3.1024 -3.1024 0.9672 0.9672 1.0621 1.0621 2.0620 2.0620 2.3208 2.3208 2.4240 2.4240 2.5952 2.5952 2.7955 2.7955 2.8716 2.8716 3.4862 3.4862 3.6519 3.6519 3.8699 3.8699 4.0602 4.0602 4.0899 4.0899 4.3110 4.3110 4.4636 4.4636 4.6701 4.6701 5.0729 5.0729 5.2993 5.2993 5.3943 5.3943 5.4796 5.4796 5.6287 5.6287 5.6709 5.6709 5.8784 5.8784 6.0468 6.0468 6.0786 6.0786 6.4181 6.4181 7.1546 7.1546 7.9882 7.9882 8.1139 8.1139 8.2968 8.2968 9.0401 9.0401 9.0803 9.0803 9.3371 9.3371 9.5025 9.5025 9.5639 9.5639 k =-0.0286-0.0307 0.0030 ( 12683 PWs) bands (ev): -61.2210 -61.2210 -61.2142 -61.2142 -34.1297 -34.1297 -34.1019 -34.1019 -25.5733 -25.5733 -25.4390 -25.4390 -25.3746 -25.3746 -25.3613 -25.3613 -6.6983 -6.6983 -5.4985 -5.4985 -5.3262 -5.3262 -5.2267 -5.2267 -4.9673 -4.9673 -4.9564 -4.9564 -3.6409 -3.6409 -3.4655 -3.4655 -3.2719 -3.2719 -3.1037 -3.1037 0.9540 0.9540 1.0547 1.0547 2.0656 2.0656 2.3182 2.3182 2.4215 2.4215 2.5970 2.5970 2.7861 2.7861 2.8842 2.8842 3.5201 3.5201 3.6405 3.6405 3.8708 3.8708 4.0544 4.0544 4.0827 4.0827 4.2957 4.2957 4.4677 4.4677 4.6714 4.6714 5.0836 5.0836 5.3118 5.3118 5.3998 5.3998 5.4784 5.4784 5.6344 5.6344 5.6667 5.6667 5.8819 5.8819 6.0393 6.0393 6.0598 6.0598 6.4209 6.4209 7.1677 7.1677 8.0003 8.0003 8.1090 8.1090 8.2982 8.2982 9.0347 9.0347 9.0815 9.0815 9.3431 9.3431 9.5026 9.5026 9.5637 9.5637 k =-0.0143-0.0153 0.0015 ( 12687 PWs) bands (ev): -61.2210 -61.2210 -61.2142 -61.2142 -34.1298 -34.1298 -34.1019 -34.1019 -25.5735 -25.5735 -25.4389 -25.4389 -25.3745 -25.3745 -25.3613 -25.3613 -6.7012 -6.7012 -5.4979 -5.4979 -5.3253 -5.3253 -5.2249 -5.2249 -4.9669 -4.9669 -4.9541 -4.9541 -3.6400 -3.6400 -3.4644 -3.4644 -3.2746 -3.2746 -3.1045 -3.1045 0.9460 0.9460 1.0503 1.0503 2.0679 2.0679 2.3167 2.3167 2.4200 2.4200 2.5983 2.5983 2.7790 2.7790 2.8934 2.8934 3.5479 3.5479 3.6253 3.6253 3.8729 3.8729 4.0525 4.0525 4.0762 4.0762 4.2861 4.2861 4.4702 4.4702 4.6725 4.6725 5.0900 5.0900 5.3201 5.3201 5.4034 5.4034 5.4765 5.4765 5.6399 5.6399 5.6633 5.6633 5.8830 5.8830 6.0361 6.0361 6.0467 6.0467 6.4227 6.4227 7.1758 7.1758 8.0086 8.0086 8.1051 8.1051 8.2993 8.2993 9.0306 9.0306 9.0828 9.0828 9.3471 9.3471 9.5015 9.5015 9.5642 9.5642 k = 0.0000 0.0000 0.0000 ( 12695 PWs) bands (ev): -61.2210 -61.2210 -61.2142 -61.2142 -34.1298 -34.1298 -34.1019 -34.1019 -25.5736 -25.5736 -25.4389 -25.4389 -25.3745 -25.3745 -25.3613 -25.3613 -6.7022 -6.7022 -5.4977 -5.4977 -5.3250 -5.3250 -5.2243 -5.2243 -4.9668 -4.9668 -4.9533 -4.9533 -3.6397 -3.6397 -3.4640 -3.4640 -3.2756 -3.2756 -3.1048 -3.1048 0.9433 0.9433 1.0489 1.0489 2.0687 2.0687 2.3162 2.3162 2.4195 2.4195 2.5988 2.5988 2.7764 2.7764 2.8967 2.8967 3.5610 3.5610 3.6161 3.6161 3.8738 3.8738 4.0525 4.0525 4.0733 4.0733 4.2828 4.2828 4.4711 4.4711 4.6730 4.6730 5.0921 5.0921 5.3231 5.3231 5.4046 5.4046 5.4757 5.4757 5.6424 5.6424 5.6617 5.6617 5.8830 5.8830 6.0375 6.0375 6.0399 6.0399 6.4233 6.4233 7.1785 7.1785 8.0116 8.0116 8.1036 8.1036 8.2998 8.2998 9.0291 9.0291 9.0833 9.0833 9.3484 9.3484 9.5008 9.5008 9.5644 9.5644 k = 0.0000 0.0000 0.0000 ( 12695 PWs) bands (ev): -61.2210 -61.2210 -61.2142 -61.2142 -34.1298 -34.1298 -34.1019 -34.1019 -25.5736 -25.5736 -25.4389 -25.4389 -25.3745 -25.3745 -25.3613 -25.3613 -6.7022 -6.7022 -5.4977 -5.4977 -5.3250 -5.3250 -5.2243 -5.2243 -4.9668 -4.9668 -4.9533 -4.9533 -3.6397 -3.6397 -3.4640 -3.4640 -3.2756 -3.2756 -3.1048 -3.1048 0.9433 0.9433 1.0489 1.0489 2.0687 2.0687 2.3162 2.3162 2.4195 2.4195 2.5988 2.5988 2.7764 2.7764 2.8967 2.8967 3.5610 3.5610 3.6161 3.6161 3.8738 3.8738 4.0525 4.0525 4.0733 4.0733 4.2828 4.2828 4.4711 4.4711 4.6730 4.6730 5.0921 5.0921 5.3231 5.3231 5.4046 5.4046 5.4757 5.4757 5.6424 5.6424 5.6617 5.6617 5.8830 5.8830 6.0375 6.0375 6.0399 6.0399 6.4233 6.4233 7.1785 7.1785 8.0116 8.0116 8.1036 8.1036 8.2998 8.2998 9.0291 9.0291 9.0833 9.0833 9.3484 9.3484 9.5008 9.5008 9.5644 9.5644 k = 0.0000 0.0000 0.0212 ( 12692 PWs) bands (ev): -61.2210 -61.2210 -61.2142 -61.2142 -34.1298 -34.1298 -34.1019 -34.1019 -25.5736 -25.5736 -25.4389 -25.4389 -25.3745 -25.3745 -25.3613 -25.3613 -6.7014 -6.7014 -5.4981 -5.4981 -5.3287 -5.3287 -5.2253 -5.2253 -4.9647 -4.9647 -4.9521 -4.9521 -3.6383 -3.6383 -3.4642 -3.4642 -3.2755 -3.2755 -3.1045 -3.1045 0.9428 0.9428 1.0494 1.0494 2.0660 2.0660 2.3125 2.3125 2.4250 2.4250 2.5997 2.5997 2.7788 2.7788 2.8918 2.8918 3.5595 3.5595 3.6151 3.6151 3.8715 3.8715 4.0349 4.0349 4.0971 4.0971 4.2845 4.2845 4.4747 4.4747 4.6696 4.6696 5.0905 5.0905 5.3225 5.3225 5.4011 5.4011 5.4748 5.4748 5.6329 5.6329 5.6706 5.6706 5.8820 5.8820 6.0137 6.0137 6.0682 6.0682 6.4242 6.4242 7.1796 7.1796 8.0082 8.0082 8.1090 8.1090 8.2998 8.2998 9.0289 9.0289 9.0836 9.0836 9.3469 9.3469 9.5000 9.5000 9.5625 9.5625 k = 0.0000 0.0000 0.0425 ( 12700 PWs) bands (ev): -61.2210 -61.2210 -61.2142 -61.2142 -34.1298 -34.1298 -34.1019 -34.1019 -25.5736 -25.5736 -25.4389 -25.4389 -25.3745 -25.3745 -25.3613 -25.3613 -6.6990 -6.6990 -5.4992 -5.4992 -5.3391 -5.3391 -5.2284 -5.2284 -4.9586 -4.9586 -4.9485 -4.9485 -3.6343 -3.6343 -3.4645 -3.4645 -3.2752 -3.2752 -3.1038 -3.1038 0.9414 0.9414 1.0510 1.0510 2.0587 2.0587 2.3028 2.3028 2.4392 2.4392 2.6030 2.6030 2.7852 2.7852 2.8783 2.8783 3.5549 3.5549 3.6117 3.6117 3.8635 3.8635 4.0215 4.0215 4.1297 4.1297 4.2894 4.2894 4.4859 4.4859 4.6600 4.6600 5.0857 5.0857 5.3206 5.3206 5.3914 5.3914 5.4715 5.4715 5.6190 5.6190 5.6832 5.6832 5.8787 5.8787 5.9965 5.9965 6.0988 6.0988 6.4270 6.4270 7.1829 7.1829 8.0008 8.0008 8.1220 8.1220 8.3004 8.3004 9.0283 9.0283 9.0842 9.0842 9.3421 9.3421 9.4971 9.4971 9.5569 9.5569 k = 0.0000 0.0000 0.0637 ( 12697 PWs) bands (ev): -61.2210 -61.2210 -61.2142 -61.2142 -34.1298 -34.1298 -34.1019 -34.1019 -25.5736 -25.5736 -25.4389 -25.4389 -25.3745 -25.3745 -25.3613 -25.3613 -6.6950 -6.6950 -5.5012 -5.5012 -5.3551 -5.3551 -5.2335 -5.2335 -4.9494 -4.9494 -4.9426 -4.9426 -3.6276 -3.6276 -3.4650 -3.4650 -3.2748 -3.2748 -3.1026 -3.1026 0.9390 0.9390 1.0537 1.0537 2.0483 2.0483 2.2893 2.2893 2.4567 2.4567 2.6101 2.6101 2.7915 2.7915 2.8616 2.8616 3.5467 3.5467 3.6057 3.6057 3.8495 3.8495 4.0209 4.0209 4.1603 4.1603 4.2968 4.2968 4.5055 4.5055 4.6455 4.6455 5.0773 5.0773 5.3175 5.3175 5.3778 5.3778 5.4643 5.4643 5.6074 5.6074 5.6942 5.6942 5.8733 5.8733 5.9884 5.9884 6.1273 6.1273 6.4314 6.4314 7.1882 7.1882 7.9936 7.9936 8.1373 8.1373 8.3032 8.3032 9.0271 9.0271 9.0851 9.0851 9.3335 9.3335 9.4918 9.4918 9.5486 9.5486 k = 0.0000 0.0000 0.0850 ( 12700 PWs) bands (ev): -61.2210 -61.2210 -61.2142 -61.2142 -34.1298 -34.1298 -34.1019 -34.1019 -25.5736 -25.5736 -25.4389 -25.4389 -25.3745 -25.3745 -25.3613 -25.3613 -6.6894 -6.6894 -5.5047 -5.5047 -5.3748 -5.3748 -5.2405 -5.2405 -4.9385 -4.9385 -4.9342 -4.9342 -3.6185 -3.6185 -3.4656 -3.4656 -3.2743 -3.2743 -3.1011 -3.1011 0.9359 0.9359 1.0572 1.0572 2.0368 2.0368 2.2735 2.2735 2.4718 2.4718 2.6233 2.6233 2.7862 2.7862 2.8551 2.8551 3.5340 3.5340 3.5976 3.5976 3.8329 3.8329 4.0292 4.0292 4.1868 4.1868 4.3058 4.3058 4.5333 4.5333 4.6285 4.6285 5.0652 5.0652 5.3127 5.3127 5.3625 5.3625 5.4536 5.4536 5.5989 5.5989 5.7031 5.7031 5.8673 5.8673 5.9879 5.9879 6.1516 6.1516 6.4370 6.4370 7.1952 7.1952 7.9891 7.9891 8.1506 8.1506 8.3104 8.3104 9.0254 9.0254 9.0858 9.0858 9.3202 9.3202 9.4831 9.4831 9.5395 9.5395 k = 0.0000 0.0000 0.1062 ( 12701 PWs) bands (ev): -61.2210 -61.2210 -61.2142 -61.2142 -34.1298 -34.1298 -34.1019 -34.1019 -25.5736 -25.5736 -25.4389 -25.4389 -25.3745 -25.3745 -25.3613 -25.3613 -6.6823 -6.6823 -5.5106 -5.5106 -5.3960 -5.3960 -5.2492 -5.2492 -4.9283 -4.9283 -4.9225 -4.9225 -3.6071 -3.6071 -3.4661 -3.4661 -3.2738 -3.2738 -3.0992 -3.0992 0.9321 0.9321 1.0615 1.0615 2.0259 2.0259 2.2562 2.2562 2.4800 2.4800 2.6429 2.6429 2.7642 2.7642 2.8673 2.8673 3.5160 3.5160 3.5883 3.5883 3.8175 3.8175 4.0398 4.0398 4.2078 4.2078 4.3162 4.3162 4.5647 4.5647 4.6154 4.6154 5.0497 5.0497 5.3054 5.3054 5.3482 5.3482 5.4412 5.4412 5.5927 5.5927 5.7102 5.7102 5.8627 5.8627 5.9921 5.9921 6.1709 6.1709 6.4432 6.4432 7.2034 7.2034 7.9877 7.9877 8.1602 8.1602 8.3240 8.3240 9.0223 9.0223 9.0859 9.0859 9.3014 9.3014 9.4712 9.4712 9.5315 9.5315 k = 0.0000 0.0000 0.1275 ( 12701 PWs) bands (ev): -61.2210 -61.2210 -61.2142 -61.2142 -34.1298 -34.1298 -34.1019 -34.1019 -25.5736 -25.5736 -25.4389 -25.4389 -25.3745 -25.3745 -25.3613 -25.3613 -6.6738 -6.6738 -5.5203 -5.5203 -5.4162 -5.4162 -5.2592 -5.2592 -4.9184 -4.9184 -4.9089 -4.9089 -3.5936 -3.5936 -3.4665 -3.4665 -3.2735 -3.2735 -3.0973 -3.0973 0.9278 0.9278 1.0664 1.0664 2.0169 2.0169 2.2382 2.2382 2.4794 2.4794 2.6618 2.6618 2.7423 2.7423 2.8900 2.8900 3.4925 3.4925 3.5785 3.5785 3.8054 3.8054 4.0482 4.0482 4.2212 4.2212 4.3280 4.3280 4.5790 4.5790 4.6286 4.6286 5.0315 5.0315 5.2940 5.2940 5.3380 5.3380 5.4293 5.4293 5.5878 5.5878 5.7159 5.7159 5.8605 5.8605 5.9980 5.9980 6.1852 6.1852 6.4492 6.4492 7.2123 7.2123 7.9880 7.9880 8.1681 8.1681 8.3441 8.3441 9.0165 9.0165 9.0853 9.0853 9.2772 9.2772 9.4578 9.4578 9.5254 9.5254 k = 0.0000 0.0000 0.1487 ( 12709 PWs) bands (ev): -61.2210 -61.2210 -61.2142 -61.2142 -34.1298 -34.1298 -34.1019 -34.1019 -25.5736 -25.5736 -25.4389 -25.4389 -25.3745 -25.3745 -25.3613 -25.3613 -6.6640 -6.6640 -5.5356 -5.5356 -5.4328 -5.4328 -5.2702 -5.2702 -4.9080 -4.9080 -4.8951 -4.8951 -3.5784 -3.5784 -3.4665 -3.4665 -3.2733 -3.2733 -3.0952 -3.0952 0.9230 0.9230 1.0718 1.0718 2.0108 2.0108 2.2201 2.2201 2.4703 2.4703 2.6575 2.6575 2.7472 2.7472 2.9180 2.9180 3.4644 3.4644 3.5682 3.5682 3.7971 3.7971 4.0524 4.0524 4.2247 4.2247 4.3395 4.3395 4.5791 4.5791 4.6678 4.6678 5.0121 5.0121 5.2783 5.2783 5.3325 5.3325 5.4198 5.4198 5.5840 5.5840 5.7204 5.7204 5.8609 5.8609 6.0029 6.0029 6.1956 6.1956 6.4544 6.4544 7.2210 7.2210 7.9867 7.9867 8.1790 8.1790 8.3691 8.3691 9.0050 9.0050 9.0842 9.0842 9.2498 9.2498 9.4450 9.4450 9.5207 9.5207 k = 0.0000 0.0000 0.1700 ( 12711 PWs) bands (ev): -61.2210 -61.2210 -61.2142 -61.2142 -34.1298 -34.1298 -34.1019 -34.1019 -25.5736 -25.5736 -25.4389 -25.4389 -25.3745 -25.3745 -25.3613 -25.3613 -6.6528 -6.6528 -5.5572 -5.5572 -5.4443 -5.4443 -5.2819 -5.2819 -4.8975 -4.8975 -4.8815 -4.8815 -3.5618 -3.5618 -3.4662 -3.4662 -3.2735 -3.2735 -3.0933 -3.0933 0.9178 0.9178 1.0776 1.0776 2.0083 2.0083 2.2023 2.2023 2.4537 2.4537 2.6316 2.6316 2.7780 2.7780 2.9493 2.9493 3.4328 3.4328 3.5571 3.5571 3.7925 3.7925 4.0521 4.0521 4.2190 4.2190 4.3459 4.3459 4.5884 4.5884 4.7107 4.7107 4.9930 4.9930 5.2601 5.2601 5.3301 5.3301 5.4146 5.4146 5.5815 5.5815 5.7238 5.7238 5.8635 5.8635 6.0046 6.0046 6.2036 6.2036 6.4589 6.4589 7.2289 7.2289 7.9801 7.9801 8.1979 8.1979 8.3972 8.3972 8.9834 8.9834 9.0833 9.0833 9.2237 9.2237 9.4342 9.4342 9.5168 9.5168 k = 0.0000 0.0000 0.1912 ( 12715 PWs) bands (ev): -61.2210 -61.2210 -61.2142 -61.2142 -34.1298 -34.1298 -34.1019 -34.1019 -25.5736 -25.5736 -25.4389 -25.4389 -25.3746 -25.3746 -25.3613 -25.3613 -6.6406 -6.6406 -5.5840 -5.5840 -5.4512 -5.4512 -5.2939 -5.2939 -4.8870 -4.8870 -4.8686 -4.8686 -3.5443 -3.5443 -3.4651 -3.4651 -3.2741 -3.2741 -3.0915 -3.0915 0.9124 0.9124 1.0837 1.0837 2.0096 2.0096 2.1856 2.1856 2.4303 2.4303 2.6023 2.6023 2.8159 2.8159 2.9827 2.9827 3.3990 3.3990 3.5449 3.5449 3.7913 3.7913 4.0478 4.0478 4.2061 4.2061 4.3455 4.3455 4.6097 4.6097 4.7521 4.7521 4.9758 4.9758 5.2408 5.2408 5.3282 5.3282 5.4161 5.4161 5.5807 5.5807 5.7262 5.7262 5.8675 5.8675 6.0015 6.0015 6.2106 6.2106 6.4629 6.4629 7.2357 7.2357 7.9665 7.9665 8.2268 8.2268 8.4267 8.4267 8.9482 8.9482 9.0839 9.0839 9.2033 9.2033 9.4254 9.4254 9.5135 9.5135 k = 0.0000 0.0000 0.2125 ( 12710 PWs) bands (ev): -61.2210 -61.2210 -61.2142 -61.2142 -34.1298 -34.1298 -34.1019 -34.1019 -25.5736 -25.5736 -25.4389 -25.4389 -25.3746 -25.3746 -25.3613 -25.3613 -6.6273 -6.6273 -5.6139 -5.6139 -5.4550 -5.4550 -5.3062 -5.3062 -4.8766 -4.8766 -4.8566 -4.8566 -3.5265 -3.5265 -3.4629 -3.4629 -3.2751 -3.2751 -3.0901 -3.0901 0.9068 0.9068 1.0900 1.0900 2.0150 2.0150 2.1703 2.1703 2.4016 2.4016 2.5749 2.5749 2.8544 2.8544 3.0172 3.0172 3.3645 3.3645 3.5310 3.5310 3.7932 3.7932 4.0399 4.0399 4.1887 4.1887 4.3404 4.3404 4.6378 4.6378 4.7897 4.7897 4.9617 4.9617 5.2213 5.2213 5.3247 5.3247 5.4263 5.4263 5.5819 5.5819 5.7280 5.7280 5.8724 5.8724 5.9929 5.9929 6.2175 6.2175 6.4672 6.4672 7.2411 7.2411 7.9468 7.9468 8.2644 8.2644 8.4564 8.4564 8.9002 8.9002 9.0863 9.0863 9.1901 9.1901 9.4185 9.4185 9.5105 9.5105 k = 0.0000 0.0000 0.2337 ( 12714 PWs) bands (ev): -61.2210 -61.2210 -61.2142 -61.2142 -34.1298 -34.1298 -34.1019 -34.1019 -25.5736 -25.5736 -25.4389 -25.4389 -25.3746 -25.3746 -25.3613 -25.3613 -6.6132 -6.6132 -5.6455 -5.6455 -5.4565 -5.4565 -5.3185 -5.3185 -4.8665 -4.8665 -4.8457 -4.8457 -3.5093 -3.5093 -3.4591 -3.4591 -3.2767 -3.2767 -3.0892 -3.0892 0.9012 0.9012 1.0964 1.0964 2.0244 2.0244 2.1568 2.1568 2.3695 2.3695 2.5501 2.5501 2.8903 2.8903 3.0513 3.0513 3.3312 3.3312 3.5156 3.5156 3.7979 3.7979 4.0286 4.0286 4.1699 4.1699 4.3336 4.3336 4.6663 4.6663 4.8225 4.8225 4.9522 4.9522 5.2027 5.2027 5.3193 5.3193 5.4451 5.4451 5.5855 5.5855 5.7293 5.7293 5.8771 5.8771 5.9793 5.9793 6.2244 6.2244 6.4726 6.4726 7.2451 7.2451 7.9229 7.9229 8.3071 8.3071 8.4850 8.4850 8.8442 8.8442 9.0904 9.0904 9.1827 9.1827 9.4132 9.4132 9.5078 9.5078 k = 0.0000 0.0000 0.2550 ( 12721 PWs) bands (ev): -61.2211 -61.2211 -61.2142 -61.2142 -34.1298 -34.1298 -34.1019 -34.1019 -25.5736 -25.5736 -25.4389 -25.4389 -25.3746 -25.3746 -25.3613 -25.3613 -6.5986 -6.5986 -5.6774 -5.6774 -5.4566 -5.4566 -5.3306 -5.3306 -4.8569 -4.8569 -4.8359 -4.8359 -3.4943 -3.4943 -3.4525 -3.4525 -3.2787 -3.2787 -3.0888 -3.0888 0.8956 0.8956 1.1027 1.1027 2.0373 2.0373 2.1458 2.1458 2.3358 2.3358 2.5279 2.5279 2.9204 2.9204 3.0832 3.0832 3.3023 3.3023 3.4986 3.4986 3.8048 3.8048 4.0144 4.0144 4.1522 4.1522 4.3271 4.3271 4.6901 4.6901 4.8475 4.8475 4.9502 4.9502 5.1856 5.1856 5.3129 5.3129 5.4696 5.4696 5.5917 5.5917 5.7305 5.7305 5.8806 5.8806 5.9622 5.9622 6.2312 6.2312 6.4799 6.4799 7.2476 7.2476 7.8965 7.8965 8.3497 8.3497 8.5116 8.5116 8.7867 8.7867 9.0958 9.0958 9.1792 9.1792 9.4090 9.4090 9.5054 9.5054 k = 0.0000 0.0000 0.2762 ( 12727 PWs) bands (ev): -61.2211 -61.2211 -61.2142 -61.2142 -34.1298 -34.1298 -34.1020 -34.1020 -25.5736 -25.5736 -25.4389 -25.4389 -25.3746 -25.3746 -25.3613 -25.3613 -6.5837 -6.5837 -5.7088 -5.7088 -5.4556 -5.4556 -5.3425 -5.3425 -4.8478 -4.8478 -4.8273 -4.8273 -3.4831 -3.4831 -3.4418 -3.4418 -3.2812 -3.2812 -3.0889 -3.0889 0.8901 0.8901 1.1089 1.1089 2.0526 2.0526 2.1380 2.1380 2.3023 2.3023 2.5078 2.5078 2.9408 2.9408 3.1113 3.1113 3.2824 3.2824 3.4803 3.4803 3.8132 3.8132 3.9982 3.9982 4.1376 4.1376 4.3218 4.3218 4.7066 4.7066 4.8606 4.8606 4.9594 4.9594 5.1714 5.1714 5.3066 5.3066 5.4953 5.4953 5.6017 5.6017 5.7323 5.7323 5.8811 5.8811 5.9449 5.9449 6.2373 6.2373 6.4895 6.4895 7.2489 7.2489 7.8694 7.8694 8.3850 8.3850 8.5359 8.5359 8.7358 8.7358 9.1022 9.1022 9.1780 9.1780 9.4058 9.4058 9.5034 9.5034 k = 0.0000 0.0000 0.2975 ( 12728 PWs) bands (ev): -61.2211 -61.2211 -61.2142 -61.2142 -34.1298 -34.1298 -34.1019 -34.1019 -25.5736 -25.5736 -25.4389 -25.4389 -25.3746 -25.3746 -25.3614 -25.3614 -6.5688 -6.5688 -5.7388 -5.7388 -5.4537 -5.4537 -5.3540 -5.3540 -4.8394 -4.8394 -4.8200 -4.8200 -3.4756 -3.4756 -3.4275 -3.4275 -3.2841 -3.2841 -3.0896 -3.0896 0.8849 0.8849 1.1148 1.1148 2.0683 2.0683 2.1350 2.1350 2.2704 2.2704 2.4898 2.4898 2.9463 2.9463 3.1357 3.1357 3.2758 3.2758 3.4614 3.4614 3.8214 3.8214 3.9815 3.9815 4.1271 4.1271 4.3181 4.3181 4.7151 4.7151 4.8627 4.8627 4.9775 4.9775 5.1617 5.1617 5.3015 5.3015 5.5155 5.5155 5.6171 5.6171 5.7355 5.7355 5.8757 5.8757 5.9321 5.9321 6.2425 6.2425 6.5015 6.5015 7.2491 7.2491 7.8426 7.8426 8.4016 8.4016 8.5600 8.5600 8.7009 8.7009 9.1092 9.1092 9.1779 9.1779 9.4033 9.4033 9.5019 9.5019 k = 0.0000 0.0000 0.3187 ( 12722 PWs) bands (ev): -61.2210 -61.2210 -61.2142 -61.2142 -34.1298 -34.1298 -34.1019 -34.1019 -25.5736 -25.5736 -25.4389 -25.4389 -25.3746 -25.3746 -25.3614 -25.3614 -6.5544 -6.5544 -5.7669 -5.7669 -5.4510 -5.4510 -5.3651 -5.3651 -4.8318 -4.8318 -4.8139 -4.8139 -3.4705 -3.4705 -3.4116 -3.4116 -3.2874 -3.2874 -3.0909 -3.0909 0.8801 0.8801 1.1203 1.1203 2.0808 2.0808 2.1394 2.1394 2.2413 2.2413 2.4739 2.4739 2.9346 2.9346 3.1593 3.1593 3.2816 3.2816 3.4424 3.4424 3.8276 3.8276 3.9663 3.9663 4.1209 4.1209 4.3162 4.3162 4.7159 4.7159 4.8599 4.8599 4.9956 4.9956 5.1590 5.1590 5.2985 5.2985 5.5255 5.5255 5.6366 5.6366 5.7423 5.7423 5.8641 5.8641 5.9259 5.9259 6.2465 6.2465 6.5154 6.5154 7.2483 7.2483 7.8174 7.8174 8.3907 8.3907 8.5881 8.5881 8.6868 8.6868 9.1166 9.1166 9.1784 9.1784 9.4014 9.4014 9.5011 9.5011 k = 0.0000 0.0000 0.3400 ( 12727 PWs) bands (ev): -61.2211 -61.2211 -61.2142 -61.2142 -34.1299 -34.1299 -34.1019 -34.1019 -25.5736 -25.5736 -25.4389 -25.4389 -25.3746 -25.3746 -25.3614 -25.3614 -6.5408 -6.5408 -5.7923 -5.7923 -5.4476 -5.4476 -5.3757 -5.3757 -4.8249 -4.8249 -4.8090 -4.8090 -3.4666 -3.4666 -3.3956 -3.3956 -3.2911 -3.2911 -3.0925 -3.0925 0.8758 0.8758 1.1253 1.1253 2.0878 2.0878 2.1512 2.1512 2.2170 2.2170 2.4603 2.4603 2.9091 2.9091 3.1842 3.1842 3.2944 3.2944 3.4244 3.4244 3.8293 3.8293 3.9551 3.9551 4.1186 4.1186 4.3161 4.3161 4.7100 4.7100 4.8569 4.8569 5.0068 5.0068 5.1649 5.1649 5.2989 5.2989 5.5246 5.5246 5.6540 5.6540 5.7553 5.7553 5.8512 5.8512 5.9237 5.9237 6.2493 6.2493 6.5305 6.5305 7.2467 7.2467 7.7946 7.7946 8.3584 8.3584 8.6194 8.6194 8.6884 8.6884 9.1243 9.1243 9.1787 9.1787 9.3999 9.3999 9.5007 9.5007 k = 0.0000 0.0000 0.3612 ( 12720 PWs) bands (ev): -61.2211 -61.2211 -61.2142 -61.2142 -34.1298 -34.1298 -34.1019 -34.1019 -25.5736 -25.5736 -25.4389 -25.4389 -25.3746 -25.3746 -25.3613 -25.3613 -6.5287 -6.5287 -5.8143 -5.8143 -5.4434 -5.4434 -5.3857 -5.3857 -4.8189 -4.8189 -4.8054 -4.8054 -3.4634 -3.4634 -3.3807 -3.3807 -3.2950 -3.2950 -3.0944 -3.0944 0.8722 0.8722 1.1296 1.1296 2.0914 2.0914 2.1605 2.1605 2.2043 2.2043 2.4492 2.4492 2.8766 2.8766 3.2098 3.2098 3.3082 3.3082 3.4083 3.4083 3.8253 3.8253 3.9493 3.9493 4.1196 4.1196 4.3177 4.3177 4.6994 4.6994 4.8553 4.8553 5.0098 5.0098 5.1776 5.1776 5.3038 5.3038 5.5144 5.5144 5.6642 5.6642 5.7741 5.7741 5.8425 5.8425 5.9221 5.9221 6.2512 6.2512 6.5458 6.5458 7.2446 7.2446 7.7748 7.7748 8.3183 8.3183 8.6489 8.6489 8.6976 8.6976 9.1321 9.1321 9.1786 9.1786 9.3987 9.3987 9.5009 9.5009 k = 0.0000 0.0000 0.3825 ( 12718 PWs) bands (ev): -61.2210 -61.2210 -61.2142 -61.2142 -34.1298 -34.1298 -34.1019 -34.1019 -25.5736 -25.5736 -25.4389 -25.4389 -25.3746 -25.3746 -25.3613 -25.3613 -6.5185 -6.5185 -5.8323 -5.8323 -5.4386 -5.4386 -5.3952 -5.3952 -4.8139 -4.8139 -4.8029 -4.8029 -3.4609 -3.4609 -3.3676 -3.3676 -3.2989 -3.2989 -3.0962 -3.0962 0.8692 0.8692 1.1331 1.1331 2.0945 2.0945 2.1532 2.1532 2.2125 2.2125 2.4408 2.4408 2.8433 2.8433 3.2344 3.2344 3.3187 3.3187 3.3958 3.3958 3.8170 3.8170 3.9479 3.9479 4.1225 4.1225 4.3206 4.3206 4.6867 4.6867 4.8553 4.8553 5.0074 5.0074 5.1918 5.1918 5.3149 5.3149 5.4969 5.4969 5.6682 5.6682 5.7912 5.7912 5.8432 5.8432 5.9192 5.9192 6.2524 6.2524 6.5599 6.5599 7.2422 7.2422 7.7588 7.7588 8.2801 8.2801 8.6726 8.6726 8.7096 8.7096 9.1396 9.1396 9.1778 9.1778 9.3977 9.3977 9.5014 9.5014 k = 0.0000 0.0000 0.4037 ( 12722 PWs) bands (ev): -61.2211 -61.2211 -61.2142 -61.2142 -34.1298 -34.1298 -34.1019 -34.1019 -25.5736 -25.5736 -25.4389 -25.4389 -25.3746 -25.3746 -25.3613 -25.3613 -6.5107 -6.5107 -5.8457 -5.8457 -5.4331 -5.4331 -5.4040 -5.4040 -4.8099 -4.8099 -4.8015 -4.8015 -3.4590 -3.4590 -3.3569 -3.3569 -3.3027 -3.3027 -3.0978 -3.0978 0.8670 0.8670 1.1356 1.1356 2.0987 2.0987 2.1392 2.1392 2.2281 2.2281 2.4351 2.4351 2.8145 2.8145 3.2564 3.2564 3.3226 3.3226 3.3885 3.3885 3.8079 3.8079 3.9487 3.9487 4.1261 4.1261 4.3239 4.3239 4.6747 4.6747 4.8560 4.8560 5.0032 5.0032 5.2030 5.2030 5.3320 5.3320 5.4748 5.4748 5.6692 5.6692 5.7990 5.7990 5.8562 5.8562 5.9136 5.9136 6.2530 6.2530 6.5714 6.5714 7.2401 7.2401 7.7471 7.7471 8.2495 8.2495 8.6885 8.6885 8.7216 8.7216 9.1464 9.1464 9.1762 9.1762 9.3971 9.3971 9.5020 9.5020 k = 0.0000 0.0000 0.4250 ( 12719 PWs) bands (ev): -61.2210 -61.2210 -61.2142 -61.2142 -34.1298 -34.1298 -34.1019 -34.1019 -25.5736 -25.5736 -25.4389 -25.4389 -25.3746 -25.3746 -25.3613 -25.3613 -6.5058 -6.5058 -5.8540 -5.8540 -5.4270 -5.4270 -5.4121 -5.4121 -4.8072 -4.8072 -4.8010 -4.8010 -3.4578 -3.4578 -3.3496 -3.3496 -3.3057 -3.3057 -3.0989 -3.0989 0.8657 0.8657 1.1372 1.1372 2.1044 2.1044 2.1264 2.1264 2.2400 2.2400 2.4319 2.4319 2.7949 2.7949 3.2734 3.2734 3.3201 3.3201 3.3862 3.3862 3.8009 3.8009 3.9498 3.9498 4.1290 4.1290 4.3266 4.3266 4.6661 4.6661 4.8569 4.8569 4.9997 4.9997 5.2095 5.2095 5.3510 5.3510 5.4530 5.4530 5.6692 5.6692 5.8007 5.8007 5.8743 5.8743 5.9047 5.9047 6.2533 6.2533 6.5790 6.5790 7.2385 7.2385 7.7399 7.7399 8.2299 8.2299 8.6972 8.6972 8.7304 8.7304 9.1516 9.1516 9.1743 9.1743 9.3967 9.3967 9.5024 9.5024 k = 0.0000 0.0000 0.4462 ( 12714 PWs) bands (ev): -61.2210 -61.2210 -61.2142 -61.2142 -34.1298 -34.1298 -34.1019 -34.1019 -25.5736 -25.5736 -25.4389 -25.4389 -25.3746 -25.3746 -25.3613 -25.3613 -6.5042 -6.5042 -5.8568 -5.8568 -5.4216 -5.4216 -5.4181 -5.4181 -4.8062 -4.8062 -4.8009 -4.8009 -3.4574 -3.4574 -3.3470 -3.3470 -3.3069 -3.3069 -3.0993 -3.0993 0.8652 0.8652 1.1378 1.1378 2.1093 2.1093 2.1190 2.1190 2.2444 2.2444 2.4310 2.4310 2.7880 2.7880 3.2808 3.2808 3.3171 3.3171 3.3860 3.3860 3.7984 3.7984 3.9502 3.9502 4.1300 4.1300 4.3276 4.3276 4.6630 4.6630 4.8572 4.8572 4.9983 4.9983 5.2115 5.2115 5.3609 5.3609 5.4422 5.4422 5.6692 5.6692 5.8009 5.8009 5.8884 5.8884 5.8942 5.8942 6.2533 6.2533 6.5816 6.5816 7.2379 7.2379 7.7375 7.7375 8.2232 8.2232 8.6999 8.6999 8.7337 8.7337 9.1537 9.1537 9.1734 9.1734 9.3965 9.3965 9.5026 9.5026 k = 0.0000-0.4373 0.2267 ( 12690 PWs) bands (ev): -61.2211 -61.2211 -61.2142 -61.2142 -34.1297 -34.1297 -34.1019 -34.1019 -25.5735 -25.5735 -25.4389 -25.4389 -25.3746 -25.3746 -25.3612 -25.3612 -6.4980 -6.4980 -5.6881 -5.6881 -5.4737 -5.4737 -5.3164 -5.3164 -4.9821 -4.9821 -4.9521 -4.9521 -3.7916 -3.7916 -3.3125 -3.3125 -3.1086 -3.1086 -2.9321 -2.9321 0.9437 0.9437 1.5081 1.5081 2.1373 2.1373 2.2387 2.2387 2.2519 2.2519 2.3666 2.3666 2.7895 2.7895 2.9538 2.9538 3.4937 3.4937 3.5478 3.5478 3.8135 3.8135 4.0253 4.0253 4.1884 4.1884 4.2588 4.2588 4.3969 4.3969 4.6474 4.6474 4.9999 4.9999 5.0210 5.0210 5.2738 5.2738 5.4725 5.4725 5.4893 5.4893 5.5986 5.5986 5.8612 5.8612 5.8811 5.8811 6.2241 6.2241 6.6635 6.6635 7.0706 7.0706 7.5272 7.5272 8.1842 8.1842 8.6493 8.6493 9.0675 9.0675 9.1014 9.1014 9.3508 9.3508 9.5333 9.5333 9.7075 9.7080 k = 0.0000-0.4190 0.2173 ( 12692 PWs) bands (ev): -61.2211 -61.2211 -61.2142 -61.2142 -34.1297 -34.1297 -34.1019 -34.1019 -25.5735 -25.5735 -25.4389 -25.4389 -25.3746 -25.3746 -25.3612 -25.3612 -6.4992 -6.4992 -5.6865 -5.6865 -5.4732 -5.4732 -5.3163 -5.3163 -4.9820 -4.9820 -4.9521 -4.9521 -3.7911 -3.7911 -3.3136 -3.3136 -3.1085 -3.1085 -2.9330 -2.9330 0.9439 0.9439 1.5046 1.5046 2.1370 2.1370 2.2330 2.2330 2.2599 2.2599 2.3691 2.3691 2.7904 2.7904 2.9528 2.9528 3.4865 3.4865 3.5505 3.5505 3.8158 3.8158 4.0255 4.0255 4.1857 4.1857 4.2604 4.2604 4.3990 4.3990 4.6480 4.6480 4.9927 4.9927 5.0313 5.0313 5.2732 5.2732 5.4649 5.4649 5.4974 5.4974 5.5989 5.5989 5.8505 5.8505 5.8926 5.8926 6.2229 6.2229 6.6625 6.6625 7.0712 7.0712 7.5297 7.5297 8.1845 8.1845 8.6452 8.6452 9.0596 9.0596 9.1072 9.1072 9.3520 9.3520 9.5313 9.5313 9.7040 9.7042 k = 0.0000-0.4008 0.2078 ( 12686 PWs) bands (ev): -61.2210 -61.2210 -61.2142 -61.2142 -34.1297 -34.1297 -34.1019 -34.1019 -25.5735 -25.5735 -25.4389 -25.4389 -25.3746 -25.3746 -25.3613 -25.3613 -6.5027 -6.5027 -5.6819 -5.6819 -5.4717 -5.4717 -5.3161 -5.3161 -4.9820 -4.9820 -4.9521 -4.9521 -3.7894 -3.7894 -3.3170 -3.3170 -3.1082 -3.1082 -2.9357 -2.9357 0.9444 0.9444 1.4944 1.4944 2.1354 2.1354 2.2283 2.2283 2.2715 2.2715 2.3767 2.3767 2.7931 2.7931 2.9499 2.9499 3.4693 3.4693 3.5548 3.5548 3.8223 3.8223 4.0263 4.0263 4.1792 4.1792 4.2640 4.2640 4.4049 4.4049 4.6499 4.6499 4.9824 4.9824 5.0511 5.0511 5.2717 5.2717 5.4535 5.4535 5.5105 5.5105 5.5999 5.5999 5.8346 5.8346 5.9109 5.9109 6.2193 6.2193 6.6593 6.6593 7.0726 7.0726 7.5370 7.5370 8.1852 8.1852 8.6331 8.6331 9.0436 9.0436 9.1170 9.1170 9.3554 9.3554 9.5259 9.5259 9.6973 9.6973 k = 0.0000-0.3826 0.1984 ( 12689 PWs) bands (ev): -61.2211 -61.2211 -61.2142 -61.2142 -34.1297 -34.1297 -34.1019 -34.1019 -25.5735 -25.5735 -25.4389 -25.4389 -25.3746 -25.3746 -25.3613 -25.3613 -6.5085 -6.5085 -5.6746 -5.6746 -5.4692 -5.4692 -5.3157 -5.3157 -4.9818 -4.9818 -4.9521 -4.9521 -3.7867 -3.7867 -3.3225 -3.3225 -3.1079 -3.1079 -2.9400 -2.9400 0.9452 0.9452 1.4782 1.4782 2.1307 2.1307 2.2303 2.2303 2.2812 2.2812 2.3901 2.3901 2.7976 2.7976 2.9452 2.9452 3.4471 3.4471 3.5561 3.5561 3.8328 3.8328 4.0278 4.0278 4.1717 4.1717 4.2678 4.2678 4.4132 4.4132 4.6531 4.6531 4.9733 4.9733 5.0750 5.0750 5.2691 5.2691 5.4432 5.4432 5.5238 5.5238 5.6018 5.6018 5.8193 5.8193 5.9305 5.9305 6.2136 6.2136 6.6541 6.6541 7.0750 7.0750 7.5488 7.5488 8.1864 8.1864 8.6138 8.6138 9.0251 9.0251 9.1251 9.1251 9.3604 9.3604 9.5185 9.5185 9.6910 9.6910 k = 0.0000-0.3644 0.1889 ( 12682 PWs) bands (ev): -61.2210 -61.2210 -61.2142 -61.2142 -34.1297 -34.1297 -34.1019 -34.1019 -25.5735 -25.5735 -25.4389 -25.4389 -25.3746 -25.3746 -25.3613 -25.3613 -6.5162 -6.5162 -5.6647 -5.6647 -5.4656 -5.4656 -5.3151 -5.3151 -4.9817 -4.9817 -4.9522 -4.9522 -3.7828 -3.7828 -3.3298 -3.3298 -3.1076 -3.1076 -2.9460 -2.9460 0.9463 0.9463 1.4572 1.4572 2.1230 2.1230 2.2382 2.2382 2.2885 2.2885 2.4090 2.4090 2.8039 2.8039 2.9391 2.9391 3.4227 3.4227 3.5530 3.5530 3.8463 3.8463 4.0299 4.0299 4.1653 4.1653 4.2710 4.2710 4.4224 4.4224 4.6578 4.6578 4.9655 4.9655 5.1020 5.1020 5.2660 5.2660 5.4348 5.4348 5.5366 5.5366 5.6046 5.6046 5.8053 5.8053 5.9505 5.9505 6.2060 6.2060 6.6470 6.6470 7.0781 7.0781 7.5647 7.5647 8.1880 8.1880 8.5885 8.5885 9.0062 9.0062 9.1300 9.1300 9.3662 9.3662 9.5107 9.5107 9.6860 9.6860 k = 0.0000-0.3462 0.1795 ( 12685 PWs) bands (ev): -61.2210 -61.2210 -61.2142 -61.2142 -34.1297 -34.1297 -34.1019 -34.1019 -25.5735 -25.5735 -25.4389 -25.4389 -25.3746 -25.3746 -25.3613 -25.3613 -6.5257 -6.5257 -5.6528 -5.6528 -5.4609 -5.4609 -5.3143 -5.3143 -4.9814 -4.9814 -4.9522 -4.9522 -3.7780 -3.7780 -3.3388 -3.3388 -3.1077 -3.1077 -2.9536 -2.9536 0.9475 0.9475 1.4325 1.4325 2.1136 2.1136 2.2483 2.2483 2.2954 2.2954 2.4323 2.4323 2.8119 2.8119 2.9323 2.9323 3.3975 3.3975 3.5456 3.5456 3.8617 3.8617 4.0324 4.0324 4.1610 4.1610 4.2736 4.2736 4.4310 4.4310 4.6642 4.6642 4.9583 4.9583 5.1309 5.1309 5.2630 5.2630 5.4286 5.4286 5.5486 5.5486 5.6087 5.6087 5.7931 5.7931 5.9706 5.9706 6.1970 6.1970 6.6378 6.6378 7.0818 7.0818 7.5840 7.5840 8.1899 8.1899 8.5586 8.5586 8.9879 8.9879 9.1310 9.1310 9.3718 9.3718 9.5041 9.5041 9.6824 9.6824 k = 0.0000-0.3279 0.1700 ( 12689 PWs) bands (ev): -61.2210 -61.2210 -61.2142 -61.2142 -34.1298 -34.1298 -34.1019 -34.1019 -25.5735 -25.5735 -25.4389 -25.4389 -25.3745 -25.3745 -25.3613 -25.3613 -6.5365 -6.5365 -5.6393 -5.6393 -5.4550 -5.4550 -5.3133 -5.3133 -4.9811 -4.9811 -4.9523 -4.9523 -3.7721 -3.7721 -3.3491 -3.3491 -3.1082 -3.1082 -2.9626 -2.9626 0.9488 0.9488 1.4053 1.4053 2.1039 2.1039 2.2562 2.2562 2.3048 2.3048 2.4583 2.4583 2.8210 2.8210 2.9254 2.9254 3.3725 3.3725 3.5352 3.5352 3.8779 3.8779 4.0349 4.0349 4.1592 4.1592 4.2761 4.2761 4.4385 4.4385 4.6721 4.6721 4.9508 4.9508 5.1602 5.1602 5.2612 5.2612 5.4244 5.4244 5.5600 5.5600 5.6144 5.6144 5.7827 5.7827 5.9904 5.9904 6.1869 6.1869 6.6265 6.6265 7.0860 7.0860 7.6061 7.6061 8.1921 8.1921 8.5256 8.5256 8.9710 8.9710 9.1282 9.1282 9.3763 9.3763 9.4999 9.4999 9.6799 9.6800 k = 0.0000-0.3097 0.1606 ( 12693 PWs) bands (ev): -61.2210 -61.2210 -61.2142 -61.2142 -34.1298 -34.1298 -34.1019 -34.1019 -25.5736 -25.5736 -25.4389 -25.4389 -25.3745 -25.3745 -25.3613 -25.3613 -6.5485 -6.5485 -5.6249 -5.6249 -5.4478 -5.4478 -5.3121 -5.3121 -4.9808 -4.9808 -4.9524 -4.9524 -3.7653 -3.7653 -3.3603 -3.3603 -3.1095 -3.1095 -2.9729 -2.9729 0.9501 0.9501 1.3764 1.3764 2.0948 2.0948 2.2597 2.2597 2.3181 2.3181 2.4856 2.4856 2.8300 2.8300 2.9201 2.9201 3.3487 3.3487 3.5234 3.5234 3.8937 3.8937 4.0368 4.0368 4.1594 4.1594 4.2790 4.2790 4.4444 4.4444 4.6815 4.6815 4.9426 4.9426 5.1870 5.1870 5.2627 5.2627 5.4220 5.4220 5.5712 5.5712 5.6218 5.6218 5.7743 5.7743 6.0097 6.0097 6.1767 6.1767 6.6130 6.6130 7.0905 7.0905 7.6304 7.6304 8.1945 8.1945 8.4908 8.4908 8.9562 8.9562 9.1220 9.1220 9.3792 9.3792 9.4984 9.4984 9.6782 9.6782 k = 0.0000-0.2915 0.1511 ( 12693 PWs) bands (ev): -61.2210 -61.2210 -61.2142 -61.2142 -34.1298 -34.1298 -34.1019 -34.1019 -25.5736 -25.5736 -25.4389 -25.4389 -25.3745 -25.3745 -25.3613 -25.3613 -6.5612 -6.5612 -5.6101 -5.6101 -5.4393 -5.4393 -5.3106 -5.3106 -4.9803 -4.9803 -4.9525 -4.9525 -3.7577 -3.7577 -3.3723 -3.3723 -3.1116 -3.1116 -2.9843 -2.9843 0.9512 0.9512 1.3468 1.3468 2.0866 2.0866 2.2598 2.2598 2.3337 2.3337 2.5129 2.5129 2.8369 2.8369 2.9180 2.9180 3.3269 3.3269 3.5119 3.5119 3.9077 3.9077 4.0380 4.0380 4.1608 4.1608 4.2831 4.2831 4.4491 4.4491 4.6921 4.6921 4.9333 4.9333 5.2072 5.2072 5.2707 5.2707 5.4208 5.4208 5.5819 5.5819 5.6317 5.6317 5.7679 5.7679 6.0274 6.0274 6.1673 6.1673 6.5970 6.5970 7.0953 7.0953 7.6562 7.6562 8.1970 8.1970 8.4557 8.4557 8.9441 8.9441 9.1131 9.1131 9.3804 9.3804 9.4995 9.4995 9.6769 9.6769 k = 0.0000-0.2733 0.1417 ( 12696 PWs) bands (ev): -61.2210 -61.2210 -61.2142 -61.2142 -34.1298 -34.1298 -34.1019 -34.1019 -25.5735 -25.5735 -25.4389 -25.4389 -25.3746 -25.3746 -25.3613 -25.3613 -6.5744 -6.5744 -5.5955 -5.5955 -5.4294 -5.4294 -5.3088 -5.3088 -4.9798 -4.9798 -4.9525 -4.9525 -3.7492 -3.7492 -3.3848 -3.3848 -3.1148 -3.1148 -2.9965 -2.9965 0.9521 0.9521 1.3170 1.3170 2.0798 2.0798 2.2584 2.2584 2.3494 2.3494 2.5388 2.5388 2.8399 2.8399 2.9209 2.9209 3.3082 3.3082 3.5022 3.5022 3.9187 3.9187 4.0388 4.0388 4.1622 4.1622 4.2891 4.2891 4.4529 4.4529 4.7033 4.7033 4.9234 4.9234 5.2188 5.2188 5.2864 5.2864 5.4207 5.4207 5.5914 5.5914 5.6447 5.6447 5.7636 5.7636 6.0426 6.0426 6.1604 6.1604 6.5783 6.5783 7.1004 7.1004 7.6831 7.6831 8.1994 8.1994 8.4214 8.4214 8.9351 8.9351 9.1028 9.1028 9.3799 9.3799 9.5025 9.5025 9.6754 9.6754 k = 0.0000-0.2551 0.1322 ( 12698 PWs) bands (ev): -61.2210 -61.2210 -61.2142 -61.2142 -34.1298 -34.1298 -34.1019 -34.1019 -25.5736 -25.5736 -25.4389 -25.4389 -25.3745 -25.3745 -25.3613 -25.3613 -6.5878 -6.5878 -5.5815 -5.5815 -5.4183 -5.4183 -5.3066 -5.3066 -4.9792 -4.9792 -4.9526 -4.9526 -3.7400 -3.7400 -3.3973 -3.3973 -3.1194 -3.1194 -3.0091 -3.0091 0.9527 0.9527 1.2875 1.2875 2.0742 2.0742 2.2567 2.2567 2.3643 2.3643 2.5621 2.5621 2.8390 2.8390 2.9277 2.9277 3.2939 3.2939 3.4959 3.4959 3.9253 3.9253 4.0397 4.0397 4.1626 4.1626 4.2972 4.2972 4.4560 4.4560 4.7143 4.7143 4.9138 4.9138 5.2246 5.2246 5.3058 5.3058 5.4218 5.4218 5.5990 5.5990 5.6605 5.6605 5.7620 5.7620 6.0532 6.0532 6.1578 6.1578 6.5568 6.5568 7.1058 7.1058 7.7105 7.7105 8.2015 8.2015 8.3889 8.3889 8.9293 8.9293 9.0920 9.0920 9.3783 9.3783 9.5065 9.5065 9.6733 9.6733 k = 0.0000-0.2368 0.1228 ( 12699 PWs) bands (ev): -61.2210 -61.2210 -61.2142 -61.2142 -34.1298 -34.1298 -34.1019 -34.1019 -25.5736 -25.5736 -25.4389 -25.4389 -25.3745 -25.3745 -25.3613 -25.3613 -6.6012 -6.6012 -5.5685 -5.5685 -5.4061 -5.4061 -5.3039 -5.3039 -4.9785 -4.9785 -4.9527 -4.9527 -3.7302 -3.7302 -3.4097 -3.4097 -3.1254 -3.1254 -3.0219 -3.0219 0.9529 0.9529 1.2588 1.2588 2.0699 2.0699 2.2554 2.2554 2.3778 2.3778 2.5815 2.5815 2.8364 2.8364 2.9354 2.9354 3.2855 3.2855 3.4941 3.4941 3.9268 3.9268 4.0407 4.0407 4.1617 4.1617 4.3073 4.3073 4.4587 4.4587 4.7234 4.7234 4.9065 4.9065 5.2283 5.2283 5.3247 5.3247 5.4246 5.4246 5.6046 5.6046 5.6765 5.6765 5.7643 5.7643 6.0581 6.0581 6.1613 6.1613 6.5325 6.5325 7.1114 7.1114 7.7382 7.7382 8.2028 8.2028 8.3596 8.3596 8.9269 8.9269 9.0818 9.0818 9.3757 9.3757 9.5105 9.5105 9.6702 9.6702 k = 0.0000-0.2186 0.1133 ( 12694 PWs) bands (ev): -61.2210 -61.2210 -61.2142 -61.2142 -34.1298 -34.1298 -34.1019 -34.1019 -25.5736 -25.5736 -25.4389 -25.4389 -25.3745 -25.3745 -25.3613 -25.3613 -6.6143 -6.6143 -5.5567 -5.5567 -5.3934 -5.3934 -5.3005 -5.3005 -4.9778 -4.9778 -4.9528 -4.9528 -3.7199 -3.7199 -3.4217 -3.4217 -3.1333 -3.1333 -3.0344 -3.0344 0.9527 0.9527 1.2312 1.2312 2.0667 2.0667 2.2549 2.2549 2.3899 2.3899 2.5959 2.5959 2.8342 2.8342 2.9403 2.9403 3.2845 3.2845 3.4976 3.4976 3.9233 3.9233 4.0415 4.0415 4.1596 4.1596 4.3188 4.3188 4.4609 4.4609 4.7286 4.7286 4.9041 4.9041 5.2315 5.2315 5.3409 5.3409 5.4296 5.4296 5.6086 5.6086 5.6887 5.6887 5.7726 5.7726 6.0576 6.0576 6.1702 6.1702 6.5057 6.5057 7.1173 7.1173 7.7660 7.7660 8.2025 8.2025 8.3345 8.3345 8.9277 8.9277 9.0732 9.0732 9.3725 9.3725 9.5139 9.5139 9.6656 9.6656 k = 0.0000-0.2004 0.1039 ( 12696 PWs) bands (ev): -61.2210 -61.2210 -61.2142 -61.2142 -34.1298 -34.1298 -34.1019 -34.1019 -25.5736 -25.5736 -25.4389 -25.4389 -25.3745 -25.3745 -25.3613 -25.3613 -6.6270 -6.6270 -5.5462 -5.5462 -5.3806 -5.3806 -5.2962 -5.2962 -4.9769 -4.9769 -4.9529 -4.9529 -3.7094 -3.7094 -3.4329 -3.4329 -3.1430 -3.1430 -3.0461 -3.0461 0.9521 0.9521 1.2049 1.2049 2.0646 2.0646 2.2556 2.2556 2.4004 2.4004 2.6049 2.6049 2.8340 2.8340 2.9403 2.9403 3.2917 3.2917 3.5068 3.5068 3.9155 3.9155 4.0410 4.0410 4.1570 4.1570 4.3309 4.3309 4.4623 4.4623 4.7285 4.7285 4.9089 4.9089 5.2347 5.2347 5.3538 5.3538 5.4372 5.4372 5.6114 5.6114 5.6943 5.6943 5.7873 5.7873 6.0538 6.0538 6.1821 6.1821 6.4771 6.4771 7.1235 7.1235 7.7938 7.7938 8.1995 8.1995 8.3149 8.3149 8.9311 8.9311 9.0670 9.0670 9.3690 9.3690 9.5162 9.5162 9.6592 9.6592 k = 0.0000-0.1822 0.0945 ( 12703 PWs) bands (ev): -61.2210 -61.2210 -61.2142 -61.2142 -34.1298 -34.1298 -34.1019 -34.1019 -25.5736 -25.5736 -25.4389 -25.4389 -25.3745 -25.3745 -25.3613 -25.3613 -6.6390 -6.6390 -5.5369 -5.5369 -5.3684 -5.3684 -5.2907 -5.2907 -4.9759 -4.9759 -4.9530 -4.9530 -3.6988 -3.6988 -3.4431 -3.4431 -3.1546 -3.1546 -3.0568 -3.0568 0.9512 0.9512 1.1802 1.1802 2.0635 2.0635 2.2577 2.2577 2.4095 2.4095 2.6087 2.6087 2.8358 2.8358 2.9346 2.9346 3.3067 3.3067 3.5215 3.5215 3.9048 3.9048 4.0383 4.0383 4.1543 4.1543 4.3427 4.3427 4.4627 4.4627 4.7229 4.7229 4.9214 4.9214 5.2380 5.2380 5.3637 5.3637 5.4469 5.4469 5.6136 5.6136 5.6939 5.6939 5.8061 5.8061 6.0487 6.0487 6.1940 6.1940 6.4483 6.4483 7.1299 7.1299 7.8214 7.8214 8.1929 8.1929 8.3017 8.3017 8.9368 8.9368 9.0637 9.0637 9.3652 9.3652 9.5172 9.5172 9.6510 9.6510 k = 0.0000-0.1640 0.0850 ( 12699 PWs) bands (ev): -61.2210 -61.2210 -61.2142 -61.2142 -34.1298 -34.1298 -34.1019 -34.1019 -25.5736 -25.5736 -25.4389 -25.4389 -25.3745 -25.3745 -25.3613 -25.3613 -6.6503 -6.6503 -5.5289 -5.5289 -5.3576 -5.3576 -5.2839 -5.2839 -4.9748 -4.9748 -4.9530 -4.9530 -3.6883 -3.6883 -3.4520 -3.4520 -3.1680 -3.1680 -3.0663 -3.0663 0.9501 0.9501 1.1572 1.1572 2.0630 2.0630 2.2612 2.2612 2.4172 2.4172 2.6082 2.6082 2.8394 2.8394 2.9241 2.9241 3.3283 3.3283 3.5411 3.5411 3.8925 3.8925 4.0329 4.0329 4.1519 4.1519 4.3528 4.3528 4.4619 4.4619 4.7137 4.7137 4.9403 4.9403 5.2418 5.2418 5.3713 5.3713 5.4580 5.4580 5.6155 5.6155 5.6897 5.6897 5.8255 5.8255 6.0435 6.0435 6.2025 6.2025 6.4217 6.4217 7.1365 7.1365 7.8488 7.8488 8.1828 8.1828 8.2946 8.2946 8.9442 8.9442 9.0636 9.0636 9.3613 9.3613 9.5168 9.5168 9.6410 9.6410 k = 0.0000-0.1458 0.0756 ( 12697 PWs) bands (ev): -61.2210 -61.2210 -61.2142 -61.2142 -34.1298 -34.1298 -34.1019 -34.1019 -25.5736 -25.5736 -25.4389 -25.4389 -25.3745 -25.3745 -25.3613 -25.3613 -6.6607 -6.6607 -5.5220 -5.5220 -5.3487 -5.3487 -5.2758 -5.2758 -4.9737 -4.9737 -4.9531 -4.9531 -3.6784 -3.6784 -3.4594 -3.4594 -3.1828 -3.1828 -3.0746 -3.0746 0.9488 0.9488 1.1360 1.1360 2.0632 2.0632 2.2661 2.2661 2.4234 2.4234 2.6050 2.6050 2.8431 2.8431 2.9107 2.9107 3.3545 3.3545 3.5641 3.5641 3.8801 3.8801 4.0252 4.0252 4.1496 4.1496 4.3599 4.3599 4.4602 4.4602 4.7031 4.7031 4.9635 4.9635 5.2464 5.2464 5.3774 5.3774 5.4693 5.4693 5.6175 5.6175 5.6833 5.6833 5.8435 5.8435 6.0386 6.0386 6.2036 6.2036 6.4010 6.4010 7.1433 7.1433 7.8758 7.8758 8.1705 8.1705 8.2919 8.2919 8.9528 8.9528 9.0664 9.0664 9.3576 9.3576 9.5151 9.5151 9.6297 9.6298 k = 0.0000-0.1275 0.0661 ( 12700 PWs) bands (ev): -61.2210 -61.2210 -61.2142 -61.2142 -34.1298 -34.1298 -34.1019 -34.1019 -25.5736 -25.5736 -25.4389 -25.4389 -25.3745 -25.3745 -25.3613 -25.3613 -6.6701 -6.6701 -5.5161 -5.5161 -5.3416 -5.3416 -5.2668 -5.2668 -4.9725 -4.9725 -4.9532 -4.9532 -3.6692 -3.6692 -3.4648 -3.4648 -3.1985 -3.1985 -3.0818 -3.0818 0.9475 0.9475 1.1168 1.1168 2.0637 2.0637 2.2723 2.2723 2.4278 2.4278 2.6007 2.6007 2.8448 2.8448 2.8975 2.8975 3.3838 3.3838 3.5882 3.5882 3.8692 3.8692 4.0162 4.0162 4.1470 4.1470 4.3621 4.3621 4.4585 4.4585 4.6933 4.6933 4.9888 4.9888 5.2524 5.2524 5.3824 5.3824 5.4797 5.4797 5.6199 5.6199 5.6757 5.6757 5.8589 5.8589 6.0342 6.0342 6.1940 6.1940 6.3899 6.3899 7.1499 7.1499 7.9020 7.9020 8.1574 8.1574 8.2920 8.2920 8.9624 8.9624 9.0713 9.0713 9.3542 9.3542 9.5124 9.5124 9.6179 9.6179 k = 0.0000-0.1093 0.0567 ( 12697 PWs) bands (ev): -61.2210 -61.2210 -61.2142 -61.2142 -34.1298 -34.1298 -34.1019 -34.1019 -25.5736 -25.5736 -25.4389 -25.4389 -25.3745 -25.3745 -25.3613 -25.3613 -6.6784 -6.6784 -5.5111 -5.5111 -5.3363 -5.3363 -5.2574 -5.2574 -4.9713 -4.9713 -4.9532 -4.9532 -3.6610 -3.6610 -3.4684 -3.4684 -3.2144 -3.2144 -3.0879 -3.0879 0.9463 0.9463 1.0996 1.0996 2.0646 2.0646 2.2796 2.2796 2.4304 2.4304 2.5968 2.5968 2.8407 2.8407 2.8888 2.8888 3.4145 3.4145 3.6107 3.6107 3.8617 3.8617 4.0073 4.0073 4.1435 4.1435 4.3577 4.3577 4.4581 4.4581 4.6854 4.6854 5.0140 5.0140 5.2602 5.2602 5.3866 5.3866 5.4878 5.4878 5.6234 5.6234 5.6680 5.6680 5.8714 5.8714 6.0302 6.0302 6.1740 6.1740 6.3884 6.3884 7.1564 7.1564 7.9269 7.9269 8.1448 8.1448 8.2934 8.2934 8.9729 8.9729 9.0771 9.0771 9.3514 9.3514 9.5094 9.5094 9.6060 9.6060 k = 0.0000-0.0911 0.0472 ( 12690 PWs) bands (ev): -61.2210 -61.2210 -61.2142 -61.2142 -34.1298 -34.1298 -34.1019 -34.1019 -25.5736 -25.5736 -25.4389 -25.4389 -25.3745 -25.3745 -25.3613 -25.3613 -6.6855 -6.6855 -5.5069 -5.5069 -5.3324 -5.3324 -5.2483 -5.2483 -4.9701 -4.9701 -4.9533 -4.9533 -3.6541 -3.6541 -3.4699 -3.4699 -3.2299 -3.2299 -3.0930 -3.0930 0.9453 0.9453 1.0847 1.0847 2.0655 2.0655 2.2875 2.2875 2.4309 2.4309 2.5941 2.5941 2.8295 2.8295 2.8867 2.8867 3.4456 3.4456 3.6279 3.6279 3.8591 3.8591 4.0003 4.0003 4.1386 4.1386 4.3466 4.3466 4.4596 4.4596 4.6797 4.6797 5.0374 5.0374 5.2704 5.2704 5.3903 5.3903 5.4927 5.4927 5.6284 5.6284 5.6609 5.6609 5.8806 5.8806 6.0266 6.0266 6.1475 6.1475 6.3937 6.3937 7.1624 7.1624 7.9499 7.9499 8.1333 8.1333 8.2951 8.2951 8.9840 8.9840 9.0825 9.0825 9.3493 9.3493 9.5064 9.5064 9.5948 9.5948 k = 0.0000-0.0729 0.0378 ( 12691 PWs) bands (ev): -61.2210 -61.2210 -61.2142 -61.2142 -34.1298 -34.1298 -34.1019 -34.1019 -25.5736 -25.5736 -25.4389 -25.4389 -25.3745 -25.3745 -25.3613 -25.3613 -6.6915 -6.6915 -5.5036 -5.5036 -5.3295 -5.3295 -5.2402 -5.2402 -4.9691 -4.9691 -4.9533 -4.9533 -3.6486 -3.6486 -3.4697 -3.4697 -3.2444 -3.2444 -3.0972 -3.0972 0.9444 0.9444 1.0722 1.0722 2.0665 2.0665 2.2956 2.2956 2.4294 2.4294 2.5934 2.5934 2.8146 2.8146 2.8886 2.8886 3.4761 3.4761 3.6370 3.6370 3.8616 3.8616 3.9979 3.9979 4.1315 4.1315 4.3307 4.3307 4.4625 4.4625 4.6762 4.6762 5.0574 5.0574 5.2829 5.2829 5.3935 5.3935 5.4935 5.4935 5.6351 5.6351 5.6550 5.6550 5.8862 5.8862 6.0237 6.0237 6.1192 6.1192 6.4019 6.4019 7.1678 7.1678 7.9703 7.9703 8.1233 8.1233 8.2968 8.2968 8.9957 8.9957 9.0862 9.0862 9.3481 9.3481 9.5039 9.5039 9.5848 9.5848 k = 0.0000-0.0547 0.0283 ( 12696 PWs) bands (ev): -61.2210 -61.2210 -61.2142 -61.2142 -34.1298 -34.1298 -34.1019 -34.1019 -25.5736 -25.5736 -25.4389 -25.4389 -25.3745 -25.3745 -25.3613 -25.3613 -6.6961 -6.6961 -5.5010 -5.5010 -5.3274 -5.3274 -5.2334 -5.2334 -4.9681 -4.9681 -4.9533 -4.9533 -3.6445 -3.6445 -3.4683 -3.4683 -3.2571 -3.2571 -3.1005 -3.1005 0.9439 0.9439 1.0622 1.0622 2.0674 2.0674 2.3034 2.3034 2.4266 2.4266 2.5943 2.5943 2.7998 2.7998 2.8916 2.8916 3.5050 3.5050 3.6376 3.6376 3.8667 3.8667 4.0029 4.0029 4.1211 4.1211 4.3131 4.3131 4.4658 4.4658 4.6742 4.6742 5.0729 5.0729 5.2968 5.2968 5.3967 5.3967 5.4902 5.4902 5.6422 5.6422 5.6512 5.6512 5.8881 5.8881 6.0225 6.0225 6.0927 6.0927 6.4103 6.4103 7.1723 7.1723 7.9875 7.9875 8.1151 8.1151 8.2981 8.2981 9.0074 9.0074 9.0875 9.0875 9.3477 9.3477 9.5022 9.5022 9.5763 9.5763 k = 0.0000-0.0364 0.0189 ( 12696 PWs) bands (ev): -61.2210 -61.2210 -61.2142 -61.2142 -34.1298 -34.1298 -34.1019 -34.1019 -25.5736 -25.5736 -25.4389 -25.4389 -25.3745 -25.3745 -25.3613 -25.3613 -6.6995 -6.6995 -5.4992 -5.4992 -5.3261 -5.3261 -5.2284 -5.2284 -4.9674 -4.9674 -4.9533 -4.9533 -3.6418 -3.6418 -3.4663 -3.4663 -3.2670 -3.2670 -3.1029 -3.1029 0.9435 0.9435 1.0548 1.0548 2.0681 2.0681 2.3100 2.3100 2.4232 2.4232 2.5963 2.5963 2.7875 2.7875 2.8943 2.8943 3.5310 3.5310 3.6312 3.6312 3.8711 3.8711 4.0165 4.0165 4.1067 4.1067 4.2974 4.2974 4.4686 4.4686 4.6733 4.6733 5.0837 5.0837 5.3100 5.3100 5.4000 5.4000 5.4843 5.4843 5.6442 5.6442 5.6540 5.6540 5.8868 5.8868 6.0241 6.0241 6.0701 6.0701 6.4172 6.4172 7.1757 7.1757 8.0006 8.0006 8.1089 8.1089 8.2991 8.2991 9.0180 9.0180 9.0865 9.0865 9.3479 9.3479 9.5012 9.5012 9.5699 9.5699 k = 0.0000-0.0182 0.0094 ( 12690 PWs) bands (ev): -61.2210 -61.2210 -61.2142 -61.2142 -34.1298 -34.1298 -34.1019 -34.1019 -25.5736 -25.5736 -25.4389 -25.4389 -25.3745 -25.3745 -25.3613 -25.3613 -6.7015 -6.7015 -5.4981 -5.4981 -5.3253 -5.3253 -5.2254 -5.2254 -4.9670 -4.9670 -4.9533 -4.9533 -3.6402 -3.6402 -3.4647 -3.4647 -3.2734 -3.2734 -3.1043 -3.1043 0.9433 0.9433 1.0504 1.0504 2.0685 2.0685 2.3146 2.3146 2.4205 2.4205 2.5981 2.5981 2.7793 2.7793 2.8961 2.8961 3.5519 3.5519 3.6216 3.6216 3.8733 3.8733 4.0366 4.0366 4.0882 4.0882 4.2866 4.2866 4.4704 4.4704 4.6730 4.6730 5.0900 5.0900 5.3196 5.3196 5.4032 5.4032 5.4783 5.4783 5.6429 5.6429 5.6595 5.6595 5.8843 5.8843 6.0294 6.0294 6.0522 6.0522 6.4217 6.4217 7.1778 7.1778 8.0088 8.0088 8.1050 8.1050 8.2996 8.2996 9.0260 9.0260 9.0844 9.0844 9.3483 9.3483 9.5009 9.5009 9.5658 9.5658 k = 0.0000 0.0000 0.0000 ( 12695 PWs) bands (ev): -61.2210 -61.2210 -61.2142 -61.2142 -34.1298 -34.1298 -34.1019 -34.1019 -25.5736 -25.5736 -25.4389 -25.4389 -25.3745 -25.3745 -25.3613 -25.3613 -6.7022 -6.7022 -5.4977 -5.4977 -5.3250 -5.3250 -5.2243 -5.2243 -4.9668 -4.9668 -4.9533 -4.9533 -3.6397 -3.6397 -3.4640 -3.4640 -3.2756 -3.2756 -3.1048 -3.1048 0.9433 0.9433 1.0489 1.0489 2.0687 2.0687 2.3162 2.3162 2.4195 2.4195 2.5988 2.5988 2.7764 2.7764 2.8967 2.8967 3.5610 3.5610 3.6161 3.6161 3.8738 3.8738 4.0525 4.0525 4.0733 4.0733 4.2828 4.2828 4.4711 4.4711 4.6730 4.6730 5.0921 5.0921 5.3231 5.3231 5.4046 5.4046 5.4757 5.4757 5.6424 5.6424 5.6617 5.6617 5.8830 5.8830 6.0375 6.0375 6.0399 6.0399 6.4233 6.4233 7.1785 7.1785 8.0116 8.0116 8.1036 8.1036 8.2998 8.2998 9.0291 9.0291 9.0833 9.0833 9.3484 9.3484 9.5008 9.5008 9.5644 9.5644 Writing output data file TaTe4I.save init_run : 0.61s CPU 0.74s WALL ( 1 calls) electrons : 830.39s CPU 836.20s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.05s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 830.38s CPU 836.19s 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 : 0.20s CPU 0.24s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.09s CPU 0.13s WALL ( 194 calls) cegterg : 791.46s CPU 796.42s WALL ( 533 calls) Called by sum_band: Called by *egterg: h_psi : 397.27s CPU 401.68s WALL ( 9453 calls) s_psi : 40.87s CPU 40.79s WALL ( 9453 calls) g_psi : 0.68s CPU 0.62s WALL ( 8726 calls) cdiaghg : 296.74s CPU 297.51s WALL ( 8920 calls) cegterg:over : 37.73s CPU 37.81s WALL ( 8726 calls) cegterg:upda : 25.68s CPU 25.79s WALL ( 8726 calls) cegterg:last : 14.24s CPU 14.21s WALL ( 1115 calls) cdiaghg:chol : 11.76s CPU 11.73s WALL ( 8920 calls) cdiaghg:inve : 9.01s CPU 9.08s WALL ( 8920 calls) cdiaghg:para : 20.34s CPU 20.46s WALL ( 17840 calls) Called by h_psi: h_psi:vloc : 322.50s CPU 326.86s WALL ( 9453 calls) h_psi:vnl : 73.97s CPU 74.06s WALL ( 9453 calls) add_vuspsi : 38.93s CPU 39.07s WALL ( 9453 calls) General routines calbec : 34.98s CPU 34.95s WALL ( 9453 calls) fft : 0.01s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 309.10s CPU 313.90s WALL ( 1371248 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.17s CPU 0.41s WALL ( 388 calls) Parallel routines fft_scatter : 223.09s CPU 227.14s WALL ( 1371271 calls) PWSCF : 15m 1.35s CPU 15m23.09s WALL This run was terminated on: 5:58:47 1Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=