Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19:41: 9 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 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 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: ./NaInO2.save/ file In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D 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: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 45 37 11 911 679 110 Max 46 38 12 914 693 112 Sum 1647 1357 405 32843 24671 3989 bravais-lattice index = 14 lattice parameter (alat) = 10.9098 a.u. unit-cell volume = 333.5243 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 34.00 number of Kohn-Sham states= 42 kinetic-energy cutoff = 67.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.909785 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.843297 celldm(5)= 0.843297 celldm(6)= 0.843297 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.843297 0.537448 0.000000 ) a(3) = ( 0.843297 0.245879 0.477906 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.569075 -0.957288 ) b(2) = ( 0.000000 1.860644 -0.957288 ) b(3) = ( 0.000000 0.000000 2.092462 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 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 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for In read from file: /users/gautes/Pseudo/In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 52ff8a85f9af3f41268f91f861ab85bf Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1241 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Na read from file: /users/gautes/Pseudo/Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 13bcaa2858b974004ed12db349b14e76 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1121 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) In 13.00 114.81800 In( 1.00) Na 9.00 22.98980 Na( 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= 376 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026596 k( 2) = ( 0.0087719 -0.0137638 -0.0083973), wk = 0.0026596 k( 3) = ( 0.0175439 -0.0275276 -0.0167945), wk = 0.0026596 k( 4) = ( 0.0263158 -0.0412915 -0.0251918), wk = 0.0026596 k( 5) = ( 0.0350877 -0.0550553 -0.0335891), wk = 0.0026596 k( 6) = ( 0.0438597 -0.0688191 -0.0419863), wk = 0.0026596 k( 7) = ( 0.0526316 -0.0825829 -0.0503836), wk = 0.0026596 k( 8) = ( 0.0614035 -0.0963467 -0.0587809), wk = 0.0026596 k( 9) = ( 0.0701754 -0.1101106 -0.0671781), wk = 0.0026596 k( 10) = ( 0.0789474 -0.1238744 -0.0755754), wk = 0.0026596 k( 11) = ( 0.0877193 -0.1376382 -0.0839727), wk = 0.0026596 k( 12) = ( 0.0964912 -0.1514020 -0.0923699), wk = 0.0026596 k( 13) = ( 0.1052632 -0.1651658 -0.1007672), wk = 0.0026596 k( 14) = ( 0.1140351 -0.1789296 -0.1091645), wk = 0.0026596 k( 15) = ( 0.1228070 -0.1926935 -0.1175617), wk = 0.0026596 k( 16) = ( 0.1315790 -0.2064573 -0.1259590), wk = 0.0026596 k( 17) = ( 0.1403509 -0.2202211 -0.1343563), wk = 0.0026596 k( 18) = ( 0.1491228 -0.2339849 -0.1427535), wk = 0.0026596 k( 19) = ( 0.1578947 -0.2477487 -0.1511508), wk = 0.0026596 k( 20) = ( 0.1666667 -0.2615126 -0.1595481), wk = 0.0026596 k( 21) = ( 0.1754386 -0.2752764 -0.1679453), wk = 0.0026596 k( 22) = ( 0.1842105 -0.2890402 -0.1763426), wk = 0.0026596 k( 23) = ( 0.1929825 -0.3028040 -0.1847399), wk = 0.0026596 k( 24) = ( 0.2017544 -0.3165678 -0.1931371), wk = 0.0026596 k( 25) = ( 0.2105263 -0.3303317 -0.2015344), wk = 0.0026596 k( 26) = ( 0.2192983 -0.3440955 -0.2099317), wk = 0.0026596 k( 27) = ( 0.2280702 -0.3578593 -0.2183289), wk = 0.0026596 k( 28) = ( 0.2368421 -0.3716231 -0.2267262), wk = 0.0026596 k( 29) = ( 0.2456140 -0.3853869 -0.2351235), wk = 0.0026596 k( 30) = ( 0.2543860 -0.3991507 -0.2435207), wk = 0.0026596 k( 31) = ( 0.2631579 -0.4129145 -0.2519180), wk = 0.0026596 k( 32) = ( 0.2719298 -0.4266784 -0.2603153), wk = 0.0026596 k( 33) = ( 0.2807018 -0.4404422 -0.2687125), wk = 0.0026596 k( 34) = ( 0.2894737 -0.4542060 -0.2771098), wk = 0.0026596 k( 35) = ( 0.2982456 -0.4679698 -0.2855071), wk = 0.0026596 k( 36) = ( 0.3070175 -0.4817336 -0.2939043), wk = 0.0026596 k( 37) = ( 0.3157895 -0.4954975 -0.3023016), wk = 0.0026596 k( 38) = ( 0.3245614 -0.5092613 -0.3106989), wk = 0.0026596 k( 39) = ( 0.3333333 -0.5230251 -0.3190961), wk = 0.0026596 k( 40) = ( 0.3421053 -0.5367889 -0.3274934), wk = 0.0026596 k( 41) = ( 0.3508772 -0.5505527 -0.3358907), wk = 0.0026596 k( 42) = ( 0.3596491 -0.5643166 -0.3442879), wk = 0.0026596 k( 43) = ( 0.3684211 -0.5780804 -0.3526852), wk = 0.0026596 k( 44) = ( 0.3771930 -0.5918442 -0.3610825), wk = 0.0026596 k( 45) = ( 0.3859649 -0.6056080 -0.3694797), wk = 0.0026596 k( 46) = ( 0.3947368 -0.6193718 -0.3778770), wk = 0.0026596 k( 47) = ( 0.4035088 -0.6331356 -0.3862743), wk = 0.0026596 k( 48) = ( 0.4122807 -0.6468995 -0.3946715), wk = 0.0026596 k( 49) = ( 0.4210526 -0.6606633 -0.4030688), wk = 0.0026596 k( 50) = ( 0.4298246 -0.6744271 -0.4114661), wk = 0.0026596 k( 51) = ( 0.4385965 -0.6881909 -0.4198633), wk = 0.0026596 k( 52) = ( 0.4473684 -0.7019547 -0.4282606), wk = 0.0026596 k( 53) = ( 0.4561404 -0.7157186 -0.4366579), wk = 0.0026596 k( 54) = ( 0.4649123 -0.7294824 -0.4450551), wk = 0.0026596 k( 55) = ( 0.4736842 -0.7432462 -0.4534524), wk = 0.0026596 k( 56) = ( 0.4824561 -0.7570100 -0.4618497), wk = 0.0026596 k( 57) = ( 0.4912281 -0.7707738 -0.4702469), wk = 0.0026596 k( 58) = ( 0.5000000 -0.7845377 -0.4786442), wk = 0.0026596 k( 59) = ( 0.5000000 -0.7845377 -0.4786442), wk = 0.0026596 k( 60) = ( 0.5000000 -0.7751787 -0.4939844), wk = 0.0026596 k( 61) = ( 0.5000000 -0.7658196 -0.5093246), wk = 0.0026596 k( 62) = ( 0.5000000 -0.7564606 -0.5246648), wk = 0.0026596 k( 63) = ( 0.5000000 -0.7471016 -0.5400050), wk = 0.0026596 k( 64) = ( 0.5000000 -0.7377426 -0.5553451), wk = 0.0026596 k( 65) = ( 0.5000000 -0.7283836 -0.5706853), wk = 0.0026596 k( 66) = ( 0.5000000 -0.7190246 -0.5860255), wk = 0.0026596 k( 67) = ( 0.5000000 -0.7096656 -0.6013657), wk = 0.0026596 k( 68) = ( 0.5000000 -0.7003066 -0.6167059), wk = 0.0026596 k( 69) = ( 0.5000000 -0.6909476 -0.6320461), wk = 0.0026596 k( 70) = ( 0.5000000 -0.6815886 -0.6473863), wk = 0.0026596 k( 71) = ( 0.5000000 -0.6722296 -0.6627265), wk = 0.0026596 k( 72) = ( 0.5000000 -0.6628706 -0.6780667), wk = 0.0026596 k( 73) = ( 0.5000000 -0.6535116 -0.6934068), wk = 0.0026596 k( 74) = ( 0.5000000 -0.6441526 -0.7087470), wk = 0.0026596 k( 75) = ( 0.5000000 -0.6347936 -0.7240872), wk = 0.0026596 k( 76) = ( 0.5000000 -0.6254346 -0.7394274), wk = 0.0026596 k( 77) = ( 0.5000000 -0.6160756 -0.7547676), wk = 0.0026596 k( 78) = ( 0.5000000 -0.6067166 -0.7701078), wk = 0.0026596 k( 79) = ( 0.5000000 -0.5973576 -0.7854479), wk = 0.0026596 k( 80) = ( 0.5000000 -0.5879985 -0.8007882), wk = 0.0026596 k( 81) = ( 0.5000000 -0.5786395 -0.8161283), wk = 0.0026596 k( 82) = ( 0.5000000 -0.5692805 -0.8314685), wk = 0.0026596 k( 83) = ( 0.5000000 -0.5599215 -0.8468087), wk = 0.0026596 k( 84) = ( 0.5000000 -0.5505625 -0.8621489), wk = 0.0026596 k( 85) = ( 0.5000000 -0.5412035 -0.8774891), wk = 0.0026596 k( 86) = ( 0.5000000 -0.5318445 -0.8928293), wk = 0.0026596 k( 87) = ( 0.5000000 -0.5224855 -0.9081695), wk = 0.0026596 k( 88) = ( 0.5000000 -0.5131265 -0.9235096), wk = 0.0026596 k( 89) = ( 0.5000000 -0.5037675 -0.9388498), wk = 0.0026596 k( 90) = ( 0.5000000 -0.4944085 -0.9541900), wk = 0.0026596 k( 91) = ( 0.5000000 -0.4850495 -0.9695302), wk = 0.0026596 k( 92) = ( 0.5000000 -0.4756905 -0.9848704), wk = 0.0026596 k( 93) = ( 0.5000000 -0.4663315 -1.0002106), wk = 0.0026596 k( 94) = ( 0.5000000 -0.4569725 -1.0155508), wk = 0.0026596 k( 95) = ( 0.5000000 -0.4476135 -1.0308910), wk = 0.0026596 k( 96) = ( 0.5000000 -0.4382545 -1.0462312), wk = 0.0026596 k( 97) = ( 0.8138907 -0.3467337 -0.8683457), wk = 0.0026596 k( 98) = ( 0.8088280 -0.3387898 -0.8529056), wk = 0.0026596 k( 99) = ( 0.8037652 -0.3308460 -0.8374655), wk = 0.0026596 k( 100) = ( 0.7987024 -0.3229021 -0.8220253), wk = 0.0026596 k( 101) = ( 0.7936397 -0.3149583 -0.8065852), wk = 0.0026596 k( 102) = ( 0.7885770 -0.3070145 -0.7911450), wk = 0.0026596 k( 103) = ( 0.7835142 -0.2990706 -0.7757049), wk = 0.0026596 k( 104) = ( 0.7784514 -0.2911268 -0.7602648), wk = 0.0026596 k( 105) = ( 0.7733887 -0.2831829 -0.7448246), wk = 0.0026596 k( 106) = ( 0.7683259 -0.2752391 -0.7293845), wk = 0.0026596 k( 107) = ( 0.7632632 -0.2672952 -0.7139444), wk = 0.0026596 k( 108) = ( 0.7582004 -0.2593514 -0.6985042), wk = 0.0026596 k( 109) = ( 0.7531377 -0.2514076 -0.6830641), wk = 0.0026596 k( 110) = ( 0.7480749 -0.2434637 -0.6676239), wk = 0.0026596 k( 111) = ( 0.7430122 -0.2355199 -0.6521838), wk = 0.0026596 k( 112) = ( 0.7379494 -0.2275760 -0.6367437), wk = 0.0026596 k( 113) = ( 0.7328867 -0.2196322 -0.6213035), wk = 0.0026596 k( 114) = ( 0.7278239 -0.2116883 -0.6058634), wk = 0.0026596 k( 115) = ( 0.7227611 -0.2037445 -0.5904233), wk = 0.0026596 k( 116) = ( 0.7176984 -0.1958007 -0.5749831), wk = 0.0026596 k( 117) = ( 0.7126356 -0.1878568 -0.5595430), wk = 0.0026596 k( 118) = ( 0.7075729 -0.1799130 -0.5441029), wk = 0.0026596 k( 119) = ( 0.7025101 -0.1719692 -0.5286627), wk = 0.0026596 k( 120) = ( 0.6974474 -0.1640253 -0.5132226), wk = 0.0026596 k( 121) = ( 0.6923846 -0.1560815 -0.4977824), wk = 0.0026596 k( 122) = ( 0.6873219 -0.1481376 -0.4823423), wk = 0.0026596 k( 123) = ( 0.6822591 -0.1401938 -0.4669022), wk = 0.0026596 k( 124) = ( 0.6771964 -0.1322499 -0.4514620), wk = 0.0026596 k( 125) = ( 0.6721336 -0.1243061 -0.4360219), wk = 0.0026596 k( 126) = ( 0.6670709 -0.1163623 -0.4205818), wk = 0.0026596 k( 127) = ( 0.6620081 -0.1084184 -0.4051416), wk = 0.0026596 k( 128) = ( 0.6569454 -0.1004746 -0.3897015), wk = 0.0026596 k( 129) = ( 0.6518826 -0.0925307 -0.3742614), wk = 0.0026596 k( 130) = ( 0.6468198 -0.0845869 -0.3588212), wk = 0.0026596 k( 131) = ( 0.6417571 -0.0766431 -0.3433811), wk = 0.0026596 k( 132) = ( 0.6366943 -0.0686992 -0.3279409), wk = 0.0026596 k( 133) = ( 0.6316316 -0.0607554 -0.3125008), wk = 0.0026596 k( 134) = ( 0.6265688 -0.0528115 -0.2970607), wk = 0.0026596 k( 135) = ( 0.6215061 -0.0448677 -0.2816205), wk = 0.0026596 k( 136) = ( 0.6164433 -0.0369238 -0.2661804), wk = 0.0026596 k( 137) = ( 0.6113806 -0.0289800 -0.2507403), wk = 0.0026596 k( 138) = ( 0.6063178 -0.0210362 -0.2353001), wk = 0.0026596 k( 139) = ( 0.6012551 -0.0130923 -0.2198600), wk = 0.0026596 k( 140) = ( 0.5961923 -0.0051485 -0.2044199), wk = 0.0026596 k( 141) = ( 0.5911296 0.0027954 -0.1889797), wk = 0.0026596 k( 142) = ( 0.5860668 0.0107392 -0.1735396), wk = 0.0026596 k( 143) = ( 0.5810040 0.0186831 -0.1580994), wk = 0.0026596 k( 144) = ( 0.5759413 0.0266269 -0.1426593), wk = 0.0026596 k( 145) = ( 0.5708785 0.0345707 -0.1272192), wk = 0.0026596 k( 146) = ( 0.5658158 0.0425146 -0.1117790), wk = 0.0026596 k( 147) = ( 0.5607530 0.0504584 -0.0963389), wk = 0.0026596 k( 148) = ( 0.5556903 0.0584023 -0.0808988), wk = 0.0026596 k( 149) = ( 0.5506275 0.0663461 -0.0654586), wk = 0.0026596 k( 150) = ( 0.5455648 0.0742899 -0.0500185), wk = 0.0026596 k( 151) = ( 0.5405020 0.0822338 -0.0345784), wk = 0.0026596 k( 152) = ( 0.5354393 0.0901776 -0.0191382), wk = 0.0026596 k( 153) = ( 0.5303765 0.0981215 -0.0036981), wk = 0.0026596 k( 154) = ( 0.5253138 0.1060653 0.0117420), wk = 0.0026596 k( 155) = ( 0.5202510 0.1140092 0.0271822), wk = 0.0026596 k( 156) = ( 0.5151883 0.1219530 0.0426223), wk = 0.0026596 k( 157) = ( 0.5101255 0.1298968 0.0580624), wk = 0.0026596 k( 158) = ( 0.5050628 0.1378407 0.0735026), wk = 0.0026596 k( 159) = ( 0.5000000 0.1457845 0.0889427), wk = 0.0026596 k( 160) = ( 0.5000000 0.1457845 0.0889427), wk = 0.0026596 k( 161) = ( 0.4827586 0.1407575 0.0858757), wk = 0.0026596 k( 162) = ( 0.4655172 0.1357304 0.0828087), wk = 0.0026596 k( 163) = ( 0.4482759 0.1307034 0.0797417), wk = 0.0026596 k( 164) = ( 0.4310345 0.1256763 0.0766748), wk = 0.0026596 k( 165) = ( 0.4137931 0.1206492 0.0736078), wk = 0.0026596 k( 166) = ( 0.3965517 0.1156222 0.0705408), wk = 0.0026596 k( 167) = ( 0.3793103 0.1105951 0.0674738), wk = 0.0026596 k( 168) = ( 0.3620690 0.1055681 0.0644068), wk = 0.0026596 k( 169) = ( 0.3448276 0.1005410 0.0613398), wk = 0.0026596 k( 170) = ( 0.3275862 0.0955140 0.0582728), wk = 0.0026596 k( 171) = ( 0.3103448 0.0904869 0.0552058), wk = 0.0026596 k( 172) = ( 0.2931034 0.0854599 0.0521388), wk = 0.0026596 k( 173) = ( 0.2758621 0.0804328 0.0490718), wk = 0.0026596 k( 174) = ( 0.2586207 0.0754058 0.0460049), wk = 0.0026596 k( 175) = ( 0.2413793 0.0703787 0.0429379), wk = 0.0026596 k( 176) = ( 0.2241379 0.0653517 0.0398709), wk = 0.0026596 k( 177) = ( 0.2068966 0.0603246 0.0368039), wk = 0.0026596 k( 178) = ( 0.1896552 0.0552976 0.0337369), wk = 0.0026596 k( 179) = ( 0.1724138 0.0502705 0.0306699), wk = 0.0026596 k( 180) = ( 0.1551724 0.0452435 0.0276029), wk = 0.0026596 k( 181) = ( 0.1379310 0.0402164 0.0245359), wk = 0.0026596 k( 182) = ( 0.1206897 0.0351894 0.0214689), wk = 0.0026596 k( 183) = ( 0.1034483 0.0301623 0.0184019), wk = 0.0026596 k( 184) = ( 0.0862069 0.0251353 0.0153350), wk = 0.0026596 k( 185) = ( 0.0689655 0.0201082 0.0122680), wk = 0.0026596 k( 186) = ( 0.0517241 0.0150812 0.0092010), wk = 0.0026596 k( 187) = ( 0.0344828 0.0100541 0.0061340), wk = 0.0026596 k( 188) = ( 0.0172414 0.0050271 0.0030670), wk = 0.0026596 k( 189) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026596 k( 190) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026596 k( 191) = ( 0.0051202 -0.0080340 -0.0156154), wk = 0.0026596 k( 192) = ( 0.0102404 -0.0160680 -0.0312308), wk = 0.0026596 k( 193) = ( 0.0153607 -0.0241020 -0.0468462), wk = 0.0026596 k( 194) = ( 0.0204809 -0.0321360 -0.0624615), wk = 0.0026596 k( 195) = ( 0.0256011 -0.0401700 -0.0780769), wk = 0.0026596 k( 196) = ( 0.0307213 -0.0482040 -0.0936923), wk = 0.0026596 k( 197) = ( 0.0358415 -0.0562381 -0.1093077), wk = 0.0026596 k( 198) = ( 0.0409617 -0.0642721 -0.1249231), wk = 0.0026596 k( 199) = ( 0.0460820 -0.0723061 -0.1405385), wk = 0.0026596 k( 200) = ( 0.0512022 -0.0803401 -0.1561539), wk = 0.0026596 k( 201) = ( 0.0563224 -0.0883741 -0.1717693), wk = 0.0026596 k( 202) = ( 0.0614426 -0.0964081 -0.1873847), wk = 0.0026596 k( 203) = ( 0.0665628 -0.1044421 -0.2030001), wk = 0.0026596 k( 204) = ( 0.0716831 -0.1124761 -0.2186155), wk = 0.0026596 k( 205) = ( 0.0768033 -0.1205101 -0.2342309), wk = 0.0026596 k( 206) = ( 0.0819235 -0.1285441 -0.2498463), wk = 0.0026596 k( 207) = ( 0.0870437 -0.1365782 -0.2654616), wk = 0.0026596 k( 208) = ( 0.0921639 -0.1446121 -0.2810770), wk = 0.0026596 k( 209) = ( 0.0972841 -0.1526462 -0.2966924), wk = 0.0026596 k( 210) = ( 0.1024044 -0.1606802 -0.3123078), wk = 0.0026596 k( 211) = ( 0.1075246 -0.1687142 -0.3279232), wk = 0.0026596 k( 212) = ( 0.1126448 -0.1767482 -0.3435386), wk = 0.0026596 k( 213) = ( 0.1177650 -0.1847822 -0.3591540), wk = 0.0026596 k( 214) = ( 0.1228853 -0.1928162 -0.3747694), wk = 0.0026596 k( 215) = ( 0.1280055 -0.2008502 -0.3903847), wk = 0.0026596 k( 216) = ( 0.1331257 -0.2088842 -0.4060001), wk = 0.0026596 k( 217) = ( 0.1382459 -0.2169182 -0.4216155), wk = 0.0026596 k( 218) = ( 0.1433661 -0.2249522 -0.4372309), wk = 0.0026596 k( 219) = ( 0.1484863 -0.2329863 -0.4528463), wk = 0.0026596 k( 220) = ( 0.1536066 -0.2410203 -0.4684617), wk = 0.0026596 k( 221) = ( 0.1587268 -0.2490543 -0.4840771), wk = 0.0026596 k( 222) = ( 0.1638470 -0.2570883 -0.4996925), wk = 0.0026596 k( 223) = ( 0.1689672 -0.2651223 -0.5153079), wk = 0.0026596 k( 224) = ( 0.1740874 -0.2731563 -0.5309233), wk = 0.0026596 k( 225) = ( 0.1792076 -0.2811903 -0.5465387), wk = 0.0026596 k( 226) = ( 0.1843279 -0.2892243 -0.5621541), wk = 0.0026596 k( 227) = ( 0.1894481 -0.2972583 -0.5777695), wk = 0.0026596 k( 228) = ( 0.1945683 -0.3052923 -0.5933848), wk = 0.0026596 k( 229) = ( 0.1996885 -0.3133263 -0.6090002), wk = 0.0026596 k( 230) = ( 0.2048087 -0.3213603 -0.6246156), wk = 0.0026596 k( 231) = ( 0.2099290 -0.3293943 -0.6402310), wk = 0.0026596 k( 232) = ( 0.2150492 -0.3374284 -0.6558464), wk = 0.0026596 k( 233) = ( 0.2201694 -0.3454624 -0.6714618), wk = 0.0026596 k( 234) = ( 0.2252896 -0.3534964 -0.6870772), wk = 0.0026596 k( 235) = ( 0.2304098 -0.3615304 -0.7026926), wk = 0.0026596 k( 236) = ( 0.2355300 -0.3695644 -0.7183079), wk = 0.0026596 k( 237) = ( 0.2406503 -0.3775984 -0.7339233), wk = 0.0026596 k( 238) = ( 0.2457705 -0.3856324 -0.7495387), wk = 0.0026596 k( 239) = ( 0.2508907 -0.3936664 -0.7651541), wk = 0.0026596 k( 240) = ( 0.2560109 -0.4017004 -0.7807695), wk = 0.0026596 k( 241) = ( 0.2611311 -0.4097344 -0.7963849), wk = 0.0026596 k( 242) = ( 0.2662514 -0.4177685 -0.8120003), wk = 0.0026596 k( 243) = ( 0.2713716 -0.4258024 -0.8276157), wk = 0.0026596 k( 244) = ( 0.2764918 -0.4338365 -0.8432311), wk = 0.0026596 k( 245) = ( 0.2816120 -0.4418705 -0.8588465), wk = 0.0026596 k( 246) = ( 0.2867322 -0.4499045 -0.8744619), wk = 0.0026596 k( 247) = ( 0.2918525 -0.4579385 -0.8900773), wk = 0.0026596 k( 248) = ( 0.2969727 -0.4659725 -0.9056926), wk = 0.0026596 k( 249) = ( 0.3020929 -0.4740065 -0.9213080), wk = 0.0026596 k( 250) = ( 0.3072131 -0.4820405 -0.9369234), wk = 0.0026596 k( 251) = ( 0.3123333 -0.4900745 -0.9525388), wk = 0.0026596 k( 252) = ( 0.3174535 -0.4981085 -0.9681542), wk = 0.0026596 k( 253) = ( 0.3225738 -0.5061425 -0.9837696), wk = 0.0026596 k( 254) = ( 0.3276940 -0.5141765 -0.9993850), wk = 0.0026596 k( 255) = ( 0.3328142 -0.5222106 -1.0150004), wk = 0.0026596 k( 256) = ( 0.3379344 -0.5302446 -1.0306158), wk = 0.0026596 k( 257) = ( 0.3430546 -0.5382786 -1.0462311), wk = 0.0026596 k( 258) = ( 0.6569454 -0.3924941 -0.9572884), wk = 0.0026596 k( 259) = ( 0.6518826 -0.3751302 -0.9572884), wk = 0.0026596 k( 260) = ( 0.6468198 -0.3577664 -0.9572884), wk = 0.0026596 k( 261) = ( 0.6417571 -0.3404026 -0.9572884), wk = 0.0026596 k( 262) = ( 0.6366943 -0.3230388 -0.9572884), wk = 0.0026596 k( 263) = ( 0.6316316 -0.3056749 -0.9572884), wk = 0.0026596 k( 264) = ( 0.6265688 -0.2883111 -0.9572884), wk = 0.0026596 k( 265) = ( 0.6215061 -0.2709473 -0.9572884), wk = 0.0026596 k( 266) = ( 0.6164433 -0.2535835 -0.9572884), wk = 0.0026596 k( 267) = ( 0.6113806 -0.2362197 -0.9572884), wk = 0.0026596 k( 268) = ( 0.6063178 -0.2188558 -0.9572884), wk = 0.0026596 k( 269) = ( 0.6012551 -0.2014920 -0.9572884), wk = 0.0026596 k( 270) = ( 0.5961923 -0.1841282 -0.9572884), wk = 0.0026596 k( 271) = ( 0.5911296 -0.1667643 -0.9572884), wk = 0.0026596 k( 272) = ( 0.5860668 -0.1494005 -0.9572884), wk = 0.0026596 k( 273) = ( 0.5810040 -0.1320367 -0.9572884), wk = 0.0026596 k( 274) = ( 0.5759413 -0.1146729 -0.9572884), wk = 0.0026596 k( 275) = ( 0.5708785 -0.0973090 -0.9572884), wk = 0.0026596 k( 276) = ( 0.5658158 -0.0799452 -0.9572884), wk = 0.0026596 k( 277) = ( 0.5607530 -0.0625814 -0.9572884), wk = 0.0026596 k( 278) = ( 0.5556903 -0.0452176 -0.9572884), wk = 0.0026596 k( 279) = ( 0.5506275 -0.0278537 -0.9572884), wk = 0.0026596 k( 280) = ( 0.5455648 -0.0104899 -0.9572884), wk = 0.0026596 k( 281) = ( 0.5405020 0.0068739 -0.9572884), wk = 0.0026596 k( 282) = ( 0.5354393 0.0242378 -0.9572884), wk = 0.0026596 k( 283) = ( 0.5303765 0.0416016 -0.9572884), wk = 0.0026596 k( 284) = ( 0.5253138 0.0589654 -0.9572884), wk = 0.0026596 k( 285) = ( 0.5202510 0.0763292 -0.9572884), wk = 0.0026596 k( 286) = ( 0.5151883 0.0936930 -0.9572884), wk = 0.0026596 k( 287) = ( 0.5101255 0.1110569 -0.9572884), wk = 0.0026596 k( 288) = ( 0.5050628 0.1284207 -0.9572884), wk = 0.0026596 k( 289) = ( 0.5000000 0.1457845 -0.9572884), wk = 0.0026596 k( 290) = ( 0.5000000 0.1457845 -0.9572884), wk = 0.0026596 k( 291) = ( 0.5142678 0.1499445 -0.9492027), wk = 0.0026596 k( 292) = ( 0.5285355 0.1541046 -0.9411170), wk = 0.0026596 k( 293) = ( 0.5428033 0.1582646 -0.9330313), wk = 0.0026596 k( 294) = ( 0.5570710 0.1624247 -0.9249456), wk = 0.0026596 k( 295) = ( 0.5713388 0.1665847 -0.9168599), wk = 0.0026596 k( 296) = ( 0.5856066 0.1707447 -0.9087742), wk = 0.0026596 k( 297) = ( 0.5998743 0.1749048 -0.9006885), wk = 0.0026596 k( 298) = ( 0.6141421 0.1790648 -0.8926028), wk = 0.0026596 k( 299) = ( 0.6284098 0.1832248 -0.8845171), wk = 0.0026596 k( 300) = ( 0.6426776 0.1873849 -0.8764314), wk = 0.0026596 k( 301) = ( 0.6569454 0.1915449 -0.8683457), wk = 0.0026596 k( 302) = ( 0.6569454 0.1915449 -0.8683457), wk = 0.0026596 k( 303) = ( 0.6539841 0.1906815 -0.8502837), wk = 0.0026596 k( 304) = ( 0.6510229 0.1898181 -0.8322216), wk = 0.0026596 k( 305) = ( 0.6480617 0.1889547 -0.8141596), wk = 0.0026596 k( 306) = ( 0.6451004 0.1880913 -0.7960975), wk = 0.0026596 k( 307) = ( 0.6421392 0.1872279 -0.7780355), wk = 0.0026596 k( 308) = ( 0.6391780 0.1863645 -0.7599735), wk = 0.0026596 k( 309) = ( 0.6362167 0.1855011 -0.7419114), wk = 0.0026596 k( 310) = ( 0.6332555 0.1846377 -0.7238493), wk = 0.0026596 k( 311) = ( 0.6302943 0.1837743 -0.7057873), wk = 0.0026596 k( 312) = ( 0.6273330 0.1829109 -0.6877252), wk = 0.0026596 k( 313) = ( 0.6243718 0.1820475 -0.6696632), wk = 0.0026596 k( 314) = ( 0.6214106 0.1811841 -0.6516012), wk = 0.0026596 k( 315) = ( 0.6184493 0.1803207 -0.6335391), wk = 0.0026596 k( 316) = ( 0.6154881 0.1794573 -0.6154771), wk = 0.0026596 k( 317) = ( 0.6125269 0.1785939 -0.5974150), wk = 0.0026596 k( 318) = ( 0.6095656 0.1777305 -0.5793530), wk = 0.0026596 k( 319) = ( 0.6066044 0.1768670 -0.5612909), wk = 0.0026596 k( 320) = ( 0.6036432 0.1760036 -0.5432289), wk = 0.0026596 k( 321) = ( 0.6006819 0.1751402 -0.5251668), wk = 0.0026596 k( 322) = ( 0.5977207 0.1742768 -0.5071048), wk = 0.0026596 k( 323) = ( 0.5947595 0.1734134 -0.4890427), wk = 0.0026596 k( 324) = ( 0.5917982 0.1725500 -0.4709807), wk = 0.0026596 k( 325) = ( 0.5888370 0.1716866 -0.4529187), wk = 0.0026596 k( 326) = ( 0.5858758 0.1708232 -0.4348566), wk = 0.0026596 k( 327) = ( 0.5829145 0.1699598 -0.4167946), wk = 0.0026596 k( 328) = ( 0.5799533 0.1690964 -0.3987325), wk = 0.0026596 k( 329) = ( 0.5769921 0.1682330 -0.3806705), wk = 0.0026596 k( 330) = ( 0.5740308 0.1673696 -0.3626084), wk = 0.0026596 k( 331) = ( 0.5710696 0.1665062 -0.3445464), wk = 0.0026596 k( 332) = ( 0.5681084 0.1656428 -0.3264843), wk = 0.0026596 k( 333) = ( 0.5651471 0.1647794 -0.3084223), wk = 0.0026596 k( 334) = ( 0.5621859 0.1639160 -0.2903602), wk = 0.0026596 k( 335) = ( 0.5592247 0.1630526 -0.2722982), wk = 0.0026596 k( 336) = ( 0.5562634 0.1621892 -0.2542362), wk = 0.0026596 k( 337) = ( 0.5533022 0.1613258 -0.2361741), wk = 0.0026596 k( 338) = ( 0.5503410 0.1604624 -0.2181121), wk = 0.0026596 k( 339) = ( 0.5473797 0.1595990 -0.2000500), wk = 0.0026596 k( 340) = ( 0.5444185 0.1587356 -0.1819880), wk = 0.0026596 k( 341) = ( 0.5414573 0.1578722 -0.1639259), wk = 0.0026596 k( 342) = ( 0.5384960 0.1570088 -0.1458639), wk = 0.0026596 k( 343) = ( 0.5355348 0.1561454 -0.1278018), wk = 0.0026596 k( 344) = ( 0.5325736 0.1552820 -0.1097398), wk = 0.0026596 k( 345) = ( 0.5296123 0.1544185 -0.0916777), wk = 0.0026596 k( 346) = ( 0.5266511 0.1535551 -0.0736157), wk = 0.0026596 k( 347) = ( 0.5236899 0.1526917 -0.0555537), wk = 0.0026596 k( 348) = ( 0.5207286 0.1518283 -0.0374916), wk = 0.0026596 k( 349) = ( 0.5177674 0.1509649 -0.0194296), wk = 0.0026596 k( 350) = ( 0.5148062 0.1501015 -0.0013675), wk = 0.0026596 k( 351) = ( 0.5118449 0.1492381 0.0166945), wk = 0.0026596 k( 352) = ( 0.5088837 0.1483747 0.0347566), wk = 0.0026596 k( 353) = ( 0.5059225 0.1475113 0.0528186), wk = 0.0026596 k( 354) = ( 0.5029612 0.1466479 0.0708807), wk = 0.0026596 k( 355) = ( 0.5000000 0.1457845 0.0889427), wk = 0.0026596 k( 356) = ( 0.5000000 -0.7845377 -0.4786442), wk = 0.0026596 k( 357) = ( 0.5156945 -0.7772484 -0.4741971), wk = 0.0026596 k( 358) = ( 0.5313891 -0.7699592 -0.4697499), wk = 0.0026596 k( 359) = ( 0.5470836 -0.7626700 -0.4653028), wk = 0.0026596 k( 360) = ( 0.5627781 -0.7553807 -0.4608557), wk = 0.0026596 k( 361) = ( 0.5784727 -0.7480915 -0.4564085), wk = 0.0026596 k( 362) = ( 0.5941672 -0.7408023 -0.4519614), wk = 0.0026596 k( 363) = ( 0.6098617 -0.7335131 -0.4475143), wk = 0.0026596 k( 364) = ( 0.6255563 -0.7262239 -0.4430671), wk = 0.0026596 k( 365) = ( 0.6412508 -0.7189346 -0.4386200), wk = 0.0026596 k( 366) = ( 0.6569454 -0.7116454 -0.4341729), wk = 0.0026596 k( 367) = ( 0.6726399 -0.7043562 -0.4297257), wk = 0.0026596 k( 368) = ( 0.6883344 -0.6970669 -0.4252786), wk = 0.0026596 k( 369) = ( 0.7040290 -0.6897777 -0.4208314), wk = 0.0026596 k( 370) = ( 0.7197235 -0.6824885 -0.4163843), wk = 0.0026596 k( 371) = ( 0.7354180 -0.6751993 -0.4119372), wk = 0.0026596 k( 372) = ( 0.7511126 -0.6679101 -0.4074900), wk = 0.0026596 k( 373) = ( 0.7668071 -0.6606208 -0.4030429), wk = 0.0026596 k( 374) = ( 0.7825016 -0.6533316 -0.3985958), wk = 0.0026596 k( 375) = ( 0.7981962 -0.6460424 -0.3941486), wk = 0.0026596 k( 376) = ( 0.8138907 -0.6387531 -0.3897015), wk = 0.0026596 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026596 k( 2) = ( 0.0087719 0.0000000 -0.0000000), wk = 0.0026596 k( 3) = ( 0.0175439 0.0000000 -0.0000000), wk = 0.0026596 k( 4) = ( 0.0263158 -0.0000000 -0.0000000), wk = 0.0026596 k( 5) = ( 0.0350877 0.0000000 -0.0000000), wk = 0.0026596 k( 6) = ( 0.0438597 0.0000000 -0.0000000), wk = 0.0026596 k( 7) = ( 0.0526316 -0.0000000 -0.0000000), wk = 0.0026596 k( 8) = ( 0.0614035 -0.0000000 -0.0000000), wk = 0.0026596 k( 9) = ( 0.0701754 0.0000000 -0.0000000), wk = 0.0026596 k( 10) = ( 0.0789474 0.0000000 -0.0000000), wk = 0.0026596 k( 11) = ( 0.0877193 0.0000000 -0.0000000), wk = 0.0026596 k( 12) = ( 0.0964912 -0.0000000 -0.0000000), wk = 0.0026596 k( 13) = ( 0.1052632 -0.0000000 -0.0000000), wk = 0.0026596 k( 14) = ( 0.1140351 -0.0000000 -0.0000000), wk = 0.0026596 k( 15) = ( 0.1228070 -0.0000000 -0.0000000), wk = 0.0026596 k( 16) = ( 0.1315790 0.0000000 -0.0000000), wk = 0.0026596 k( 17) = ( 0.1403509 0.0000000 -0.0000000), wk = 0.0026596 k( 18) = ( 0.1491228 -0.0000000 0.0000000), wk = 0.0026596 k( 19) = ( 0.1578947 0.0000000 -0.0000000), wk = 0.0026596 k( 20) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0026596 k( 21) = ( 0.1754386 0.0000000 -0.0000000), wk = 0.0026596 k( 22) = ( 0.1842105 -0.0000000 0.0000000), wk = 0.0026596 k( 23) = ( 0.1929825 -0.0000000 -0.0000000), wk = 0.0026596 k( 24) = ( 0.2017544 -0.0000000 -0.0000000), wk = 0.0026596 k( 25) = ( 0.2105263 -0.0000000 -0.0000000), wk = 0.0026596 k( 26) = ( 0.2192983 0.0000000 -0.0000000), wk = 0.0026596 k( 27) = ( 0.2280702 -0.0000000 -0.0000000), wk = 0.0026596 k( 28) = ( 0.2368421 0.0000000 0.0000000), wk = 0.0026596 k( 29) = ( 0.2456140 -0.0000000 -0.0000000), wk = 0.0026596 k( 30) = ( 0.2543860 -0.0000000 0.0000000), wk = 0.0026596 k( 31) = ( 0.2631579 -0.0000000 -0.0000000), wk = 0.0026596 k( 32) = ( 0.2719298 0.0000000 -0.0000000), wk = 0.0026596 k( 33) = ( 0.2807018 -0.0000000 -0.0000000), wk = 0.0026596 k( 34) = ( 0.2894737 0.0000000 -0.0000000), wk = 0.0026596 k( 35) = ( 0.2982456 0.0000000 -0.0000000), wk = 0.0026596 k( 36) = ( 0.3070175 -0.0000000 -0.0000000), wk = 0.0026596 k( 37) = ( 0.3157895 -0.0000000 -0.0000000), wk = 0.0026596 k( 38) = ( 0.3245614 0.0000000 0.0000000), wk = 0.0026596 k( 39) = ( 0.3333333 -0.0000000 -0.0000000), wk = 0.0026596 k( 40) = ( 0.3421053 0.0000000 0.0000000), wk = 0.0026596 k( 41) = ( 0.3508772 -0.0000000 -0.0000000), wk = 0.0026596 k( 42) = ( 0.3596491 -0.0000000 -0.0000000), wk = 0.0026596 k( 43) = ( 0.3684211 -0.0000000 -0.0000000), wk = 0.0026596 k( 44) = ( 0.3771930 -0.0000000 -0.0000000), wk = 0.0026596 k( 45) = ( 0.3859649 0.0000000 -0.0000000), wk = 0.0026596 k( 46) = ( 0.3947368 -0.0000000 -0.0000000), wk = 0.0026596 k( 47) = ( 0.4035088 -0.0000000 0.0000000), wk = 0.0026596 k( 48) = ( 0.4122807 0.0000000 -0.0000000), wk = 0.0026596 k( 49) = ( 0.4210526 0.0000000 -0.0000000), wk = 0.0026596 k( 50) = ( 0.4298246 0.0000000 -0.0000000), wk = 0.0026596 k( 51) = ( 0.4385965 -0.0000000 0.0000000), wk = 0.0026596 k( 52) = ( 0.4473684 -0.0000000 -0.0000000), wk = 0.0026596 k( 53) = ( 0.4561404 0.0000000 0.0000000), wk = 0.0026596 k( 54) = ( 0.4649123 -0.0000000 -0.0000000), wk = 0.0026596 k( 55) = ( 0.4736842 0.0000000 -0.0000000), wk = 0.0026596 k( 56) = ( 0.4824561 -0.0000000 -0.0000000), wk = 0.0026596 k( 57) = ( 0.4912281 -0.0000000 -0.0000000), wk = 0.0026596 k( 58) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0026596 k( 59) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0026596 k( 60) = ( 0.5000000 0.0050300 -0.0050300), wk = 0.0026596 k( 61) = ( 0.5000000 0.0100600 -0.0100600), wk = 0.0026596 k( 62) = ( 0.5000000 0.0150899 -0.0150899), wk = 0.0026596 k( 63) = ( 0.5000000 0.0201199 -0.0201199), wk = 0.0026596 k( 64) = ( 0.5000000 0.0251499 -0.0251499), wk = 0.0026596 k( 65) = ( 0.5000000 0.0301799 -0.0301799), wk = 0.0026596 k( 66) = ( 0.5000000 0.0352099 -0.0352099), wk = 0.0026596 k( 67) = ( 0.5000000 0.0402399 -0.0402399), wk = 0.0026596 k( 68) = ( 0.5000000 0.0452698 -0.0452698), wk = 0.0026596 k( 69) = ( 0.5000000 0.0502998 -0.0502998), wk = 0.0026596 k( 70) = ( 0.5000000 0.0553298 -0.0553298), wk = 0.0026596 k( 71) = ( 0.5000000 0.0603598 -0.0603598), wk = 0.0026596 k( 72) = ( 0.5000000 0.0653897 -0.0653897), wk = 0.0026596 k( 73) = ( 0.5000000 0.0704197 -0.0704197), wk = 0.0026596 k( 74) = ( 0.5000000 0.0754497 -0.0754497), wk = 0.0026596 k( 75) = ( 0.5000000 0.0804797 -0.0804797), wk = 0.0026596 k( 76) = ( 0.5000000 0.0855097 -0.0855097), wk = 0.0026596 k( 77) = ( 0.5000000 0.0905397 -0.0905397), wk = 0.0026596 k( 78) = ( 0.5000000 0.0955696 -0.0955696), wk = 0.0026596 k( 79) = ( 0.5000000 0.1005996 -0.1005996), wk = 0.0026596 k( 80) = ( 0.5000000 0.1056296 -0.1056296), wk = 0.0026596 k( 81) = ( 0.5000000 0.1106596 -0.1106596), wk = 0.0026596 k( 82) = ( 0.5000000 0.1156896 -0.1156896), wk = 0.0026596 k( 83) = ( 0.5000000 0.1207195 -0.1207195), wk = 0.0026596 k( 84) = ( 0.5000000 0.1257495 -0.1257495), wk = 0.0026596 k( 85) = ( 0.5000000 0.1307795 -0.1307795), wk = 0.0026596 k( 86) = ( 0.5000000 0.1358095 -0.1358095), wk = 0.0026596 k( 87) = ( 0.5000000 0.1408395 -0.1408395), wk = 0.0026596 k( 88) = ( 0.5000000 0.1458694 -0.1458694), wk = 0.0026596 k( 89) = ( 0.5000000 0.1508994 -0.1508994), wk = 0.0026596 k( 90) = ( 0.5000000 0.1559294 -0.1559294), wk = 0.0026596 k( 91) = ( 0.5000000 0.1609594 -0.1609594), wk = 0.0026596 k( 92) = ( 0.5000000 0.1659894 -0.1659894), wk = 0.0026596 k( 93) = ( 0.5000000 0.1710194 -0.1710193), wk = 0.0026596 k( 94) = ( 0.5000000 0.1760493 -0.1760493), wk = 0.0026596 k( 95) = ( 0.5000000 0.1810793 -0.1810793), wk = 0.0026596 k( 96) = ( 0.5000000 0.1861093 -0.1861093), wk = 0.0026596 k( 97) = ( 0.8138907 0.5000000 0.1861093), wk = 0.0026596 k( 98) = ( 0.8088280 0.5000000 0.1911720), wk = 0.0026596 k( 99) = ( 0.8037652 0.5000000 0.1962348), wk = 0.0026596 k( 100) = ( 0.7987024 0.5000000 0.2012976), wk = 0.0026596 k( 101) = ( 0.7936397 0.5000000 0.2063603), wk = 0.0026596 k( 102) = ( 0.7885770 0.5000000 0.2114231), wk = 0.0026596 k( 103) = ( 0.7835142 0.5000000 0.2164858), wk = 0.0026596 k( 104) = ( 0.7784514 0.5000000 0.2215486), wk = 0.0026596 k( 105) = ( 0.7733887 0.5000000 0.2266113), wk = 0.0026596 k( 106) = ( 0.7683259 0.5000000 0.2316741), wk = 0.0026596 k( 107) = ( 0.7632632 0.5000000 0.2367368), wk = 0.0026596 k( 108) = ( 0.7582004 0.5000000 0.2417996), wk = 0.0026596 k( 109) = ( 0.7531377 0.5000000 0.2468623), wk = 0.0026596 k( 110) = ( 0.7480749 0.5000000 0.2519251), wk = 0.0026596 k( 111) = ( 0.7430122 0.5000000 0.2569878), wk = 0.0026596 k( 112) = ( 0.7379494 0.5000000 0.2620506), wk = 0.0026596 k( 113) = ( 0.7328867 0.5000000 0.2671133), wk = 0.0026596 k( 114) = ( 0.7278239 0.5000000 0.2721761), wk = 0.0026596 k( 115) = ( 0.7227611 0.5000000 0.2772388), wk = 0.0026596 k( 116) = ( 0.7176984 0.5000000 0.2823016), wk = 0.0026596 k( 117) = ( 0.7126356 0.5000000 0.2873644), wk = 0.0026596 k( 118) = ( 0.7075729 0.5000000 0.2924271), wk = 0.0026596 k( 119) = ( 0.7025101 0.5000000 0.2974899), wk = 0.0026596 k( 120) = ( 0.6974474 0.5000000 0.3025526), wk = 0.0026596 k( 121) = ( 0.6923846 0.5000000 0.3076154), wk = 0.0026596 k( 122) = ( 0.6873219 0.5000000 0.3126781), wk = 0.0026596 k( 123) = ( 0.6822591 0.5000000 0.3177409), wk = 0.0026596 k( 124) = ( 0.6771964 0.5000000 0.3228036), wk = 0.0026596 k( 125) = ( 0.6721336 0.5000000 0.3278664), wk = 0.0026596 k( 126) = ( 0.6670709 0.5000000 0.3329291), wk = 0.0026596 k( 127) = ( 0.6620081 0.5000000 0.3379919), wk = 0.0026596 k( 128) = ( 0.6569454 0.5000000 0.3430546), wk = 0.0026596 k( 129) = ( 0.6518826 0.5000000 0.3481174), wk = 0.0026596 k( 130) = ( 0.6468198 0.5000000 0.3531801), wk = 0.0026596 k( 131) = ( 0.6417571 0.5000000 0.3582429), wk = 0.0026596 k( 132) = ( 0.6366943 0.5000000 0.3633057), wk = 0.0026596 k( 133) = ( 0.6316316 0.5000000 0.3683684), wk = 0.0026596 k( 134) = ( 0.6265688 0.5000000 0.3734312), wk = 0.0026596 k( 135) = ( 0.6215061 0.5000000 0.3784939), wk = 0.0026596 k( 136) = ( 0.6164433 0.5000000 0.3835567), wk = 0.0026596 k( 137) = ( 0.6113806 0.5000000 0.3886194), wk = 0.0026596 k( 138) = ( 0.6063178 0.5000000 0.3936822), wk = 0.0026596 k( 139) = ( 0.6012551 0.5000000 0.3987449), wk = 0.0026596 k( 140) = ( 0.5961923 0.5000000 0.4038077), wk = 0.0026596 k( 141) = ( 0.5911296 0.5000000 0.4088704), wk = 0.0026596 k( 142) = ( 0.5860668 0.5000000 0.4139332), wk = 0.0026596 k( 143) = ( 0.5810040 0.5000000 0.4189960), wk = 0.0026596 k( 144) = ( 0.5759413 0.5000000 0.4240587), wk = 0.0026596 k( 145) = ( 0.5708785 0.5000000 0.4291214), wk = 0.0026596 k( 146) = ( 0.5658158 0.5000000 0.4341842), wk = 0.0026596 k( 147) = ( 0.5607530 0.5000000 0.4392470), wk = 0.0026596 k( 148) = ( 0.5556903 0.5000000 0.4443097), wk = 0.0026596 k( 149) = ( 0.5506275 0.5000000 0.4493725), wk = 0.0026596 k( 150) = ( 0.5455648 0.5000000 0.4544352), wk = 0.0026596 k( 151) = ( 0.5405020 0.5000000 0.4594980), wk = 0.0026596 k( 152) = ( 0.5354393 0.5000000 0.4645607), wk = 0.0026596 k( 153) = ( 0.5303765 0.5000000 0.4696235), wk = 0.0026596 k( 154) = ( 0.5253138 0.5000000 0.4746862), wk = 0.0026596 k( 155) = ( 0.5202510 0.5000000 0.4797490), wk = 0.0026596 k( 156) = ( 0.5151883 0.5000000 0.4848117), wk = 0.0026596 k( 157) = ( 0.5101255 0.5000000 0.4898745), wk = 0.0026596 k( 158) = ( 0.5050628 0.5000000 0.4949372), wk = 0.0026596 k( 159) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026596 k( 160) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026596 k( 161) = ( 0.4827586 0.4827586 0.4827586), wk = 0.0026596 k( 162) = ( 0.4655172 0.4655172 0.4655172), wk = 0.0026596 k( 163) = ( 0.4482759 0.4482759 0.4482759), wk = 0.0026596 k( 164) = ( 0.4310345 0.4310345 0.4310345), wk = 0.0026596 k( 165) = ( 0.4137931 0.4137931 0.4137931), wk = 0.0026596 k( 166) = ( 0.3965517 0.3965517 0.3965517), wk = 0.0026596 k( 167) = ( 0.3793103 0.3793103 0.3793103), wk = 0.0026596 k( 168) = ( 0.3620690 0.3620690 0.3620690), wk = 0.0026596 k( 169) = ( 0.3448276 0.3448276 0.3448276), wk = 0.0026596 k( 170) = ( 0.3275862 0.3275862 0.3275862), wk = 0.0026596 k( 171) = ( 0.3103448 0.3103448 0.3103448), wk = 0.0026596 k( 172) = ( 0.2931034 0.2931034 0.2931034), wk = 0.0026596 k( 173) = ( 0.2758621 0.2758621 0.2758621), wk = 0.0026596 k( 174) = ( 0.2586207 0.2586207 0.2586207), wk = 0.0026596 k( 175) = ( 0.2413793 0.2413793 0.2413793), wk = 0.0026596 k( 176) = ( 0.2241379 0.2241379 0.2241379), wk = 0.0026596 k( 177) = ( 0.2068966 0.2068966 0.2068966), wk = 0.0026596 k( 178) = ( 0.1896552 0.1896552 0.1896552), wk = 0.0026596 k( 179) = ( 0.1724138 0.1724138 0.1724138), wk = 0.0026596 k( 180) = ( 0.1551724 0.1551724 0.1551724), wk = 0.0026596 k( 181) = ( 0.1379310 0.1379310 0.1379310), wk = 0.0026596 k( 182) = ( 0.1206897 0.1206897 0.1206897), wk = 0.0026596 k( 183) = ( 0.1034483 0.1034483 0.1034483), wk = 0.0026596 k( 184) = ( 0.0862069 0.0862069 0.0862069), wk = 0.0026596 k( 185) = ( 0.0689655 0.0689655 0.0689655), wk = 0.0026596 k( 186) = ( 0.0517241 0.0517241 0.0517241), wk = 0.0026596 k( 187) = ( 0.0344828 0.0344828 0.0344828), wk = 0.0026596 k( 188) = ( 0.0172414 0.0172414 0.0172414), wk = 0.0026596 k( 189) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026596 k( 190) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026596 k( 191) = ( 0.0051202 -0.0000000 -0.0051202), wk = 0.0026596 k( 192) = ( 0.0102404 -0.0000000 -0.0102404), wk = 0.0026596 k( 193) = ( 0.0153607 -0.0000000 -0.0153607), wk = 0.0026596 k( 194) = ( 0.0204809 0.0000000 -0.0204809), wk = 0.0026596 k( 195) = ( 0.0256011 -0.0000000 -0.0256011), wk = 0.0026596 k( 196) = ( 0.0307213 -0.0000000 -0.0307213), wk = 0.0026596 k( 197) = ( 0.0358415 0.0000000 -0.0358415), wk = 0.0026596 k( 198) = ( 0.0409617 0.0000000 -0.0409617), wk = 0.0026596 k( 199) = ( 0.0460820 0.0000000 -0.0460820), wk = 0.0026596 k( 200) = ( 0.0512022 -0.0000000 -0.0512022), wk = 0.0026596 k( 201) = ( 0.0563224 0.0000000 -0.0563224), wk = 0.0026596 k( 202) = ( 0.0614426 -0.0000000 -0.0614426), wk = 0.0026596 k( 203) = ( 0.0665628 0.0000000 -0.0665628), wk = 0.0026596 k( 204) = ( 0.0716831 0.0000000 -0.0716831), wk = 0.0026596 k( 205) = ( 0.0768033 -0.0000000 -0.0768033), wk = 0.0026596 k( 206) = ( 0.0819235 0.0000000 -0.0819235), wk = 0.0026596 k( 207) = ( 0.0870437 -0.0000000 -0.0870437), wk = 0.0026596 k( 208) = ( 0.0921639 0.0000000 -0.0921639), wk = 0.0026596 k( 209) = ( 0.0972841 -0.0000000 -0.0972842), wk = 0.0026596 k( 210) = ( 0.1024044 0.0000000 -0.1024044), wk = 0.0026596 k( 211) = ( 0.1075246 -0.0000000 -0.1075246), wk = 0.0026596 k( 212) = ( 0.1126448 0.0000000 -0.1126448), wk = 0.0026596 k( 213) = ( 0.1177650 -0.0000000 -0.1177650), wk = 0.0026596 k( 214) = ( 0.1228853 0.0000000 -0.1228853), wk = 0.0026596 k( 215) = ( 0.1280055 -0.0000000 -0.1280055), wk = 0.0026596 k( 216) = ( 0.1331257 0.0000000 -0.1331257), wk = 0.0026596 k( 217) = ( 0.1382459 -0.0000000 -0.1382459), wk = 0.0026596 k( 218) = ( 0.1433661 0.0000000 -0.1433661), wk = 0.0026596 k( 219) = ( 0.1484863 -0.0000000 -0.1484863), wk = 0.0026596 k( 220) = ( 0.1536066 -0.0000000 -0.1536066), wk = 0.0026596 k( 221) = ( 0.1587268 0.0000000 -0.1587268), wk = 0.0026596 k( 222) = ( 0.1638470 -0.0000000 -0.1638470), wk = 0.0026596 k( 223) = ( 0.1689672 -0.0000000 -0.1689672), wk = 0.0026596 k( 224) = ( 0.1740874 -0.0000000 -0.1740874), wk = 0.0026596 k( 225) = ( 0.1792076 -0.0000000 -0.1792076), wk = 0.0026596 k( 226) = ( 0.1843279 -0.0000000 -0.1843279), wk = 0.0026596 k( 227) = ( 0.1894481 0.0000000 -0.1894481), wk = 0.0026596 k( 228) = ( 0.1945683 0.0000000 -0.1945683), wk = 0.0026596 k( 229) = ( 0.1996885 -0.0000000 -0.1996885), wk = 0.0026596 k( 230) = ( 0.2048087 0.0000000 -0.2048087), wk = 0.0026596 k( 231) = ( 0.2099290 -0.0000000 -0.2099290), wk = 0.0026596 k( 232) = ( 0.2150492 -0.0000000 -0.2150492), wk = 0.0026596 k( 233) = ( 0.2201694 -0.0000000 -0.2201694), wk = 0.0026596 k( 234) = ( 0.2252896 0.0000000 -0.2252896), wk = 0.0026596 k( 235) = ( 0.2304098 0.0000000 -0.2304098), wk = 0.0026596 k( 236) = ( 0.2355300 0.0000000 -0.2355300), wk = 0.0026596 k( 237) = ( 0.2406503 -0.0000000 -0.2406503), wk = 0.0026596 k( 238) = ( 0.2457705 -0.0000000 -0.2457705), wk = 0.0026596 k( 239) = ( 0.2508907 0.0000000 -0.2508907), wk = 0.0026596 k( 240) = ( 0.2560109 0.0000000 -0.2560109), wk = 0.0026596 k( 241) = ( 0.2611311 0.0000000 -0.2611311), wk = 0.0026596 k( 242) = ( 0.2662514 -0.0000000 -0.2662514), wk = 0.0026596 k( 243) = ( 0.2713716 -0.0000000 -0.2713716), wk = 0.0026596 k( 244) = ( 0.2764918 -0.0000000 -0.2764918), wk = 0.0026596 k( 245) = ( 0.2816120 0.0000000 -0.2816120), wk = 0.0026596 k( 246) = ( 0.2867322 0.0000000 -0.2867322), wk = 0.0026596 k( 247) = ( 0.2918525 0.0000000 -0.2918525), wk = 0.0026596 k( 248) = ( 0.2969727 -0.0000000 -0.2969727), wk = 0.0026596 k( 249) = ( 0.3020929 0.0000000 -0.3020929), wk = 0.0026596 k( 250) = ( 0.3072131 0.0000000 -0.3072131), wk = 0.0026596 k( 251) = ( 0.3123333 -0.0000000 -0.3123333), wk = 0.0026596 k( 252) = ( 0.3174535 0.0000000 -0.3174535), wk = 0.0026596 k( 253) = ( 0.3225738 -0.0000000 -0.3225738), wk = 0.0026596 k( 254) = ( 0.3276940 -0.0000000 -0.3276940), wk = 0.0026596 k( 255) = ( 0.3328142 -0.0000000 -0.3328142), wk = 0.0026596 k( 256) = ( 0.3379344 0.0000000 -0.3379344), wk = 0.0026596 k( 257) = ( 0.3430546 -0.0000000 -0.3430546), wk = 0.0026596 k( 258) = ( 0.6569454 0.3430546 -0.0000000), wk = 0.0026596 k( 259) = ( 0.6518826 0.3481174 0.0000000), wk = 0.0026596 k( 260) = ( 0.6468198 0.3531802 0.0000000), wk = 0.0026596 k( 261) = ( 0.6417571 0.3582429 -0.0000000), wk = 0.0026596 k( 262) = ( 0.6366943 0.3633057 0.0000000), wk = 0.0026596 k( 263) = ( 0.6316316 0.3683684 0.0000000), wk = 0.0026596 k( 264) = ( 0.6265688 0.3734312 0.0000000), wk = 0.0026596 k( 265) = ( 0.6215061 0.3784939 0.0000000), wk = 0.0026596 k( 266) = ( 0.6164433 0.3835567 0.0000000), wk = 0.0026596 k( 267) = ( 0.6113806 0.3886194 -0.0000000), wk = 0.0026596 k( 268) = ( 0.6063178 0.3936822 0.0000000), wk = 0.0026596 k( 269) = ( 0.6012551 0.3987449 -0.0000000), wk = 0.0026596 k( 270) = ( 0.5961923 0.4038077 0.0000000), wk = 0.0026596 k( 271) = ( 0.5911296 0.4088704 -0.0000000), wk = 0.0026596 k( 272) = ( 0.5860668 0.4139332 -0.0000000), wk = 0.0026596 k( 273) = ( 0.5810040 0.4189960 -0.0000000), wk = 0.0026596 k( 274) = ( 0.5759413 0.4240587 0.0000000), wk = 0.0026596 k( 275) = ( 0.5708785 0.4291215 0.0000000), wk = 0.0026596 k( 276) = ( 0.5658158 0.4341842 0.0000000), wk = 0.0026596 k( 277) = ( 0.5607530 0.4392470 -0.0000000), wk = 0.0026596 k( 278) = ( 0.5556903 0.4443097 0.0000000), wk = 0.0026596 k( 279) = ( 0.5506275 0.4493725 -0.0000000), wk = 0.0026596 k( 280) = ( 0.5455648 0.4544352 0.0000000), wk = 0.0026596 k( 281) = ( 0.5405020 0.4594980 -0.0000000), wk = 0.0026596 k( 282) = ( 0.5354393 0.4645607 0.0000000), wk = 0.0026596 k( 283) = ( 0.5303765 0.4696235 0.0000000), wk = 0.0026596 k( 284) = ( 0.5253138 0.4746862 -0.0000000), wk = 0.0026596 k( 285) = ( 0.5202510 0.4797490 0.0000000), wk = 0.0026596 k( 286) = ( 0.5151883 0.4848117 -0.0000000), wk = 0.0026596 k( 287) = ( 0.5101255 0.4898745 0.0000000), wk = 0.0026596 k( 288) = ( 0.5050628 0.4949373 -0.0000000), wk = 0.0026596 k( 289) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0026596 k( 290) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0026596 k( 291) = ( 0.5142678 0.5142678 0.0169190), wk = 0.0026596 k( 292) = ( 0.5285355 0.5285355 0.0338380), wk = 0.0026596 k( 293) = ( 0.5428033 0.5428033 0.0507571), wk = 0.0026596 k( 294) = ( 0.5570710 0.5570710 0.0676761), wk = 0.0026596 k( 295) = ( 0.5713388 0.5713388 0.0845951), wk = 0.0026596 k( 296) = ( 0.5856066 0.5856066 0.1015142), wk = 0.0026596 k( 297) = ( 0.5998743 0.5998743 0.1184332), wk = 0.0026596 k( 298) = ( 0.6141421 0.6141421 0.1353522), wk = 0.0026596 k( 299) = ( 0.6284098 0.6284098 0.1522712), wk = 0.0026596 k( 300) = ( 0.6426776 0.6426776 0.1691903), wk = 0.0026596 k( 301) = ( 0.6569454 0.6569454 0.1861093), wk = 0.0026596 k( 302) = ( 0.6569454 0.6569454 0.1861093), wk = 0.0026596 k( 303) = ( 0.6539841 0.6539841 0.1920317), wk = 0.0026596 k( 304) = ( 0.6510229 0.6510229 0.1979542), wk = 0.0026596 k( 305) = ( 0.6480617 0.6480617 0.2038767), wk = 0.0026596 k( 306) = ( 0.6451004 0.6451004 0.2097992), wk = 0.0026596 k( 307) = ( 0.6421392 0.6421392 0.2157216), wk = 0.0026596 k( 308) = ( 0.6391780 0.6391780 0.2216441), wk = 0.0026596 k( 309) = ( 0.6362167 0.6362167 0.2275665), wk = 0.0026596 k( 310) = ( 0.6332555 0.6332555 0.2334890), wk = 0.0026596 k( 311) = ( 0.6302943 0.6302943 0.2394115), wk = 0.0026596 k( 312) = ( 0.6273330 0.6273330 0.2453340), wk = 0.0026596 k( 313) = ( 0.6243718 0.6243718 0.2512564), wk = 0.0026596 k( 314) = ( 0.6214106 0.6214106 0.2571789), wk = 0.0026596 k( 315) = ( 0.6184493 0.6184493 0.2631013), wk = 0.0026596 k( 316) = ( 0.6154881 0.6154881 0.2690238), wk = 0.0026596 k( 317) = ( 0.6125269 0.6125269 0.2749463), wk = 0.0026596 k( 318) = ( 0.6095656 0.6095656 0.2808687), wk = 0.0026596 k( 319) = ( 0.6066044 0.6066044 0.2867912), wk = 0.0026596 k( 320) = ( 0.6036432 0.6036432 0.2927137), wk = 0.0026596 k( 321) = ( 0.6006819 0.6006819 0.2986361), wk = 0.0026596 k( 322) = ( 0.5977207 0.5977207 0.3045586), wk = 0.0026596 k( 323) = ( 0.5947595 0.5947595 0.3104811), wk = 0.0026596 k( 324) = ( 0.5917982 0.5917982 0.3164035), wk = 0.0026596 k( 325) = ( 0.5888370 0.5888370 0.3223260), wk = 0.0026596 k( 326) = ( 0.5858758 0.5858758 0.3282485), wk = 0.0026596 k( 327) = ( 0.5829145 0.5829145 0.3341709), wk = 0.0026596 k( 328) = ( 0.5799533 0.5799533 0.3400934), wk = 0.0026596 k( 329) = ( 0.5769921 0.5769921 0.3460159), wk = 0.0026596 k( 330) = ( 0.5740308 0.5740308 0.3519383), wk = 0.0026596 k( 331) = ( 0.5710696 0.5710696 0.3578608), wk = 0.0026596 k( 332) = ( 0.5681084 0.5681084 0.3637833), wk = 0.0026596 k( 333) = ( 0.5651471 0.5651471 0.3697057), wk = 0.0026596 k( 334) = ( 0.5621859 0.5621859 0.3756282), wk = 0.0026596 k( 335) = ( 0.5592247 0.5592247 0.3815507), wk = 0.0026596 k( 336) = ( 0.5562634 0.5562634 0.3874731), wk = 0.0026596 k( 337) = ( 0.5533022 0.5533022 0.3933956), wk = 0.0026596 k( 338) = ( 0.5503410 0.5503410 0.3993181), wk = 0.0026596 k( 339) = ( 0.5473797 0.5473797 0.4052405), wk = 0.0026596 k( 340) = ( 0.5444185 0.5444185 0.4111630), wk = 0.0026596 k( 341) = ( 0.5414573 0.5414573 0.4170855), wk = 0.0026596 k( 342) = ( 0.5384960 0.5384960 0.4230079), wk = 0.0026596 k( 343) = ( 0.5355348 0.5355348 0.4289304), wk = 0.0026596 k( 344) = ( 0.5325736 0.5325736 0.4348529), wk = 0.0026596 k( 345) = ( 0.5296123 0.5296123 0.4407753), wk = 0.0026596 k( 346) = ( 0.5266511 0.5266511 0.4466978), wk = 0.0026596 k( 347) = ( 0.5236899 0.5236899 0.4526203), wk = 0.0026596 k( 348) = ( 0.5207286 0.5207286 0.4585427), wk = 0.0026596 k( 349) = ( 0.5177674 0.5177674 0.4644652), wk = 0.0026596 k( 350) = ( 0.5148062 0.5148062 0.4703877), wk = 0.0026596 k( 351) = ( 0.5118449 0.5118449 0.4763101), wk = 0.0026596 k( 352) = ( 0.5088837 0.5088837 0.4822326), wk = 0.0026596 k( 353) = ( 0.5059225 0.5059225 0.4881551), wk = 0.0026596 k( 354) = ( 0.5029612 0.5029612 0.4940775), wk = 0.0026596 k( 355) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026596 k( 356) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0026596 k( 357) = ( 0.5156945 0.0171527 0.0171527), wk = 0.0026596 k( 358) = ( 0.5313891 0.0343055 0.0343055), wk = 0.0026596 k( 359) = ( 0.5470836 0.0514582 0.0514582), wk = 0.0026596 k( 360) = ( 0.5627781 0.0686109 0.0686109), wk = 0.0026596 k( 361) = ( 0.5784727 0.0857637 0.0857637), wk = 0.0026596 k( 362) = ( 0.5941672 0.1029164 0.1029164), wk = 0.0026596 k( 363) = ( 0.6098617 0.1200691 0.1200691), wk = 0.0026596 k( 364) = ( 0.6255563 0.1372219 0.1372219), wk = 0.0026596 k( 365) = ( 0.6412508 0.1543746 0.1543746), wk = 0.0026596 k( 366) = ( 0.6569454 0.1715273 0.1715273), wk = 0.0026596 k( 367) = ( 0.6726399 0.1886800 0.1886800), wk = 0.0026596 k( 368) = ( 0.6883344 0.2058328 0.2058328), wk = 0.0026596 k( 369) = ( 0.7040290 0.2229855 0.2229855), wk = 0.0026596 k( 370) = ( 0.7197235 0.2401382 0.2401382), wk = 0.0026596 k( 371) = ( 0.7354180 0.2572910 0.2572910), wk = 0.0026596 k( 372) = ( 0.7511126 0.2744437 0.2744437), wk = 0.0026596 k( 373) = ( 0.7668071 0.2915965 0.2915964), wk = 0.0026596 k( 374) = ( 0.7825016 0.3087492 0.3087492), wk = 0.0026596 k( 375) = ( 0.7981962 0.3259019 0.3259019), wk = 0.0026596 k( 376) = ( 0.8138907 0.3430546 0.3430546), wk = 0.0026596 Dense grid: 32843 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 24671 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.11 Mb ( 174, 42) NL pseudopotentials 0.10 Mb ( 87, 76) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.01 Mb ( 912) G-vector shells 0.01 Mb ( 769) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.45 Mb ( 174, 168) Each subspace H/S matrix 0.03 Mb ( 42, 42) Each matrix 0.10 Mb ( 76, 2, 42) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./NaInO2.save/charge-density.dat Starting wfc are 44 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.2 secs Computing kpt #: 2 total cpu time spent up to now is 3.6 secs Computing kpt #: 3 total cpu time spent up to now is 4.0 secs Computing kpt #: 4 total cpu time spent up to now is 4.3 secs Computing kpt #: 5 total cpu time spent up to now is 4.7 secs Computing kpt #: 6 total cpu time spent up to now is 5.1 secs Computing kpt #: 7 total cpu time spent up to now is 5.5 secs Computing kpt #: 8 total cpu time spent up to now is 5.9 secs Computing kpt #: 9 total cpu time spent up to now is 6.2 secs Computing kpt #: 10 total cpu time spent up to now is 6.6 secs Computing kpt #: 11 total cpu time spent up to now is 7.0 secs Computing kpt #: 12 total cpu time spent up to now is 7.4 secs Computing kpt #: 13 total cpu time spent up to now is 7.8 secs Computing kpt #: 14 total cpu time spent up to now is 8.2 secs Computing kpt #: 15 total cpu time spent up to now is 8.6 secs Computing kpt #: 16 total cpu time spent up to now is 9.0 secs Computing kpt #: 17 total cpu time spent up to now is 9.5 secs Computing kpt #: 18 total cpu time spent up to now is 9.9 secs Computing kpt #: 19 total cpu time spent up to now is 10.3 secs Computing kpt #: 20 total cpu time spent up to now is 10.7 secs Computing kpt #: 21 total cpu time spent up to now is 11.0 secs Computing kpt #: 22 total cpu time spent up to now is 11.4 secs Computing kpt #: 23 total cpu time spent up to now is 11.8 secs Computing kpt #: 24 total cpu time spent up to now is 12.2 secs Computing kpt #: 25 total cpu time spent up to now is 12.5 secs Computing kpt #: 26 total cpu time spent up to now is 12.9 secs Computing kpt #: 27 total cpu time spent up to now is 13.3 secs Computing kpt #: 28 total cpu time spent up to now is 13.6 secs Computing kpt #: 29 total cpu time spent up to now is 14.0 secs Computing kpt #: 30 total cpu time spent up to now is 14.4 secs Computing kpt #: 31 total cpu time spent up to now is 14.8 secs Computing kpt #: 32 total cpu time spent up to now is 15.1 secs Computing kpt #: 33 total cpu time spent up to now is 15.5 secs Computing kpt #: 34 total cpu time spent up to now is 15.9 secs Computing kpt #: 35 total cpu time spent up to now is 16.3 secs Computing kpt #: 36 total cpu time spent up to now is 16.6 secs Computing 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is 22.8 secs Computing kpt #: 53 total cpu time spent up to now is 23.2 secs Computing kpt #: 54 total cpu time spent up to now is 23.5 secs Computing kpt #: 55 total cpu time spent up to now is 23.9 secs Computing kpt #: 56 total cpu time spent up to now is 24.3 secs Computing kpt #: 57 total cpu time spent up to now is 24.7 secs Computing kpt #: 58 total cpu time spent up to now is 25.0 secs Computing kpt #: 59 total cpu time spent up to now is 25.4 secs Computing kpt #: 60 total cpu time spent up to now is 25.8 secs Computing kpt #: 61 total cpu time spent up to now is 26.2 secs Computing kpt #: 62 total cpu time spent up to now is 26.6 secs Computing kpt #: 63 total cpu time spent up to now is 27.0 secs Computing kpt #: 64 total cpu time spent up to now is 27.3 secs Computing kpt #: 65 total cpu time spent up to now is 27.7 secs Computing kpt #: 66 total cpu time spent up to now is 28.1 secs Computing kpt #: 67 total cpu time spent up to now is 28.4 secs Computing kpt #: 68 total cpu time spent up to now is 28.8 secs Computing kpt #: 69 total cpu time spent up to now is 29.2 secs Computing kpt #: 70 total cpu time spent up to now is 29.6 secs Computing kpt #: 71 total cpu time spent up to now is 29.9 secs Computing kpt #: 72 total cpu time spent up to now is 30.3 secs Computing kpt #: 73 total cpu time spent up to now is 30.6 secs Computing kpt #: 74 total cpu time spent up to now is 31.0 secs Computing kpt #: 75 total cpu time spent up to now is 31.4 secs Computing kpt #: 76 total cpu time spent up to now is 31.7 secs Computing kpt #: 77 total cpu time spent up to now is 32.1 secs Computing kpt #: 78 total cpu time spent up to now is 32.5 secs Computing kpt #: 79 total cpu time spent up to now is 32.8 secs Computing kpt #: 80 total cpu time spent up to now is 33.2 secs Computing kpt #: 81 total cpu time spent up to now is 33.6 secs Computing kpt #: 82 total cpu time spent up to now is 33.9 secs Computing kpt #: 83 total cpu time spent up to now is 34.3 secs Computing kpt #: 84 total cpu time spent up to now is 34.7 secs Computing kpt #: 85 total cpu time spent up to now is 35.0 secs Computing kpt #: 86 total cpu time spent up to now is 35.4 secs Computing kpt #: 87 total cpu time spent up to now is 35.8 secs Computing kpt #: 88 total cpu time spent up to now is 36.1 secs Computing kpt #: 89 total cpu time spent up to now is 36.5 secs Computing kpt #: 90 total cpu time spent up to now is 36.8 secs Computing kpt #: 91 total cpu time spent up to now is 37.1 secs Computing kpt #: 92 total cpu time spent up to now is 37.5 secs Computing kpt #: 93 total cpu time spent up to now is 37.8 secs Computing kpt #: 94 total cpu time spent up to now is 38.2 secs Computing kpt #: 95 total cpu time spent up to now is 38.6 secs Computing kpt #: 96 total cpu time spent up to now is 38.9 secs Computing kpt #: 97 total cpu time spent up to now is 39.3 secs Computing kpt #: 98 total cpu time spent up to now is 39.6 secs Computing kpt #: 99 total cpu time spent 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total cpu time spent up to now is 51.7 secs Computing kpt #: 131 total cpu time spent up to now is 52.0 secs Computing kpt #: 132 total cpu time spent up to now is 52.4 secs Computing kpt #: 133 total cpu time spent up to now is 52.8 secs Computing kpt #: 134 total cpu time spent up to now is 53.1 secs Computing kpt #: 135 total cpu time spent up to now is 53.5 secs Computing kpt #: 136 total cpu time spent up to now is 53.9 secs Computing kpt #: 137 total cpu time spent up to now is 54.2 secs Computing kpt #: 138 total cpu time spent up to now is 54.6 secs Computing kpt #: 139 total cpu time spent up to now is 55.0 secs Computing kpt #: 140 total cpu time spent up to now is 55.3 secs Computing kpt #: 141 total cpu time spent up to now is 55.7 secs Computing kpt #: 142 total cpu time spent up to now is 56.1 secs Computing kpt #: 143 total cpu time spent up to now is 56.5 secs Computing kpt #: 144 total cpu time spent up to now is 56.8 secs Computing kpt #: 145 total cpu time spent up to now is 57.2 secs Computing kpt #: 146 total cpu time spent up to now is 57.6 secs Computing kpt #: 147 total cpu time spent up to now is 58.0 secs Computing kpt #: 148 total cpu time spent up to now is 58.4 secs Computing kpt #: 149 total cpu time spent up to now is 58.8 secs Computing kpt #: 150 total cpu time spent up to now is 59.2 secs Computing kpt #: 151 total cpu time spent up to now is 59.6 secs Computing kpt #: 152 total cpu time spent up to now is 60.0 secs Computing kpt #: 153 total cpu time spent up to now is 60.3 secs Computing kpt #: 154 total cpu time spent up to now is 60.7 secs Computing kpt #: 155 total cpu time spent up to now is 61.1 secs Computing kpt #: 156 total cpu time spent up to now is 61.5 secs Computing kpt #: 157 total cpu time spent up to now is 61.9 secs Computing kpt #: 158 total cpu time spent up to now is 62.3 secs Computing kpt #: 159 total cpu time spent up to now is 62.7 secs Computing kpt #: 160 total cpu time spent up to now is 63.1 secs Computing kpt #: 161 total cpu time spent up to now is 63.5 secs Computing kpt #: 162 total cpu time spent up to now is 63.9 secs Computing kpt #: 163 total cpu time spent up to now is 64.3 secs Computing kpt #: 164 total cpu time spent up to now is 64.7 secs Computing kpt #: 165 total cpu time spent up to now is 65.2 secs Computing kpt #: 166 total cpu time spent up to now is 65.6 secs Computing kpt #: 167 total cpu time spent up to now is 66.0 secs Computing kpt #: 168 total cpu time spent up to now is 66.4 secs Computing kpt #: 169 total cpu time spent up to now is 66.8 secs Computing kpt #: 170 total cpu time spent up to now is 67.2 secs Computing kpt #: 171 total cpu time spent up to now is 67.6 secs Computing kpt #: 172 total cpu time spent up to now is 68.0 secs Computing kpt #: 173 total cpu time spent up to now is 68.5 secs Computing kpt #: 174 total cpu time spent up to now is 68.9 secs Computing kpt #: 175 total cpu time spent up to now is 69.3 secs Computing kpt #: 176 total cpu time spent up to now is 69.7 secs Computing kpt #: 177 total cpu time spent up to now is 70.1 secs Computing kpt #: 178 total cpu time spent up to now is 70.5 secs Computing kpt #: 179 total cpu time spent up to now is 70.8 secs Computing kpt #: 180 total cpu time spent up to now is 71.2 secs Computing kpt #: 181 total cpu time spent up to now is 71.6 secs Computing kpt #: 182 total cpu time spent up to now is 71.9 secs Computing kpt #: 183 total cpu time spent up to now is 72.3 secs Computing kpt #: 184 total cpu time spent up to now is 72.7 secs Computing kpt #: 185 total cpu time spent up to now is 73.0 secs Computing kpt #: 186 total cpu time spent up to now is 73.4 secs Computing kpt #: 187 total cpu time spent up to now is 73.8 secs Computing kpt #: 188 total cpu time spent up to now is 74.1 secs Computing kpt #: 189 total cpu time spent up to now is 74.5 secs Computing kpt #: 190 total cpu time spent up to now is 74.8 secs Computing kpt #: 191 total cpu time spent up to now is 75.2 secs Computing kpt #: 192 total cpu time spent up to now is 75.6 secs Computing kpt #: 193 total cpu time spent up to now is 75.9 secs Computing kpt #: 194 total cpu time spent up to now is 76.3 secs Computing kpt #: 195 total cpu time spent up to now is 76.7 secs Computing kpt #: 196 total cpu time spent up to now is 77.1 secs Computing kpt #: 197 total cpu time spent up to now is 77.5 secs Computing kpt #: 198 total cpu time spent up to now is 77.8 secs Computing kpt #: 199 total cpu time spent up to now is 78.2 secs Computing kpt #: 200 total cpu time spent up to now is 78.6 secs Computing kpt #: 201 total cpu time spent up to now is 79.0 secs Computing kpt #: 202 total cpu time spent up to now is 79.4 secs Computing kpt #: 203 total cpu time spent up to now is 79.8 secs Computing kpt #: 204 total cpu time spent up to now is 80.2 secs Computing kpt #: 205 total cpu time spent up to now is 80.6 secs Computing kpt #: 206 total cpu time spent up to now is 81.0 secs Computing kpt #: 207 total cpu time spent up to now is 81.4 secs Computing kpt #: 208 total cpu time spent up to now is 81.7 secs Computing kpt #: 209 total cpu time spent up to now is 82.1 secs Computing kpt #: 210 total cpu time spent up to now is 82.5 secs Computing kpt #: 211 total cpu time spent up to now is 82.9 secs Computing kpt #: 212 total cpu time spent up to now is 83.2 secs Computing kpt #: 213 total cpu time spent up to now is 83.6 secs Computing kpt #: 214 total cpu time spent up to now is 84.0 secs Computing kpt #: 215 total cpu time spent up to now is 84.3 secs Computing kpt #: 216 total cpu time spent up to now is 84.7 secs Computing kpt #: 217 total cpu time spent up to now is 85.1 secs Computing kpt #: 218 total cpu time spent up to now is 85.4 secs Computing kpt #: 219 total cpu time spent up to now is 85.8 secs Computing kpt #: 220 total cpu time spent up to now is 86.1 secs Computing kpt #: 221 total cpu time spent up to now is 86.5 secs Computing kpt #: 222 total cpu time spent up to now is 86.8 secs Computing kpt #: 223 total cpu time spent up to now is 87.2 secs Computing kpt #: 224 total cpu time spent up to now is 87.5 secs Computing kpt #: 225 total cpu time spent up to now is 87.9 secs Computing kpt #: 226 total cpu time spent up to now is 88.3 secs Computing kpt #: 227 total cpu time spent up to now is 88.6 secs Computing kpt #: 228 total cpu time spent up to now is 89.0 secs Computing kpt #: 229 total cpu time spent up to now is 89.3 secs Computing kpt #: 230 total cpu time spent up to now is 89.7 secs Computing kpt #: 231 total cpu time spent up to now is 90.0 secs Computing kpt #: 232 total cpu time spent up to now is 90.4 secs Computing kpt #: 233 total cpu time spent up to now is 90.7 secs Computing kpt #: 234 total cpu time spent up to now is 91.1 secs Computing kpt #: 235 total cpu time spent up to now is 91.4 secs Computing kpt #: 236 total cpu time spent up to now is 91.8 secs Computing kpt #: 237 total cpu time spent up to now is 92.1 secs Computing kpt #: 238 total cpu time spent up to now is 92.5 secs Computing kpt #: 239 total cpu time spent up to now is 92.9 secs Computing kpt #: 240 total cpu time spent up to now is 93.2 secs Computing kpt #: 241 total cpu time spent up to now is 93.6 secs Computing kpt #: 242 total cpu time spent up to now is 93.9 secs Computing kpt #: 243 total cpu time spent up to now is 94.3 secs Computing kpt #: 244 total cpu time spent up to now is 94.6 secs Computing kpt #: 245 total cpu time spent up to now is 95.0 secs Computing kpt #: 246 total cpu time spent up to now is 95.3 secs Computing kpt #: 247 total cpu time spent up to now is 95.7 secs Computing kpt #: 248 total cpu time spent up to now is 96.0 secs Computing kpt #: 249 total cpu time spent up to now is 96.4 secs Computing kpt #: 250 total cpu time spent up to now is 96.7 secs Computing kpt #: 251 total cpu time spent up to now is 97.1 secs Computing kpt #: 252 total cpu time spent up to now is 97.4 secs Computing kpt #: 253 total cpu time spent up to now is 97.7 secs Computing kpt #: 254 total cpu time spent up to now is 98.1 secs Computing kpt #: 255 total cpu time spent up to now is 98.4 secs Computing kpt #: 256 total cpu time spent up to now is 98.8 secs Computing kpt #: 257 total cpu time spent up to now is 99.1 secs Computing kpt #: 258 total cpu time spent up to now is 99.5 secs Computing kpt #: 259 total cpu time spent up to now is 99.8 secs Computing kpt #: 260 total cpu time spent up to now is 100.2 secs Computing kpt #: 261 total cpu time spent up to now is 100.5 secs Computing kpt #: 262 total cpu time spent up to now is 100.9 secs Computing kpt #: 263 total cpu time spent up to now is 101.2 secs Computing kpt #: 264 total cpu time spent up to now is 101.6 secs Computing kpt #: 265 total cpu time spent up to now is 101.9 secs Computing kpt #: 266 total cpu time spent up to now is 102.3 secs Computing kpt #: 267 total cpu time spent up to now is 102.6 secs Computing kpt #: 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cpu time spent up to now is 108.7 secs Computing kpt #: 284 total cpu time spent up to now is 109.1 secs Computing kpt #: 285 total cpu time spent up to now is 109.5 secs Computing kpt #: 286 total cpu time spent up to now is 109.9 secs Computing kpt #: 287 total cpu time spent up to now is 110.3 secs Computing kpt #: 288 total cpu time spent up to now is 110.8 secs Computing kpt #: 289 total cpu time spent up to now is 111.2 secs Computing kpt #: 290 total cpu time spent up to now is 111.6 secs Computing kpt #: 291 total cpu time spent up to now is 112.0 secs Computing kpt #: 292 total cpu time spent up to now is 112.4 secs Computing kpt #: 293 total cpu time spent up to now is 112.8 secs Computing kpt #: 294 total cpu time spent up to now is 113.2 secs Computing kpt #: 295 total cpu time spent up to now is 113.6 secs Computing kpt #: 296 total cpu time spent up to now is 114.0 secs Computing kpt #: 297 total cpu time spent up to now is 114.4 secs Computing kpt #: 298 total cpu time spent up to now is 114.8 secs Computing kpt #: 299 total cpu time spent up to now is 115.2 secs Computing kpt #: 300 total cpu time spent up to now is 115.6 secs Computing kpt #: 301 total cpu time spent up to now is 116.0 secs Computing kpt #: 302 total cpu time spent up to now is 116.4 secs Computing kpt #: 303 total cpu time spent up to now is 116.8 secs Computing kpt #: 304 total cpu time spent up to now is 117.2 secs Computing kpt #: 305 total cpu time spent up to now is 117.6 secs Computing kpt #: 306 total cpu time spent up to now is 118.0 secs Computing kpt #: 307 total cpu time spent up to now is 118.4 secs Computing kpt #: 308 total cpu time spent up to now is 118.8 secs Computing kpt #: 309 total cpu time spent up to now is 119.2 secs Computing kpt #: 310 total cpu time spent up to now is 119.5 secs Computing kpt #: 311 total cpu time spent up to now is 119.9 secs Computing kpt #: 312 total cpu time spent up to now is 120.3 secs Computing kpt #: 313 total cpu time spent up to now is 120.7 secs Computing kpt #: 314 total cpu time spent up to now is 121.1 secs Computing kpt #: 315 total cpu time spent up to now is 121.5 secs Computing kpt #: 316 total cpu time spent up to now is 121.9 secs Computing kpt #: 317 total cpu time spent up to now is 122.3 secs Computing kpt #: 318 total cpu time spent up to now is 122.7 secs Computing kpt #: 319 total cpu time spent up to now is 123.1 secs Computing kpt #: 320 total cpu time spent up to now is 123.4 secs Computing kpt #: 321 total cpu time spent up to now is 123.8 secs Computing kpt #: 322 total cpu time spent up to now is 124.2 secs Computing kpt #: 323 total cpu time spent up to now is 124.6 secs Computing kpt #: 324 total cpu time spent up to now is 125.0 secs Computing kpt #: 325 total cpu time spent up to now is 125.4 secs Computing kpt #: 326 total cpu time spent up to now is 125.7 secs Computing kpt #: 327 total cpu time spent up to now is 126.1 secs Computing kpt #: 328 total cpu time spent up to now is 126.5 secs Computing kpt #: 329 total cpu time spent up to now is 126.9 secs Computing kpt #: 330 total cpu time spent up to now is 127.3 secs Computing kpt #: 331 total cpu time spent up to now is 127.6 secs Computing kpt #: 332 total cpu time spent up to now is 128.0 secs Computing kpt #: 333 total cpu time spent up to now is 128.4 secs Computing kpt #: 334 total cpu time spent up to now is 128.8 secs Computing kpt #: 335 total cpu time spent up to now is 129.1 secs Computing kpt #: 336 total cpu time spent up to now is 129.5 secs Computing kpt #: 337 total cpu time spent up to now is 129.9 secs Computing kpt #: 338 total cpu time spent up to now is 130.3 secs Computing kpt #: 339 total cpu time spent up to now is 130.7 secs Computing kpt #: 340 total cpu time spent up to now is 131.1 secs Computing kpt #: 341 total cpu time spent up to now is 131.5 secs Computing kpt #: 342 total cpu time spent up to now is 131.9 secs Computing kpt #: 343 total cpu time spent up to now is 132.3 secs Computing kpt #: 344 total cpu time spent up to now is 132.7 secs Computing kpt #: 345 total cpu time spent up to now is 133.1 secs Computing kpt #: 346 total cpu time spent up to now is 133.5 secs Computing kpt #: 347 total cpu time spent up to now is 133.9 secs Computing kpt #: 348 total cpu time spent up to now is 137.7 secs Computing kpt #: 349 total cpu time spent up to now is 138.1 secs Computing kpt #: 350 total cpu time spent up to now is 138.5 secs Computing kpt #: 351 total cpu time spent up to now is 138.8 secs Computing kpt #: 352 total cpu time spent up to now is 139.2 secs Computing kpt #: 353 total cpu time spent up to now is 139.6 secs Computing kpt #: 354 total cpu time spent up to now is 140.0 secs Computing kpt #: 355 total cpu time spent up to now is 140.4 secs Computing kpt #: 356 total cpu time spent up to now is 140.8 secs Computing kpt #: 357 total cpu time spent up to now is 141.2 secs Computing kpt #: 358 total cpu time spent up to now is 141.5 secs Computing kpt #: 359 total cpu time spent up to now is 141.9 secs Computing kpt #: 360 total cpu time spent up to now is 142.3 secs Computing kpt #: 361 total cpu time spent up to now is 142.7 secs Computing kpt #: 362 total cpu time spent up to now is 143.1 secs Computing kpt #: 363 total cpu time spent up to now is 143.4 secs Computing kpt #: 364 total cpu time spent up to now is 143.8 secs Computing kpt #: 365 total cpu time spent up to now is 144.2 secs Computing kpt #: 366 total cpu time spent up to now is 144.6 secs Computing kpt #: 367 total cpu time spent up to now is 144.9 secs Computing kpt #: 368 total cpu time spent up to now is 145.3 secs Computing kpt #: 369 total cpu time spent up to now is 145.7 secs Computing kpt #: 370 total cpu time spent up to now is 146.1 secs Computing kpt #: 371 total cpu time spent up to now is 146.4 secs Computing kpt #: 372 total cpu time spent up to now is 146.8 secs Computing kpt #: 373 total cpu time spent up to now is 147.2 secs Computing kpt #: 374 total cpu time spent up to now is 147.6 secs Computing kpt #: 375 total cpu time spent up to now is 148.0 secs Computing kpt #: 376 total cpu time spent up to now is 148.4 secs ethr = 2.94E-08, avg # of iterations = 15.1 total cpu time spent up to now is 148.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3057 PWs) bands (ev): -40.1967 -40.1967 -12.4355 -12.4355 -12.1477 -12.1477 -12.0539 -12.0539 -9.0592 -9.0592 -8.0139 -8.0139 -6.5453 -6.5453 -6.3865 -6.3865 -5.7523 -5.7523 -5.5477 -5.5477 -5.4391 -5.4391 1.7427 1.7427 6.5475 6.5475 7.0023 7.0023 7.0205 7.0205 7.2894 7.2894 7.3207 7.3207 7.9847 7.9847 13.3174 13.3174 18.4573 18.4573 19.3654 19.3654 k = 0.0088-0.0138-0.0084 ( 3061 PWs) bands (ev): -40.1967 -40.1967 -12.4355 -12.4355 -12.1479 -12.1479 -12.0541 -12.0541 -9.0584 -9.0584 -8.0142 -8.0142 -6.5452 -6.5452 -6.3863 -6.3863 -5.7522 -5.7522 -5.5476 -5.5476 -5.4390 -5.4390 1.7437 1.7437 6.5440 6.5440 7.0028 7.0028 7.0211 7.0211 7.2847 7.2847 7.3168 7.3168 7.9929 7.9929 13.3194 13.3194 18.4585 18.4585 19.3577 19.3577 k = 0.0175-0.0275-0.0168 ( 3061 PWs) bands (ev): -40.1967 -40.1967 -12.4352 -12.4352 -12.1484 -12.1484 -12.0547 -12.0547 -9.0562 -9.0562 -8.0153 -8.0153 -6.5447 -6.5447 -6.3858 -6.3858 -5.7517 -5.7517 -5.5472 -5.5472 -5.4388 -5.4388 1.7465 1.7465 6.5338 6.5338 7.0041 7.0041 7.0233 7.0233 7.2669 7.2669 7.3099 7.3099 8.0164 8.0164 13.3256 13.3256 18.4622 18.4622 19.3344 19.3344 k = 0.0263-0.0413-0.0252 ( 3059 PWs) bands (ev): -40.1966 -40.1966 -12.4347 -12.4347 -12.1491 -12.1491 -12.0556 -12.0556 -9.0525 -9.0525 -8.0171 -8.0171 -6.5439 -6.5439 -6.3850 -6.3850 -5.7509 -5.7509 -5.5466 -5.5466 -5.4385 -5.4385 1.7513 1.7513 6.5174 6.5174 7.0048 7.0048 7.0277 7.0277 7.2340 7.2340 7.3050 7.3050 8.0525 8.0525 13.3359 13.3359 18.4683 18.4683 19.2949 19.2949 k = 0.0351-0.0551-0.0336 ( 3055 PWs) bands (ev): -40.1966 -40.1966 -12.4341 -12.4341 -12.1502 -12.1502 -12.0568 -12.0568 -9.0473 -9.0473 -8.0196 -8.0196 -6.5428 -6.5428 -6.3838 -6.3838 -5.7498 -5.7498 -5.5457 -5.5457 -5.4381 -5.4381 1.7580 1.7580 6.4954 6.4954 7.0042 7.0042 7.0345 7.0345 7.1900 7.1900 7.3011 7.3011 8.0980 8.0980 13.3503 13.3503 18.4764 18.4764 19.2384 19.2384 k = 0.0439-0.0688-0.0420 ( 3062 PWs) bands (ev): -40.1965 -40.1965 -12.4333 -12.4333 -12.1517 -12.1517 -12.0584 -12.0584 -9.0408 -9.0408 -8.0228 -8.0228 -6.5413 -6.5413 -6.3823 -6.3823 -5.7484 -5.7484 -5.5445 -5.5445 -5.4376 -5.4376 1.7666 1.7666 6.4686 6.4686 7.0025 7.0025 7.0422 7.0422 7.1392 7.1392 7.2971 7.2971 8.1501 8.1501 13.3687 13.3687 18.4862 18.4862 19.1642 19.1642 k = 0.0526-0.0826-0.0504 ( 3059 PWs) bands (ev): -40.1964 -40.1964 -12.4323 -12.4323 -12.1534 -12.1534 -12.0602 -12.0602 -9.0328 -9.0328 -8.0266 -8.0266 -6.5397 -6.5397 -6.3805 -6.3805 -5.7468 -5.7468 -5.5431 -5.5431 -5.4369 -5.4369 1.7771 1.7771 6.4376 6.4376 6.9997 6.9997 7.0465 7.0465 7.0879 7.0879 7.2928 7.2928 8.2067 8.2067 13.3910 13.3910 18.4966 18.4966 19.0729 19.0729 k = 0.0614-0.0963-0.0588 ( 3059 PWs) bands (ev): -40.1963 -40.1963 -12.4312 -12.4312 -12.1555 -12.1555 -12.0623 -12.0623 -9.0234 -9.0234 -8.0311 -8.0311 -6.5377 -6.5377 -6.3783 -6.3783 -5.7448 -5.7448 -5.5415 -5.5415 -5.4361 -5.4361 1.7895 1.7895 6.4030 6.4030 6.9953 6.9953 7.0146 7.0146 7.0706 7.0706 7.2879 7.2879 8.2664 8.2664 13.4171 13.4171 18.5054 18.5054 18.9668 18.9668 k = 0.0702-0.1101-0.0672 ( 3061 PWs) bands (ev): -40.1961 -40.1961 -12.4299 -12.4299 -12.1580 -12.1580 -12.0645 -12.0645 -9.0127 -9.0127 -8.0361 -8.0361 -6.5356 -6.5356 -6.3758 -6.3758 -5.7426 -5.7426 -5.5397 -5.5397 -5.4351 -5.4351 1.8037 1.8037 6.3655 6.3655 6.9527 6.9527 6.9937 6.9937 7.0772 7.0772 7.2825 7.2825 8.3280 8.3280 13.4470 13.4470 18.5063 18.5063 18.8535 18.8535 k = 0.0789-0.1239-0.0756 ( 3065 PWs) bands (ev): -40.1960 -40.1960 -12.4285 -12.4285 -12.1608 -12.1608 -12.0670 -12.0670 -9.0007 -9.0007 -8.0417 -8.0417 -6.5333 -6.5333 -6.3729 -6.3729 -5.7402 -5.7402 -5.5377 -5.5377 -5.4340 -5.4340 1.8198 1.8198 6.3255 6.3255 6.8898 6.8898 6.9888 6.9888 7.0853 7.0853 7.2764 7.2764 8.3908 8.3908 13.4805 13.4805 18.4808 18.4808 18.7535 18.7535 k = 0.0877-0.1376-0.0840 ( 3062 PWs) bands (ev): -40.1958 -40.1958 -12.4269 -12.4269 -12.1641 -12.1641 -12.0696 -12.0696 -8.9875 -8.9875 -8.0478 -8.0478 -6.5308 -6.5308 -6.3698 -6.3698 -5.7375 -5.7375 -5.5355 -5.5355 -5.4327 -5.4327 1.8378 1.8378 6.2835 6.2835 6.8250 6.8250 6.9837 6.9837 7.0930 7.0930 7.2696 7.2696 8.4542 8.4542 13.5175 13.5175 18.3966 18.3966 18.7013 18.7013 k = 0.0965-0.1514-0.0924 ( 3066 PWs) bands (ev): -40.1956 -40.1956 -12.4253 -12.4253 -12.1677 -12.1677 -12.0722 -12.0722 -8.9732 -8.9732 -8.0543 -8.0543 -6.5281 -6.5281 -6.3663 -6.3663 -5.7346 -5.7346 -5.5331 -5.5331 -5.4312 -5.4312 1.8576 1.8576 6.2398 6.2398 6.7593 6.7593 6.9781 6.9781 7.0997 7.0997 7.2623 7.2623 8.5178 8.5178 13.5578 13.5578 18.2569 18.2569 18.6960 18.6960 k = 0.1053-0.1652-0.1008 ( 3069 PWs) bands (ev): -40.1954 -40.1954 -12.4235 -12.4235 -12.1717 -12.1717 -12.0749 -12.0749 -8.9577 -8.9577 -8.0613 -8.0613 -6.5254 -6.5254 -6.3625 -6.3625 -5.7315 -5.7315 -5.5306 -5.5306 -5.4294 -5.4294 1.8792 1.8792 6.1947 6.1947 6.6932 6.6932 6.9721 6.9721 7.1050 7.1050 7.2544 7.2544 8.5813 8.5813 13.6014 13.6014 18.0893 18.0893 18.7121 18.7121 k = 0.1140-0.1789-0.1092 ( 3070 PWs) bands (ev): -40.1952 -40.1952 -12.4217 -12.4217 -12.1761 -12.1761 -12.0776 -12.0776 -8.9412 -8.9412 -8.0686 -8.0686 -6.5226 -6.5226 -6.3584 -6.3584 -5.7282 -5.7282 -5.5279 -5.5279 -5.4275 -5.4275 1.9027 1.9027 6.1486 6.1486 6.6269 6.6269 6.9657 6.9657 7.1090 7.1090 7.2459 7.2459 8.6444 8.6444 13.6479 13.6479 17.9075 17.9075 18.7377 18.7377 k = 0.1228-0.1927-0.1176 ( 3075 PWs) bands (ev): -40.1949 -40.1949 -12.4197 -12.4197 -12.1809 -12.1809 -12.0802 -12.0802 -8.9237 -8.9237 -8.0762 -8.0762 -6.5198 -6.5198 -6.3539 -6.3539 -5.7247 -5.7247 -5.5251 -5.5251 -5.4252 -5.4252 1.9279 1.9279 6.1016 6.1016 6.5606 6.5606 6.9588 6.9588 7.1113 7.1113 7.2369 7.2369 8.7069 8.7069 13.6973 13.6973 17.7172 17.7172 18.7685 18.7685 k = 0.1316-0.2065-0.1260 ( 3072 PWs) bands (ev): -40.1947 -40.1947 -12.4178 -12.4178 -12.1860 -12.1860 -12.0828 -12.0828 -8.9053 -8.9053 -8.0841 -8.0841 -6.5170 -6.5170 -6.3492 -6.3492 -5.7211 -5.7211 -5.5222 -5.5222 -5.4228 -5.4228 1.9550 1.9550 6.0541 6.0541 6.4944 6.4944 6.9516 6.9516 7.1120 7.1120 7.2274 7.2274 8.7687 8.7687 13.7494 13.7494 17.5215 17.5215 18.8027 18.8027 k = 0.1404-0.2202-0.1344 ( 3076 PWs) bands (ev): -40.1944 -40.1944 -12.4158 -12.4158 -12.1915 -12.1915 -12.0853 -12.0853 -8.8861 -8.8861 -8.0921 -8.0921 -6.5143 -6.5143 -6.3442 -6.3442 -5.7174 -5.7174 -5.5193 -5.5193 -5.4200 -5.4200 1.9837 1.9837 6.0063 6.0063 6.4285 6.4285 6.9440 6.9440 7.1110 7.1110 7.2173 7.2173 8.8297 8.8297 13.8038 13.8038 17.3222 17.3222 18.8389 18.8389 k = 0.1491-0.2340-0.1428 ( 3073 PWs) bands (ev): -40.1941 -40.1941 -12.4138 -12.4138 -12.1972 -12.1972 -12.0877 -12.0877 -8.8661 -8.8661 -8.1003 -8.1003 -6.5115 -6.5115 -6.3389 -6.3389 -5.7135 -5.7135 -5.5162 -5.5162 -5.4170 -5.4170 2.0142 2.0142 5.9583 5.9583 6.3631 6.3631 6.9360 6.9360 7.1083 7.1083 7.2068 7.2068 8.8897 8.8897 13.8604 13.8604 17.1208 17.1208 18.8750 18.8750 k = 0.1579-0.2477-0.1512 ( 3078 PWs) bands (ev): -40.1938 -40.1938 -12.4119 -12.4119 -12.2031 -12.2031 -12.0901 -12.0901 -8.8455 -8.8455 -8.1086 -8.1086 -6.5089 -6.5089 -6.3334 -6.3334 -5.7096 -5.7096 -5.5131 -5.5131 -5.4136 -5.4136 2.0464 2.0464 5.9103 5.9103 6.2980 6.2980 6.9278 6.9278 7.1037 7.1037 7.1958 7.1958 8.9486 8.9486 13.9189 13.9189 16.9185 16.9185 18.8771 18.8771 k = 0.1667-0.2615-0.1595 ( 3079 PWs) bands (ev): -40.1935 -40.1935 -12.4100 -12.4100 -12.2092 -12.2092 -12.0923 -12.0923 -8.8243 -8.8243 -8.1169 -8.1169 -6.5064 -6.5064 -6.3276 -6.3276 -5.7056 -5.7056 -5.5100 -5.5100 -5.4100 -5.4100 2.0803 2.0803 5.8624 5.8624 6.2336 6.2336 6.9192 6.9192 7.0973 7.0973 7.1845 7.1845 9.0065 9.0065 13.9789 13.9789 16.7161 16.7161 18.8102 18.8102 k = 0.1754-0.2753-0.1679 ( 3078 PWs) bands (ev): -40.1932 -40.1932 -12.4083 -12.4083 -12.2153 -12.2153 -12.0944 -12.0944 -8.8027 -8.8027 -8.1252 -8.1252 -6.5039 -6.5039 -6.3216 -6.3216 -5.7016 -5.7016 -5.5068 -5.5068 -5.4061 -5.4061 2.1158 2.1158 5.8147 5.8147 6.1700 6.1700 6.9104 6.9104 7.0891 7.0891 7.1727 7.1727 9.0634 9.0634 14.0403 14.0403 16.5145 16.5145 18.7373 18.7373 k = 0.1842-0.2890-0.1763 ( 3076 PWs) bands (ev): -40.1929 -40.1929 -12.4067 -12.4067 -12.2214 -12.2214 -12.0965 -12.0965 -8.7806 -8.7806 -8.1335 -8.1335 -6.5017 -6.5017 -6.3154 -6.3154 -5.6975 -5.6975 -5.5037 -5.5037 -5.4018 -5.4018 2.1529 2.1529 5.7673 5.7673 6.1072 6.1072 6.9013 6.9013 7.0790 7.0790 7.1606 7.1606 9.1191 9.1191 14.1024 14.1024 16.3146 16.3146 18.6639 18.6639 k = 0.1930-0.3028-0.1847 ( 3068 PWs) bands (ev): -40.1926 -40.1926 -12.4054 -12.4054 -12.2275 -12.2275 -12.0984 -12.0984 -8.7582 -8.7582 -8.1416 -8.1416 -6.4995 -6.4995 -6.3091 -6.3091 -5.6934 -5.6934 -5.5004 -5.5004 -5.3972 -5.3972 2.1917 2.1917 5.7203 5.7203 6.0455 6.0455 6.8920 6.8920 7.0671 7.0671 7.1481 7.1481 9.1736 9.1736 14.1647 14.1647 16.1173 16.1173 18.5906 18.5906 k = 0.2018-0.3166-0.1931 ( 3068 PWs) bands (ev): -40.1922 -40.1922 -12.4043 -12.4043 -12.2334 -12.2334 -12.1002 -12.1002 -8.7357 -8.7357 -8.1496 -8.1496 -6.4975 -6.4975 -6.3025 -6.3025 -5.6894 -5.6894 -5.4972 -5.4972 -5.3924 -5.3924 2.2320 2.2320 5.6736 5.6736 5.9850 5.9850 6.8825 6.8825 7.0533 7.0533 7.1354 7.1354 9.2271 9.2271 14.2264 14.2264 15.9236 15.9236 18.5176 18.5176 k = 0.2105-0.3303-0.2015 ( 3067 PWs) bands (ev): -40.1919 -40.1919 -12.4036 -12.4036 -12.2391 -12.2391 -12.1019 -12.1019 -8.7130 -8.7130 -8.1574 -8.1574 -6.4957 -6.4957 -6.2959 -6.2959 -5.6853 -5.6853 -5.4940 -5.4940 -5.3872 -5.3872 2.2738 2.2738 5.6272 5.6272 5.9259 5.9259 6.8729 6.8729 7.0376 7.0376 7.1224 7.1224 9.2794 9.2794 14.2864 14.2864 15.7349 15.7349 18.4453 18.4453 k = 0.2193-0.3441-0.2099 ( 3068 PWs) bands (ev): -40.1915 -40.1915 -12.4033 -12.4033 -12.2445 -12.2445 -12.1036 -12.1036 -8.6903 -8.6903 -8.1649 -8.1649 -6.4940 -6.4940 -6.2892 -6.2892 -5.6813 -5.6813 -5.4907 -5.4907 -5.3817 -5.3817 2.3172 2.3172 5.5811 5.5811 5.8684 5.8684 6.8631 6.8631 7.0201 7.0201 7.1091 7.1091 9.3306 9.3306 14.3426 14.3426 15.5532 15.5532 18.3736 18.3736 k = 0.2281-0.3579-0.2183 ( 3068 PWs) bands (ev): -40.1912 -40.1912 -12.4034 -12.4034 -12.2494 -12.2494 -12.1052 -12.1052 -8.6676 -8.6676 -8.1721 -8.1721 -6.4925 -6.4925 -6.2824 -6.2824 -5.6774 -5.6774 -5.4874 -5.4874 -5.3760 -5.3760 2.3619 2.3619 5.5350 5.5350 5.8129 5.8129 6.8531 6.8531 7.0007 7.0007 7.0957 7.0957 9.3808 9.3808 14.3916 14.3916 15.3823 15.3823 18.3029 18.3029 k = 0.2368-0.3716-0.2267 ( 3072 PWs) bands (ev): -40.1908 -40.1908 -12.4041 -12.4041 -12.2539 -12.2539 -12.1067 -12.1067 -8.6451 -8.6451 -8.1791 -8.1791 -6.4912 -6.4912 -6.2756 -6.2756 -5.6735 -5.6735 -5.4841 -5.4841 -5.3700 -5.3700 2.4081 2.4081 5.4889 5.4889 5.7594 5.7594 6.8431 6.8431 6.9794 6.9794 7.0823 7.0823 9.4300 9.4300 14.4269 14.4269 15.2287 15.2287 18.2333 18.2333 k = 0.2456-0.3854-0.2351 ( 3074 PWs) bands (ev): -40.1905 -40.1905 -12.4053 -12.4053 -12.2578 -12.2578 -12.1082 -12.1082 -8.6229 -8.6229 -8.1856 -8.1856 -6.4900 -6.4900 -6.2687 -6.2687 -5.6698 -5.6698 -5.4808 -5.4808 -5.3638 -5.3638 2.4557 2.4557 5.4426 5.4426 5.7084 5.7084 6.8329 6.8329 6.9563 6.9563 7.0687 7.0687 9.4782 9.4782 14.4363 14.4363 15.1046 15.1046 18.1648 18.1648 k = 0.2544-0.3992-0.2435 ( 3073 PWs) bands (ev): -40.1901 -40.1901 -12.4072 -12.4072 -12.2610 -12.2610 -12.1095 -12.1095 -8.6010 -8.6010 -8.1917 -8.1917 -6.4890 -6.4890 -6.2619 -6.2619 -5.6661 -5.6661 -5.4774 -5.4774 -5.3573 -5.3573 2.5046 2.5046 5.3961 5.3961 5.6600 5.6600 6.8227 6.8227 6.9313 6.9313 7.0552 7.0552 9.5255 9.5255 14.4034 14.4034 15.0265 15.0265 18.0976 18.0976 k = 0.2632-0.4129-0.2519 ( 3078 PWs) bands (ev): -40.1898 -40.1898 -12.4096 -12.4096 -12.2637 -12.2637 -12.1108 -12.1108 -8.5795 -8.5795 -8.1974 -8.1974 -6.4881 -6.4881 -6.2551 -6.2551 -5.6625 -5.6625 -5.4741 -5.4741 -5.3507 -5.3507 2.5548 2.5548 5.3492 5.3492 5.6143 5.6143 6.8124 6.8124 6.9046 6.9046 7.0418 7.0418 9.5720 9.5720 14.3212 14.3212 15.0014 15.0014 18.0318 18.0318 k = 0.2719-0.4267-0.2603 ( 3076 PWs) bands (ev): -40.1894 -40.1894 -12.4126 -12.4126 -12.2657 -12.2657 -12.1120 -12.1120 -8.5586 -8.5586 -8.2026 -8.2026 -6.4874 -6.4874 -6.2483 -6.2483 -5.6590 -5.6590 -5.4707 -5.4707 -5.3439 -5.3439 2.6062 2.6062 5.3019 5.3019 5.5716 5.5716 6.8021 6.8021 6.8761 6.8761 7.0285 7.0285 9.6176 9.6176 14.2020 14.2020 15.0170 15.0170 17.9677 17.9677 k = 0.2807-0.4404-0.2687 ( 3074 PWs) bands (ev): -40.1891 -40.1891 -12.4161 -12.4161 -12.2671 -12.2671 -12.1131 -12.1131 -8.5383 -8.5383 -8.2073 -8.2073 -6.4868 -6.4868 -6.2417 -6.2417 -5.6556 -5.6556 -5.4673 -5.4673 -5.3369 -5.3369 2.6588 2.6588 5.2542 5.2542 5.5318 5.5318 6.7916 6.7916 6.8460 6.8460 7.0153 7.0153 9.6626 9.6626 14.0631 14.0631 15.0562 15.0562 17.9051 17.9051 k = 0.2895-0.4542-0.2771 ( 3076 PWs) bands (ev): -40.1887 -40.1887 -12.4202 -12.4202 -12.2680 -12.2680 -12.1142 -12.1142 -8.5187 -8.5187 -8.2115 -8.2115 -6.4863 -6.4863 -6.2351 -6.2351 -5.6524 -5.6524 -5.4640 -5.4640 -5.3298 -5.3298 2.7124 2.7124 5.2063 5.2063 5.4948 5.4948 6.7805 6.7805 6.8147 6.8147 7.0024 7.0024 9.7069 9.7069 13.9154 13.9154 15.1079 15.1079 17.8444 17.8444 k = 0.2982-0.4680-0.2855 ( 3078 PWs) bands (ev): -40.1884 -40.1884 -12.4246 -12.4246 -12.2683 -12.2683 -12.1152 -12.1152 -8.4999 -8.4999 -8.2151 -8.2151 -6.4860 -6.4860 -6.2287 -6.2287 -5.6492 -5.6492 -5.4606 -5.4606 -5.3226 -5.3226 2.7672 2.7672 5.1583 5.1583 5.4605 5.4605 6.7667 6.7667 6.7847 6.7847 6.9898 6.9898 9.7507 9.7507 13.7647 13.7647 15.1663 15.1663 17.7855 17.7855 k = 0.3070-0.4817-0.2939 ( 3078 PWs) bands (ev): -40.1880 -40.1880 -12.4294 -12.4294 -12.2682 -12.2682 -12.1161 -12.1161 -8.4820 -8.4820 -8.2180 -8.2180 -6.4858 -6.4858 -6.2224 -6.2224 -5.6462 -5.6462 -5.4573 -5.4573 -5.3153 -5.3153 2.8229 2.8229 5.1104 5.1104 5.4288 5.4288 6.7401 6.7401 6.7661 6.7661 6.9775 6.9775 9.7940 9.7940 13.6143 13.6143 15.2283 15.2283 17.7285 17.7285 k = 0.3158-0.4955-0.3023 ( 3083 PWs) bands (ev): -40.1877 -40.1877 -12.4344 -12.4344 -12.2677 -12.2677 -12.1170 -12.1170 -8.4650 -8.4650 -8.2204 -8.2204 -6.4856 -6.4856 -6.2163 -6.2163 -5.6433 -5.6433 -5.4540 -5.4540 -5.3080 -5.3080 2.8794 2.8794 5.0628 5.0628 5.3994 5.3994 6.7051 6.7051 6.7546 6.7546 6.9655 6.9655 9.8369 9.8369 13.4656 13.4656 15.2923 15.2923 17.6737 17.6737 k = 0.3246-0.5093-0.3107 ( 3083 PWs) bands (ev): -40.1874 -40.1874 -12.4396 -12.4396 -12.2669 -12.2669 -12.1178 -12.1178 -8.4491 -8.4491 -8.2220 -8.2220 -6.4856 -6.4856 -6.2103 -6.2103 -5.6406 -5.6406 -5.4507 -5.4507 -5.3007 -5.3007 2.9368 2.9368 5.0158 5.0158 5.3721 5.3721 6.6677 6.6677 6.7443 6.7443 6.9539 6.9539 9.8794 9.8794 13.3198 13.3198 15.3570 15.3570 17.6210 17.6210 k = 0.3333-0.5230-0.3191 ( 3081 PWs) bands (ev): -40.1871 -40.1871 -12.4449 -12.4449 -12.2658 -12.2658 -12.1185 -12.1185 -8.4343 -8.4343 -8.2230 -8.2230 -6.4856 -6.4856 -6.2046 -6.2046 -5.6379 -5.6379 -5.4475 -5.4475 -5.2934 -5.2934 2.9948 2.9948 4.9695 4.9695 5.3468 5.3468 6.6288 6.6288 6.7346 6.7346 6.9427 6.9427 9.9216 9.9216 13.1774 13.1774 15.4220 15.4220 17.5705 17.5705 k = 0.3421-0.5368-0.3275 ( 3082 PWs) bands (ev): -40.1868 -40.1868 -12.4503 -12.4503 -12.2646 -12.2646 -12.1192 -12.1192 -8.4206 -8.4206 -8.2233 -8.2233 -6.4858 -6.4858 -6.1991 -6.1991 -5.6354 -5.6354 -5.4443 -5.4443 -5.2862 -5.2862 3.0535 3.0535 4.9241 4.9241 5.3231 5.3231 6.5890 6.5890 6.7251 6.7251 6.9319 6.9319 9.9636 9.9636 13.0390 13.0390 15.4867 15.4867 17.5224 17.5224 k = 0.3509-0.5506-0.3359 ( 3080 PWs) bands (ev): -40.1865 -40.1865 -12.4556 -12.4556 -12.2632 -12.2632 -12.1198 -12.1198 -8.4082 -8.4082 -8.2229 -8.2229 -6.4859 -6.4859 -6.1938 -6.1938 -5.6330 -5.6330 -5.4412 -5.4412 -5.2791 -5.2791 3.1125 3.1125 4.8797 4.8797 5.3010 5.3010 6.5484 6.5484 6.7160 6.7160 6.9217 6.9217 10.0055 10.0055 12.9049 12.9049 15.5507 15.5507 17.4767 17.4767 k = 0.3596-0.5643-0.3443 ( 3082 PWs) bands (ev): -40.1862 -40.1862 -12.4609 -12.4609 -12.2618 -12.2618 -12.1203 -12.1203 -8.3970 -8.3970 -8.2218 -8.2218 -6.4862 -6.4862 -6.1887 -6.1887 -5.6307 -5.6307 -5.4382 -5.4382 -5.2721 -5.2721 3.1719 3.1719 4.8365 4.8365 5.2803 5.2803 6.5073 6.5073 6.7072 6.7072 6.9119 6.9119 10.0473 10.0473 12.7752 12.7752 15.6137 15.6137 17.4335 17.4335 k = 0.3684-0.5781-0.3527 ( 3082 PWs) bands (ev): -40.1859 -40.1859 -12.4660 -12.4660 -12.2602 -12.2602 -12.1208 -12.1208 -8.3870 -8.3870 -8.2201 -8.2201 -6.4864 -6.4864 -6.1839 -6.1839 -5.6286 -5.6286 -5.4352 -5.4352 -5.2653 -5.2653 3.2314 3.2314 4.7946 4.7946 5.2608 5.2608 6.4661 6.4661 6.6987 6.6987 6.9027 6.9027 10.0889 10.0889 12.6503 12.6503 15.6754 15.6754 17.3929 17.3929 k = 0.3772-0.5918-0.3611 ( 3083 PWs) bands (ev): -40.1857 -40.1857 -12.4710 -12.4710 -12.2587 -12.2587 -12.1212 -12.1212 -8.3782 -8.3782 -8.2179 -8.2179 -6.4867 -6.4867 -6.1794 -6.1794 -5.6266 -5.6266 -5.4324 -5.4324 -5.2587 -5.2587 3.2909 3.2909 4.7539 4.7539 5.2423 5.2423 6.4249 6.4249 6.6905 6.6905 6.8939 6.8939 10.1306 10.1306 12.5302 12.5302 15.7357 15.7357 17.3550 17.3550 k = 0.3860-0.6056-0.3695 ( 3083 PWs) bands (ev): -40.1854 -40.1854 -12.4757 -12.4757 -12.2572 -12.2572 -12.1215 -12.1215 -8.3705 -8.3705 -8.2151 -8.2151 -6.4871 -6.4871 -6.1751 -6.1751 -5.6247 -5.6247 -5.4298 -5.4298 -5.2523 -5.2523 3.3501 3.3501 4.7147 4.7147 5.2247 5.2247 6.3842 6.3842 6.6828 6.6828 6.8858 6.8858 10.1721 10.1721 12.4152 12.4152 15.7942 15.7942 17.3198 17.3198 k = 0.3947-0.6194-0.3779 ( 3084 PWs) bands (ev): -40.1852 -40.1852 -12.4802 -12.4802 -12.2557 -12.2557 -12.1218 -12.1218 -8.3639 -8.3639 -8.2120 -8.2120 -6.4874 -6.4874 -6.1712 -6.1712 -5.6229 -5.6229 -5.4272 -5.4272 -5.2463 -5.2463 3.4088 3.4088 4.6770 4.6770 5.2079 5.2079 6.3442 6.3442 6.6755 6.6755 6.8782 6.8782 10.2135 10.2135 12.3053 12.3053 15.8507 15.8507 17.2875 17.2875 k = 0.4035-0.6331-0.3863 ( 3088 PWs) bands (ev): -40.1850 -40.1850 -12.4845 -12.4845 -12.2544 -12.2544 -12.1221 -12.1221 -8.3582 -8.3582 -8.2086 -8.2086 -6.4877 -6.4877 -6.1675 -6.1675 -5.6213 -5.6213 -5.4248 -5.4248 -5.2405 -5.2405 3.4667 3.4667 4.6408 4.6408 5.1919 5.1919 6.3054 6.3054 6.6686 6.6686 6.8712 6.8712 10.2548 10.2548 12.2009 12.2009 15.9049 15.9049 17.2580 17.2580 k = 0.4123-0.6469-0.3947 ( 3089 PWs) bands (ev): -40.1848 -40.1848 -12.4884 -12.4884 -12.2530 -12.2530 -12.1223 -12.1223 -8.3534 -8.3534 -8.2052 -8.2052 -6.4881 -6.4881 -6.1641 -6.1641 -5.6198 -5.6198 -5.4226 -5.4226 -5.2352 -5.2352 3.5234 3.5234 4.6061 4.6061 5.1766 5.1766 6.2682 6.2682 6.6622 6.6622 6.8648 6.8648 10.2957 10.2957 12.1020 12.1020 15.9566 15.9566 17.2315 17.2315 k = 0.4211-0.6607-0.4031 ( 3089 PWs) bands (ev): -40.1846 -40.1846 -12.4921 -12.4921 -12.2518 -12.2518 -12.1225 -12.1225 -8.3493 -8.3493 -8.2017 -8.2017 -6.4884 -6.4884 -6.1610 -6.1610 -5.6184 -5.6184 -5.4205 -5.4205 -5.2302 -5.2302 3.5787 3.5787 4.5729 4.5729 5.1619 5.1619 6.2330 6.2330 6.6563 6.6563 6.8589 6.8589 10.3361 10.3361 12.0091 12.0091 16.0053 16.0053 17.2079 17.2079 k = 0.4298-0.6744-0.4115 ( 3090 PWs) bands (ev): -40.1845 -40.1845 -12.4954 -12.4954 -12.2507 -12.2507 -12.1226 -12.1226 -8.3459 -8.3459 -8.1983 -8.1983 -6.4888 -6.4888 -6.1582 -6.1582 -5.6171 -5.6171 -5.4186 -5.4186 -5.2256 -5.2256 3.6320 3.6320 4.5414 4.5414 5.1480 5.1480 6.2001 6.2001 6.6509 6.6509 6.8537 6.8537 10.3756 10.3756 11.9224 11.9224 16.0507 16.0507 17.1874 17.1874 k = 0.4386-0.6882-0.4199 ( 3090 PWs) bands (ev): -40.1843 -40.1843 -12.4983 -12.4983 -12.2497 -12.2497 -12.1227 -12.1227 -8.3430 -8.3430 -8.1951 -8.1951 -6.4891 -6.4891 -6.1558 -6.1558 -5.6160 -5.6160 -5.4169 -5.4169 -5.2215 -5.2215 3.6827 3.6827 4.5115 4.5115 5.1350 5.1350 6.1700 6.1700 6.6461 6.6461 6.8491 6.8491 10.4139 10.4139 11.8424 11.8424 16.0924 16.0924 17.1700 17.1700 k = 0.4474-0.7020-0.4283 ( 3088 PWs) bands (ev): -40.1842 -40.1842 -12.5009 -12.5009 -12.2487 -12.2487 -12.1228 -12.1228 -8.3407 -8.3407 -8.1921 -8.1921 -6.4893 -6.4893 -6.1536 -6.1536 -5.6151 -5.6151 -5.4154 -5.4154 -5.2179 -5.2179 3.7303 3.7303 4.4836 4.4836 5.1229 5.1229 6.1431 6.1431 6.6419 6.6419 6.8451 6.8451 10.4504 10.4504 11.7697 11.7697 16.1300 16.1300 17.1554 17.1554 k = 0.4561-0.7157-0.4367 ( 3091 PWs) bands (ev): -40.1841 -40.1841 -12.5031 -12.5031 -12.2480 -12.2480 -12.1229 -12.1229 -8.3388 -8.3388 -8.1896 -8.1896 -6.4896 -6.4896 -6.1518 -6.1518 -5.6143 -5.6143 -5.4142 -5.4142 -5.2149 -5.2149 3.7738 3.7738 4.4578 4.4578 5.1121 5.1121 6.1197 6.1197 6.6383 6.6383 6.8417 6.8417 10.4843 10.4843 11.7052 11.7052 16.1629 16.1629 17.1438 17.1438 k = 0.4649-0.7295-0.4451 ( 3085 PWs) bands (ev): -40.1840 -40.1840 -12.5049 -12.5049 -12.2474 -12.2474 -12.1229 -12.1229 -8.3373 -8.3373 -8.1874 -8.1874 -6.4898 -6.4898 -6.1503 -6.1503 -5.6136 -5.6136 -5.4131 -5.4131 -5.2123 -5.2123 3.8122 3.8122 4.4348 4.4348 5.1028 5.1028 6.1001 6.1001 6.6354 6.6354 6.8389 6.8389 10.5146 10.5146 11.6498 11.6498 16.1906 16.1906 17.1348 17.1348 k = 0.4737-0.7432-0.4535 ( 3076 PWs) bands (ev): -40.1839 -40.1839 -12.5062 -12.5062 -12.2468 -12.2468 -12.1229 -12.1229 -8.3361 -8.3361 -8.1857 -8.1857 -6.4899 -6.4899 -6.1492 -6.1492 -5.6131 -5.6131 -5.4123 -5.4123 -5.2103 -5.2103 3.8444 3.8444 4.4153 4.4153 5.0951 5.0951 6.0846 6.0846 6.6331 6.6331 6.8368 6.8368 10.5401 10.5401 11.6047 11.6047 16.2128 16.2128 17.1282 17.1282 k = 0.4825-0.7570-0.4618 ( 3080 PWs) bands (ev): -40.1839 -40.1839 -12.5072 -12.5072 -12.2465 -12.2465 -12.1230 -12.1230 -8.3354 -8.3354 -8.1844 -8.1844 -6.4900 -6.4900 -6.1483 -6.1483 -5.6127 -5.6127 -5.4117 -5.4117 -5.2088 -5.2088 3.8690 3.8690 4.4001 4.4001 5.0895 5.0895 6.0734 6.0734 6.6314 6.6314 6.8352 6.8352 10.5597 10.5597 11.5712 11.5712 16.2290 16.2290 17.1238 17.1238 k = 0.4912-0.7708-0.4702 ( 3082 PWs) bands (ev): -40.1839 -40.1839 -12.5079 -12.5079 -12.2463 -12.2463 -12.1230 -12.1230 -8.3349 -8.3349 -8.1837 -8.1837 -6.4901 -6.4901 -6.1479 -6.1479 -5.6125 -5.6125 -5.4114 -5.4114 -5.2080 -5.2080 3.8844 3.8844 4.3904 4.3904 5.0860 5.0860 6.0666 6.0666 6.6304 6.6304 6.8342 6.8342 10.5720 10.5720 11.5505 11.5505 16.2388 16.2388 17.1213 17.1213 k = 0.5000-0.7845-0.4786 ( 3080 PWs) bands (ev): -40.1838 -40.1838 -12.5081 -12.5081 -12.2462 -12.2462 -12.1230 -12.1230 -8.3347 -8.3347 -8.1834 -8.1834 -6.4901 -6.4901 -6.1477 -6.1477 -5.6124 -5.6124 -5.4112 -5.4112 -5.2077 -5.2077 3.8897 3.8897 4.3870 4.3870 5.0848 5.0848 6.0643 6.0643 6.6300 6.6300 6.8339 6.8339 10.5762 10.5762 11.5435 11.5435 16.2421 16.2421 17.1205 17.1205 k = 0.5000-0.7845-0.4786 ( 3080 PWs) bands (ev): -40.1838 -40.1838 -12.5081 -12.5081 -12.2462 -12.2462 -12.1230 -12.1230 -8.3347 -8.3347 -8.1834 -8.1834 -6.4901 -6.4901 -6.1477 -6.1477 -5.6124 -5.6124 -5.4112 -5.4112 -5.2077 -5.2077 3.8897 3.8897 4.3870 4.3870 5.0848 5.0848 6.0643 6.0643 6.6300 6.6300 6.8339 6.8339 10.5762 10.5762 11.5435 11.5435 16.2421 16.2421 17.1205 17.1205 k = 0.5000-0.7752-0.4940 ( 3078 PWs) bands (ev): -40.1838 -40.1838 -12.5079 -12.5079 -12.2462 -12.2462 -12.1232 -12.1232 -8.3346 -8.3346 -8.1834 -8.1834 -6.4898 -6.4898 -6.1478 -6.1478 -5.6122 -5.6122 -5.4113 -5.4113 -5.2078 -5.2078 3.8902 3.8902 4.3880 4.3880 5.0850 5.0850 6.0639 6.0639 6.6290 6.6290 6.8328 6.8328 10.5767 10.5767 11.5442 11.5442 16.2421 16.2421 17.0833 17.0833 k = 0.5000-0.7658-0.5093 ( 3076 PWs) bands (ev): -40.1838 -40.1838 -12.5075 -12.5075 -12.2462 -12.2462 -12.1238 -12.1238 -8.3342 -8.3342 -8.1835 -8.1835 -6.4890 -6.4890 -6.1481 -6.1481 -5.6117 -5.6117 -5.4114 -5.4114 -5.2083 -5.2083 3.8916 3.8916 4.3910 4.3910 5.0854 5.0854 6.0624 6.0624 6.6261 6.6261 6.8294 6.8294 10.5783 10.5783 11.5463 11.5463 16.2419 16.2419 16.9910 16.9910 k = 0.5000-0.7565-0.5247 ( 3084 PWs) bands (ev): -40.1838 -40.1838 -12.5068 -12.5068 -12.2463 -12.2463 -12.1249 -12.1249 -8.3336 -8.3336 -8.1835 -8.1835 -6.4875 -6.4875 -6.1485 -6.1485 -5.6108 -5.6108 -5.4116 -5.4116 -5.2091 -5.2091 3.8939 3.8939 4.3959 4.3959 5.0862 5.0862 6.0599 6.0599 6.6212 6.6212 6.8236 6.8236 10.5809 10.5809 11.5497 11.5497 16.2400 16.2400 16.8725 16.8725 k = 0.5000-0.7471-0.5400 ( 3090 PWs) bands (ev): -40.1838 -40.1838 -12.5058 -12.5058 -12.2464 -12.2464 -12.1263 -12.1263 -8.3327 -8.3327 -8.1836 -8.1836 -6.4856 -6.4856 -6.1492 -6.1492 -5.6097 -5.6097 -5.4119 -5.4119 -5.2101 -5.2101 3.8971 3.8971 4.4028 4.4028 5.0873 5.0873 6.0563 6.0563 6.6145 6.6145 6.8157 6.8157 10.5845 10.5845 11.5545 11.5545 16.2333 16.2333 16.7457 16.7457 k = 0.5000-0.7377-0.5553 ( 3088 PWs) bands (ev): -40.1838 -40.1838 -12.5045 -12.5045 -12.2464 -12.2464 -12.1281 -12.1281 -8.3316 -8.3316 -8.1837 -8.1837 -6.4830 -6.4830 -6.1500 -6.1500 -5.6081 -5.6081 -5.4123 -5.4123 -5.2115 -5.2115 3.9012 3.9012 4.4116 4.4116 5.0886 5.0886 6.0514 6.0514 6.6064 6.6064 6.8057 6.8057 10.5890 10.5890 11.5608 11.5608 16.2144 16.2144 16.6244 16.6244 k = 0.5000-0.7284-0.5707 ( 3088 PWs) bands (ev): -40.1837 -40.1837 -12.5030 -12.5030 -12.2466 -12.2466 -12.1303 -12.1303 -8.3302 -8.3302 -8.1838 -8.1838 -6.4799 -6.4799 -6.1510 -6.1510 -5.6063 -5.6063 -5.4127 -5.4127 -5.2132 -5.2132 3.9062 3.9062 4.4223 4.4223 5.0900 5.0900 6.0451 6.0451 6.5971 6.5971 6.7939 6.7939 10.5944 10.5944 11.5683 11.5683 16.1688 16.1688 16.5266 16.5266 k = 0.5000-0.7190-0.5860 ( 3090 PWs) bands (ev): -40.1837 -40.1837 -12.5012 -12.5012 -12.2467 -12.2467 -12.1328 -12.1328 -8.3286 -8.3286 -8.1840 -8.1840 -6.4763 -6.4763 -6.1522 -6.1522 -5.6041 -5.6041 -5.4131 -5.4131 -5.2151 -5.2151 3.9121 3.9121 4.4350 4.4350 5.0915 5.0915 6.0371 6.0371 6.5869 6.5869 6.7803 6.7803 10.6008 10.6008 11.5772 11.5772 16.0815 16.0815 16.4688 16.4688 k = 0.5000-0.7097-0.6014 ( 3086 PWs) bands (ev): -40.1837 -40.1837 -12.4991 -12.4991 -12.2469 -12.2469 -12.1356 -12.1356 -8.3268 -8.3268 -8.1842 -8.1842 -6.4722 -6.4722 -6.1536 -6.1536 -5.6017 -5.6017 -5.4135 -5.4135 -5.2174 -5.2174 3.9188 3.9188 4.4494 4.4494 5.0930 5.0930 6.0273 6.0273 6.5761 6.5761 6.7652 6.7652 10.6079 10.6079 11.5875 11.5875 15.9577 15.9577 16.4468 16.4468 k = 0.5000-0.7003-0.6167 ( 3092 PWs) bands (ev): -40.1836 -40.1836 -12.4968 -12.4968 -12.2471 -12.2471 -12.1387 -12.1387 -8.3247 -8.3247 -8.1845 -8.1845 -6.4676 -6.4676 -6.1552 -6.1552 -5.5990 -5.5990 -5.4140 -5.4140 -5.2199 -5.2199 3.9263 3.9263 4.4657 4.4657 5.0944 5.0944 6.0153 6.0153 6.5652 6.5652 6.7487 6.7487 10.6157 10.6157 11.5991 11.5991 15.8132 15.8132 16.4455 16.4455 k = 0.5000-0.6909-0.6320 ( 3094 PWs) bands (ev): -40.1836 -40.1836 -12.4943 -12.4943 -12.2475 -12.2475 -12.1421 -12.1421 -8.3224 -8.3224 -8.1848 -8.1848 -6.4626 -6.4626 -6.1570 -6.1570 -5.5961 -5.5961 -5.4144 -5.4144 -5.2227 -5.2227 3.9347 3.9347 4.4838 4.4838 5.0956 5.0956 6.0009 6.0009 6.5546 6.5546 6.7311 6.7311 10.6242 10.6242 11.6121 11.6121 15.6584 15.6584 16.4549 16.4549 k = 0.5000-0.6816-0.6474 ( 3088 PWs) bands (ev): -40.1835 -40.1835 -12.4915 -12.4915 -12.2478 -12.2478 -12.1456 -12.1456 -8.3199 -8.3199 -8.1852 -8.1852 -6.4571 -6.4571 -6.1589 -6.1589 -5.5929 -5.5929 -5.4147 -5.4147 -5.2257 -5.2257 3.9437 3.9437 4.5037 4.5037 5.0964 5.0964 5.9839 5.9839 6.5447 6.5447 6.7127 6.7127 10.6333 10.6333 11.6264 11.6264 15.4985 15.4985 16.4705 16.4705 k = 0.5000-0.6722-0.6627 ( 3088 PWs) bands (ev): -40.1834 -40.1834 -12.4885 -12.4885 -12.2483 -12.2483 -12.1494 -12.1494 -8.3172 -8.3172 -8.1857 -8.1857 -6.4512 -6.4512 -6.1610 -6.1610 -5.5896 -5.5896 -5.4150 -5.4150 -5.2290 -5.2290 3.9535 3.9535 4.5252 4.5252 5.0968 5.0968 5.9642 5.9642 6.5358 6.5358 6.6938 6.6938 10.6430 10.6430 11.6421 11.6421 15.3359 15.3359 16.4897 16.4897 k = 0.5000-0.6629-0.6781 ( 3088 PWs) bands (ev): -40.1834 -40.1834 -12.4854 -12.4854 -12.2489 -12.2489 -12.1533 -12.1533 -8.3143 -8.3143 -8.1863 -8.1863 -6.4450 -6.4450 -6.1633 -6.1633 -5.5861 -5.5861 -5.4151 -5.4151 -5.2326 -5.2326 3.9639 3.9639 4.5483 4.5483 5.0967 5.0967 5.9416 5.9416 6.5283 6.5283 6.6745 6.6745 10.6530 10.6530 11.6591 11.6591 15.1722 15.1722 16.5115 16.5115 k = 0.5000-0.6535-0.6934 ( 3094 PWs) bands (ev): -40.1833 -40.1833 -12.4821 -12.4821 -12.2496 -12.2496 -12.1573 -12.1573 -8.3112 -8.3112 -8.1871 -8.1871 -6.4385 -6.4385 -6.1658 -6.1658 -5.5825 -5.5825 -5.4150 -5.4150 -5.2363 -5.2363 3.9748 3.9748 4.5729 4.5729 5.0958 5.0958 5.9162 5.9162 6.5223 6.5223 6.6552 6.6552 10.6633 10.6633 11.6774 11.6774 15.0083 15.0083 16.5351 16.5351 k = 0.5000-0.6442-0.7087 ( 3096 PWs) bands (ev): -40.1832 -40.1832 -12.4786 -12.4786 -12.2505 -12.2505 -12.1613 -12.1613 -8.3079 -8.3079 -8.1879 -8.1879 -6.4316 -6.4316 -6.1684 -6.1684 -5.5789 -5.5789 -5.4147 -5.4147 -5.2403 -5.2403 3.9862 3.9862 4.5990 4.5990 5.0943 5.0943 5.8881 5.8881 6.5181 6.5181 6.6361 6.6361 10.6739 10.6739 11.6971 11.6971 14.8449 14.8449 16.5597 16.5597 k = 0.5000-0.6348-0.7241 ( 3098 PWs) bands (ev): -40.1832 -40.1832 -12.4750 -12.4750 -12.2516 -12.2516 -12.1653 -12.1653 -8.3045 -8.3045 -8.1888 -8.1888 -6.4246 -6.4246 -6.1712 -6.1712 -5.5752 -5.5752 -5.4142 -5.4142 -5.2445 -5.2445 3.9980 3.9980 4.6264 4.6264 5.0919 5.0919 5.8574 5.8574 6.5156 6.5156 6.6176 6.6176 10.6847 10.6847 11.7182 11.7182 14.6827 14.6827 16.5851 16.5851 k = 0.5000-0.6254-0.7394 ( 3100 PWs) bands (ev): -40.1831 -40.1831 -12.4713 -12.4713 -12.2528 -12.2528 -12.1693 -12.1693 -8.3009 -8.3009 -8.1900 -8.1900 -6.4174 -6.4174 -6.1741 -6.1741 -5.5715 -5.5715 -5.4133 -5.4133 -5.2489 -5.2489 4.0101 4.0101 4.6551 4.6551 5.0886 5.0886 5.8243 5.8243 6.5149 6.5149 6.5998 6.5998 10.6955 10.6955 11.7407 11.7407 14.5221 14.5221 16.6107 16.6107 k = 0.5000-0.6161-0.7548 ( 3098 PWs) bands (ev): -40.1830 -40.1830 -12.4675 -12.4675 -12.2543 -12.2543 -12.1730 -12.1730 -8.2972 -8.2972 -8.1912 -8.1912 -6.4100 -6.4100 -6.1771 -6.1771 -5.5680 -5.5680 -5.4121 -5.4121 -5.2534 -5.2534 4.0223 4.0223 4.6847 4.6847 5.0846 5.0846 5.7893 5.7893 6.5159 6.5159 6.5830 6.5830 10.7062 10.7062 11.7647 11.7647 14.3636 14.3636 16.6364 16.6364 k = 0.5000-0.6067-0.7701 ( 3096 PWs) bands (ev): -40.1829 -40.1829 -12.4637 -12.4637 -12.2560 -12.2560 -12.1766 -12.1766 -8.2933 -8.2933 -8.1926 -8.1926 -6.4026 -6.4026 -6.1802 -6.1802 -5.5645 -5.5645 -5.4105 -5.4105 -5.2581 -5.2581 4.0345 4.0345 4.7151 4.7151 5.0799 5.0799 5.7527 5.7527 6.5184 6.5184 6.5674 6.5674 10.7167 10.7167 11.7902 11.7902 14.2076 14.2076 16.6618 16.6618 k = 0.5000-0.5974-0.7854 ( 3096 PWs) bands (ev): -40.1829 -40.1829 -12.4598 -12.4598 -12.2579 -12.2579 -12.1799 -12.1799 -8.2893 -8.2893 -8.1942 -8.1942 -6.3951 -6.3951 -6.1835 -6.1835 -5.5613 -5.5613 -5.4086 -5.4086 -5.2630 -5.2630 4.0465 4.0465 4.7459 4.7459 5.0747 5.0747 5.7150 5.7150 6.5224 6.5224 6.5533 6.5533 10.7269 10.7269 11.8171 11.8171 14.0546 14.0546 16.6867 16.6867 k = 0.5000-0.5880-0.8008 ( 3096 PWs) bands (ev): -40.1828 -40.1828 -12.4560 -12.4560 -12.2600 -12.2600 -12.1830 -12.1830 -8.2853 -8.2853 -8.1960 -8.1960 -6.3877 -6.3877 -6.1867 -6.1867 -5.5582 -5.5582 -5.4062 -5.4062 -5.2680 -5.2680 4.0580 4.0580 4.7766 4.7766 5.0695 5.0695 5.6766 5.6766 6.5269 6.5269 6.5414 6.5414 10.7366 10.7366 11.8456 11.8456 13.9050 13.9050 16.7107 16.7107 k = 0.5000-0.5786-0.8161 ( 3098 PWs) bands (ev): -40.1827 -40.1827 -12.4522 -12.4522 -12.2623 -12.2623 -12.1858 -12.1858 -8.2811 -8.2811 -8.1979 -8.1979 -6.3804 -6.3804 -6.1900 -6.1900 -5.5555 -5.5555 -5.4033 -5.4033 -5.2731 -5.2731 4.0688 4.0688 4.8063 4.8063 5.0651 5.0651 5.6380 5.6380 6.5254 6.5254 6.5382 6.5382 10.7457 10.7457 11.8757 11.8757 13.7592 13.7592 16.7337 16.7337 k = 0.5000-0.5693-0.8315 ( 3094 PWs) bands (ev): -40.1827 -40.1827 -12.4485 -12.4485 -12.2648 -12.2648 -12.1882 -12.1882 -8.2769 -8.2769 -8.2000 -8.2000 -6.3733 -6.3733 -6.1933 -6.1933 -5.5529 -5.5529 -5.4000 -5.4000 -5.2782 -5.2782 4.0787 4.0787 4.8339 4.8339 5.0627 5.0627 5.5997 5.5997 6.5168 6.5168 6.5449 6.5449 10.7539 10.7539 11.9074 11.9074 13.6177 13.6177 16.7554 16.7554 k = 0.5000-0.5599-0.8468 ( 3096 PWs) bands (ev): -40.1826 -40.1826 -12.4449 -12.4449 -12.2674 -12.2674 -12.1903 -12.1903 -8.2726 -8.2726 -8.2024 -8.2024 -6.3665 -6.3665 -6.1965 -6.1965 -5.5507 -5.5507 -5.3963 -5.3963 -5.2835 -5.2835 4.0873 4.0873 4.8574 4.8574 5.0642 5.0642 5.5623 5.5623 6.5086 6.5086 6.5538 6.5538 10.7610 10.7610 11.9408 11.9408 13.4810 13.4810 16.7757 16.7757 k = 0.5000-0.5506-0.8621 ( 3102 PWs) bands (ev): -40.1825 -40.1825 -12.4416 -12.4416 -12.2700 -12.2700 -12.1921 -12.1921 -8.2682 -8.2682 -8.2049 -8.2049 -6.3600 -6.3600 -6.1996 -6.1996 -5.5488 -5.5488 -5.3922 -5.3922 -5.2888 -5.2888 4.0941 4.0941 4.8745 4.8745 5.0720 5.0720 5.5264 5.5264 6.5016 6.5016 6.5637 6.5637 10.7668 10.7668 11.9758 11.9758 13.3495 13.3495 16.7943 16.7943 k = 0.5000-0.5412-0.8775 ( 3102 PWs) bands (ev): -40.1825 -40.1825 -12.4385 -12.4385 -12.2726 -12.2726 -12.1937 -12.1937 -8.2639 -8.2639 -8.2076 -8.2076 -6.3540 -6.3540 -6.2026 -6.2026 -5.5471 -5.5471 -5.3878 -5.3878 -5.2941 -5.2941 4.0989 4.0989 4.8836 4.8836 5.0879 5.0879 5.4925 5.4925 6.4959 6.4959 6.5746 6.5746 10.7710 10.7710 12.0125 12.0125 13.2241 13.2241 16.8111 16.8111 k = 0.5000-0.5318-0.8928 ( 3104 PWs) bands (ev): -40.1824 -40.1824 -12.4357 -12.4357 -12.2750 -12.2750 -12.1949 -12.1949 -8.2595 -8.2595 -8.2106 -8.2106 -6.3485 -6.3485 -6.2053 -6.2053 -5.5458 -5.5458 -5.3831 -5.3831 -5.2993 -5.2993 4.1012 4.1012 4.8847 4.8847 5.1117 5.1117 5.4613 5.4613 6.4915 6.4915 6.5863 6.5863 10.7732 10.7732 12.0509 12.0509 13.1051 13.1051 16.8259 16.8259 k = 0.5000-0.5225-0.9082 ( 3108 PWs) bands (ev): -40.1824 -40.1824 -12.4333 -12.4333 -12.2772 -12.2772 -12.1959 -12.1959 -8.2551 -8.2551 -8.2137 -8.2137 -6.3437 -6.3437 -6.2077 -6.2077 -5.5447 -5.5447 -5.3783 -5.3783 -5.3045 -5.3045 4.1005 4.1005 4.8796 4.8796 5.1418 5.1418 5.4334 5.4334 6.4881 6.4881 6.5987 6.5987 10.7730 10.7730 12.0908 12.0908 12.9935 12.9935 16.8386 16.8386 k = 0.5000-0.5131-0.9235 ( 3114 PWs) bands (ev): -40.1824 -40.1824 -12.4313 -12.4313 -12.2792 -12.2792 -12.1967 -12.1967 -8.2508 -8.2508 -8.2171 -8.2171 -6.3396 -6.3396 -6.2097 -6.2097 -5.5439 -5.5439 -5.3734 -5.3734 -5.3094 -5.3094 4.0965 4.0965 4.8702 4.8702 5.1765 5.1765 5.4094 5.4094 6.4856 6.4856 6.6116 6.6116 10.7700 10.7700 12.1321 12.1321 12.8902 12.8902 16.8491 16.8491 k = 0.5000-0.5038-0.9388 ( 3112 PWs) bands (ev): -40.1823 -40.1823 -12.4296 -12.4296 -12.2807 -12.2807 -12.1973 -12.1973 -8.2464 -8.2464 -8.2207 -8.2207 -6.3364 -6.3364 -6.2113 -6.2113 -5.5432 -5.5432 -5.3686 -5.3686 -5.3141 -5.3141 4.0888 4.0888 4.8581 4.8581 5.2140 5.2140 5.3900 5.3900 6.4839 6.4839 6.6251 6.6251 10.7638 10.7638 12.1744 12.1744 12.7961 12.7961 16.8572 16.8572 k = 0.5000-0.4944-0.9542 ( 3108 PWs) bands (ev): -40.1823 -40.1823 -12.4284 -12.4284 -12.2818 -12.2818 -12.1976 -12.1976 -8.2422 -8.2422 -8.2245 -8.2245 -6.3340 -6.3340 -6.2124 -6.2124 -5.5428 -5.5428 -5.3642 -5.3642 -5.3183 -5.3183 4.0770 4.0770 4.8444 4.8444 5.2530 5.2530 5.3760 5.3760 6.4829 6.4829 6.6390 6.6390 10.7540 10.7540 12.2169 12.2169 12.7129 12.7129 16.8628 16.8628 k = 0.5000-0.4850-0.9695 ( 3106 PWs) bands (ev): -40.1823 -40.1823 -12.4276 -12.4276 -12.2825 -12.2825 -12.1978 -12.1978 -8.2380 -8.2380 -8.2285 -8.2285 -6.3325 -6.3325 -6.2130 -6.2130 -5.5426 -5.5426 -5.3607 -5.3607 -5.3215 -5.3215 4.0609 4.0609 4.8300 4.8300 5.2915 5.2915 5.3692 5.3692 6.4822 6.4822 6.6532 6.6532 10.7400 10.7400 12.2580 12.2580 12.6429 12.6429 16.8658 16.8658 k = 0.5000-0.4757-0.9849 ( 3108 PWs) bands (ev): -40.1823 -40.1823 -12.4273 -12.4273 -12.2828 -12.2828 -12.1979 -12.1979 -8.2340 -8.2340 -8.2325 -8.2325 -6.3320 -6.3320 -6.2131 -6.2131 -5.5425 -5.5425 -5.3585 -5.3585 -5.3234 -5.3234 4.0405 4.0405 4.8153 4.8153 5.3234 5.3234 5.3752 5.3752 6.4817 6.4817 6.6677 6.6677 10.7216 10.7216 12.2942 12.2942 12.5901 12.5901 16.8661 16.8661 k = 0.5000-0.4663-1.0002 ( 3108 PWs) bands (ev): -40.1823 -40.1823 -12.4274 -12.4274 -12.2826 -12.2826 -12.1979 -12.1979 -8.2372 -8.2372 -8.2298 -8.2298 -6.3323 -6.3323 -6.2128 -6.2128 -5.5427 -5.5427 -5.3582 -5.3582 -5.3234 -5.3234 4.0158 4.0158 4.8008 4.8008 5.3403 5.3403 5.4022 5.4022 6.4812 6.4812 6.6825 6.6825 10.6985 10.6985 12.3189 12.3189 12.5618 12.5618 16.8635 16.8635 k = 0.5000-0.4570-1.0156 ( 3110 PWs) bands (ev): -40.1823 -40.1823 -12.4279 -12.4279 -12.2820 -12.2820 -12.1977 -12.1977 -8.2418 -8.2418 -8.2259 -8.2259 -6.3335 -6.3335 -6.2120 -6.2120 -5.5429 -5.5429 -5.3598 -5.3598 -5.3216 -5.3216 3.9869 3.9869 4.7870 4.7870 5.3505 5.3505 5.4417 5.4417 6.4806 6.4806 6.6974 6.6974 10.6706 10.6706 12.3258 12.3258 12.5644 12.5644 16.8580 16.8580 k = 0.5000-0.4476-1.0309 ( 3108 PWs) bands (ev): -40.1823 -40.1823 -12.4287 -12.4287 -12.2811 -12.2811 -12.1973 -12.1973 -8.2467 -8.2467 -8.2221 -8.2221 -6.3354 -6.3354 -6.2110 -6.2110 -5.5433 -5.5433 -5.3628 -5.3628 -5.3185 -5.3185 3.9542 3.9542 4.7740 4.7740 5.3622 5.3622 5.4850 5.4850 6.4796 6.4796 6.7125 6.7125 10.6381 10.6381 12.3186 12.3186 12.5945 12.5945 16.8495 16.8495 k = 0.5000-0.4383-1.0462 ( 3104 PWs) bands (ev): -40.1824 -40.1824 -12.4297 -12.4297 -12.2798 -12.2798 -12.1968 -12.1968 -8.2517 -8.2517 -8.2184 -8.2184 -6.3380 -6.3380 -6.2098 -6.2098 -5.5439 -5.5439 -5.3667 -5.3667 -5.3147 -5.3147 3.9178 3.9178 4.7621 4.7621 5.3774 5.3774 5.5296 5.5296 6.4782 6.4782 6.7275 6.7275 10.6011 10.6011 12.3074 12.3074 12.6420 12.6420 16.8379 16.8379 k = 0.8139-0.3467-0.8683 ( 3104 PWs) bands (ev): -40.1824 -40.1824 -12.4297 -12.4297 -12.2798 -12.2798 -12.1968 -12.1968 -8.2517 -8.2517 -8.2184 -8.2184 -6.3380 -6.3380 -6.2098 -6.2098 -5.5439 -5.5439 -5.3667 -5.3667 -5.3147 -5.3147 3.9178 3.9178 4.7621 4.7621 5.3774 5.3774 5.5296 5.5296 6.4782 6.4782 6.7275 6.7275 10.6011 10.6011 12.3074 12.3074 12.6420 12.6420 16.8379 16.8379 k = 0.8088-0.3388-0.8529 ( 3106 PWs) bands (ev): -40.1824 -40.1824 -12.4310 -12.4310 -12.2783 -12.2783 -12.1962 -12.1962 -8.2570 -8.2570 -8.2149 -8.2149 -6.3412 -6.3412 -6.2085 -6.2085 -5.5446 -5.5446 -5.3711 -5.3711 -5.3106 -5.3106 3.8780 3.8780 4.7516 4.7516 5.3966 5.3966 5.5752 5.5752 6.4761 6.4761 6.7427 6.7427 10.5598 10.5598 12.2991 12.2991 12.7000 12.7000 16.8230 16.8230 k = 0.8038-0.3308-0.8375 ( 3106 PWs) bands (ev): -40.1825 -40.1825 -12.4324 -12.4324 -12.2766 -12.2766 -12.1955 -12.1955 -8.2626 -8.2626 -8.2116 -8.2116 -6.3449 -6.3449 -6.2071 -6.2071 -5.5454 -5.5454 -5.3758 -5.3758 -5.3065 -5.3065 3.8354 3.8354 4.7426 4.7426 5.4194 5.4194 5.6211 5.6211 6.4733 6.4733 6.7579 6.7579 10.5152 10.5152 12.2970 12.2970 12.7647 12.7647 16.8047 16.8047 k = 0.7987-0.3229-0.8220 ( 3106 PWs) bands (ev): -40.1825 -40.1825 -12.4338 -12.4338 -12.2748 -12.2748 -12.1946 -12.1946 -8.2683 -8.2683 -8.2085 -8.2085 -6.3489 -6.3489 -6.2058 -6.2058 -5.5465 -5.5465 -5.3806 -5.3806 -5.3025 -5.3025 3.7903 3.7903 4.7355 4.7355 5.4456 5.4456 5.6670 5.6670 6.4696 6.4696 6.7729 6.7729 10.4679 10.4679 12.3022 12.3022 12.8344 12.8344 16.7830 16.7830 k = 0.7936-0.3150-0.8066 ( 3102 PWs) bands (ev): -40.1826 -40.1826 -12.4353 -12.4353 -12.2730 -12.2730 -12.1935 -12.1935 -8.2742 -8.2742 -8.2056 -8.2056 -6.3532 -6.3532 -6.2047 -6.2047 -5.5476 -5.5476 -5.3854 -5.3854 -5.2987 -5.2987 3.7433 3.7433 4.7302 4.7302 5.4749 5.4749 5.7129 5.7129 6.4650 6.4650 6.7878 6.7878 10.4186 10.4186 12.3150 12.3150 12.9083 12.9083 16.7577 16.7577 k = 0.7886-0.3070-0.7911 ( 3104 PWs) bands (ev): -40.1827 -40.1827 -12.4367 -12.4367 -12.2712 -12.2712 -12.1923 -12.1923 -8.2804 -8.2804 -8.2029 -8.2029 -6.3578 -6.3578 -6.2037 -6.2037 -5.5490 -5.5490 -5.3903 -5.3903 -5.2953 -5.2953 3.6946 3.6946 4.7271 4.7271 5.5068 5.5068 5.7584 5.7584 6.4593 6.4593 6.8025 6.8025 10.3680 10.3680 12.3352 12.3352 12.9860 12.9860 16.7289 16.7289 k = 0.7835-0.2991-0.7757 ( 3102 PWs) bands (ev): -40.1828 -40.1828 -12.4379 -12.4379 -12.2696 -12.2696 -12.1908 -12.1908 -8.2867 -8.2867 -8.2004 -8.2004 -6.3625 -6.3625 -6.2030 -6.2030 -5.5505 -5.5505 -5.3951 -5.3951 -5.2923 -5.2923 3.6446 3.6446 4.7262 4.7262 5.5412 5.5412 5.8037 5.8037 6.4525 6.4525 6.8169 6.8169 10.3169 10.3169 12.3626 12.3626 13.0674 13.0674 16.6964 16.6964 k = 0.7785-0.2911-0.7603 ( 3098 PWs) bands (ev): -40.1829 -40.1829 -12.4390 -12.4390 -12.2680 -12.2680 -12.1892 -12.1892 -8.2933 -8.2933 -8.1981 -8.1981 -6.3674 -6.3674 -6.2025 -6.2025 -5.5522 -5.5522 -5.3999 -5.3999 -5.2897 -5.2897 3.5937 3.5937 4.7276 4.7276 5.5775 5.5775 5.8485 5.8485 6.4446 6.4446 6.8312 6.8312 10.2658 10.2658 12.3966 12.3966 13.1522 13.1522 16.6601 16.6601 k = 0.7734-0.2832-0.7448 ( 3094 PWs) bands (ev): -40.1831 -40.1831 -12.4400 -12.4400 -12.2667 -12.2667 -12.1873 -12.1873 -8.3001 -8.3001 -8.1961 -8.1961 -6.3724 -6.3724 -6.2022 -6.2022 -5.5541 -5.5541 -5.4046 -5.4046 -5.2876 -5.2876 3.5420 3.5420 4.7314 4.7314 5.6156 5.6156 5.8927 5.8927 6.4354 6.4354 6.8452 6.8452 10.2153 10.2153 12.4371 12.4371 13.2403 13.2403 16.6202 16.6202 k = 0.7683-0.2752-0.7294 ( 3096 PWs) bands (ev): -40.1832 -40.1832 -12.4407 -12.4407 -12.2656 -12.2656 -12.1853 -12.1853 -8.3070 -8.3070 -8.1944 -8.1944 -6.3774 -6.3774 -6.2023 -6.2023 -5.5562 -5.5562 -5.4093 -5.4093 -5.2860 -5.2860 3.4900 3.4900 4.7378 4.7378 5.6551 5.6551 5.9363 5.9363 6.4251 6.4251 6.8588 6.8588 10.1659 10.1659 12.4837 12.4837 13.3317 13.3317 16.5764 16.5764 k = 0.7633-0.2673-0.7139 ( 3096 PWs) bands (ev): -40.1834 -40.1834 -12.4412 -12.4412 -12.2647 -12.2647 -12.1831 -12.1831 -8.3142 -8.3142 -8.1930 -8.1930 -6.3825 -6.3825 -6.2027 -6.2027 -5.5586 -5.5586 -5.4138 -5.4138 -5.2849 -5.2849 3.4377 3.4377 4.7467 4.7467 5.6957 5.6957 5.9790 5.9790 6.4136 6.4136 6.8722 6.8722 10.1180 10.1180 12.5361 12.5361 13.4262 13.4262 16.5289 16.5289 k = 0.7582-0.2594-0.6985 ( 3092 PWs) bands (ev): -40.1836 -40.1836 -12.4414 -12.4414 -12.2640 -12.2640 -12.1807 -12.1807 -8.3216 -8.3216 -8.1918 -8.1918 -6.3875 -6.3875 -6.2034 -6.2034 -5.5611 -5.5611 -5.4182 -5.4182 -5.2843 -5.2843 3.3855 3.3855 4.7582 4.7582 5.7373 5.7373 6.0209 6.0209 6.4011 6.4011 6.8853 6.8853 10.0718 10.0718 12.5940 12.5940 13.5239 13.5239 16.4777 16.4777 k = 0.7531-0.2514-0.6831 ( 3090 PWs) bands (ev): -40.1837 -40.1837 -12.4413 -12.4413 -12.2636 -12.2636 -12.1782 -12.1782 -8.3293 -8.3293 -8.1909 -8.1909 -6.3925 -6.3925 -6.2044 -6.2044 -5.5638 -5.5638 -5.4226 -5.4226 -5.2842 -5.2842 3.3336 3.3336 4.7724 4.7724 5.7796 5.7796 6.0617 6.0617 6.3875 6.3875 6.8981 6.8981 10.0277 10.0277 12.6574 12.6574 13.6246 13.6246 16.4228 16.4228 k = 0.7481-0.2435-0.6676 ( 3088 PWs) bands (ev): -40.1839 -40.1839 -12.4409 -12.4409 -12.2635 -12.2635 -12.1755 -12.1755 -8.3371 -8.3371 -8.1903 -8.1903 -6.3975 -6.3975 -6.2057 -6.2057 -5.5668 -5.5668 -5.4268 -5.4268 -5.2847 -5.2847 3.2820 3.2820 4.7893 4.7893 5.8223 5.8223 6.1011 6.1011 6.3733 6.3733 6.9106 6.9106 9.9858 9.9858 12.7259 12.7259 13.7283 13.7283 16.3645 16.3645 k = 0.7430-0.2355-0.6522 ( 3086 PWs) bands (ev): -40.1842 -40.1842 -12.4402 -12.4402 -12.2635 -12.2635 -12.1727 -12.1727 -8.3451 -8.3451 -8.1899 -8.1899 -6.4025 -6.4025 -6.2074 -6.2074 -5.5700 -5.5700 -5.4310 -5.4310 -5.2858 -5.2858 3.2309 3.2309 4.8090 4.8090 5.8652 5.8652 6.1388 6.1388 6.3586 6.3586 6.9229 6.9229 9.9464 9.9464 12.7995 12.7995 13.8348 13.8348 16.3028 16.3028 k = 0.7379-0.2276-0.6367 ( 3094 PWs) bands (ev): -40.1844 -40.1844 -12.4394 -12.4394 -12.2638 -12.2638 -12.1699 -12.1699 -8.3534 -8.3534 -8.1899 -8.1899 -6.4073 -6.4073 -6.2093 -6.2093 -5.5734 -5.5734 -5.4350 -5.4350 -5.2873 -5.2873 3.1805 3.1805 4.8312 4.8312 5.9081 5.9081 6.1739 6.1739 6.3444 6.3444 6.9349 6.9349 9.9094 9.9094 12.8780 12.8780 13.9440 13.9440 16.2380 16.2380 k = 0.7329-0.2196-0.6213 ( 3094 PWs) bands (ev): -40.1846 -40.1846 -12.4381 -12.4381 -12.2643 -12.2643 -12.1669 -12.1669 -8.3619 -8.3619 -8.1902 -8.1902 -6.4121 -6.4121 -6.2116 -6.2116 -5.5770 -5.5770 -5.4389 -5.4389 -5.2894 -5.2894 3.1309 3.1309 4.8562 4.8562 5.9509 5.9509 6.2046 6.2046 6.3326 6.3326 6.9468 6.9468 9.8750 9.8750 12.9614 12.9614 14.0556 14.0556 16.1703 16.1703 k = 0.7278-0.2117-0.6059 ( 3090 PWs) bands (ev): -40.1849 -40.1849 -12.4365 -12.4365 -12.2649 -12.2649 -12.1639 -12.1639 -8.3706 -8.3706 -8.1907 -8.1907 -6.4168 -6.4168 -6.2141 -6.2141 -5.5808 -5.5808 -5.4426 -5.4426 -5.2920 -5.2920 3.0823 3.0823 4.8839 4.8839 5.9933 5.9933 6.2263 6.2263 6.3279 6.3279 6.9584 6.9584 9.8431 9.8431 13.0496 13.0496 14.1696 14.1696 16.1001 16.1001 k = 0.7228-0.2037-0.5904 ( 3088 PWs) bands (ev): -40.1851 -40.1851 -12.4347 -12.4347 -12.2656 -12.2656 -12.1608 -12.1608 -8.3795 -8.3795 -8.1916 -8.1916 -6.4214 -6.4214 -6.2169 -6.2169 -5.5848 -5.5848 -5.4463 -5.4463 -5.2951 -5.2951 3.0347 3.0347 4.9141 4.9141 6.0350 6.0350 6.2328 6.2328 6.3366 6.3366 6.9701 6.9701 9.8139 9.8139 13.1425 13.1425 14.2854 14.2854 16.0279 16.0279 k = 0.7177-0.1958-0.5750 ( 3092 PWs) bands (ev): -40.1854 -40.1854 -12.4327 -12.4327 -12.2664 -12.2664 -12.1578 -12.1578 -8.3887 -8.3887 -8.1927 -8.1927 -6.4259 -6.4259 -6.2200 -6.2200 -5.5890 -5.5890 -5.4498 -5.4498 -5.2987 -5.2987 2.9881 2.9881 4.9468 4.9468 6.0756 6.0756 6.2253 6.2253 6.3577 6.3577 6.9816 6.9816 9.7872 9.7872 13.2400 13.2400 14.4025 14.4025 15.9544 15.9544 k = 0.7126-0.1879-0.5595 ( 3088 PWs) bands (ev): -40.1857 -40.1857 -12.4304 -12.4304 -12.2673 -12.2673 -12.1547 -12.1547 -8.3980 -8.3980 -8.1942 -8.1942 -6.4303 -6.4303 -6.2234 -6.2234 -5.5933 -5.5933 -5.4532 -5.4532 -5.3027 -5.3027 2.9428 2.9428 4.9819 4.9819 6.1143 6.1143 6.2113 6.2113 6.3847 6.3847 6.9932 6.9932 9.7630 9.7630 13.3421 13.3421 14.5202 14.5202 15.8806 15.8806 k = 0.7076-0.1799-0.5441 ( 3084 PWs) bands (ev): -40.1860 -40.1860 -12.4279 -12.4279 -12.2681 -12.2681 -12.1517 -12.1517 -8.4076 -8.4076 -8.1959 -8.1959 -6.4346 -6.4346 -6.2270 -6.2270 -5.5979 -5.5979 -5.4564 -5.4564 -5.3072 -5.3072 2.8986 2.8986 5.0194 5.0194 6.1465 6.1465 6.1993 6.1993 6.4136 6.4136 7.0049 7.0049 9.7413 9.7413 13.4487 13.4487 14.6371 14.6371 15.8079 15.8079 k = 0.7025-0.1720-0.5287 ( 3088 PWs) bands (ev): -40.1863 -40.1863 -12.4254 -12.4254 -12.2690 -12.2690 -12.1486 -12.1486 -8.4175 -8.4175 -8.1978 -8.1978 -6.4388 -6.4388 -6.2308 -6.2308 -5.6026 -5.6026 -5.4596 -5.4596 -5.3120 -5.3120 2.8558 2.8558 5.0590 5.0590 6.1528 6.1528 6.2104 6.2104 6.4427 6.4427 7.0166 7.0166 9.7219 9.7219 13.5596 13.5596 14.7507 14.7507 15.7390 15.7390 k = 0.6974-0.1640-0.5132 ( 3088 PWs) bands (ev): -40.1866 -40.1866 -12.4226 -12.4226 -12.2697 -12.2697 -12.1456 -12.1456 -8.4275 -8.4275 -8.2001 -8.2001 -6.4429 -6.4429 -6.2349 -6.2349 -5.6074 -5.6074 -5.4626 -5.4626 -5.3172 -5.3172 2.8144 2.8144 5.1005 5.1005 6.1366 6.1366 6.2420 6.2420 6.4714 6.4714 7.0286 7.0286 9.7047 9.7047 13.6748 13.6748 14.8568 14.8568 15.6784 15.6784 k = 0.6924-0.1561-0.4978 ( 3090 PWs) bands (ev): -40.1870 -40.1870 -12.4199 -12.4199 -12.2704 -12.2704 -12.1427 -12.1427 -8.4378 -8.4378 -8.2026 -8.2026 -6.4469 -6.4469 -6.2392 -6.2392 -5.6123 -5.6123 -5.4655 -5.4655 -5.3227 -5.3227 2.7743 2.7743 5.1437 5.1437 6.1157 6.1157 6.2767 6.2767 6.4993 6.4993 7.0409 7.0409 9.6898 9.6898 13.7940 13.7940 14.9470 14.9470 15.6346 15.6346 k = 0.6873-0.1481-0.4823 ( 3086 PWs) bands (ev): -40.1873 -40.1873 -12.4171 -12.4171 -12.2708 -12.2708 -12.1397 -12.1397 -8.4482 -8.4482 -8.2053 -8.2053 -6.4508 -6.4508 -6.2437 -6.2437 -5.6174 -5.6174 -5.4682 -5.4682 -5.3285 -5.3285 2.7357 2.7357 5.1884 5.1884 6.0940 6.0940 6.3111 6.3111 6.5263 6.5263 7.0535 7.0535 9.6768 9.6768 13.9170 13.9170 15.0083 15.0083 15.6212 15.6212 k = 0.6823-0.1402-0.4669 ( 3084 PWs) bands (ev): -40.1876 -40.1876 -12.4144 -12.4144 -12.2709 -12.2709 -12.1368 -12.1368 -8.4589 -8.4589 -8.2082 -8.2082 -6.4546 -6.4546 -6.2484 -6.2484 -5.6225 -5.6225 -5.4709 -5.4709 -5.3344 -5.3344 2.6985 2.6985 5.2340 5.2340 6.0726 6.0726 6.3446 6.3446 6.5523 6.5523 7.0663 7.0663 9.6658 9.6658 14.0433 14.0433 15.0278 15.0278 15.6514 15.6514 k = 0.6772-0.1322-0.4515 ( 3084 PWs) bands (ev): -40.1880 -40.1880 -12.4118 -12.4118 -12.2708 -12.2708 -12.1340 -12.1340 -8.4698 -8.4698 -8.2114 -8.2114 -6.4583 -6.4583 -6.2533 -6.2533 -5.6277 -5.6277 -5.4735 -5.4735 -5.3406 -5.3406 2.6628 2.6628 5.2801 5.2801 6.0523 6.0523 6.3767 6.3767 6.5772 6.5772 7.0796 7.0796 9.6566 9.6566 14.1721 14.1721 15.0067 15.0067 15.7249 15.7249 k = 0.6721-0.1243-0.4360 ( 3084 PWs) bands (ev): -40.1883 -40.1883 -12.4094 -12.4094 -12.2703 -12.2703 -12.1312 -12.1312 -8.4808 -8.4808 -8.2148 -8.2148 -6.4620 -6.4620 -6.2583 -6.2583 -5.6330 -5.6330 -5.4759 -5.4759 -5.3469 -5.3469 2.6286 2.6286 5.3258 5.3258 6.0339 6.0339 6.4076 6.4076 6.6010 6.6010 7.0933 7.0933 9.6490 9.6490 14.3015 14.3015 14.9594 14.9594 15.8291 15.8291 k = 0.6671-0.1164-0.4206 ( 3084 PWs) bands (ev): -40.1887 -40.1887 -12.4073 -12.4073 -12.2693 -12.2693 -12.1285 -12.1285 -8.4921 -8.4921 -8.2184 -8.2184 -6.4655 -6.4655 -6.2634 -6.2634 -5.6383 -5.6383 -5.4783 -5.4783 -5.3533 -5.3533 2.5959 2.5959 5.3703 5.3703 6.0184 6.0184 6.4370 6.4370 6.6238 6.6238 7.1073 7.1073 9.6430 9.6430 14.4267 14.4267 14.9028 14.9028 15.9521 15.9521 k = 0.6620-0.1084-0.4051 ( 3086 PWs) bands (ev): -40.1890 -40.1890 -12.4056 -12.4056 -12.2678 -12.2678 -12.1258 -12.1258 -8.5035 -8.5035 -8.2221 -8.2221 -6.4690 -6.4690 -6.2687 -6.2687 -5.6436 -5.6436 -5.4807 -5.4807 -5.3597 -5.3597 2.5646 2.5646 5.4123 5.4123 6.0070 6.0070 6.4650 6.4650 6.6454 6.6454 7.1217 7.1217 9.6384 9.6384 14.5311 14.5311 14.8607 14.8607 16.0865 16.0865 k = 0.6569-0.1005-0.3897 ( 3090 PWs) bands (ev): -40.1894 -40.1894 -12.4042 -12.4042 -12.2658 -12.2658 -12.1233 -12.1233 -8.5150 -8.5150 -8.2260 -8.2260 -6.4725 -6.4725 -6.2740 -6.2740 -5.6489 -5.6489 -5.4830 -5.4830 -5.3660 -5.3660 2.5349 2.5349 5.4501 5.4501 6.0016 6.0016 6.4916 6.4916 6.6660 6.6660 7.1365 7.1365 9.6351 9.6351 14.5696 14.5696 14.8821 14.8821 16.2284 16.2284 k = 0.6519-0.0925-0.3743 ( 3086 PWs) bands (ev): -40.1897 -40.1897 -12.4032 -12.4032 -12.2633 -12.2633 -12.1207 -12.1207 -8.5267 -8.5267 -8.2300 -8.2300 -6.4758 -6.4758 -6.2794 -6.2794 -5.6542 -5.6542 -5.4852 -5.4852 -5.3723 -5.3723 2.5066 2.5066 5.4819 5.4819 6.0037 6.0037 6.5169 6.5169 6.6856 6.6856 7.1517 7.1517 9.6330 9.6330 14.5285 14.5285 14.9828 14.9828 16.3754 16.3754 k = 0.6468-0.0846-0.3588 ( 3092 PWs) bands (ev): -40.1901 -40.1901 -12.4027 -12.4027 -12.2602 -12.2602 -12.1181 -12.1181 -8.5385 -8.5385 -8.2342 -8.2342 -6.4791 -6.4791 -6.2849 -6.2849 -5.6595 -5.6595 -5.4875 -5.4875 -5.3785 -5.3785 2.4798 2.4798 5.5059 5.5059 6.0152 6.0152 6.5408 6.5408 6.7042 6.7042 7.1671 7.1671 9.6319 9.6319 14.4527 14.4527 15.1191 15.1191 16.5264 16.5264 k = 0.6418-0.0766-0.3434 ( 3088 PWs) bands (ev): -40.1905 -40.1905 -12.4027 -12.4027 -12.2565 -12.2565 -12.1156 -12.1156 -8.5504 -8.5504 -8.2385 -8.2385 -6.4824 -6.4824 -6.2904 -6.2904 -5.6647 -5.6647 -5.4897 -5.4897 -5.3845 -5.3845 2.4544 2.4544 5.5210 5.5210 6.0371 6.0371 6.5634 6.5634 6.7218 6.7218 7.1827 7.1827 9.6318 9.6318 14.3646 14.3646 15.2693 15.2693 16.6804 16.6804 k = 0.6367-0.0687-0.3279 ( 3090 PWs) bands (ev): -40.1908 -40.1908 -12.4030 -12.4030 -12.2524 -12.2524 -12.1132 -12.1132 -8.5623 -8.5623 -8.2428 -8.2428 -6.4856 -6.4856 -6.2960 -6.2960 -5.6699 -5.6699 -5.4920 -5.4920 -5.3902 -5.3902 2.4304 2.4304 5.5273 5.5273 6.0692 6.0692 6.5848 6.5848 6.7386 6.7386 7.1984 7.1984 9.6325 9.6325 14.2713 14.2713 15.4268 15.4268 16.8369 16.8369 k = 0.6316-0.0608-0.3125 ( 3088 PWs) bands (ev): -40.1912 -40.1912 -12.4038 -12.4038 -12.2478 -12.2478 -12.1107 -12.1107 -8.5743 -8.5743 -8.2472 -8.2472 -6.4888 -6.4888 -6.3015 -6.3015 -5.6750 -5.6750 -5.4944 -5.4944 -5.3957 -5.3957 2.4078 2.4078 5.5257 5.5257 6.1104 6.1104 6.6051 6.6051 6.7545 6.7545 7.2142 7.2142 9.6339 9.6339 14.1754 14.1754 15.5891 15.5891 16.9953 16.9953 k = 0.6266-0.0528-0.2971 ( 3090 PWs) bands (ev): -40.1915 -40.1915 -12.4049 -12.4049 -12.2428 -12.2428 -12.1083 -12.1083 -8.5863 -8.5863 -8.2516 -8.2516 -6.4919 -6.4919 -6.3069 -6.3069 -5.6801 -5.6801 -5.4968 -5.4968 -5.4008 -5.4008 2.3865 2.3865 5.5179 5.5179 6.1591 6.1591 6.6243 6.6243 6.7698 6.7698 7.2300 7.2300 9.6359 9.6359 14.0782 14.0782 15.7551 15.7551 17.1551 17.1551 k = 0.6215-0.0449-0.2816 ( 3086 PWs) bands (ev): -40.1919 -40.1919 -12.4064 -12.4064 -12.2374 -12.2374 -12.1058 -12.1058 -8.5983 -8.5983 -8.2561 -8.2561 -6.4951 -6.4951 -6.3124 -6.3124 -5.6850 -5.6850 -5.4992 -5.4992 -5.4056 -5.4056 2.3666 2.3666 5.5054 5.5054 6.2134 6.2134 6.6425 6.6425 6.7843 6.7843 7.2457 7.2457 9.6385 9.6385 13.9805 13.9805 15.9242 15.9242 17.3161 17.3161 k = 0.6164-0.0369-0.2662 ( 3090 PWs) bands (ev): -40.1922 -40.1922 -12.4081 -12.4081 -12.2318 -12.2318 -12.1034 -12.1034 -8.6102 -8.6102 -8.2606 -8.2606 -6.4981 -6.4981 -6.3177 -6.3177 -5.6898 -5.6898 -5.5018 -5.5018 -5.4100 -5.4100 2.3479 2.3479 5.4895 5.4895 6.2717 6.2717 6.6598 6.6598 6.7984 6.7984 7.2613 7.2613 9.6415 9.6415 13.8827 13.8827 16.0956 16.0956 17.4777 17.4777 k = 0.6114-0.0290-0.2507 ( 3086 PWs) bands (ev): -40.1926 -40.1926 -12.4101 -12.4101 -12.2260 -12.2260 -12.1010 -12.1010 -8.6220 -8.6220 -8.2650 -8.2650 -6.5012 -6.5012 -6.3229 -6.3229 -5.6946 -5.6946 -5.5044 -5.5044 -5.4141 -5.4141 2.3304 2.3304 5.4713 5.4713 6.3329 6.3329 6.6763 6.6763 6.8122 6.8122 7.2766 7.2766 9.6448 9.6448 13.7853 13.7853 16.2690 16.2690 17.6395 17.6395 k = 0.6063-0.0210-0.2353 ( 3088 PWs) bands (ev): -40.1929 -40.1929 -12.4123 -12.4123 -12.2201 -12.2201 -12.0985 -12.0985 -8.6337 -8.6337 -8.2694 -8.2694 -6.5042 -6.5042 -6.3280 -6.3280 -5.6992 -5.6992 -5.5071 -5.5071 -5.4177 -5.4177 2.3141 2.3141 5.4517 5.4517 6.3955 6.3955 6.6919 6.6919 6.8260 6.8260 7.2915 7.2915 9.6484 9.6484 13.6887 13.6887 16.4439 16.4439 17.8012 17.8012 k = 0.6013-0.0131-0.2199 ( 3084 PWs) bands (ev): -40.1932 -40.1932 -12.4146 -12.4146 -12.2141 -12.2141 -12.0960 -12.0960 -8.6452 -8.6452 -8.2738 -8.2738 -6.5072 -6.5072 -6.3330 -6.3330 -5.7036 -5.7036 -5.5099 -5.5099 -5.4209 -5.4209 2.2990 2.2990 5.4313 5.4313 6.4586 6.4586 6.7068 6.7068 6.8400 6.8400 7.3061 7.3061 9.6523 9.6523 13.5931 13.5931 16.6197 16.6197 17.9620 17.9620 k = 0.5962-0.0051-0.2044 ( 3086 PWs) bands (ev): -40.1935 -40.1935 -12.4170 -12.4170 -12.2083 -12.2083 -12.0935 -12.0935 -8.6566 -8.6566 -8.2781 -8.2781 -6.5101 -6.5101 -6.3378 -6.3378 -5.7080 -5.7080 -5.5126 -5.5126 -5.4238 -5.4238 2.2849 2.2849 5.4104 5.4104 6.5209 6.5209 6.7211 6.7211 6.8550 6.8550 7.3203 7.3203 9.6562 9.6562 13.4990 13.4990 16.7959 16.7959 18.1214 18.1214 k = 0.5911 0.0028-0.1890 ( 3080 PWs) bands (ev): -40.1938 -40.1938 -12.4194 -12.4194 -12.2024 -12.2024 -12.0909 -12.0909 -8.6677 -8.6677 -8.2823 -8.2823 -6.5130 -6.5130 -6.3424 -6.3424 -5.7121 -5.7121 -5.5154 -5.5154 -5.4263 -5.4263 2.2719 2.2719 5.3895 5.3895 6.5810 6.5810 6.7348 6.7348 6.8717 6.8717 7.3339 7.3339 9.6603 9.6603 13.4065 13.4065 16.9719 16.9719 18.2785 18.2785 k = 0.5861 0.0107-0.1735 ( 3084 PWs) bands (ev): -40.1941 -40.1941 -12.4220 -12.4220 -12.1968 -12.1968 -12.0883 -12.0883 -8.6785 -8.6785 -8.2864 -8.2864 -6.5159 -6.5159 -6.3468 -6.3468 -5.7161 -5.7161 -5.5182 -5.5182 -5.4284 -5.4284 2.2599 2.2599 5.3688 5.3688 6.6370 6.6370 6.7481 6.7481 6.8916 6.8916 7.3470 7.3470 9.6644 9.6644 13.3160 13.3160 17.1469 17.1469 18.4325 18.4325 k = 0.5810 0.0187-0.1581 ( 3080 PWs) bands (ev): -40.1944 -40.1944 -12.4245 -12.4245 -12.1913 -12.1913 -12.0857 -12.0857 -8.6889 -8.6889 -8.2904 -8.2904 -6.5187 -6.5187 -6.3510 -6.3510 -5.7200 -5.7200 -5.5209 -5.5209 -5.4303 -5.4303 2.2489 2.2489 5.3485 5.3485 6.6864 6.6864 6.7612 6.7612 6.9163 6.9163 7.3595 7.3595 9.6684 9.6684 13.2278 13.2278 17.3202 17.3202 18.5821 18.5821 k = 0.5759 0.0266-0.1427 ( 3076 PWs) bands (ev): -40.1947 -40.1947 -12.4269 -12.4269 -12.1861 -12.1861 -12.0830 -12.0830 -8.6991 -8.6991 -8.2942 -8.2942 -6.5214 -6.5214 -6.3550 -6.3550 -5.7237 -5.7237 -5.5236 -5.5236 -5.4318 -5.4318 2.2388 2.2388 5.3288 5.3288 6.7265 6.7265 6.7746 6.7746 6.9478 6.9478 7.3714 7.3714 9.6724 9.6724 13.1422 13.1422 17.4909 17.4909 18.7256 18.7256 k = 0.5709 0.0346-0.1272 ( 3074 PWs) bands (ev): -40.1949 -40.1949 -12.4294 -12.4294 -12.1812 -12.1812 -12.0802 -12.0802 -8.7087 -8.7087 -8.2979 -8.2979 -6.5241 -6.5241 -6.3588 -6.3588 -5.7271 -5.7271 -5.5262 -5.5262 -5.4331 -5.4331 2.2296 2.2296 5.3099 5.3099 6.7557 6.7557 6.7889 6.7889 6.9868 6.9868 7.3826 7.3826 9.6763 9.6763 13.0596 13.0596 17.6577 17.6577 18.8607 18.8607 k = 0.5658 0.0425-0.1118 ( 3072 PWs) bands (ev): -40.1952 -40.1952 -12.4317 -12.4317 -12.1766 -12.1766 -12.0775 -12.0775 -8.7180 -8.7180 -8.3014 -8.3014 -6.5266 -6.5266 -6.3623 -6.3623 -5.7304 -5.7304 -5.5286 -5.5286 -5.4342 -5.4342 2.2212 2.2212 5.2918 5.2918 6.7751 6.7751 6.8037 6.8037 7.0319 7.0319 7.3931 7.3931 9.6800 9.6800 12.9802 12.9802 17.8195 17.8195 18.9838 18.9838 k = 0.5608 0.0505-0.0963 ( 3072 PWs) bands (ev): -40.1954 -40.1954 -12.4340 -12.4340 -12.1724 -12.1724 -12.0748 -12.0748 -8.7267 -8.7267 -8.3046 -8.3046 -6.5290 -6.5290 -6.3656 -6.3656 -5.7335 -5.7335 -5.5309 -5.5309 -5.4351 -5.4351 2.2136 2.2136 5.2747 5.2747 6.7886 6.7886 6.8173 6.8173 7.0807 7.0807 7.4030 7.4030 9.6836 9.6836 12.9045 12.9045 17.9747 17.9747 19.0891 19.0891 k = 0.5557 0.0584-0.0809 ( 3068 PWs) bands (ev): -40.1956 -40.1956 -12.4361 -12.4361 -12.1685 -12.1685 -12.0721 -12.0721 -8.7350 -8.7350 -8.3077 -8.3077 -6.5314 -6.5314 -6.3686 -6.3686 -5.7363 -5.7363 -5.5331 -5.5331 -5.4359 -5.4359 2.2068 2.2068 5.2588 5.2588 6.7991 6.7991 6.8287 6.8287 7.1308 7.1308 7.4121 7.4121 9.6869 9.6869 12.8329 12.8329 18.1216 18.1216 19.1697 19.1697 k = 0.5506 0.0663-0.0655 ( 3072 PWs) bands (ev): -40.1958 -40.1958 -12.4381 -12.4381 -12.1651 -12.1651 -12.0694 -12.0694 -8.7426 -8.7426 -8.3106 -8.3106 -6.5336 -6.5336 -6.3713 -6.3713 -5.7390 -5.7390 -5.5351 -5.5351 -5.4365 -5.4365 2.2006 2.2006 5.2439 5.2439 6.8078 6.8078 6.8380 6.8380 7.1803 7.1803 7.4204 7.4204 9.6900 9.6900 12.7657 12.7657 18.2581 18.2581 19.2220 19.2220 k = 0.5456 0.0743-0.0500 ( 3066 PWs) bands (ev): -40.1960 -40.1960 -12.4400 -12.4400 -12.1619 -12.1619 -12.0669 -12.0669 -8.7496 -8.7496 -8.3132 -8.3132 -6.5356 -6.5356 -6.3738 -6.3738 -5.7414 -5.7414 -5.5370 -5.5370 -5.4370 -5.4370 2.1952 2.1952 5.2303 5.2303 6.8154 6.8154 6.8457 6.8457 7.2280 7.2280 7.4281 7.4281 9.6929 9.6929 12.7032 12.7032 18.3819 18.3819 19.2528 19.2528 k = 0.5405 0.0822-0.0346 ( 3070 PWs) bands (ev): -40.1961 -40.1961 -12.4417 -12.4417 -12.1592 -12.1592 -12.0645 -12.0645 -8.7560 -8.7560 -8.3156 -8.3156 -6.5375 -6.5375 -6.3761 -6.3761 -5.7435 -5.7435 -5.5386 -5.5386 -5.4373 -5.4373 2.1904 2.1904 5.2180 5.2180 6.8219 6.8219 6.8521 6.8521 7.2728 7.2728 7.4350 7.4350 9.6955 9.6955 12.6460 12.6460 18.4908 18.4908 19.2730 19.2730 k = 0.5354 0.0902-0.0191 ( 3074 PWs) bands (ev): -40.1963 -40.1963 -12.4433 -12.4433 -12.1568 -12.1568 -12.0623 -12.0623 -8.7618 -8.7618 -8.3177 -8.3177 -6.5391 -6.5391 -6.3780 -6.3780 -5.7455 -5.7455 -5.5401 -5.5401 -5.4376 -5.4376 2.1863 2.1863 5.2070 5.2070 6.8274 6.8274 6.8575 6.8575 7.3139 7.3139 7.4411 7.4411 9.6978 9.6978 12.5944 12.5944 18.5830 18.5830 19.2907 19.2907 k = 0.5304 0.0981-0.0037 ( 3076 PWs) bands (ev): -40.1964 -40.1964 -12.4446 -12.4446 -12.1548 -12.1548 -12.0603 -12.0603 -8.7668 -8.7668 -8.3196 -8.3196 -6.5406 -6.5406 -6.3797 -6.3797 -5.7471 -5.7471 -5.5414 -5.5414 -5.4379 -5.4379 2.1827 2.1827 5.1974 5.1974 6.8322 6.8322 6.8620 6.8620 7.3506 7.3506 7.4466 7.4466 9.6999 9.6999 12.5488 12.5488 18.6573 18.6573 19.3098 19.3098 k = 0.5253 0.1061 0.0117 ( 3082 PWs) bands (ev): -40.1965 -40.1965 -12.4458 -12.4458 -12.1532 -12.1532 -12.0585 -12.0585 -8.7711 -8.7711 -8.3212 -8.3212 -6.5419 -6.5419 -6.3812 -6.3812 -5.7486 -5.7486 -5.5424 -5.5424 -5.4381 -5.4381 2.1798 2.1798 5.1892 5.1892 6.8361 6.8361 6.8657 6.8657 7.3824 7.3824 7.4514 7.4514 9.7016 9.7016 12.5094 12.5094 18.7142 18.7142 19.3309 19.3309 k = 0.5203 0.1140 0.0272 ( 3090 PWs) bands (ev): -40.1966 -40.1966 -12.4468 -12.4468 -12.1519 -12.1519 -12.0571 -12.0571 -8.7746 -8.7746 -8.3225 -8.3225 -6.5430 -6.5430 -6.3824 -6.3824 -5.7497 -5.7497 -5.5433 -5.5433 -5.4382 -5.4382 2.1774 2.1774 5.1824 5.1824 6.8392 6.8392 6.8687 6.8687 7.4087 7.4087 7.4558 7.4558 9.7030 9.7030 12.4768 12.4768 18.7554 18.7554 19.3526 19.3526 k = 0.5152 0.1220 0.0426 ( 3090 PWs) bands (ev): -40.1967 -40.1967 -12.4476 -12.4476 -12.1508 -12.1508 -12.0559 -12.0559 -8.7774 -8.7774 -8.3235 -8.3235 -6.5438 -6.5438 -6.3833 -6.3833 -5.7507 -5.7507 -5.5440 -5.5440 -5.4383 -5.4383 2.1755 2.1755 5.1771 5.1771 6.8416 6.8416 6.8710 6.8710 7.4287 7.4287 7.4600 7.4600 9.7041 9.7041 12.4510 12.4510 18.7836 18.7836 19.3727 19.3727 k = 0.5101 0.1299 0.0581 ( 3090 PWs) bands (ev): -40.1967 -40.1967 -12.4481 -12.4481 -12.1501 -12.1501 -12.0550 -12.0550 -8.7794 -8.7794 -8.3243 -8.3243 -6.5444 -6.5444 -6.3839 -6.3839 -5.7513 -5.7513 -5.5445 -5.5445 -5.4384 -5.4384 2.1742 2.1742 5.1734 5.1734 6.8433 6.8433 6.8727 6.8727 7.4418 7.4418 7.4643 7.4643 9.7049 9.7049 12.4325 12.4325 18.8015 18.8015 19.3887 19.3887 k = 0.5051 0.1378 0.0735 ( 3090 PWs) bands (ev): -40.1968 -40.1968 -12.4484 -12.4484 -12.1496 -12.1496 -12.0545 -12.0545 -8.7806 -8.7806 -8.3247 -8.3247 -6.5448 -6.5448 -6.3843 -6.3843 -5.7517 -5.7517 -5.5448 -5.5448 -5.4384 -5.4384 2.1734 2.1734 5.1711 5.1711 6.8443 6.8443 6.8737 6.8737 7.4484 7.4484 7.4684 7.4684 9.7054 9.7054 12.4213 12.4213 18.8113 18.8113 19.3990 19.3990 k = 0.5000 0.1458 0.0889 ( 3086 PWs) bands (ev): -40.1968 -40.1968 -12.4485 -12.4485 -12.1495 -12.1495 -12.0543 -12.0543 -8.7810 -8.7810 -8.3249 -8.3249 -6.5449 -6.5449 -6.3845 -6.3845 -5.7518 -5.7518 -5.5449 -5.5449 -5.4384 -5.4384 2.1732 2.1732 5.1703 5.1703 6.8447 6.8447 6.8740 6.8740 7.4503 7.4503 7.4701 7.4701 9.7056 9.7056 12.4175 12.4175 18.8145 18.8145 19.4025 19.4025 k = 0.5000 0.1458 0.0889 ( 3086 PWs) bands (ev): -40.1968 -40.1968 -12.4485 -12.4485 -12.1495 -12.1495 -12.0543 -12.0543 -8.7810 -8.7810 -8.3249 -8.3249 -6.5449 -6.5449 -6.3845 -6.3845 -5.7518 -5.7518 -5.5449 -5.5449 -5.4384 -5.4384 2.1732 2.1732 5.1703 5.1703 6.8447 6.8447 6.8740 6.8740 7.4503 7.4503 7.4701 7.4701 9.7056 9.7056 12.4175 12.4175 18.8145 18.8145 19.4025 19.4025 k = 0.4828 0.1408 0.0859 ( 3086 PWs) bands (ev): -40.1968 -40.1968 -12.4485 -12.4485 -12.1495 -12.1495 -12.0543 -12.0543 -8.7823 -8.7823 -8.3234 -8.3234 -6.5449 -6.5449 -6.3845 -6.3845 -5.7518 -5.7518 -5.5449 -5.5449 -5.4384 -5.4384 2.1717 2.1717 5.1735 5.1735 6.8450 6.8450 6.8744 6.8744 7.4499 7.4499 7.4697 7.4697 9.7007 9.7007 12.4212 12.4212 18.8127 18.8127 19.4024 19.4024 k = 0.4655 0.1357 0.0828 ( 3086 PWs) bands (ev): -40.1968 -40.1968 -12.4484 -12.4484 -12.1494 -12.1494 -12.0543 -12.0543 -8.7863 -8.7863 -8.3192 -8.3192 -6.5449 -6.5449 -6.3845 -6.3845 -5.7518 -5.7518 -5.5450 -5.5450 -5.4384 -5.4384 2.1671 2.1671 5.1831 5.1831 6.8460 6.8460 6.8753 6.8753 7.4489 7.4489 7.4687 7.4687 9.6860 9.6860 12.4321 12.4321 18.8076 18.8076 19.4021 19.4021 k = 0.4483 0.1307 0.0797 ( 3090 PWs) bands (ev): -40.1968 -40.1968 -12.4482 -12.4482 -12.1495 -12.1495 -12.0543 -12.0543 -8.7927 -8.7927 -8.3123 -8.3123 -6.5449 -6.5449 -6.3845 -6.3845 -5.7519 -5.7519 -5.5450 -5.5450 -5.4384 -5.4384 2.1596 2.1596 5.1989 5.1989 6.8477 6.8477 6.8769 6.8769 7.4471 7.4471 7.4671 7.4671 9.6619 9.6619 12.4499 12.4499 18.7992 18.7992 19.4017 19.4017 k = 0.4310 0.1257 0.0767 ( 3090 PWs) bands (ev): -40.1968 -40.1968 -12.4479 -12.4479 -12.1494 -12.1494 -12.0543 -12.0543 -8.8014 -8.8014 -8.3030 -8.3030 -6.5449 -6.5449 -6.3845 -6.3845 -5.7519 -5.7519 -5.5450 -5.5450 -5.4384 -5.4384 2.1494 2.1494 5.2208 5.2208 6.8500 6.8500 6.8791 6.8791 7.4447 7.4447 7.4648 7.4648 9.6289 9.6289 12.4740 12.4740 18.7879 18.7879 19.4011 19.4011 k = 0.4138 0.1206 0.0736 ( 3090 PWs) bands (ev): -40.1968 -40.1968 -12.4476 -12.4476 -12.1494 -12.1494 -12.0543 -12.0543 -8.8118 -8.8118 -8.2917 -8.2917 -6.5449 -6.5449 -6.3846 -6.3846 -5.7519 -5.7519 -5.5451 -5.5451 -5.4384 -5.4384 2.1365 2.1365 5.2485 5.2485 6.8530 6.8530 6.8820 6.8820 7.4415 7.4415 7.4619 7.4619 9.5875 9.5875 12.5040 12.5040 18.7739 18.7739 19.4003 19.4003 k = 0.3966 0.1156 0.0705 ( 3081 PWs) bands (ev): -40.1968 -40.1968 -12.4472 -12.4472 -12.1493 -12.1493 -12.0543 -12.0543 -8.8238 -8.8238 -8.2788 -8.2788 -6.5450 -6.5450 -6.3846 -6.3846 -5.7519 -5.7519 -5.5452 -5.5452 -5.4385 -5.4385 2.1213 2.1213 5.2820 5.2820 6.8567 6.8567 6.8855 6.8855 7.4378 7.4378 7.4583 7.4583 9.5385 9.5385 12.5390 12.5390 18.7577 18.7577 19.3994 19.3994 k = 0.3793 0.1106 0.0675 ( 3072 PWs) bands (ev): -40.1968 -40.1968 -12.4466 -12.4466 -12.1492 -12.1492 -12.0542 -12.0542 -8.8369 -8.8369 -8.2645 -8.2645 -6.5450 -6.5450 -6.3847 -6.3847 -5.7519 -5.7519 -5.5453 -5.5453 -5.4385 -5.4385 2.1040 2.1040 5.3207 5.3207 6.8610 6.8610 6.8895 6.8895 7.4334 7.4334 7.4542 7.4542 9.4826 9.4826 12.5782 12.5782 18.7398 18.7398 19.3982 19.3982 k = 0.3621 0.1056 0.0644 ( 3066 PWs) bands (ev): -40.1967 -40.1967 -12.4461 -12.4461 -12.1491 -12.1491 -12.0542 -12.0542 -8.8510 -8.8510 -8.2492 -8.2492 -6.5450 -6.5450 -6.3848 -6.3848 -5.7519 -5.7519 -5.5454 -5.5454 -5.4385 -5.4385 2.0850 2.0850 5.3644 5.3644 6.8659 6.8659 6.8941 6.8941 7.4283 7.4283 7.4495 7.4495 9.4207 9.4207 12.6208 12.6208 18.7206 18.7206 19.3969 19.3969 k = 0.3448 0.1005 0.0613 ( 3057 PWs) bands (ev): -40.1967 -40.1967 -12.4455 -12.4455 -12.1490 -12.1490 -12.0541 -12.0541 -8.8656 -8.8656 -8.2332 -8.2332 -6.5450 -6.5450 -6.3849 -6.3849 -5.7519 -5.7519 -5.5455 -5.5455 -5.4385 -5.4385 2.0645 2.0645 5.4127 5.4127 6.8713 6.8713 6.8993 6.8993 7.4228 7.4228 7.4443 7.4443 9.3534 9.3534 12.6661 12.6661 18.7004 18.7004 19.3954 19.3954 k = 0.3276 0.0955 0.0583 ( 3057 PWs) bands (ev): -40.1967 -40.1967 -12.4449 -12.4449 -12.1490 -12.1490 -12.0541 -12.0541 -8.8805 -8.8805 -8.2167 -8.2167 -6.5450 -6.5450 -6.3849 -6.3849 -5.7520 -5.7520 -5.5456 -5.5456 -5.4386 -5.4386 2.0428 2.0428 5.4653 5.4653 6.8773 6.8773 6.9049 6.9049 7.4166 7.4166 7.4385 7.4385 9.2815 9.2815 12.7133 12.7133 18.6798 18.6798 19.3937 19.3937 k = 0.3103 0.0905 0.0552 ( 3045 PWs) bands (ev): -40.1967 -40.1967 -12.4442 -12.4442 -12.1488 -12.1488 -12.0541 -12.0541 -8.8956 -8.8956 -8.2000 -8.2000 -6.5450 -6.5450 -6.3850 -6.3850 -5.7520 -5.7520 -5.5458 -5.5458 -5.4386 -5.4386 2.0203 2.0203 5.5217 5.5217 6.8838 6.8838 6.9110 6.9110 7.4100 7.4100 7.4323 7.4323 9.2058 9.2058 12.7617 12.7617 18.6590 18.6590 19.3919 19.3919 k = 0.2931 0.0855 0.0521 ( 3045 PWs) bands (ev): -40.1967 -40.1967 -12.4435 -12.4435 -12.1487 -12.1487 -12.0540 -12.0540 -8.9106 -8.9106 -8.1833 -8.1833 -6.5451 -6.5451 -6.3851 -6.3851 -5.7520 -5.7520 -5.5459 -5.5459 -5.4386 -5.4386 1.9972 1.9972 5.5816 5.5816 6.8908 6.8908 6.9175 6.9175 7.4028 7.4028 7.4256 7.4256 9.1268 9.1268 12.8105 12.8105 18.6384 18.6384 19.3901 19.3901 k = 0.2759 0.0804 0.0491 ( 3054 PWs) bands (ev): -40.1967 -40.1967 -12.4429 -12.4429 -12.1487 -12.1487 -12.0541 -12.0541 -8.9255 -8.9255 -8.1668 -8.1668 -6.5451 -6.5451 -6.3852 -6.3852 -5.7520 -5.7520 -5.5461 -5.5461 -5.4387 -5.4387 1.9739 1.9739 5.6446 5.6446 6.8981 6.8981 6.9244 6.9244 7.3952 7.3952 7.4185 7.4185 9.0452 9.0452 12.8593 12.8593 18.6184 18.6184 19.3881 19.3881 k = 0.2586 0.0754 0.0460 ( 3054 PWs) bands (ev): -40.1967 -40.1967 -12.4422 -12.4422 -12.1486 -12.1486 -12.0541 -12.0541 -8.9399 -8.9399 -8.1506 -8.1506 -6.5451 -6.5451 -6.3853 -6.3853 -5.7521 -5.7521 -5.5462 -5.5462 -5.4387 -5.4387 1.9506 1.9506 5.7102 5.7102 6.9059 6.9059 6.9317 6.9317 7.3873 7.3873 7.4111 7.4111 8.9616 8.9616 12.9074 12.9074 18.5990 18.5990 19.3860 19.3860 k = 0.2414 0.0704 0.0429 ( 3048 PWs) bands (ev): -40.1967 -40.1967 -12.4414 -12.4414 -12.1485 -12.1485 -12.0541 -12.0541 -8.9539 -8.9539 -8.1348 -8.1348 -6.5451 -6.5451 -6.3855 -6.3855 -5.7521 -5.7521 -5.5464 -5.5464 -5.4387 -5.4387 1.9277 1.9277 5.7781 5.7781 6.9140 6.9140 6.9392 6.9392 7.3790 7.3790 7.4034 7.4034 8.8766 8.8766 12.9544 12.9544 18.5806 18.5806 19.3840 19.3840 k = 0.2241 0.0654 0.0399 ( 3048 PWs) bands (ev): -40.1967 -40.1967 -12.4407 -12.4407 -12.1484 -12.1484 -12.0541 -12.0541 -8.9674 -8.9674 -8.1196 -8.1196 -6.5452 -6.5452 -6.3856 -6.3856 -5.7521 -5.7521 -5.5465 -5.5465 -5.4388 -5.4388 1.9053 1.9053 5.8477 5.8477 6.9222 6.9222 6.9469 6.9469 7.3705 7.3705 7.3955 7.3955 8.7907 8.7907 12.9999 12.9999 18.5633 18.5633 19.3819 19.3819 k = 0.2069 0.0603 0.0368 ( 3048 PWs) bands (ev): -40.1967 -40.1967 -12.4401 -12.4401 -12.1484 -12.1484 -12.0540 -12.0540 -8.9801 -8.9801 -8.1051 -8.1051 -6.5452 -6.5452 -6.3857 -6.3857 -5.7521 -5.7521 -5.5467 -5.5467 -5.4388 -5.4388 1.8836 1.8836 5.9185 5.9185 6.9307 6.9307 6.9548 6.9548 7.3618 7.3618 7.3875 7.3875 8.7046 8.7046 13.0433 13.0433 18.5472 18.5472 19.3798 19.3798 k = 0.1897 0.0553 0.0337 ( 3039 PWs) bands (ev): -40.1967 -40.1967 -12.4394 -12.4394 -12.1482 -12.1482 -12.0540 -12.0540 -8.9921 -8.9921 -8.0914 -8.0914 -6.5452 -6.5452 -6.3858 -6.3858 -5.7522 -5.7522 -5.5468 -5.5468 -5.4388 -5.4388 1.8630 1.8630 5.9900 5.9900 6.9393 6.9393 6.9627 6.9627 7.3531 7.3531 7.3794 7.3794 8.6189 8.6189 13.0844 13.0844 18.5324 18.5324 19.3778 19.3778 k = 0.1724 0.0503 0.0307 ( 3039 PWs) bands (ev): -40.1967 -40.1967 -12.4387 -12.4387 -12.1481 -12.1481 -12.0540 -12.0540 -9.0033 -9.0033 -8.0786 -8.0786 -6.5452 -6.5452 -6.3859 -6.3859 -5.7522 -5.7522 -5.5469 -5.5469 -5.4389 -5.4389 1.8435 1.8435 6.0617 6.0617 6.9478 6.9478 6.9706 6.9706 7.3444 7.3444 7.3714 7.3714 8.5342 8.5342 13.1229 13.1229 18.5189 18.5189 19.3759 19.3759 k = 0.1552 0.0452 0.0276 ( 3033 PWs) bands (ev): -40.1967 -40.1967 -12.4381 -12.4381 -12.1480 -12.1480 -12.0539 -12.0539 -9.0135 -9.0135 -8.0668 -8.0668 -6.5452 -6.5452 -6.3860 -6.3860 -5.7522 -5.7522 -5.5471 -5.5471 -5.4389 -5.4389 1.8253 1.8253 6.1328 6.1328 6.9562 6.9562 6.9784 6.9784 7.3358 7.3358 7.3635 7.3635 8.4512 8.4512 13.1584 13.1584 18.5069 18.5069 19.3741 19.3741 k = 0.1379 0.0402 0.0245 ( 3033 PWs) bands (ev): -40.1967 -40.1967 -12.4375 -12.4375 -12.1480 -12.1480 -12.0539 -12.0539 -9.0229 -9.0229 -8.0560 -8.0560 -6.5453 -6.5453 -6.3861 -6.3861 -5.7522 -5.7522 -5.5472 -5.5472 -5.4389 -5.4389 1.8087 1.8087 6.2024 6.2024 6.9644 6.9644 6.9859 6.9859 7.3275 7.3275 7.3559 7.3559 8.3709 8.3709 13.1908 13.1908 18.4961 18.4961 19.3724 19.3724 k = 0.1207 0.0352 0.0215 ( 3039 PWs) bands (ev): -40.1967 -40.1967 -12.4371 -12.4371 -12.1479 -12.1479 -12.0539 -12.0539 -9.0312 -9.0312 -8.0464 -8.0464 -6.5453 -6.5453 -6.3862 -6.3862 -5.7522 -5.7522 -5.5473 -5.5473 -5.4390 -5.4390 1.7937 1.7937 6.2696 6.2696 6.9722 6.9722 6.9930 6.9930 7.3197 7.3197 7.3486 7.3486 8.2942 8.2942 13.2198 13.2198 18.4868 18.4868 19.3708 19.3708 k = 0.1034 0.0302 0.0184 ( 3045 PWs) bands (ev): -40.1967 -40.1967 -12.4367 -12.4367 -12.1479 -12.1479 -12.0539 -12.0539 -9.0385 -9.0385 -8.0379 -8.0379 -6.5453 -6.5453 -6.3862 -6.3862 -5.7523 -5.7523 -5.5474 -5.5474 -5.4390 -5.4390 1.7805 1.7805 6.3332 6.3332 6.9794 6.9794 6.9996 6.9996 7.3123 7.3123 7.3419 7.3419 8.2222 8.2222 13.2453 13.2453 18.4788 18.4788 19.3694 19.3694 k = 0.0862 0.0251 0.0153 ( 3045 PWs) bands (ev): -40.1967 -40.1967 -12.4363 -12.4363 -12.1478 -12.1478 -12.0539 -12.0539 -9.0448 -9.0448 -8.0306 -8.0306 -6.5453 -6.5453 -6.3863 -6.3863 -5.7523 -5.7523 -5.5475 -5.5475 -5.4390 -5.4390 1.7691 1.7691 6.3918 6.3918 6.9859 6.9859 7.0056 7.0056 7.3058 7.3058 7.3359 7.3359 8.1566 8.1566 13.2671 13.2671 18.4721 18.4721 19.3682 19.3682 k = 0.0690 0.0201 0.0123 ( 3054 PWs) bands (ev): -40.1967 -40.1967 -12.4361 -12.4361 -12.1478 -12.1478 -12.0540 -12.0540 -9.0499 -9.0499 -8.0246 -8.0246 -6.5453 -6.5453 -6.3864 -6.3864 -5.7523 -5.7523 -5.5476 -5.5476 -5.4390 -5.4390 1.7597 1.7597 6.4437 6.4437 6.9915 6.9915 7.0107 7.0107 7.3001 7.3001 7.3307 7.3307 8.0989 8.0989 13.2851 13.2851 18.4667 18.4667 19.3672 19.3672 k = 0.0517 0.0151 0.0092 ( 3054 PWs) bands (ev): -40.1967 -40.1967 -12.4358 -12.4358 -12.1478 -12.1478 -12.0539 -12.0539 -9.0540 -9.0540 -8.0199 -8.0199 -6.5453 -6.5453 -6.3864 -6.3864 -5.7523 -5.7523 -5.5477 -5.5477 -5.4390 -5.4390 1.7523 1.7523 6.4871 6.4871 6.9961 6.9961 7.0149 7.0149 7.2956 7.2956 7.3264 7.3264 8.0510 8.0510 13.2992 13.2992 18.4626 18.4626 19.3664 19.3664 k = 0.0345 0.0101 0.0061 ( 3060 PWs) bands (ev): -40.1967 -40.1967 -12.4357 -12.4357 -12.1478 -12.1478 -12.0540 -12.0540 -9.0569 -9.0569 -8.0166 -8.0166 -6.5453 -6.5453 -6.3865 -6.3865 -5.7523 -5.7523 -5.5477 -5.5477 -5.4391 -5.4391 1.7470 1.7470 6.5199 6.5199 6.9995 6.9995 7.0180 7.0180 7.2922 7.2922 7.3233 7.3233 8.0148 8.0148 13.3093 13.3093 18.4596 18.4596 19.3658 19.3658 k = 0.0172 0.0050 0.0031 ( 3063 PWs) bands (ev): -40.1967 -40.1967 -12.4356 -12.4356 -12.1478 -12.1478 -12.0540 -12.0540 -9.0586 -9.0586 -8.0145 -8.0145 -6.5453 -6.5453 -6.3865 -6.3865 -5.7523 -5.7523 -5.5477 -5.5477 -5.4391 -5.4391 1.7438 1.7438 6.5405 6.5405 7.0015 7.0015 7.0199 7.0199 7.2901 7.2901 7.3213 7.3213 7.9923 7.9923 13.3153 13.3153 18.4579 18.4579 19.3655 19.3655 k = 0.0000 0.0000 0.0000 ( 3057 PWs) bands (ev): -40.1967 -40.1967 -12.4355 -12.4355 -12.1477 -12.1477 -12.0539 -12.0539 -9.0592 -9.0592 -8.0139 -8.0139 -6.5453 -6.5453 -6.3865 -6.3865 -5.7523 -5.7523 -5.5477 -5.5477 -5.4391 -5.4391 1.7427 1.7427 6.5475 6.5475 7.0023 7.0023 7.0205 7.0205 7.2894 7.2894 7.3207 7.3207 7.9847 7.9847 13.3174 13.3174 18.4573 18.4573 19.3654 19.3654 k = 0.0000 0.0000 0.0000 ( 3057 PWs) bands (ev): -40.1967 -40.1967 -12.4355 -12.4355 -12.1477 -12.1477 -12.0539 -12.0539 -9.0592 -9.0592 -8.0139 -8.0139 -6.5453 -6.5453 -6.3865 -6.3865 -5.7523 -5.7523 -5.5477 -5.5477 -5.4391 -5.4391 1.7427 1.7427 6.5475 6.5475 7.0023 7.0023 7.0205 7.0205 7.2894 7.2894 7.3207 7.3207 7.9847 7.9847 13.3174 13.3174 18.4573 18.4573 19.3654 19.3654 k = 0.0051-0.0080-0.0156 ( 3061 PWs) bands (ev): -40.1967 -40.1967 -12.4355 -12.4355 -12.1479 -12.1479 -12.0541 -12.0541 -9.0584 -9.0584 -8.0142 -8.0142 -6.5452 -6.5452 -6.3863 -6.3863 -5.7522 -5.7522 -5.5476 -5.5476 -5.4390 -5.4390 1.7437 1.7437 6.5442 6.5442 7.0029 7.0029 7.0211 7.0211 7.2846 7.2846 7.3167 7.3167 7.9928 7.9928 13.3195 13.3195 18.4585 18.4585 19.3575 19.3575 k = 0.0102-0.0161-0.0312 ( 3063 PWs) bands (ev): -40.1967 -40.1967 -12.4352 -12.4352 -12.1484 -12.1484 -12.0547 -12.0547 -9.0562 -9.0562 -8.0153 -8.0153 -6.5447 -6.5447 -6.3858 -6.3858 -5.7517 -5.7517 -5.5472 -5.5472 -5.4388 -5.4388 1.7465 1.7465 6.5344 6.5344 7.0040 7.0040 7.0236 7.0236 7.2659 7.2659 7.3101 7.3101 8.0162 8.0162 13.3261 13.3261 18.4623 18.4623 19.3337 19.3337 k = 0.0154-0.0241-0.0468 ( 3065 PWs) bands (ev): -40.1966 -40.1966 -12.4347 -12.4347 -12.1492 -12.1492 -12.0556 -12.0556 -9.0525 -9.0525 -8.0170 -8.0170 -6.5438 -6.5438 -6.3849 -6.3849 -5.7509 -5.7509 -5.5465 -5.5465 -5.4385 -5.4385 1.7512 1.7512 6.5186 6.5186 7.0041 7.0041 7.0289 7.0289 7.2313 7.2313 7.3058 7.3058 8.0520 8.0520 13.3369 13.3369 18.4684 18.4684 19.2932 19.2932 k = 0.0205-0.0321-0.0625 ( 3057 PWs) bands (ev): -40.1966 -40.1966 -12.4340 -12.4340 -12.1503 -12.1503 -12.0569 -12.0569 -9.0474 -9.0474 -8.0194 -8.0194 -6.5427 -6.5427 -6.3837 -6.3837 -5.7498 -5.7498 -5.5456 -5.5456 -5.4381 -5.4381 1.7579 1.7579 6.4976 6.4976 7.0023 7.0023 7.0370 7.0370 7.1854 7.1854 7.3027 7.3027 8.0968 8.0968 13.3520 13.3520 18.4767 18.4767 19.2353 19.2353 k = 0.0256-0.0402-0.0781 ( 3062 PWs) bands (ev): -40.1965 -40.1965 -12.4332 -12.4332 -12.1517 -12.1517 -12.0585 -12.0585 -9.0408 -9.0408 -8.0226 -8.0226 -6.5413 -6.5413 -6.3822 -6.3822 -5.7484 -5.7484 -5.5445 -5.5445 -5.4376 -5.4376 1.7664 1.7664 6.4719 6.4719 6.9987 6.9987 7.0467 7.0467 7.1325 7.1325 7.2999 7.2999 8.1481 8.1481 13.3712 13.3712 18.4867 18.4867 19.1597 19.1597 k = 0.0307-0.0482-0.0937 ( 3062 PWs) bands (ev): -40.1964 -40.1964 -12.4322 -12.4322 -12.1535 -12.1535 -12.0603 -12.0603 -9.0327 -9.0327 -8.0263 -8.0263 -6.5395 -6.5395 -6.3803 -6.3803 -5.7466 -5.7466 -5.5431 -5.5431 -5.4369 -5.4369 1.7768 1.7768 6.4423 6.4423 6.9920 6.9920 7.0542 7.0542 7.0794 7.0794 7.2970 7.2970 8.2037 8.2037 13.3946 13.3946 18.4976 18.4976 19.0671 19.0671 k = 0.0358-0.0562-0.1093 ( 3064 PWs) bands (ev): -40.1963 -40.1963 -12.4311 -12.4311 -12.1557 -12.1557 -12.0625 -12.0625 -9.0233 -9.0233 -8.0307 -8.0307 -6.5376 -6.5376 -6.3781 -6.3781 -5.7447 -5.7447 -5.5414 -5.5414 -5.4360 -5.4360 1.7890 1.7890 6.4094 6.4094 6.9746 6.9746 7.0218 7.0218 7.0723 7.0723 7.2940 7.2940 8.2621 8.2621 13.4220 13.4220 18.5072 18.5072 18.9603 18.9603 k = 0.0410-0.0643-0.1249 ( 3062 PWs) bands (ev): -40.1961 -40.1961 -12.4297 -12.4297 -12.1582 -12.1582 -12.0648 -12.0648 -9.0126 -9.0126 -8.0357 -8.0357 -6.5353 -6.5353 -6.3755 -6.3755 -5.7424 -5.7424 -5.5396 -5.5396 -5.4350 -5.4350 1.8032 1.8032 6.3738 6.3738 6.9270 6.9270 6.9988 6.9988 7.0824 7.0824 7.2908 7.2908 8.3222 8.3222 13.4533 13.4533 18.5100 18.5100 18.8469 18.8469 k = 0.0461-0.0723-0.1405 ( 3064 PWs) bands (ev): -40.1959 -40.1959 -12.4283 -12.4283 -12.1611 -12.1611 -12.0673 -12.0673 -9.0005 -9.0005 -8.0413 -8.0413 -6.5329 -6.5329 -6.3726 -6.3726 -5.7398 -5.7398 -5.5375 -5.5375 -5.4338 -5.4338 1.8192 1.8192 6.3358 6.3358 6.8633 6.8633 6.9885 6.9885 7.0923 7.0923 7.2876 7.2876 8.3835 8.3835 13.4884 13.4884 18.4878 18.4878 18.7467 18.7467 k = 0.0512-0.0803-0.1562 ( 3066 PWs) bands (ev): -40.1958 -40.1958 -12.4267 -12.4267 -12.1644 -12.1644 -12.0699 -12.0699 -8.9872 -8.9872 -8.0474 -8.0474 -6.5303 -6.5303 -6.3694 -6.3694 -5.7371 -5.7371 -5.5353 -5.5353 -5.4324 -5.4324 1.8371 1.8371 6.2959 6.2959 6.7957 6.7957 6.9799 6.9799 7.1009 7.1009 7.2845 7.2845 8.4452 8.4452 13.5271 13.5271 18.4079 18.4079 18.6952 18.6952 k = 0.0563-0.0884-0.1718 ( 3064 PWs) bands (ev): -40.1956 -40.1956 -12.4250 -12.4250 -12.1681 -12.1681 -12.0726 -12.0726 -8.9727 -8.9727 -8.0540 -8.0540 -6.5276 -6.5276 -6.3658 -6.3658 -5.7340 -5.7340 -5.5329 -5.5329 -5.4307 -5.4307 1.8569 1.8569 6.2545 6.2545 6.7266 6.7266 6.9713 6.9713 7.1079 7.1079 7.2817 7.2817 8.5071 8.5071 13.5692 13.5692 18.2733 18.2733 18.6913 18.6913 k = 0.0614-0.0964-0.1874 ( 3064 PWs) bands (ev): -40.1953 -40.1953 -12.4231 -12.4231 -12.1721 -12.1721 -12.0753 -12.0753 -8.9570 -8.9570 -8.0611 -8.0611 -6.5247 -6.5247 -6.3620 -6.3620 -5.7308 -5.7308 -5.5304 -5.5304 -5.4288 -5.4288 1.8785 1.8785 6.2117 6.2117 6.6567 6.6567 6.9621 6.9621 7.1128 7.1128 7.2794 7.2794 8.5689 8.5689 13.6147 13.6147 18.1123 18.1123 18.7086 18.7086 k = 0.0666-0.1044-0.2030 ( 3076 PWs) bands (ev): -40.1951 -40.1951 -12.4212 -12.4212 -12.1767 -12.1767 -12.0782 -12.0782 -8.9402 -8.9402 -8.0687 -8.0687 -6.5217 -6.5217 -6.3578 -6.3578 -5.7273 -5.7273 -5.5278 -5.5278 -5.4267 -5.4267 1.9020 1.9020 6.1679 6.1679 6.5866 6.5866 6.9520 6.9520 7.1152 7.1152 7.2777 7.2777 8.6303 8.6303 13.6633 13.6633 17.9385 17.9385 18.7352 18.7352 k = 0.0717-0.1125-0.2186 ( 3076 PWs) bands (ev): -40.1949 -40.1949 -12.4192 -12.4192 -12.1815 -12.1815 -12.0809 -12.0809 -8.9223 -8.9223 -8.0766 -8.0766 -6.5187 -6.5187 -6.3533 -6.3533 -5.7237 -5.7237 -5.5251 -5.5251 -5.4242 -5.4242 1.9273 1.9273 6.1232 6.1232 6.5165 6.5165 6.9412 6.9412 7.1151 7.1151 7.2768 7.2768 8.6912 8.6912 13.7149 13.7149 17.7574 17.7574 18.7662 18.7662 k = 0.0768-0.1205-0.2342 ( 3066 PWs) bands (ev): -40.1946 -40.1946 -12.4171 -12.4171 -12.1865 -12.1865 -12.0836 -12.0836 -8.9035 -8.9035 -8.0850 -8.0850 -6.5156 -6.5156 -6.3486 -6.3486 -5.7198 -5.7198 -5.5224 -5.5224 -5.4214 -5.4214 1.9544 1.9544 6.0780 6.0780 6.4468 6.4468 6.9294 6.9294 7.1123 7.1123 7.2767 7.2767 8.7515 8.7515 13.7692 13.7692 17.5716 17.5716 18.7900 18.7900 k = 0.0819-0.1285-0.2498 ( 3072 PWs) bands (ev): -40.1943 -40.1943 -12.4151 -12.4151 -12.1920 -12.1920 -12.0864 -12.0864 -8.8837 -8.8837 -8.0936 -8.0936 -6.5125 -6.5125 -6.3436 -6.3436 -5.7158 -5.7158 -5.5197 -5.5197 -5.4183 -5.4183 1.9834 1.9834 6.0323 6.0323 6.3776 6.3776 6.9167 6.9167 7.1068 7.1068 7.2772 7.2772 8.8111 8.8111 13.8260 13.8260 17.3829 17.3829 18.7038 18.7038 k = 0.0870-0.1366-0.2655 ( 3070 PWs) bands (ev): -40.1941 -40.1941 -12.4130 -12.4130 -12.1977 -12.1977 -12.0890 -12.0890 -8.8631 -8.8631 -8.1025 -8.1025 -6.5094 -6.5094 -6.3384 -6.3384 -5.7116 -5.7116 -5.5170 -5.5170 -5.4148 -5.4148 2.0141 2.0141 5.9864 5.9864 6.3092 6.3092 6.9030 6.9030 7.0987 7.0987 7.2782 7.2782 8.8699 8.8699 13.8852 13.8852 17.1925 17.1925 18.5752 18.5752 k = 0.0922-0.1446-0.2811 ( 3068 PWs) bands (ev): -40.1938 -40.1938 -12.4110 -12.4110 -12.2035 -12.2035 -12.0916 -12.0916 -8.8417 -8.8417 -8.1117 -8.1117 -6.5063 -6.5063 -6.3329 -6.3329 -5.7072 -5.7072 -5.5144 -5.5144 -5.4110 -5.4110 2.0466 2.0466 5.9404 5.9404 6.2417 6.2417 6.8882 6.8882 7.0882 7.0882 7.2795 7.2795 8.9280 8.9280 13.9464 13.9464 17.0014 17.0014 18.4412 18.4412 k = 0.0973-0.1526-0.2967 ( 3072 PWs) bands (ev): -40.1935 -40.1935 -12.4090 -12.4090 -12.2095 -12.2095 -12.0942 -12.0942 -8.8197 -8.8197 -8.1211 -8.1211 -6.5032 -6.5032 -6.3274 -6.3274 -5.7027 -5.7027 -5.5118 -5.5118 -5.4068 -5.4068 2.0809 2.0809 5.8945 5.8945 6.1751 6.1751 6.8724 6.8724 7.0756 7.0756 7.2808 7.2808 8.9851 8.9851 14.0095 14.0095 16.8104 16.8104 18.3043 18.3043 k = 0.1024-0.1607-0.3123 ( 3074 PWs) bands (ev): -40.1931 -40.1931 -12.4071 -12.4071 -12.2155 -12.2155 -12.0967 -12.0967 -8.7969 -8.7969 -8.1306 -8.1306 -6.5001 -6.5001 -6.3216 -6.3216 -5.6981 -5.6981 -5.5093 -5.5093 -5.4022 -5.4022 2.1170 2.1170 5.8489 5.8489 6.1097 6.1097 6.8554 6.8554 7.0609 7.0609 7.2820 7.2820 9.0414 9.0414 14.0742 14.0742 16.6201 16.6201 18.1655 18.1655 k = 0.1075-0.1687-0.3279 ( 3078 PWs) bands (ev): -40.1928 -40.1928 -12.4054 -12.4054 -12.2216 -12.2216 -12.0992 -12.0992 -8.7737 -8.7737 -8.1402 -8.1402 -6.4970 -6.4970 -6.3158 -6.3158 -5.6934 -5.6934 -5.5069 -5.5069 -5.3973 -5.3973 2.1547 2.1547 5.8037 5.8037 6.0457 6.0457 6.8372 6.8372 7.0443 7.0443 7.2829 7.2829 9.0968 9.0968 14.1401 14.1401 16.4310 16.4310 18.0255 18.0255 k = 0.1126-0.1767-0.3435 ( 3078 PWs) bands (ev): -40.1925 -40.1925 -12.4038 -12.4038 -12.2275 -12.2275 -12.1017 -12.1017 -8.7499 -8.7499 -8.1499 -8.1499 -6.4940 -6.4940 -6.3098 -6.3098 -5.6885 -5.6885 -5.5046 -5.5046 -5.3921 -5.3921 2.1942 2.1942 5.7591 5.7591 5.9830 5.9830 6.8179 6.8179 7.0260 7.0260 7.2834 7.2834 9.1513 9.1513 14.2070 14.2070 16.2437 16.2437 17.8851 17.8851 k = 0.1178-0.1848-0.3592 ( 3078 PWs) bands (ev): -40.1921 -40.1921 -12.4025 -12.4025 -12.2333 -12.2333 -12.1041 -12.1041 -8.7257 -8.7257 -8.1597 -8.1597 -6.4910 -6.4910 -6.3039 -6.3039 -5.6835 -5.6835 -5.5023 -5.5023 -5.3866 -5.3866 2.2353 2.2353 5.7151 5.7151 5.9219 5.9219 6.7975 6.7975 7.0060 7.0060 7.2834 7.2834 9.2049 9.2049 14.2743 14.2743 16.0587 16.0587 17.7447 17.7447 k = 0.1229-0.1928-0.3748 ( 3080 PWs) bands (ev): -40.1918 -40.1918 -12.4014 -12.4014 -12.2389 -12.2389 -12.1065 -12.1065 -8.7013 -8.7013 -8.1694 -8.1694 -6.4880 -6.4880 -6.2979 -6.2979 -5.6785 -5.6785 -5.5002 -5.5002 -5.3809 -5.3809 2.2780 2.2780 5.6720 5.6720 5.8623 5.8623 6.7757 6.7757 6.9844 6.9844 7.2827 7.2827 9.2577 9.2577 14.3418 14.3418 15.8765 15.8765 17.6050 17.6050 k = 0.1280-0.2009-0.3904 ( 3078 PWs) bands (ev): -40.1914 -40.1914 -12.4006 -12.4006 -12.2441 -12.2441 -12.1089 -12.1089 -8.6765 -8.6765 -8.1790 -8.1790 -6.4851 -6.4851 -6.2919 -6.2919 -5.6734 -5.6734 -5.4981 -5.4981 -5.3749 -5.3749 2.3223 2.3223 5.6298 5.6298 5.8046 5.8046 6.7528 6.7528 6.9613 6.9613 7.2815 7.2815 9.3096 9.3096 14.4086 14.4086 15.6977 15.6977 17.4665 17.4665 k = 0.1331-0.2089-0.4060 ( 3074 PWs) bands (ev): -40.1911 -40.1911 -12.4001 -12.4001 -12.2490 -12.2490 -12.1114 -12.1114 -8.6517 -8.6517 -8.1886 -8.1886 -6.4821 -6.4821 -6.2860 -6.2860 -5.6682 -5.6682 -5.4960 -5.4960 -5.3688 -5.3688 2.3682 2.3682 5.5886 5.5886 5.7486 5.7486 6.7286 6.7286 6.9367 6.9367 7.2795 7.2795 9.3607 9.3607 14.4738 14.4738 15.5230 15.5230 17.3298 17.3298 k = 0.1382-0.2169-0.4216 ( 3082 PWs) bands (ev): -40.1907 -40.1907 -12.4000 -12.4000 -12.2535 -12.2535 -12.1139 -12.1139 -8.6267 -8.6267 -8.1980 -8.1980 -6.4792 -6.4792 -6.2802 -6.2802 -5.6629 -5.6629 -5.4940 -5.4940 -5.3625 -5.3625 2.4155 2.4155 5.5486 5.5486 5.6946 5.6946 6.7031 6.7031 6.9105 6.9105 7.2768 7.2768 9.4111 9.4111 14.5358 14.5358 15.3540 15.3540 17.1953 17.1953 k = 0.1434-0.2250-0.4372 ( 3080 PWs) bands (ev): -40.1903 -40.1903 -12.4003 -12.4003 -12.2574 -12.2574 -12.1164 -12.1164 -8.6017 -8.6017 -8.2073 -8.2073 -6.4762 -6.4762 -6.2745 -6.2745 -5.6577 -5.6577 -5.4920 -5.4920 -5.3561 -5.3561 2.4644 2.4644 5.5099 5.5099 5.6426 5.6426 6.6764 6.6764 6.8830 6.8830 7.2733 7.2733 9.4607 9.4607 14.5913 14.5913 15.1933 15.1933 17.0638 17.0638 k = 0.1485-0.2330-0.4528 ( 3086 PWs) bands (ev): -40.1900 -40.1900 -12.4011 -12.4011 -12.2608 -12.2608 -12.1189 -12.1189 -8.5769 -8.5769 -8.2164 -8.2164 -6.4733 -6.4733 -6.2689 -6.2689 -5.6524 -5.6524 -5.4901 -5.4901 -5.3497 -5.3497 2.5146 2.5146 5.4724 5.4724 5.5927 5.5927 6.6485 6.6485 6.8540 6.8540 7.2691 7.2691 9.5097 9.5097 14.6319 14.6319 15.0491 15.0491 16.9360 16.9360 k = 0.1536-0.2410-0.4685 ( 3084 PWs) bands (ev): -40.1896 -40.1896 -12.4023 -12.4023 -12.2637 -12.2637 -12.1215 -12.1215 -8.5522 -8.5522 -8.2252 -8.2252 -6.4703 -6.4703 -6.2635 -6.2635 -5.6471 -5.6471 -5.4881 -5.4881 -5.3433 -5.3433 2.5661 2.5661 5.4365 5.4365 5.5449 5.5449 6.6194 6.6194 6.8236 6.8236 7.2642 7.2642 9.5580 9.5580 14.6336 14.6336 14.9443 14.9443 16.8128 16.8128 k = 0.1587-0.2491-0.4841 ( 3086 PWs) bands (ev): -40.1893 -40.1893 -12.4038 -12.4038 -12.2660 -12.2660 -12.1241 -12.1241 -8.5277 -8.5277 -8.2338 -8.2338 -6.4672 -6.4672 -6.2582 -6.2582 -5.6418 -5.6418 -5.4861 -5.4861 -5.3370 -5.3370 2.6189 2.6189 5.4021 5.4021 5.4993 5.4993 6.5892 6.5892 6.7918 6.7918 7.2585 7.2585 9.6057 9.6057 14.5637 14.5637 14.9109 14.9109 16.6952 16.6952 k = 0.1638-0.2571-0.4997 ( 3086 PWs) bands (ev): -40.1889 -40.1889 -12.4058 -12.4058 -12.2678 -12.2678 -12.1268 -12.1268 -8.5036 -8.5036 -8.2420 -8.2420 -6.4641 -6.4641 -6.2531 -6.2531 -5.6365 -5.6365 -5.4840 -5.4840 -5.3308 -5.3308 2.6729 2.6729 5.3692 5.3692 5.4561 5.4561 6.5578 6.5578 6.7586 6.7586 7.2520 7.2520 9.6529 9.6529 14.4428 14.4428 14.9270 14.9270 16.5846 16.5846 k = 0.1690-0.2651-0.5153 ( 3084 PWs) bands (ev): -40.1885 -40.1885 -12.4080 -12.4080 -12.2691 -12.2691 -12.1295 -12.1295 -8.4799 -8.4799 -8.2499 -8.2499 -6.4610 -6.4610 -6.2482 -6.2482 -5.6313 -5.6313 -5.4819 -5.4819 -5.3247 -5.3247 2.7280 2.7280 5.3380 5.3380 5.4151 5.4151 6.5255 6.5255 6.7241 6.7241 7.2448 7.2448 9.6996 9.6996 14.3052 14.3052 14.9564 14.9564 16.4827 16.4827 k = 0.1741-0.2732-0.5309 ( 3086 PWs) bands (ev): -40.1882 -40.1882 -12.4106 -12.4106 -12.2699 -12.2699 -12.1323 -12.1323 -8.4567 -8.4567 -8.2575 -8.2575 -6.4578 -6.4578 -6.2436 -6.2436 -5.6261 -5.6261 -5.4797 -5.4797 -5.3188 -5.3188 2.7842 2.7842 5.3085 5.3085 5.3766 5.3766 6.4922 6.4922 6.6883 6.6883 7.2369 7.2369 9.7459 9.7459 14.1640 14.1640 14.9838 14.9838 16.3918 16.3918 k = 0.1792-0.2812-0.5465 ( 3088 PWs) bands (ev): -40.1878 -40.1878 -12.4133 -12.4133 -12.2703 -12.2703 -12.1351 -12.1351 -8.4341 -8.4341 -8.2647 -8.2647 -6.4545 -6.4545 -6.2392 -6.2392 -5.6210 -5.6210 -5.4774 -5.4774 -5.3131 -5.3131 2.8412 2.8412 5.2808 5.2808 5.3405 5.3405 6.4581 6.4581 6.6512 6.6512 7.2282 7.2282 9.7918 9.7918 14.0237 14.0237 15.0024 15.0024 16.3143 16.3143 k = 0.1843-0.2892-0.5622 ( 3092 PWs) bands (ev): -40.1875 -40.1875 -12.4162 -12.4162 -12.2704 -12.2704 -12.1380 -12.1380 -8.4121 -8.4121 -8.2714 -8.2714 -6.4511 -6.4511 -6.2350 -6.2350 -5.6160 -5.6160 -5.4751 -5.4751 -5.3077 -5.3077 2.8990 2.8990 5.2547 5.2547 5.3068 5.3068 6.4233 6.4233 6.6129 6.6129 7.2187 7.2187 9.8375 9.8375 13.8858 13.8858 15.0079 15.0079 16.2526 16.2526 k = 0.1894-0.2973-0.5778 ( 3094 PWs) bands (ev): -40.1872 -40.1872 -12.4191 -12.4191 -12.2702 -12.2702 -12.1409 -12.1409 -8.3908 -8.3908 -8.2777 -8.2777 -6.4476 -6.4476 -6.2310 -6.2310 -5.6111 -5.6111 -5.4726 -5.4726 -5.3026 -5.3026 2.9576 2.9576 5.2303 5.2303 5.2757 5.2757 6.3881 6.3881 6.5733 6.5733 7.2086 7.2086 9.8828 9.8828 13.7513 13.7513 14.9973 14.9973 16.2089 16.2089 k = 0.1946-0.3053-0.5934 ( 3102 PWs) bands (ev): -40.1868 -40.1868 -12.4221 -12.4221 -12.2699 -12.2699 -12.1439 -12.1439 -8.3703 -8.3703 -8.2835 -8.2835 -6.4439 -6.4439 -6.2273 -6.2273 -5.6063 -5.6063 -5.4700 -5.4700 -5.2979 -5.2979 3.0167 3.0167 5.2075 5.2075 5.2473 5.2473 6.3526 6.3526 6.5326 6.5326 7.1977 7.1977 9.9280 9.9280 13.6206 13.6206 14.9695 14.9695 16.1837 16.1837 k = 0.1997-0.3133-0.6090 ( 3100 PWs) bands (ev): -40.1865 -40.1865 -12.4249 -12.4249 -12.2693 -12.2693 -12.1469 -12.1469 -8.3506 -8.3506 -8.2888 -8.2888 -6.4402 -6.4402 -6.2239 -6.2239 -5.6016 -5.6016 -5.4674 -5.4674 -5.2935 -5.2935 3.0763 3.0763 5.1861 5.1861 5.2216 5.2216 6.3169 6.3169 6.4907 6.4907 7.1862 7.1862 9.9731 9.9731 13.4939 13.4939 14.9248 14.9248 16.1763 16.1763 k = 0.2048-0.3214-0.6246 ( 3100 PWs) bands (ev): -40.1862 -40.1862 -12.4277 -12.4277 -12.2686 -12.2686 -12.1500 -12.1500 -8.3319 -8.3319 -8.2936 -8.2936 -6.4363 -6.4363 -6.2207 -6.2207 -5.5970 -5.5970 -5.4646 -5.4646 -5.2894 -5.2894 3.1362 3.1362 5.1658 5.1658 5.1988 5.1988 6.2815 6.2815 6.4478 6.4478 7.1740 7.1740 10.0181 10.0181 13.3714 13.3714 14.8653 14.8653 16.1844 16.1844 k = 0.2099-0.3294-0.6402 ( 3098 PWs) bands (ev): -40.1859 -40.1859 -12.4303 -12.4303 -12.2678 -12.2678 -12.1531 -12.1531 -8.3143 -8.3143 -8.2978 -8.2978 -6.4323 -6.4323 -6.2177 -6.2177 -5.5926 -5.5926 -5.4616 -5.4616 -5.2858 -5.2858 3.1962 3.1962 5.1463 5.1463 5.1793 5.1793 6.2465 6.2465 6.4039 6.4039 7.1612 7.1612 10.0631 10.0631 13.2533 13.2533 14.7936 14.7936 16.2049 16.2049 k = 0.2150-0.3374-0.6558 ( 3096 PWs) bands (ev): -40.1856 -40.1856 -12.4327 -12.4327 -12.2670 -12.2670 -12.1561 -12.1561 -8.3028 -8.3028 -8.2963 -8.2963 -6.4282 -6.4282 -6.2151 -6.2151 -5.5884 -5.5884 -5.4586 -5.4586 -5.2827 -5.2827 3.2563 3.2563 5.1274 5.1274 5.1628 5.1628 6.2124 6.2124 6.3590 6.3590 7.1478 7.1478 10.1080 10.1080 13.1397 13.1397 14.7126 14.7126 16.2347 16.2347 k = 0.2202-0.3455-0.6715 ( 3098 PWs) bands (ev): -40.1853 -40.1853 -12.4349 -12.4349 -12.2663 -12.2663 -12.1592 -12.1592 -8.3053 -8.3053 -8.2813 -8.2813 -6.4239 -6.4239 -6.2127 -6.2127 -5.5843 -5.5843 -5.4554 -5.4554 -5.2800 -5.2800 3.3163 3.3163 5.1091 5.1091 5.1494 5.1494 6.1795 6.1795 6.3133 6.3133 7.1337 7.1337 10.1530 10.1530 13.0306 13.0306 14.6248 14.6248 16.2712 16.2712 k = 0.2253-0.3535-0.6871 ( 3100 PWs) bands (ev): -40.1850 -40.1850 -12.4369 -12.4369 -12.2656 -12.2656 -12.1623 -12.1623 -8.3079 -8.3079 -8.2668 -8.2668 -6.4195 -6.4195 -6.2105 -6.2105 -5.5804 -5.5804 -5.4520 -5.4520 -5.2778 -5.2778 3.3759 3.3759 5.0912 5.0912 5.1388 5.1388 6.1483 6.1483 6.2668 6.2668 7.1191 7.1191 10.1980 10.1980 12.9262 12.9262 14.5320 14.5320 16.3121 16.3121 k = 0.2304-0.3615-0.7027 ( 3104 PWs) bands (ev): -40.1848 -40.1848 -12.4385 -12.4385 -12.2651 -12.2651 -12.1654 -12.1654 -8.3100 -8.3100 -8.2534 -8.2534 -6.4149 -6.4149 -6.2086 -6.2086 -5.5767 -5.5767 -5.4485 -5.4485 -5.2760 -5.2760 3.4351 3.4351 5.0738 5.0738 5.1307 5.1307 6.1191 6.1191 6.2196 6.2196 7.1039 7.1039 10.2431 10.2431 12.8264 12.8264 14.4360 14.4360 16.3557 16.3557 k = 0.2355-0.3696-0.7183 ( 3102 PWs) bands (ev): -40.1845 -40.1845 -12.4399 -12.4399 -12.2646 -12.2646 -12.1684 -12.1684 -8.3115 -8.3115 -8.2412 -8.2412 -6.4102 -6.4102 -6.2070 -6.2070 -5.5732 -5.5732 -5.4449 -5.4449 -5.2748 -5.2748 3.4937 3.4937 5.0567 5.0567 5.1250 5.1250 6.0925 6.0925 6.1718 6.1718 7.0882 7.0882 10.2882 10.2882 12.7316 12.7316 14.3377 14.3377 16.4005 16.4005 k = 0.2407-0.3776-0.7339 ( 3102 PWs) bands (ev): -40.1843 -40.1843 -12.4409 -12.4409 -12.2643 -12.2643 -12.1714 -12.1714 -8.3124 -8.3124 -8.2302 -8.2302 -6.4054 -6.4054 -6.2057 -6.2057 -5.5698 -5.5698 -5.4411 -5.4411 -5.2740 -5.2740 3.5514 3.5514 5.0396 5.0396 5.1215 5.1215 6.0690 6.0690 6.1236 6.1236 7.0720 7.0720 10.3331 10.3331 12.6417 12.6417 14.2381 14.2381 16.4456 16.4456 k = 0.2458-0.3856-0.7495 ( 3104 PWs) bands (ev): -40.1841 -40.1841 -12.4417 -12.4417 -12.2642 -12.2642 -12.1742 -12.1742 -8.3128 -8.3128 -8.2204 -8.2204 -6.4005 -6.4005 -6.2046 -6.2046 -5.5667 -5.5667 -5.4372 -5.4372 -5.2738 -5.2738 3.6082 3.6082 5.0222 5.0222 5.1200 5.1200 6.0491 6.0491 6.0750 6.0750 7.0554 7.0554 10.3780 10.3780 12.5570 12.5570 14.1378 14.1378 16.4901 16.4901 k = 0.2509-0.3937-0.7652 ( 3106 PWs) bands (ev): -40.1839 -40.1839 -12.4422 -12.4422 -12.2643 -12.2643 -12.1770 -12.1770 -8.3125 -8.3125 -8.2118 -8.2118 -6.3955 -6.3955 -6.2038 -6.2038 -5.5637 -5.5637 -5.4331 -5.4331 -5.2740 -5.2740 3.6637 3.6637 5.0045 5.0045 5.1205 5.1205 6.0258 6.0258 6.0337 6.0337 7.0384 7.0384 10.4224 10.4224 12.4777 12.4777 14.0373 14.0373 16.5333 16.5333 k = 0.2560-0.4017-0.7808 ( 3100 PWs) bands (ev): -40.1836 -40.1836 -12.4423 -12.4423 -12.2646 -12.2646 -12.1796 -12.1796 -8.3117 -8.3117 -8.2045 -8.2045 -6.3904 -6.3904 -6.2032 -6.2032 -5.5610 -5.5610 -5.4288 -5.4288 -5.2748 -5.2748 3.7177 3.7177 4.9862 4.9862 5.1227 5.1227 5.9774 5.9774 6.0219 6.0219 7.0210 7.0210 10.4664 10.4664 12.4040 12.4040 13.9369 13.9369 16.5748 16.5748 k = 0.2611-0.4097-0.7964 ( 3104 PWs) bands (ev): -40.1835 -40.1835 -12.4422 -12.4422 -12.2652 -12.2652 -12.1821 -12.1821 -8.3102 -8.3102 -8.1985 -8.1985 -6.3853 -6.3853 -6.2029 -6.2029 -5.5585 -5.5585 -5.4244 -5.4244 -5.2760 -5.2760 3.7700 3.7700 4.9671 4.9671 5.1263 5.1263 5.9290 5.9290 6.0151 6.0151 7.0032 7.0032 10.5095 10.5095 12.3363 12.3363 13.8369 13.8369 16.6142 16.6142 k = 0.2663-0.4178-0.8120 ( 3104 PWs) bands (ev): -40.1833 -40.1833 -12.4417 -12.4417 -12.2660 -12.2660 -12.1845 -12.1845 -8.3082 -8.3082 -8.1937 -8.1937 -6.3801 -6.3801 -6.2029 -6.2029 -5.5561 -5.5561 -5.4198 -5.4198 -5.2777 -5.2777 3.8203 3.8203 4.9476 4.9476 5.1313 5.1313 5.8812 5.8812 6.0132 6.0132 6.9852 6.9852 10.5513 10.5513 12.2750 12.2750 13.7375 13.7375 16.6511 16.6511 k = 0.2714-0.4258-0.8276 ( 3098 PWs) bands (ev): -40.1831 -40.1831 -12.4410 -12.4410 -12.2670 -12.2670 -12.1866 -12.1866 -8.3056 -8.3056 -8.1901 -8.1901 -6.3749 -6.3749 -6.2031 -6.2031 -5.5540 -5.5540 -5.4151 -5.4151 -5.2799 -5.2799 3.8681 3.8681 4.9277 4.9277 5.1371 5.1371 5.8344 5.8344 6.0162 6.0162 6.9670 6.9670 10.5915 10.5915 12.2206 12.2206 13.6390 13.6390 16.6853 16.6853 k = 0.2765-0.4338-0.8432 ( 3100 PWs) bands (ev): -40.1830 -40.1830 -12.4401 -12.4401 -12.2682 -12.2682 -12.1885 -12.1885 -8.3025 -8.3025 -8.1878 -8.1878 -6.3697 -6.3697 -6.2035 -6.2035 -5.5520 -5.5520 -5.4102 -5.4102 -5.2825 -5.2825 3.9131 3.9131 4.9080 4.9080 5.1434 5.1434 5.7889 5.7889 6.0242 6.0242 6.9485 6.9485 10.6292 10.6292 12.1738 12.1738 13.5413 13.5413 16.7167 16.7167 k = 0.2816-0.4419-0.8588 ( 3094 PWs) bands (ev): -40.1829 -40.1829 -12.4389 -12.4389 -12.2696 -12.2696 -12.1902 -12.1902 -8.2987 -8.2987 -8.1867 -8.1867 -6.3646 -6.3646 -6.2042 -6.2042 -5.5503 -5.5503 -5.4052 -5.4052 -5.2855 -5.2855 3.9547 3.9547 4.8891 4.8891 5.1495 5.1495 5.7456 5.7456 6.0368 6.0368 6.9300 6.9300 10.6640 10.6640 12.1353 12.1353 13.4447 13.4447 16.7451 16.7451 k = 0.2867-0.4499-0.8745 ( 3092 PWs) bands (ev): -40.1827 -40.1827 -12.4376 -12.4376 -12.2712 -12.2712 -12.1917 -12.1917 -8.2945 -8.2945 -8.1867 -8.1867 -6.3596 -6.3596 -6.2050 -6.2050 -5.5488 -5.5488 -5.4001 -5.4001 -5.2889 -5.2889 3.9921 3.9921 4.8719 4.8719 5.1546 5.1546 5.7052 5.7052 6.0538 6.0538 6.9114 6.9114 10.6949 10.6949 12.1059 12.1059 13.3493 13.3493 16.7704 16.7704 k = 0.2919-0.4579-0.8901 ( 3092 PWs) bands (ev): -40.1826 -40.1826 -12.4362 -12.4362 -12.2729 -12.2729 -12.1931 -12.1931 -8.2897 -8.2897 -8.1879 -8.1879 -6.3548 -6.3548 -6.2060 -6.2060 -5.5474 -5.5474 -5.3949 -5.3949 -5.2926 -5.2926 4.0246 4.0246 4.8575 4.8575 5.1577 5.1577 5.6687 5.6687 6.0748 6.0748 6.8928 6.8928 10.7212 10.7212 12.0864 12.0864 13.2551 13.2551 16.7927 16.7927 k = 0.2970-0.4660-0.9057 ( 3094 PWs) bands (ev): -40.1825 -40.1825 -12.4347 -12.4347 -12.2746 -12.2746 -12.1943 -12.1943 -8.2843 -8.2843 -8.1901 -8.1901 -6.3503 -6.3503 -6.2072 -6.2072 -5.5462 -5.5462 -5.3896 -5.3896 -5.2967 -5.2967 4.0513 4.0513 4.8471 4.8471 5.1575 5.1575 5.6375 5.6375 6.0995 6.0995 6.8743 6.8743 10.7421 10.7421 12.0776 12.0776 13.1623 13.1623 16.8119 16.8119 k = 0.3021-0.4740-0.9213 ( 3096 PWs) bands (ev): -40.1825 -40.1825 -12.4332 -12.4332 -12.2764 -12.2764 -12.1952 -12.1952 -8.2785 -8.2785 -8.1934 -8.1934 -6.3460 -6.3460 -6.2084 -6.2084 -5.5452 -5.5452 -5.3843 -5.3843 -5.3010 -5.3010 4.0712 4.0712 4.8419 4.8419 5.1525 5.1525 5.6130 5.6130 6.1273 6.1273 6.8559 6.8559 10.7569 10.7569 12.0800 12.0800 13.0709 13.0709 16.8281 16.8281 k = 0.3072-0.4820-0.9369 ( 3096 PWs) bands (ev): -40.1824 -40.1824 -12.4317 -12.4317 -12.2780 -12.2780 -12.1961 -12.1961 -8.2722 -8.2722 -8.1977 -8.1977 -6.3422 -6.3422 -6.2096 -6.2096 -5.5444 -5.5444 -5.3789 -5.3789 -5.3054 -5.3054 4.0837 4.0837 4.8429 4.8429 5.1417 5.1417 5.5962 5.5962 6.1578 6.1578 6.8378 6.8378 10.7653 10.7653 12.0938 12.0938 12.9812 12.9812 16.8413 16.8413 k = 0.3123-0.4901-0.9525 ( 3106 PWs) bands (ev): -40.1824 -40.1824 -12.4304 -12.4304 -12.2796 -12.2796 -12.1968 -12.1968 -8.2654 -8.2654 -8.2030 -8.2030 -6.3388 -6.3388 -6.2107 -6.2107 -5.5437 -5.5437 -5.3737 -5.3737 -5.3099 -5.3099 4.0884 4.0884 4.8508 4.8508 5.1243 5.1243 5.5880 5.5880 6.1906 6.1906 6.8200 6.8200 10.7673 10.7673 12.1189 12.1189 12.8934 12.8934 16.8516 16.8516 k = 0.3175-0.4981-0.9682 ( 3104 PWs) bands (ev): -40.1823 -40.1823 -12.4292 -12.4292 -12.2809 -12.2809 -12.1972 -12.1972 -8.2582 -8.2582 -8.2091 -8.2091 -6.3360 -6.3360 -6.2118 -6.2118 -5.5432 -5.5432 -5.3688 -5.3688 -5.3143 -5.3143 4.0854 4.0854 4.8659 4.8659 5.1005 5.1005 5.5881 5.5881 6.2252 6.2252 6.8027 6.8027 10.7630 10.7630 12.1545 12.1545 12.8081 12.8081 16.8591 16.8591 k = 0.3226-0.5061-0.9838 ( 3106 PWs) bands (ev): -40.1823 -40.1823 -12.4282 -12.4282 -12.2819 -12.2819 -12.1976 -12.1976 -8.2505 -8.2505 -8.2161 -8.2161 -6.3338 -6.3338 -6.2125 -6.2125 -5.5428 -5.5428 -5.3643 -5.3643 -5.3183 -5.3183 4.0752 4.0752 4.8876 4.8876 5.0713 5.0713 5.5957 5.5957 6.2611 6.2611 6.7858 6.7858 10.7531 10.7531 12.1991 12.1991 12.7262 12.7262 16.8640 16.8640 k = 0.3277-0.5142-0.9994 ( 3106 PWs) bands (ev): -40.1823 -40.1823 -12.4276 -12.4276 -12.2826 -12.2826 -12.1978 -12.1978 -8.2425 -8.2425 -8.2239 -8.2239 -6.3325 -6.3325 -6.2130 -6.2130 -5.5426 -5.5426 -5.3607 -5.3607 -5.3216 -5.3216 4.0586 4.0586 4.9147 4.9147 5.0386 5.0386 5.6096 5.6096 6.2981 6.2981 6.7697 6.7697 10.7382 10.7382 12.2496 12.2496 12.6501 12.6501 16.8663 16.8663 k = 0.3328-0.5222-1.0150 ( 3108 PWs) bands (ev): -40.1823 -40.1823 -12.4273 -12.4273 -12.2828 -12.2828 -12.1979 -12.1979 -8.2343 -8.2343 -8.2323 -8.2323 -6.3320 -6.3320 -6.2131 -6.2131 -5.5425 -5.5425 -5.3585 -5.3585 -5.3234 -5.3234 4.0368 4.0368 4.9426 4.9426 5.0072 5.0072 5.6285 5.6285 6.3357 6.3357 6.7544 6.7544 10.7189 10.7189 12.2981 12.2981 12.5871 12.5871 16.8662 16.8662 k = 0.3379-0.5302-1.0306 ( 3104 PWs) bands (ev): -40.1823 -40.1823 -12.4274 -12.4274 -12.2826 -12.2826 -12.1978 -12.1978 -8.2416 -8.2416 -8.2254 -8.2254 -6.3324 -6.3324 -6.2127 -6.2127 -5.5427 -5.5427 -5.3583 -5.3583 -5.3233 -5.3233 4.0106 4.0106 4.9422 4.9422 5.0063 5.0063 5.6514 5.6514 6.3737 6.3737 6.7401 6.7401 10.6962 10.6962 12.3232 12.3232 12.5577 12.5577 16.8639 16.8639 k = 0.3431-0.5383-1.0462 ( 3106 PWs) bands (ev): -40.1823 -40.1823 -12.4280 -12.4280 -12.2819 -12.2819 -12.1976 -12.1976 -8.2513 -8.2513 -8.2164 -8.2164 -6.3337 -6.3337 -6.2119 -6.2119 -5.5430 -5.5430 -5.3601 -5.3601 -5.3212 -5.3212 3.9812 3.9812 4.9073 4.9073 5.0424 5.0424 5.6771 5.6771 6.4116 6.4116 6.7269 6.7269 10.6707 10.6707 12.2999 12.2999 12.5862 12.5862 16.8595 16.8595 k = 0.6569-0.3925-0.9573 ( 3106 PWs) bands (ev): -40.1823 -40.1823 -12.4280 -12.4280 -12.2819 -12.2819 -12.1976 -12.1976 -8.2513 -8.2513 -8.2164 -8.2164 -6.3337 -6.3337 -6.2119 -6.2119 -5.5430 -5.5430 -5.3601 -5.3601 -5.3212 -5.3212 3.9812 3.9812 4.9073 4.9073 5.0424 5.0424 5.6771 5.6771 6.4116 6.4116 6.7269 6.7269 10.6707 10.6707 12.2999 12.2999 12.5862 12.5862 16.8595 16.8595 k = 0.6519-0.3751-0.9573 ( 3104 PWs) bands (ev): -40.1823 -40.1823 -12.4290 -12.4290 -12.2808 -12.2808 -12.1972 -12.1972 -8.2614 -8.2614 -8.2072 -8.2072 -6.3360 -6.3360 -6.2105 -6.2105 -5.5434 -5.5434 -5.3634 -5.3634 -5.3176 -5.3176 3.9497 3.9497 4.8664 4.8664 5.0866 5.0866 5.7047 5.7047 6.4488 6.4488 6.7152 6.7152 10.6432 10.6432 12.2440 12.2440 12.6559 12.6559 16.8531 16.8531 k = 0.6468-0.3578-0.9573 ( 3106 PWs) bands (ev): -40.1824 -40.1824 -12.4304 -12.4304 -12.2793 -12.2793 -12.1967 -12.1967 -8.2720 -8.2720 -8.1978 -8.1978 -6.3391 -6.3391 -6.2088 -6.2088 -5.5441 -5.5441 -5.3674 -5.3674 -5.3131 -5.3131 3.9165 3.9165 4.8239 4.8239 5.1346 5.1346 5.7336 5.7336 6.4856 6.4856 6.7050 6.7050 10.6141 10.6141 12.1765 12.1765 12.7453 12.7453 16.8450 16.8450 k = 0.6418-0.3404-0.9573 ( 3106 PWs) bands (ev): -40.1824 -40.1824 -12.4323 -12.4323 -12.2774 -12.2774 -12.1959 -12.1959 -8.2830 -8.2830 -8.1881 -8.1881 -6.3431 -6.3431 -6.2066 -6.2066 -5.5450 -5.5450 -5.3719 -5.3719 -5.3082 -5.3082 3.8822 3.8822 4.7809 4.7809 5.1851 5.1851 5.7632 5.7632 6.5216 6.5216 6.6966 6.6966 10.5837 10.5837 12.1052 12.1052 12.8461 12.8461 16.8352 16.8352 k = 0.6367-0.3230-0.9573 ( 3110 PWs) bands (ev): -40.1824 -40.1824 -12.4346 -12.4346 -12.2752 -12.2752 -12.1949 -12.1949 -8.2943 -8.2943 -8.1784 -8.1784 -6.3478 -6.3478 -6.2042 -6.2042 -5.5461 -5.5461 -5.3764 -5.3764 -5.3029 -5.3029 3.8472 3.8472 4.7378 4.7378 5.2375 5.2375 5.7931 5.7931 6.5568 6.5568 6.6903 6.6903 10.5525 10.5525 12.0329 12.0329 12.9550 12.9550 16.8239 16.8239 k = 0.6316-0.3057-0.9573 ( 3106 PWs) bands (ev): -40.1825 -40.1825 -12.4371 -12.4371 -12.2727 -12.2727 -12.1937 -12.1937 -8.3058 -8.3058 -8.1684 -8.1684 -6.3531 -6.3531 -6.2014 -6.2014 -5.5475 -5.5475 -5.3809 -5.3809 -5.2976 -5.2976 3.8119 3.8119 4.6950 4.6950 5.2914 5.2914 5.8226 5.8226 6.5910 6.5910 6.6862 6.6862 10.5206 10.5206 11.9608 11.9608 13.0705 13.0705 16.8113 16.8113 k = 0.6266-0.2883-0.9573 ( 3100 PWs) bands (ev): -40.1825 -40.1825 -12.4400 -12.4400 -12.2701 -12.2701 -12.1922 -12.1922 -8.3175 -8.3175 -8.1584 -8.1584 -6.3590 -6.3590 -6.1985 -6.1985 -5.5491 -5.5491 -5.3853 -5.3853 -5.2922 -5.2922 3.7767 3.7767 4.6527 4.6527 5.3465 5.3465 5.8513 5.8513 6.6239 6.6239 6.6848 6.6848 10.4883 10.4883 11.8894 11.8894 13.1918 13.1918 16.7975 16.7975 k = 0.6215-0.2709-0.9573 ( 3102 PWs) bands (ev): -40.1826 -40.1826 -12.4432 -12.4432 -12.2674 -12.2674 -12.1904 -12.1904 -8.3294 -8.3294 -8.1484 -8.1484 -6.3654 -6.3654 -6.1954 -6.1954 -5.5509 -5.5509 -5.3894 -5.3894 -5.2868 -5.2868 3.7417 3.7417 4.6111 4.6111 5.4024 5.4024 5.8787 5.8787 6.6555 6.6555 6.6863 6.6863 10.4558 10.4558 11.8191 11.8191 13.3183 13.3183 16.7827 16.7827 k = 0.6164-0.2536-0.9573 ( 3100 PWs) bands (ev): -40.1827 -40.1827 -12.4465 -12.4465 -12.2647 -12.2647 -12.1883 -12.1883 -8.3413 -8.3413 -8.1383 -8.1383 -6.3722 -6.3722 -6.1923 -6.1923 -5.5531 -5.5531 -5.3931 -5.3931 -5.2815 -5.2815 3.7072 3.7072 4.5704 4.5704 5.4588 5.4588 5.9043 5.9043 6.6841 6.6841 6.6926 6.6926 10.4234 10.4234 11.7500 11.7500 13.4494 13.4494 16.7669 16.7669 k = 0.6114-0.2362-0.9573 ( 3100 PWs) bands (ev): -40.1827 -40.1827 -12.4500 -12.4500 -12.2621 -12.2621 -12.1859 -12.1859 -8.3533 -8.3533 -8.1282 -8.1282 -6.3793 -6.3793 -6.1891 -6.1891 -5.5555 -5.5555 -5.3966 -5.3966 -5.2763 -5.2763 3.6735 3.6735 4.5307 4.5307 5.5156 5.5156 5.9278 5.9278 6.6971 6.6971 6.7164 6.7164 10.3910 10.3910 11.6822 11.6822 13.5848 13.5848 16.7504 16.7504 k = 0.6063-0.2189-0.9573 ( 3100 PWs) bands (ev): -40.1828 -40.1828 -12.4536 -12.4536 -12.2597 -12.2597 -12.1832 -12.1832 -8.3651 -8.3651 -8.1183 -8.1183 -6.3866 -6.3866 -6.1860 -6.1860 -5.5582 -5.5582 -5.3996 -5.3996 -5.2712 -5.2712 3.6405 3.6405 4.4921 4.4921 5.5724 5.5724 5.9489 5.9489 6.7085 6.7085 6.7437 6.7437 10.3589 10.3589 11.6160 11.6160 13.7242 13.7242 16.7333 16.7333 k = 0.6013-0.2015-0.9573 ( 3096 PWs) bands (ev): -40.1829 -40.1829 -12.4573 -12.4573 -12.2575 -12.2575 -12.1801 -12.1801 -8.3769 -8.3769 -8.1084 -8.1084 -6.3940 -6.3940 -6.1829 -6.1829 -5.5611 -5.5611 -5.4023 -5.4023 -5.2663 -5.2663 3.6086 3.6086 4.4547 4.4547 5.6289 5.6289 5.9674 5.9674 6.7231 6.7231 6.7698 6.7698 10.3272 10.3272 11.5513 11.5513 13.8672 13.8672 16.7158 16.7158 k = 0.5962-0.1841-0.9573 ( 3098 PWs) bands (ev): -40.1829 -40.1829 -12.4610 -12.4610 -12.2554 -12.2554 -12.1768 -12.1768 -8.3885 -8.3885 -8.0986 -8.0986 -6.4016 -6.4016 -6.1799 -6.1799 -5.5642 -5.5642 -5.4045 -5.4045 -5.2615 -5.2615 3.5777 3.5777 4.4186 4.4186 5.6850 5.6850 5.9832 5.9832 6.7408 6.7408 6.7944 6.7944 10.2960 10.2960 11.4884 11.4884 14.0135 14.0135 16.6979 16.6979 k = 0.5911-0.1668-0.9573 ( 3092 PWs) bands (ev): -40.1830 -40.1830 -12.4647 -12.4647 -12.2536 -12.2536 -12.1732 -12.1732 -8.3999 -8.3999 -8.0891 -8.0891 -6.4091 -6.4091 -6.1769 -6.1769 -5.5675 -5.5675 -5.4064 -5.4064 -5.2569 -5.2569 3.5480 3.5480 4.3839 4.3839 5.7404 5.7404 5.9965 5.9965 6.7617 6.7617 6.8176 6.8176 10.2654 10.2654 11.4274 11.4274 14.1629 14.1629 16.6799 16.6799 k = 0.5861-0.1494-0.9573 ( 3092 PWs) bands (ev): -40.1831 -40.1831 -12.4683 -12.4683 -12.2521 -12.2521 -12.1694 -12.1694 -8.4110 -8.4110 -8.0797 -8.0797 -6.4166 -6.4166 -6.1741 -6.1741 -5.5710 -5.5710 -5.4080 -5.4080 -5.2525 -5.2525 3.5196 3.5196 4.3507 4.3507 5.7946 5.7946 6.0074 6.0074 6.7851 6.7851 6.8393 6.8393 10.2354 10.2354 11.3682 11.3682 14.3150 14.3150 16.6620 16.6620 k = 0.5810-0.1320-0.9573 ( 3092 PWs) bands (ev): -40.1832 -40.1832 -12.4719 -12.4719 -12.2507 -12.2507 -12.1654 -12.1654 -8.4217 -8.4217 -8.0707 -8.0707 -6.4241 -6.4241 -6.1715 -6.1715 -5.5746 -5.5746 -5.4092 -5.4092 -5.2482 -5.2482 3.4925 3.4925 4.3191 4.3191 5.8474 5.8474 6.0164 6.0164 6.8109 6.8109 6.8595 6.8595 10.2062 10.2062 11.3112 11.3112 14.4695 14.4695 16.6443 16.6443 k = 0.5759-0.1147-0.9573 ( 3096 PWs) bands (ev): -40.1832 -40.1832 -12.4754 -12.4754 -12.2496 -12.2496 -12.1614 -12.1614 -8.4321 -8.4321 -8.0619 -8.0619 -6.4313 -6.4313 -6.1689 -6.1689 -5.5782 -5.5782 -5.4101 -5.4101 -5.2442 -5.2442 3.4668 3.4668 4.2890 4.2890 5.8979 5.8979 6.0240 6.0240 6.8383 6.8383 6.8783 6.8783 10.1780 10.1780 11.2563 11.2563 14.6261 14.6261 16.6269 16.6269 k = 0.5709-0.0973-0.9573 ( 3096 PWs) bands (ev): -40.1833 -40.1833 -12.4788 -12.4788 -12.2486 -12.2486 -12.1574 -12.1574 -8.4420 -8.4420 -8.0535 -8.0535 -6.4384 -6.4384 -6.1666 -6.1666 -5.5819 -5.5819 -5.4107 -5.4107 -5.2404 -5.2404 3.4425 3.4425 4.2606 4.2606 5.9449 5.9449 6.0320 6.0320 6.8669 6.8669 6.8958 6.8958 10.1507 10.1507 11.2038 11.2038 14.7846 14.7846 16.6101 16.6101 k = 0.5658-0.0799-0.9573 ( 3100 PWs) bands (ev): -40.1834 -40.1834 -12.4820 -12.4820 -12.2478 -12.2478 -12.1534 -12.1534 -8.4515 -8.4515 -8.0454 -8.0454 -6.4452 -6.4452 -6.1644 -6.1644 -5.5855 -5.5855 -5.4111 -5.4111 -5.2368 -5.2368 3.4198 3.4198 4.2339 4.2339 5.9838 5.9838 6.0445 6.0445 6.8955 6.8955 6.9125 6.9125 10.1245 10.1245 11.1538 11.1538 14.9445 14.9445 16.5941 16.5941 k = 0.5608-0.0626-0.9573 ( 3100 PWs) bands (ev): -40.1835 -40.1835 -12.4851 -12.4851 -12.2472 -12.2472 -12.1494 -12.1494 -8.4605 -8.4605 -8.0378 -8.0378 -6.4517 -6.4517 -6.1623 -6.1623 -5.5891 -5.5891 -5.4113 -5.4113 -5.2335 -5.2335 3.3986 3.3986 4.2089 4.2089 6.0064 6.0064 6.0701 6.0701 6.9200 6.9200 6.9320 6.9320 10.0996 10.0996 11.1065 11.1065 15.1055 15.1055 16.5791 16.5791 k = 0.5557-0.0452-0.9573 ( 3108 PWs) bands (ev): -40.1835 -40.1835 -12.4880 -12.4880 -12.2467 -12.2467 -12.1456 -12.1456 -8.4689 -8.4689 -8.0307 -8.0307 -6.4578 -6.4578 -6.1605 -6.1605 -5.5925 -5.5925 -5.4114 -5.4114 -5.2304 -5.2304 3.3789 3.3789 4.1858 4.1858 6.0149 6.0149 6.1065 6.1065 6.9357 6.9357 6.9588 6.9588 10.0760 10.0760 11.0620 11.0620 15.2672 15.2672 16.5655 16.5655 k = 0.5506-0.0279-0.9573 ( 3106 PWs) bands (ev): -40.1836 -40.1836 -12.4907 -12.4907 -12.2462 -12.2462 -12.1420 -12.1420 -8.4766 -8.4766 -8.0240 -8.0240 -6.4636 -6.4636 -6.1588 -6.1588 -5.5958 -5.5958 -5.4113 -5.4113 -5.2276 -5.2276 3.3609 3.3609 4.1646 4.1646 6.0179 6.0179 6.1450 6.1450 6.9479 6.9479 6.9869 6.9869 10.0539 10.0539 11.0206 11.0206 15.4289 15.4289 16.5535 16.5535 k = 0.5456-0.0105-0.9573 ( 3104 PWs) bands (ev): -40.1836 -40.1836 -12.4931 -12.4931 -12.2458 -12.2458 -12.1385 -12.1385 -8.4838 -8.4838 -8.0179 -8.0179 -6.4689 -6.4689 -6.1572 -6.1572 -5.5988 -5.5988 -5.4111 -5.4111 -5.2250 -5.2250 3.3446 3.3446 4.1453 4.1453 6.0187 6.0187 6.1823 6.1823 6.9583 6.9583 7.0142 7.0142 10.0335 10.0335 10.9823 10.9823 15.5900 15.5900 16.5438 16.5438 k = 0.5405 0.0069-0.9573 ( 3102 PWs) bands (ev): -40.1837 -40.1837 -12.4954 -12.4954 -12.2455 -12.2455 -12.1354 -12.1354 -8.4903 -8.4903 -8.0123 -8.0123 -6.4738 -6.4738 -6.1559 -6.1559 -5.6017 -5.6017 -5.4109 -5.4109 -5.2227 -5.2227 3.3299 3.3299 4.1279 4.1279 6.0185 6.0185 6.2170 6.2170 6.9673 6.9673 7.0400 7.0400 10.0147 10.0147 10.9474 10.9474 15.7494 15.7494 16.5373 16.5373 k = 0.5354 0.0242-0.9573 ( 3098 PWs) bands (ev): -40.1837 -40.1837 -12.4973 -12.4973 -12.2453 -12.2453 -12.1324 -12.1324 -8.4961 -8.4961 -8.0073 -8.0073 -6.4782 -6.4782 -6.1547 -6.1547 -5.6042 -5.6042 -5.4106 -5.4106 -5.2206 -5.2206 3.3169 3.3169 4.1125 4.1125 6.0177 6.0177 6.2487 6.2487 6.9750 6.9750 7.0639 7.0639 9.9978 9.9978 10.9161 10.9161 15.9049 15.9049 16.5357 16.5357 k = 0.5304 0.0416-0.9573 ( 3100 PWs) bands (ev): -40.1838 -40.1838 -12.4991 -12.4991 -12.2451 -12.2451 -12.1299 -12.1299 -8.5012 -8.5012 -8.0029 -8.0029 -6.4820 -6.4820 -6.1537 -6.1537 -5.6065 -5.6065 -5.4104 -5.4104 -5.2188 -5.2188 3.3055 3.3055 4.0990 4.0990 6.0167 6.0167 6.2768 6.2768 6.9815 6.9815 7.0853 7.0853 9.9829 9.9829 10.8885 10.8885 16.0526 16.0526 16.5429 16.5429 k = 0.5253 0.0590-0.9573 ( 3100 PWs) bands (ev): -40.1838 -40.1838 -12.5006 -12.5006 -12.2450 -12.2450 -12.1277 -12.1277 -8.5055 -8.5055 -7.9992 -7.9992 -6.4853 -6.4853 -6.1528 -6.1528 -5.6085 -5.6085 -5.4101 -5.4101 -5.2173 -5.2173 3.2959 3.2959 4.0876 4.0876 6.0156 6.0156 6.3012 6.3012 6.9869 6.9869 7.1040 7.1040 9.9700 9.9700 10.8649 10.8649 16.1839 16.1839 16.5670 16.5670 k = 0.5203 0.0763-0.9573 ( 3098 PWs) bands (ev): -40.1838 -40.1838 -12.5019 -12.5019 -12.2449 -12.2449 -12.1259 -12.1259 -8.5091 -8.5091 -7.9961 -7.9961 -6.4880 -6.4880 -6.1521 -6.1521 -5.6101 -5.6101 -5.4098 -5.4098 -5.2160 -5.2160 3.2881 3.2881 4.0783 4.0783 6.0146 6.0146 6.3214 6.3214 6.9912 6.9912 7.1197 7.1197 9.9594 9.9594 10.8453 10.8453 16.2834 16.2834 16.6228 16.6228 k = 0.5152 0.0937-0.9573 ( 3098 PWs) bands (ev): -40.1839 -40.1839 -12.5028 -12.5028 -12.2448 -12.2448 -12.1244 -12.1244 -8.5119 -8.5119 -7.9937 -7.9937 -6.4902 -6.4902 -6.1516 -6.1516 -5.6114 -5.6114 -5.4096 -5.4096 -5.2150 -5.2150 3.2819 3.2819 4.0710 4.0710 6.0137 6.0137 6.3374 6.3374 6.9945 6.9945 7.1322 7.1322 9.9510 9.9510 10.8299 10.8299 16.3410 16.3410 16.7192 16.7192 k = 0.5101 0.1111-0.9573 ( 3102 PWs) bands (ev): -40.1839 -40.1839 -12.5035 -12.5035 -12.2448 -12.2448 -12.1234 -12.1234 -8.5139 -8.5139 -7.9919 -7.9919 -6.4917 -6.4917 -6.1512 -6.1512 -5.6123 -5.6123 -5.4095 -5.4095 -5.2143 -5.2143 3.2776 3.2776 4.0658 4.0658 6.0130 6.0130 6.3490 6.3490 6.9968 6.9968 7.1413 7.1413 9.9449 9.9449 10.8188 10.8188 16.3678 16.3678 16.8423 16.8423 k = 0.5051 0.1284-0.9573 ( 3104 PWs) bands (ev): -40.1839 -40.1839 -12.5040 -12.5040 -12.2447 -12.2447 -12.1228 -12.1228 -8.5151 -8.5151 -7.9909 -7.9909 -6.4926 -6.4926 -6.1509 -6.1509 -5.6129 -5.6129 -5.4094 -5.4094 -5.2139 -5.2139 3.2749 3.2749 4.0626 4.0626 6.0126 6.0126 6.3559 6.3559 6.9981 6.9981 7.1467 7.1467 9.9413 9.9413 10.8122 10.8122 16.3791 16.3791 16.9670 16.9670 k = 0.5000 0.1458-0.9573 ( 3096 PWs) bands (ev): -40.1839 -40.1839 -12.5041 -12.5041 -12.2447 -12.2447 -12.1225 -12.1225 -8.5155 -8.5155 -7.9905 -7.9905 -6.4930 -6.4930 -6.1509 -6.1509 -5.6130 -5.6130 -5.4094 -5.4094 -5.2138 -5.2138 3.2741 3.2741 4.0616 4.0616 6.0125 6.0125 6.3583 6.3583 6.9986 6.9986 7.1486 7.1486 9.9401 9.9401 10.8099 10.8099 16.3821 16.3821 17.0363 17.0363 k = 0.5000 0.1458-0.9573 ( 3096 PWs) bands (ev): -40.1839 -40.1839 -12.5041 -12.5041 -12.2447 -12.2447 -12.1225 -12.1225 -8.5155 -8.5155 -7.9905 -7.9905 -6.4930 -6.4930 -6.1509 -6.1509 -5.6130 -5.6130 -5.4094 -5.4094 -5.2138 -5.2138 3.2741 3.2741 4.0616 4.0616 6.0125 6.0125 6.3583 6.3583 6.9986 6.9986 7.1486 7.1486 9.9401 9.9401 10.8099 10.8099 16.3821 16.3821 17.0363 17.0363 k = 0.5143 0.1499-0.9492 ( 3104 PWs) bands (ev): -40.1839 -40.1839 -12.5041 -12.5041 -12.2448 -12.2448 -12.1226 -12.1226 -8.5153 -8.5153 -7.9908 -7.9908 -6.4929 -6.4929 -6.1509 -6.1509 -5.6131 -5.6131 -5.4094 -5.4094 -5.2138 -5.2138 3.2744 3.2744 4.0628 4.0628 6.0113 6.0113 6.3587 6.3587 6.9959 6.9959 7.1481 7.1481 9.9408 9.9408 10.8130 10.8130 16.3815 16.3815 17.0366 17.0366 k = 0.5285 0.1541-0.9411 ( 3104 PWs) bands (ev): -40.1839 -40.1839 -12.5040 -12.5040 -12.2448 -12.2448 -12.1226 -12.1226 -8.5147 -8.5147 -7.9915 -7.9915 -6.4929 -6.4929 -6.1509 -6.1509 -5.6131 -5.6131 -5.4094 -5.4094 -5.2139 -5.2139 3.2754 3.2754 4.0663 4.0663 6.0077 6.0077 6.3600 6.3600 6.9880 6.9880 7.1466 7.1466 9.9429 9.9429 10.8221 10.8221 16.3797 16.3797 17.0373 17.0373 k = 0.5428 0.1583-0.9330 ( 3104 PWs) bands (ev): -40.1839 -40.1839 -12.5040 -12.5040 -12.2448 -12.2448 -12.1226 -12.1226 -8.5136 -8.5136 -7.9927 -7.9927 -6.4929 -6.4929 -6.1510 -6.1510 -5.6131 -5.6131 -5.4095 -5.4095 -5.2141 -5.2141 3.2771 3.2771 4.0722 4.0722 6.0019 6.0019 6.3622 6.3622 6.9750 6.9750 7.1441 7.1441 9.9464 9.9464 10.8371 10.8371 16.3766 16.3766 17.0386 17.0386 k = 0.5571 0.1624-0.9249 ( 3102 PWs) bands (ev): -40.1839 -40.1839 -12.5039 -12.5039 -12.2449 -12.2449 -12.1226 -12.1226 -8.5121 -8.5121 -7.9945 -7.9945 -6.4929 -6.4929 -6.1511 -6.1511 -5.6132 -5.6132 -5.4096 -5.4096 -5.2144 -5.2144 3.2794 3.2794 4.0804 4.0804 5.9938 5.9938 6.3652 6.3652 6.9569 6.9569 7.1407 7.1407 9.9514 9.9514 10.8577 10.8577 16.3724 16.3724 17.0404 17.0404 k = 0.5713 0.1666-0.9169 ( 3101 PWs) bands (ev): -40.1839 -40.1839 -12.5038 -12.5038 -12.2450 -12.2450 -12.1226 -12.1226 -8.5103 -8.5103 -7.9967 -7.9967 -6.4928 -6.4928 -6.1513 -6.1513 -5.6133 -5.6133 -5.4097 -5.4097 -5.2147 -5.2147 3.2825 3.2825 4.0908 4.0908 5.9835 5.9835 6.3691 6.3691 6.9340 6.9340 7.1362 7.1362 9.9579 9.9579 10.8836 10.8836 16.3669 16.3669 17.0428 17.0428 k = 0.5856 0.1707-0.9088 ( 3100 PWs) bands (ev): -40.1839 -40.1839 -12.5037 -12.5037 -12.2451 -12.2451 -12.1226 -12.1226 -8.5080 -8.5080 -7.9993 -7.9993 -6.4928 -6.4928 -6.1515 -6.1515 -5.6133 -5.6133 -5.4099 -5.4099 -5.2152 -5.2152 3.2863 3.2863 4.1033 4.1033 5.9713 5.9713 6.3739 6.3739 6.9065 6.9065 7.1309 7.1309 9.9660 9.9660 10.9144 10.9144 16.3603 16.3603 17.0456 17.0456 k = 0.5999 0.1749-0.9007 ( 3097 PWs) bands (ev): -40.1839 -40.1839 -12.5035 -12.5035 -12.2453 -12.2453 -12.1226 -12.1226 -8.5054 -8.5054 -8.0025 -8.0025 -6.4927 -6.4927 -6.1517 -6.1517 -5.6135 -5.6135 -5.4101 -5.4101 -5.2156 -5.2156 3.2908 3.2908 4.1178 4.1178 5.9572 5.9572 6.3795 6.3795 6.8747 6.8747 7.1246 7.1246 9.9756 9.9756 10.9495 10.9495 16.3525 16.3525 17.0490 17.0490 k = 0.6141 0.1791-0.8926 ( 3094 PWs) bands (ev): -40.1839 -40.1839 -12.5034 -12.5034 -12.2454 -12.2454 -12.1226 -12.1226 -8.5023 -8.5023 -8.0061 -8.0061 -6.4927 -6.4927 -6.1519 -6.1519 -5.6136 -5.6136 -5.4103 -5.4103 -5.2162 -5.2162 3.2961 3.2961 4.1342 4.1342 5.9415 5.9415 6.3859 6.3859 6.8389 6.8389 7.1175 7.1175 9.9867 9.9867 10.9886 10.9886 16.3436 16.3436 17.0530 17.0530 k = 0.6284 0.1832-0.8845 ( 3096 PWs) bands (ev): -40.1839 -40.1839 -12.5032 -12.5032 -12.2456 -12.2456 -12.1226 -12.1226 -8.4989 -8.4989 -8.0101 -8.0101 -6.4926 -6.4926 -6.1522 -6.1522 -5.6137 -5.6137 -5.4105 -5.4105 -5.2168 -5.2168 3.3021 3.3021 4.1522 4.1522 5.9243 5.9243 6.3932 6.3932 6.7995 6.7995 7.1095 7.1095 9.9993 9.9993 11.0311 11.0311 16.3336 16.3336 17.0574 17.0574 k = 0.6427 0.1874-0.8764 ( 3090 PWs) bands (ev): -40.1840 -40.1840 -12.5029 -12.5029 -12.2457 -12.2457 -12.1226 -12.1226 -8.4952 -8.4952 -8.0146 -8.0146 -6.4925 -6.4925 -6.1525 -6.1525 -5.6139 -5.6139 -5.4108 -5.4108 -5.2174 -5.2174 3.3089 3.3089 4.1719 4.1719 5.9059 5.9059 6.4013 6.4013 6.7569 6.7569 7.1006 7.1006 10.0133 10.0133 11.0766 11.0766 16.3227 16.3227 17.0624 17.0624 k = 0.6569 0.1915-0.8683 ( 3092 PWs) bands (ev): -40.1840 -40.1840 -12.5027 -12.5027 -12.2460 -12.2460 -12.1226 -12.1226 -8.4912 -8.4912 -8.0195 -8.0195 -6.4924 -6.4924 -6.1529 -6.1529 -5.6140 -5.6140 -5.4111 -5.4111 -5.2181 -5.2181 3.3164 3.3164 4.1928 4.1928 5.8864 5.8864 6.4102 6.4102 6.7115 6.7115 7.0910 7.0910 10.0286 10.0286 11.1245 11.1245 16.3108 16.3108 17.0679 17.0679 k = 0.6569 0.1915-0.8683 ( 3092 PWs) bands (ev): -40.1840 -40.1840 -12.5027 -12.5027 -12.2460 -12.2460 -12.1226 -12.1226 -8.4912 -8.4912 -8.0195 -8.0195 -6.4924 -6.4924 -6.1529 -6.1529 -5.6140 -5.6140 -5.4111 -5.4111 -5.2181 -5.2181 3.3164 3.3164 4.1928 4.1928 5.8864 5.8864 6.4102 6.4102 6.7115 6.7115 7.0910 7.0910 10.0286 10.0286 11.1245 11.1245 16.3108 16.3108 17.0679 17.0679 k = 0.6540 0.1907-0.8503 ( 3092 PWs) bands (ev): -40.1841 -40.1841 -12.5011 -12.5011 -12.2466 -12.2466 -12.1226 -12.1226 -8.4926 -8.4926 -8.0205 -8.0205 -6.4923 -6.4923 -6.1545 -6.1545 -5.6147 -5.6147 -5.4120 -5.4120 -5.2211 -5.2211 3.2884 3.2884 4.2170 4.2170 5.9210 5.9210 6.4146 6.4146 6.6890 6.6890 7.0912 7.0912 9.9945 9.9945 11.1878 11.1878 16.2826 16.2826 17.0745 17.0745 k = 0.6510 0.1898-0.8322 ( 3090 PWs) bands (ev): -40.1841 -40.1841 -12.4992 -12.4992 -12.2473 -12.2473 -12.1226 -12.1226 -8.4938 -8.4938 -8.0225 -8.0225 -6.4922 -6.4922 -6.1564 -6.1564 -5.6155 -5.6155 -5.4132 -5.4132 -5.2246 -5.2246 3.2570 3.2570 4.2460 4.2460 5.9544 5.9544 6.4197 6.4197 6.6668 6.6668 7.0918 7.0918 9.9595 9.9595 11.2610 11.2610 16.2466 16.2466 17.0838 17.0838 k = 0.6481 0.1890-0.8142 ( 3089 PWs) bands (ev): -40.1843 -40.1843 -12.4968 -12.4968 -12.2481 -12.2481 -12.1225 -12.1225 -8.4949 -8.4949 -8.0256 -8.0256 -6.4921 -6.4921 -6.1586 -6.1586 -5.6165 -5.6165 -5.4145 -5.4145 -5.2286 -5.2286 3.2230 3.2230 4.2793 4.2793 5.9864 5.9864 6.4256 6.4256 6.6450 6.6450 7.0929 7.0929 9.9246 9.9246 11.3432 11.3432 16.2035 16.2035 17.0963 17.0963 k = 0.6451 0.1881-0.7961 ( 3085 PWs) bands (ev): -40.1844 -40.1844 -12.4941 -12.4941 -12.2491 -12.2491 -12.1224 -12.1224 -8.4958 -8.4958 -8.0297 -8.0297 -6.4919 -6.4919 -6.1612 -6.1612 -5.6176 -5.6176 -5.4161 -5.4161 -5.2331 -5.2331 3.1869 3.1869 4.3166 4.3166 6.0165 6.0165 6.4322 6.4322 6.6239 6.6239 7.0945 7.0945 9.8908 9.8908 11.4335 11.4335 16.1541 16.1541 17.1126 17.1126 k = 0.6421 0.1872-0.7780 ( 3089 PWs) bands (ev): -40.1845 -40.1845 -12.4910 -12.4910 -12.2503 -12.2503 -12.1224 -12.1224 -8.4967 -8.4967 -8.0347 -8.0347 -6.4916 -6.4916 -6.1641 -6.1641 -5.6189 -5.6189 -5.4179 -5.4179 -5.2381 -5.2381 3.1494 3.1494 4.3573 4.3573 6.0443 6.0443 6.4394 6.4394 6.6037 6.6037 7.0965 7.0965 9.8584 9.8584 11.5312 11.5312 16.0991 16.0991 17.1326 17.1326 k = 0.6392 0.1864-0.7600 ( 3091 PWs) bands (ev): -40.1847 -40.1847 -12.4876 -12.4876 -12.2516 -12.2516 -12.1222 -12.1222 -8.4975 -8.4975 -8.0405 -8.0405 -6.4914 -6.4914 -6.1674 -6.1674 -5.6203 -5.6203 -5.4199 -5.4199 -5.2436 -5.2436 3.1107 3.1107 4.4011 4.4011 6.0693 6.0693 6.4473 6.4473 6.5849 6.5849 7.0990 7.0990 9.8279 9.8279 11.6359 11.6359 16.0393 16.0393 17.1565 17.1565 k = 0.6362 0.1855-0.7419 ( 3093 PWs) bands (ev): -40.1849 -40.1849 -12.4839 -12.4839 -12.2529 -12.2529 -12.1221 -12.1221 -8.4983 -8.4983 -8.0471 -8.0471 -6.4911 -6.4911 -6.1710 -6.1710 -5.6218 -5.6218 -5.4221 -5.4221 -5.2494 -5.2494 3.0714 3.0714 4.4477 4.4477 6.0911 6.0911 6.4556 6.4556 6.5681 6.5681 7.1020 7.1020 9.7996 9.7996 11.7472 11.7472 15.9753 15.9753 17.1842 17.1842 k = 0.6333 0.1846-0.7238 ( 3098 PWs) bands (ev): -40.1851 -40.1851 -12.4798 -12.4798 -12.2545 -12.2545 -12.1219 -12.1219 -8.4991 -8.4991 -8.0545 -8.0545 -6.4908 -6.4908 -6.1749 -6.1749 -5.6235 -5.6235 -5.4245 -5.4245 -5.2557 -5.2557 3.0318 3.0318 4.4970 4.4970 6.1090 6.1090 6.4644 6.4644 6.5537 6.5537 7.1054 7.1054 9.7735 9.7735 11.8649 11.8649 15.9076 15.9076 17.2155 17.2155 k = 0.6303 0.1838-0.7058 ( 3093 PWs) bands (ev): -40.1853 -40.1853 -12.4755 -12.4755 -12.2560 -12.2560 -12.1216 -12.1216 -8.5001 -8.5001 -8.0625 -8.0625 -6.4905 -6.4905 -6.1791 -6.1791 -5.6253 -5.6253 -5.4271 -5.4271 -5.2624 -5.2624 2.9920 2.9920 4.5487 4.5487 6.1224 6.1224 6.4735 6.4735 6.5427 6.5427 7.1093 7.1093 9.7497 9.7497 11.9886 11.9886 15.8366 15.8366 17.2502 17.2502 k = 0.6273 0.1829-0.6877 ( 3097 PWs) bands (ev): -40.1856 -40.1856 -12.4709 -12.4709 -12.2576 -12.2576 -12.1213 -12.1213 -8.5012 -8.5012 -8.0710 -8.0710 -6.4903 -6.4903 -6.1837 -6.1837 -5.6272 -5.6272 -5.4298 -5.4298 -5.2693 -5.2693 2.9524 2.9524 4.6025 4.6025 6.1309 6.1309 6.4825 6.4825 6.5357 6.5357 7.1137 7.1137 9.7282 9.7282 12.1183 12.1183 15.7627 15.7627 17.2882 17.2882 k = 0.6244 0.1820-0.6697 ( 3095 PWs) bands (ev): -40.1858 -40.1858 -12.4661 -12.4661 -12.2592 -12.2592 -12.1209 -12.1209 -8.5024 -8.5024 -8.0801 -8.0801 -6.4900 -6.4900 -6.1886 -6.1886 -5.6292 -5.6292 -5.4326 -5.4326 -5.2766 -5.2766 2.9131 2.9131 4.6584 4.6584 6.1341 6.1341 6.4913 6.4913 6.5333 6.5333 7.1186 7.1186 9.7090 9.7090 12.2536 12.2536 15.6861 15.6861 17.3295 17.3295 k = 0.6214 0.1812-0.6516 ( 3101 PWs) bands (ev): -40.1861 -40.1861 -12.4611 -12.4611 -12.2609 -12.2609 -12.1206 -12.1206 -8.5039 -8.5039 -8.0896 -8.0896 -6.4898 -6.4898 -6.1937 -6.1937 -5.6314 -5.6314 -5.4356 -5.4356 -5.2841 -5.2841 2.8743 2.8743 4.7162 4.7162 6.1321 6.1321 6.4997 6.4997 6.5355 6.5355 7.1239 7.1239 9.6920 9.6920 12.3944 12.3944 15.6071 15.6071 17.3737 17.3737 k = 0.6184 0.1803-0.6335 ( 3095 PWs) bands (ev): -40.1864 -40.1864 -12.4560 -12.4560 -12.2625 -12.2625 -12.1200 -12.1200 -8.5057 -8.5057 -8.0994 -8.0994 -6.4896 -6.4896 -6.1992 -6.1992 -5.6337 -5.6337 -5.4386 -5.4386 -5.2918 -5.2918 2.8361 2.8361 4.7756 4.7756 6.1251 6.1251 6.5082 6.5082 6.5419 6.5419 7.1297 7.1297 9.6772 9.6772 12.5405 12.5405 15.5259 15.5259 17.4209 17.4209 k = 0.6155 0.1795-0.6155 ( 3091 PWs) bands (ev): -40.1866 -40.1866 -12.4507 -12.4507 -12.2641 -12.2641 -12.1195 -12.1195 -8.5078 -8.5078 -8.1095 -8.1095 -6.4895 -6.4895 -6.2049 -6.2049 -5.6361 -5.6361 -5.4418 -5.4418 -5.2997 -5.2997 2.7987 2.7987 4.8365 4.8365 6.1140 6.1140 6.5175 6.5175 6.5511 6.5511 7.1360 7.1360 9.6643 9.6643 12.6918 12.6918 15.4426 15.4426 17.4710 17.4710 k = 0.6125 0.1786-0.5974 ( 3089 PWs) bands (ev): -40.1869 -40.1869 -12.4455 -12.4455 -12.2655 -12.2655 -12.1189 -12.1189 -8.5104 -8.5104 -8.1198 -8.1198 -6.4894 -6.4894 -6.2109 -6.2109 -5.6387 -5.6387 -5.4450 -5.4450 -5.3076 -5.3076 2.7621 2.7621 4.8987 4.8987 6.0994 6.0994 6.5278 6.5278 6.5622 6.5622 7.1427 7.1427 9.6534 9.6534 12.8479 12.8479 15.3575 15.3575 17.5237 17.5237 k = 0.6096 0.1777-0.5794 ( 3087 PWs) bands (ev): -40.1873 -40.1873 -12.4403 -12.4403 -12.2667 -12.2667 -12.1182 -12.1182 -8.5133 -8.5133 -8.1301 -8.1301 -6.4894 -6.4894 -6.2171 -6.2171 -5.6414 -5.6414 -5.4483 -5.4483 -5.3157 -5.3157 2.7265 2.7265 4.9619 4.9619 6.0823 6.0823 6.5392 6.5392 6.5744 6.5744 7.1499 7.1499 9.6442 9.6442 13.0088 13.0088 15.2707 15.2707 17.5789 17.5789 k = 0.6066 0.1769-0.5613 ( 3091 PWs) bands (ev): -40.1876 -40.1876 -12.4352 -12.4352 -12.2678 -12.2678 -12.1174 -12.1174 -8.5168 -8.5168 -8.1405 -8.1405 -6.4895 -6.4895 -6.2235 -6.2235 -5.6442 -5.6442 -5.4517 -5.4517 -5.3237 -5.3237 2.6919 2.6919 5.0257 5.0257 6.0635 6.0635 6.5515 6.5515 6.5874 6.5874 7.1575 7.1575 9.6367 9.6367 13.1740 13.1740 15.1825 15.1825 17.6367 17.6367 k = 0.6036 0.1760-0.5432 ( 3087 PWs) bands (ev): -40.1879 -40.1879 -12.4303 -12.4303 -12.2685 -12.2685 -12.1166 -12.1166 -8.5208 -8.5208 -8.1508 -8.1508 -6.4897 -6.4897 -6.2301 -6.2301 -5.6471 -5.6471 -5.4551 -5.4551 -5.3318 -5.3318 2.6583 2.6583 5.0899 5.0899 6.0440 6.0440 6.5645 6.5645 6.6008 6.6008 7.1655 7.1655 9.6308 9.6308 13.3434 13.3434 15.0930 15.0930 17.6968 17.6968 k = 0.6007 0.1751-0.5252 ( 3090 PWs) bands (ev): -40.1882 -40.1882 -12.4257 -12.4257 -12.2688 -12.2688 -12.1157 -12.1157 -8.5253 -8.5253 -8.1610 -8.1610 -6.4900 -6.4900 -6.2368 -6.2368 -5.6502 -5.6502 -5.4585 -5.4585 -5.3397 -5.3397 2.6260 2.6260 5.1537 5.1537 6.0246 6.0246 6.5779 6.5779 6.6146 6.6146 7.1740 7.1740 9.6262 9.6262 13.5165 13.5165 15.0026 15.0026 17.7591 17.7591 k = 0.5977 0.1743-0.5071 ( 3087 PWs) bands (ev): -40.1886 -40.1886 -12.4214 -12.4214 -12.2687 -12.2687 -12.1147 -12.1147 -8.5305 -8.5305 -8.1710 -8.1710 -6.4904 -6.4904 -6.2437 -6.2437 -5.6534 -5.6534 -5.4620 -5.4620 -5.3475 -5.3475 2.5948 2.5948 5.2166 5.2166 6.0064 6.0064 6.5915 6.5915 6.6286 6.6286 7.1828 7.1828 9.6230 9.6230 13.6927 13.6927 14.9120 14.9120 17.8235 17.8235 k = 0.5948 0.1734-0.4890 ( 3089 PWs) bands (ev): -40.1889 -40.1889 -12.4176 -12.4176 -12.2680 -12.2680 -12.1136 -12.1136 -8.5362 -8.5362 -8.1807 -8.1807 -6.4910 -6.4910 -6.2506 -6.2506 -5.6567 -5.6567 -5.4654 -5.4654 -5.3552 -5.3552 2.5648 2.5648 5.2774 5.2774 5.9905 5.9905 6.6053 6.6053 6.6427 6.6427 7.1921 7.1921 9.6209 9.6209 13.8709 13.8709 14.8220 14.8220 17.8899 17.8899 k = 0.5918 0.1726-0.4710 ( 3079 PWs) bands (ev): -40.1893 -40.1893 -12.4142 -12.4142 -12.2668 -12.2668 -12.1125 -12.1125 -8.5426 -8.5426 -8.1901 -8.1901 -6.4916 -6.4916 -6.2576 -6.2576 -5.6602 -5.6602 -5.4689 -5.4689 -5.3626 -5.3626 2.5360 2.5360 5.3349 5.3349 5.9785 5.9785 6.6190 6.6190 6.6568 6.6568 7.2017 7.2017 9.6198 9.6198 14.0484 14.0484 14.7353 14.7353 17.9582 17.9582 k = 0.5888 0.1717-0.4529 ( 3079 PWs) bands (ev): -40.1896 -40.1896 -12.4114 -12.4114 -12.2649 -12.2649 -12.1113 -12.1113 -8.5496 -8.5496 -8.1992 -8.1992 -6.4925 -6.4925 -6.2646 -6.2646 -5.6638 -5.6638 -5.4724 -5.4724 -5.3698 -5.3698 2.5085 2.5085 5.3871 5.3871 5.9723 5.9723 6.6326 6.6326 6.6709 6.6709 7.2116 7.2116 9.6197 9.6197 14.2170 14.2170 14.6601 14.6601 18.0281 18.0281 k = 0.5859 0.1708-0.4349 ( 3082 PWs) bands (ev): -40.1900 -40.1900 -12.4093 -12.4093 -12.2624 -12.2624 -12.1100 -12.1100 -8.5572 -8.5572 -8.2079 -8.2079 -6.4935 -6.4935 -6.2716 -6.2716 -5.6675 -5.6675 -5.4759 -5.4759 -5.3767 -5.3767 2.4823 2.4823 5.4318 5.4318 5.9741 5.9741 6.6461 6.6461 6.6849 6.6849 7.2219 7.2219 9.6205 9.6205 14.3397 14.3397 14.6331 14.6331 18.0995 18.0995 k = 0.5829 0.1700-0.4168 ( 3078 PWs) bands (ev): -40.1904 -40.1904 -12.4078 -12.4078 -12.2592 -12.2592 -12.1086 -12.1086 -8.5653 -8.5653 -8.2162 -8.2162 -6.4946 -6.4946 -6.2786 -6.2786 -5.6713 -5.6713 -5.4793 -5.4793 -5.3832 -5.3832 2.4574 2.4574 5.4667 5.4667 5.9864 5.9864 6.6594 6.6594 6.6989 6.6989 7.2325 7.2325 9.6219 9.6219 14.3432 14.3432 14.7278 14.7278 18.1724 18.1724 k = 0.5800 0.1691-0.3987 ( 3082 PWs) bands (ev): -40.1907 -40.1907 -12.4069 -12.4069 -12.2554 -12.2554 -12.1072 -12.1072 -8.5740 -8.5740 -8.2242 -8.2242 -6.4959 -6.4959 -6.2855 -6.2855 -5.6752 -5.6752 -5.4828 -5.4828 -5.3894 -5.3894 2.4337 2.4337 5.4903 5.4903 6.0107 6.0107 6.6725 6.6725 6.7127 6.7127 7.2432 7.2432 9.6240 9.6240 14.2743 14.2743 14.8971 14.8971 18.2464 18.2464 k = 0.5770 0.1682-0.3807 ( 3084 PWs) bands (ev): -40.1911 -40.1911 -12.4067 -12.4067 -12.2510 -12.2510 -12.1057 -12.1057 -8.5832 -8.5832 -8.2317 -8.2317 -6.4973 -6.4973 -6.2923 -6.2923 -5.6792 -5.6792 -5.4863 -5.4863 -5.3952 -5.3952 2.4112 2.4112 5.5024 5.5024 6.0469 6.0469 6.6853 6.6853 6.7264 6.7264 7.2542 7.2542 9.6267 9.6267 14.1868 14.1868 15.0872 15.0872 18.3215 18.3215 k = 0.5740 0.1674-0.3626 ( 3082 PWs) bands (ev): -40.1914 -40.1914 -12.4070 -12.4070 -12.2461 -12.2461 -12.1041 -12.1041 -8.5929 -8.5929 -8.2389 -8.2389 -6.4989 -6.4989 -6.2990 -6.2990 -5.6833 -5.6833 -5.4898 -5.4898 -5.4005 -5.4005 2.3900 2.3900 5.5044 5.5044 6.0936 6.0936 6.6978 6.6978 6.7402 6.7402 7.2654 7.2654 9.6298 9.6298 14.0935 14.0935 15.2853 15.2853 18.3975 18.3975 k = 0.5711 0.1665-0.3445 ( 3076 PWs) bands (ev): -40.1918 -40.1918 -12.4077 -12.4077 -12.2406 -12.2406 -12.1024 -12.1024 -8.6029 -8.6029 -8.2457 -8.2457 -6.5007 -6.5007 -6.3055 -6.3055 -5.6874 -5.6874 -5.4933 -5.4933 -5.4054 -5.4054 2.3701 2.3701 5.4987 5.4987 6.1484 6.1484 6.7100 6.7100 6.7539 6.7539 7.2767 7.2767 9.6333 9.6333 13.9978 13.9978 15.4875 15.4875 18.4740 18.4740 k = 0.5681 0.1656-0.3265 ( 3074 PWs) bands (ev): -40.1921 -40.1921 -12.4089 -12.4089 -12.2349 -12.2349 -12.1007 -12.1007 -8.6132 -8.6132 -8.2521 -8.2521 -6.5026 -6.5026 -6.3119 -6.3119 -5.6915 -5.6915 -5.4967 -5.4967 -5.4099 -5.4099 2.3513 2.3513 5.4872 5.4872 6.2090 6.2090 6.7218 6.7218 6.7678 6.7678 7.2881 7.2881 9.6371 9.6371 13.9012 13.9012 15.6925 15.6925 18.5510 18.5510 k = 0.5651 0.1648-0.3084 ( 3072 PWs) bands (ev): -40.1925 -40.1925 -12.4105 -12.4105 -12.2289 -12.2289 -12.0988 -12.0988 -8.6237 -8.6237 -8.2582 -8.2582 -6.5046 -6.5046 -6.3180 -6.3180 -5.6957 -5.6957 -5.5002 -5.5002 -5.4140 -5.4140 2.3337 2.3337 5.4719 5.4719 6.2733 6.2733 6.7333 6.7333 6.7819 6.7819 7.2995 7.2995 9.6411 9.6411 13.8045 13.8045 15.8992 15.8992 18.6281 18.6281 k = 0.5622 0.1639-0.2904 ( 3074 PWs) bands (ev): -40.1928 -40.1928 -12.4124 -12.4124 -12.2229 -12.2229 -12.0968 -12.0968 -8.6344 -8.6344 -8.2640 -8.2640 -6.5068 -6.5068 -6.3239 -6.3239 -5.6998 -5.6998 -5.5036 -5.5036 -5.4176 -5.4176 2.3172 2.3172 5.4541 5.4541 6.3396 6.3396 6.7444 6.7444 6.7964 6.7964 7.3109 7.3109 9.6453 9.6453 13.7081 13.7081 16.1070 16.1070 18.7051 18.7051 k = 0.5592 0.1631-0.2723 ( 3070 PWs) bands (ev): -40.1931 -40.1931 -12.4144 -12.4144 -12.2166 -12.2166 -12.0948 -12.0948 -8.6452 -8.6452 -8.2695 -8.2695 -6.5091 -6.5091 -6.3295 -6.3295 -5.7039 -5.7039 -5.5070 -5.5070 -5.4208 -5.4208 2.3019 2.3019 5.4346 5.4346 6.4065 6.4065 6.7552 6.7552 6.8118 6.8118 7.3223 7.3223 9.6496 9.6496 13.6124 13.6124 16.3151 16.3151 18.7816 18.7816 k = 0.5563 0.1622-0.2542 ( 3071 PWs) bands (ev): -40.1934 -40.1934 -12.4167 -12.4167 -12.2105 -12.2105 -12.0926 -12.0926 -8.6560 -8.6560 -8.2747 -8.2747 -6.5114 -6.5114 -6.3349 -6.3349 -5.7080 -5.7080 -5.5103 -5.5103 -5.4237 -5.4237 2.2876 2.2876 5.4143 5.4143 6.4726 6.4726 6.7655 6.7655 6.8285 6.8285 7.3335 7.3335 9.6540 9.6540 13.5179 13.5179 16.5230 16.5230 18.8573 18.8573 k = 0.5533 0.1613-0.2362 ( 3077 PWs) bands (ev): -40.1938 -40.1938 -12.4191 -12.4191 -12.2044 -12.2044 -12.0904 -12.0904 -8.6667 -8.6667 -8.2796 -8.2796 -6.5139 -6.5139 -6.3401 -6.3401 -5.7120 -5.7120 -5.5136 -5.5136 -5.4261 -5.4261 2.2744 2.2744 5.3935 5.3935 6.5363 6.5363 6.7754 6.7754 6.8474 6.8474 7.3446 7.3446 9.6584 9.6584 13.4247 13.4247 16.7297 16.7297 18.9314 18.9314 k = 0.5503 0.1605-0.2181 ( 3076 PWs) bands (ev): -40.1941 -40.1941 -12.4216 -12.4216 -12.1985 -12.1985 -12.0880 -12.0880 -8.6772 -8.6772 -8.2843 -8.2843 -6.5164 -6.5164 -6.3449 -6.3449 -5.7159 -5.7159 -5.5167 -5.5167 -5.4283 -5.4283 2.2622 2.2622 5.3728 5.3728 6.5957 6.5957 6.7850 6.7850 6.8698 6.8698 7.3554 7.3554 9.6628 9.6628 13.3334 13.3334 16.9346 16.9346 19.0032 19.0032 k = 0.5474 0.1596-0.2001 ( 3072 PWs) bands (ev): -40.1943 -40.1943 -12.4240 -12.4240 -12.1928 -12.1928 -12.0856 -12.0856 -8.6876 -8.6876 -8.2887 -8.2887 -6.5189 -6.5189 -6.3495 -6.3495 -5.7196 -5.7196 -5.5197 -5.5197 -5.4301 -5.4301 2.2509 2.2509 5.3523 5.3523 6.6488 6.6488 6.7941 6.7941 6.8973 6.8973 7.3660 7.3660 9.6671 9.6671 13.2442 13.2442 17.1367 17.1367 19.0713 19.0713 k = 0.5444 0.1587-0.1820 ( 3073 PWs) bands (ev): -40.1946 -40.1946 -12.4265 -12.4265 -12.1874 -12.1874 -12.0830 -12.0830 -8.6976 -8.6976 -8.2929 -8.2929 -6.5214 -6.5214 -6.3538 -6.3538 -5.7232 -5.7232 -5.5226 -5.5226 -5.4317 -5.4317 2.2406 2.2406 5.3324 5.3324 6.6934 6.6934 6.8029 6.8029 6.9314 6.9314 7.3763 7.3763 9.6713 9.6713 13.1574 13.1574 17.3348 17.3348 19.1332 19.1332 k = 0.5415 0.1579-0.1639 ( 3071 PWs) bands (ev): -40.1949 -40.1949 -12.4290 -12.4290 -12.1823 -12.1823 -12.0804 -12.0804 -8.7074 -8.7074 -8.2968 -8.2968 -6.5240 -6.5240 -6.3578 -6.3578 -5.7267 -5.7267 -5.5254 -5.5254 -5.4330 -5.4330 2.2311 2.2311 5.3131 5.3131 6.7287 6.7287 6.8113 6.8113 6.9725 6.9725 7.3862 7.3862 9.6754 9.6754 13.0735 13.0735 17.5277 17.5277 19.1851 19.1851 k = 0.5385 0.1570-0.1459 ( 3072 PWs) bands (ev): -40.1951 -40.1951 -12.4314 -12.4314 -12.1775 -12.1775 -12.0777 -12.0777 -8.7167 -8.7167 -8.3005 -8.3005 -6.5264 -6.5264 -6.3615 -6.3615 -5.7300 -5.7300 -5.5280 -5.5280 -5.4341 -5.4341 2.2225 2.2225 5.2947 5.2947 6.7556 6.7556 6.8193 6.8193 7.0194 7.0194 7.3956 7.3956 9.6792 9.6792 12.9928 12.9928 17.7138 17.7138 19.2224 19.2224 k = 0.5355 0.1561-0.1278 ( 3071 PWs) bands (ev): -40.1954 -40.1954 -12.4337 -12.4337 -12.1731 -12.1731 -12.0750 -12.0750 -8.7255 -8.7255 -8.3040 -8.3040 -6.5288 -6.5288 -6.3649 -6.3649 -5.7331 -5.7331 -5.5305 -5.5305 -5.4350 -5.4350 2.2147 2.2147 5.2773 5.2773 6.7757 6.7757 6.8269 6.8269 7.0698 7.0698 7.4046 7.4046 9.6829 9.6829 12.9158 12.9158 17.8913 17.8913 19.2445 19.2445 k = 0.5326 0.1553-0.1097 ( 3069 PWs) bands (ev): -40.1956 -40.1956 -12.4358 -12.4358 -12.1691 -12.1691 -12.0723 -12.0723 -8.7339 -8.7339 -8.3072 -8.3072 -6.5311 -6.5311 -6.3681 -6.3681 -5.7360 -5.7360 -5.5327 -5.5327 -5.4358 -5.4358 2.2077 2.2077 5.2610 5.2610 6.7911 6.7911 6.8340 6.8340 7.1214 7.1214 7.4130 7.4130 9.6864 9.6864 12.8427 12.8427 18.0580 18.0580 19.2559 19.2559 k = 0.5296 0.1544-0.0917 ( 3065 PWs) bands (ev): -40.1958 -40.1958 -12.4379 -12.4379 -12.1655 -12.1655 -12.0697 -12.0697 -8.7417 -8.7417 -8.3102 -8.3102 -6.5333 -6.5333 -6.3709 -6.3709 -5.7387 -5.7387 -5.5348 -5.5348 -5.4364 -5.4364 2.2014 2.2014 5.2458 5.2458 6.8031 6.8031 6.8407 6.8407 7.1725 7.1725 7.4209 7.4209 9.6896 9.6896 12.7740 12.7740 18.2117 18.2117 19.2626 19.2626 k = 0.5267 0.1536-0.0736 ( 3068 PWs) bands (ev): -40.1959 -40.1959 -12.4398 -12.4398 -12.1623 -12.1623 -12.0671 -12.0671 -8.7489 -8.7489 -8.3129 -8.3129 -6.5354 -6.5354 -6.3735 -6.3735 -5.7411 -5.7411 -5.5367 -5.5367 -5.4369 -5.4369 2.1958 2.1958 5.2318 5.2318 6.8126 6.8126 6.8469 6.8469 7.2215 7.2215 7.4283 7.4283 9.6926 9.6926 12.7102 12.7102 18.3498 18.3498 19.2690 19.2690 k = 0.5237 0.1527-0.0556 ( 3070 PWs) bands (ev): -40.1961 -40.1961 -12.4416 -12.4416 -12.1595 -12.1595 -12.0647 -12.0647 -8.7554 -8.7554 -8.3154 -8.3154 -6.5373 -6.5373 -6.3758 -6.3758 -5.7433 -5.7433 -5.5384 -5.5384 -5.4373 -5.4373 2.1909 2.1909 5.2192 5.2192 6.8203 6.8203 6.8525 6.8525 7.2676 7.2676 7.4349 7.4349 9.6952 9.6952 12.6517 12.6517 18.4699 18.4699 19.2779 19.2779 k = 0.5207 0.1518-0.0375 ( 3074 PWs) bands (ev): -40.1963 -40.1963 -12.4431 -12.4431 -12.1571 -12.1571 -12.0625 -12.0625 -8.7613 -8.7613 -8.3175 -8.3175 -6.5390 -6.5390 -6.3779 -6.3779 -5.7453 -5.7453 -5.5400 -5.5400 -5.4376 -5.4376 2.1866 2.1866 5.2079 5.2079 6.8266 6.8266 6.8574 6.8574 7.3099 7.3099 7.4410 7.4410 9.6976 9.6976 12.5989 12.5989 18.5702 18.5702 19.2909 19.2909 k = 0.5178 0.1510-0.0194 ( 3079 PWs) bands (ev): -40.1964 -40.1964 -12.4446 -12.4446 -12.1550 -12.1550 -12.0604 -12.0604 -8.7664 -8.7664 -8.3195 -8.3195 -6.5405 -6.5405 -6.3796 -6.3796 -5.7470 -5.7470 -5.5413 -5.5413 -5.4379 -5.4379 2.1830 2.1830 5.1981 5.1981 6.8317 6.8317 6.8618 6.8618 7.3477 7.3477 7.4464 7.4464 9.6997 9.6997 12.5521 12.5521 18.6500 18.6500 19.3085 19.3085 k = 0.5148 0.1501-0.0014 ( 3087 PWs) bands (ev): -40.1965 -40.1965 -12.4458 -12.4458 -12.1533 -12.1533 -12.0587 -12.0587 -8.7708 -8.7708 -8.3211 -8.3211 -6.5418 -6.5418 -6.3811 -6.3811 -5.7485 -5.7485 -5.5424 -5.5424 -5.4381 -5.4381 2.1800 2.1800 5.1897 5.1897 6.8358 6.8358 6.8655 6.8655 7.3804 7.3804 7.4512 7.4512 9.7015 9.7015 12.5118 12.5118 18.7102 18.7102 19.3294 19.3294 k = 0.5118 0.1492 0.0167 ( 3088 PWs) bands (ev): -40.1966 -40.1966 -12.4468 -12.4468 -12.1519 -12.1519 -12.0571 -12.0571 -8.7744 -8.7744 -8.3224 -8.3224 -6.5429 -6.5429 -6.3823 -6.3823 -5.7497 -5.7497 -5.5433 -5.5433 -5.4382 -5.4382 2.1775 2.1775 5.1827 5.1827 6.8390 6.8390 6.8686 6.8686 7.4074 7.4074 7.4556 7.4556 9.7030 9.7030 12.4783 12.4783 18.7534 18.7534 19.3514 19.3514 k = 0.5089 0.1484 0.0348 ( 3092 PWs) bands (ev): -40.1967 -40.1967 -12.4476 -12.4476 -12.1509 -12.1509 -12.0559 -12.0559 -8.7773 -8.7773 -8.3235 -8.3235 -6.5438 -6.5438 -6.3832 -6.3832 -5.7506 -5.7506 -5.5440 -5.5440 -5.4383 -5.4383 2.1756 2.1756 5.1773 5.1773 6.8415 6.8415 6.8709 6.8709 7.4280 7.4280 7.4598 7.4598 9.7041 9.7041 12.4519 12.4519 18.7826 18.7826 19.3719 19.3719 k = 0.5059 0.1475 0.0528 ( 3092 PWs) bands (ev): -40.1967 -40.1967 -12.4481 -12.4481 -12.1501 -12.1501 -12.0551 -12.0551 -8.7793 -8.7793 -8.3243 -8.3243 -6.5444 -6.5444 -6.3839 -6.3839 -5.7513 -5.7513 -5.5445 -5.5445 -5.4384 -5.4384 2.1743 2.1743 5.1734 5.1734 6.8432 6.8432 6.8726 6.8726 7.4416 7.4416 7.4642 7.4642 9.7049 9.7049 12.4329 12.4329 18.8011 18.8011 19.3883 19.3883 k = 0.5030 0.1466 0.0709 ( 3088 PWs) bands (ev): -40.1968 -40.1968 -12.4484 -12.4484 -12.1496 -12.1496 -12.0545 -12.0545 -8.7806 -8.7806 -8.3247 -8.3247 -6.5448 -6.5448 -6.3843 -6.3843 -5.7517 -5.7517 -5.5448 -5.5448 -5.4384 -5.4384 2.1734 2.1734 5.1711 5.1711 6.8443 6.8443 6.8737 6.8737 7.4483 7.4483 7.4683 7.4683 9.7054 9.7054 12.4214 12.4214 18.8112 18.8112 19.3989 19.3989 k = 0.5000 0.1458 0.0889 ( 3086 PWs) bands (ev): -40.1968 -40.1968 -12.4485 -12.4485 -12.1495 -12.1495 -12.0543 -12.0543 -8.7810 -8.7810 -8.3249 -8.3249 -6.5449 -6.5449 -6.3845 -6.3845 -5.7518 -5.7518 -5.5449 -5.5449 -5.4384 -5.4384 2.1732 2.1732 5.1703 5.1703 6.8447 6.8447 6.8740 6.8740 7.4503 7.4503 7.4701 7.4701 9.7056 9.7056 12.4175 12.4175 18.8145 18.8145 19.4025 19.4025 k = 0.5000-0.7845-0.4786 ( 3080 PWs) bands (ev): -40.1838 -40.1838 -12.5081 -12.5081 -12.2462 -12.2462 -12.1230 -12.1230 -8.3347 -8.3347 -8.1834 -8.1834 -6.4901 -6.4901 -6.1477 -6.1477 -5.6124 -5.6124 -5.4112 -5.4112 -5.2077 -5.2077 3.8897 3.8897 4.3870 4.3870 5.0848 5.0848 6.0643 6.0643 6.6300 6.6300 6.8339 6.8339 10.5762 10.5762 11.5435 11.5435 16.2421 16.2421 17.1205 17.1205 k = 0.5157-0.7772-0.4742 ( 3084 PWs) bands (ev): -40.1839 -40.1839 -12.5081 -12.5081 -12.2462 -12.2462 -12.1230 -12.1230 -8.3360 -8.3360 -8.1821 -8.1821 -6.4901 -6.4901 -6.1477 -6.1477 -5.6124 -5.6124 -5.4112 -5.4112 -5.2077 -5.2077 3.8855 3.8855 4.3877 4.3877 5.0880 5.0880 6.0669 6.0669 6.6283 6.6283 6.8358 6.8358 10.5743 10.5743 11.5420 11.5420 16.2424 16.2424 17.1203 17.1203 k = 0.5314-0.7700-0.4697 ( 3082 PWs) bands (ev): -40.1839 -40.1839 -12.5080 -12.5080 -12.2462 -12.2462 -12.1230 -12.1230 -8.3397 -8.3397 -8.1783 -8.1783 -6.4902 -6.4902 -6.1478 -6.1478 -5.6124 -5.6124 -5.4112 -5.4112 -5.2078 -5.2078 3.8734 3.8734 4.3894 4.3894 5.0975 5.0975 6.0746 6.0746 6.6231 6.6231 6.8413 6.8413 10.5686 10.5686 11.5375 11.5375 16.2433 16.2433 17.1197 17.1197 k = 0.5471-0.7627-0.4653 ( 3084 PWs) bands (ev): -40.1839 -40.1839 -12.5079 -12.5079 -12.2462 -12.2462 -12.1230 -12.1230 -8.3454 -8.3454 -8.1724 -8.1724 -6.4902 -6.4902 -6.1479 -6.1479 -5.6124 -5.6124 -5.4112 -5.4112 -5.2081 -5.2081 3.8541 3.8541 4.3913 4.3913 5.1135 5.1135 6.0873 6.0873 6.6152 6.6152 6.8499 6.8499 10.5592 10.5592 11.5300 11.5300 16.2447 16.2447 17.1188 17.1188 k = 0.5628-0.7554-0.4609 ( 3087 PWs) bands (ev): -40.1839 -40.1839 -12.5078 -12.5078 -12.2462 -12.2462 -12.1230 -12.1230 -8.3528 -8.3528 -8.1648 -8.1648 -6.4903 -6.4903 -6.1480 -6.1480 -5.6125 -5.6125 -5.4112 -5.4112 -5.2083 -5.2083 3.8290 3.8290 4.3924 4.3924 5.1357 5.1357 6.1047 6.1047 6.6051 6.6051 6.8608 6.8608 10.5460 10.5460 11.5197 11.5197 16.2468 16.2468 17.1174 17.1174 k = 0.5785-0.7481-0.4564 ( 3097 PWs) bands (ev): -40.1839 -40.1839 -12.5077 -12.5077 -12.2463 -12.2463 -12.1231 -12.1231 -8.3613 -8.3613 -8.1559 -8.1559 -6.4904 -6.4904 -6.1482 -6.1482 -5.6125 -5.6125 -5.4112 -5.4112 -5.2087 -5.2087 3.7995 3.7995 4.3916 4.3916 5.1640 5.1640 6.1265 6.1265 6.5933 6.5933 6.8736 6.8736 10.5294 10.5294 11.5065 11.5065 16.2493 16.2493 17.1158 17.1158 k = 0.5942-0.7408-0.4520 ( 3097 PWs) bands (ev): -40.1839 -40.1839 -12.5075 -12.5075 -12.2463 -12.2463 -12.1230 -12.1230 -8.3705 -8.3705 -8.1462 -8.1462 -6.4905 -6.4905 -6.1484 -6.1484 -5.6126 -5.6126 -5.4112 -5.4112 -5.2091 -5.2091 3.7668 3.7668 4.3886 4.3886 5.1980 5.1980 6.1523 6.1523 6.5806 6.5806 6.8877 6.8877 10.5093 10.5093 11.4908 11.4908 16.2524 16.2524 17.1138 17.1138 k = 0.6099-0.7335-0.4475 ( 3095 PWs) bands (ev): -40.1839 -40.1839 -12.5073 -12.5073 -12.2462 -12.2462 -12.1230 -12.1230 -8.3803 -8.3803 -8.1360 -8.1360 -6.4906 -6.4906 -6.1486 -6.1486 -5.6127 -5.6127 -5.4111 -5.4111 -5.2096 -5.2096 3.7318 3.7318 4.3829 4.3829 5.2373 5.2373 6.1818 6.1818 6.5671 6.5671 6.9027 6.9027 10.4860 10.4860 11.4726 11.4726 16.2559 16.2559 17.1114 17.1114 k = 0.6256-0.7262-0.4431 ( 3095 PWs) bands (ev): -40.1839 -40.1839 -12.5070 -12.5070 -12.2462 -12.2462 -12.1230 -12.1230 -8.3903 -8.3903 -8.1255 -8.1255 -6.4907 -6.4907 -6.1488 -6.1488 -5.6127 -5.6127 -5.4111 -5.4111 -5.2102 -5.2102 3.6956 3.6956 4.3745 4.3745 5.2810 5.2810 6.2145 6.2145 6.5533 6.5533 6.9182 6.9182 10.4597 10.4597 11.4521 11.4521 16.2599 16.2599 17.1089 17.1089 k = 0.6413-0.7189-0.4386 ( 3093 PWs) bands (ev): -40.1839 -40.1839 -12.5067 -12.5067 -12.2461 -12.2461 -12.1230 -12.1230 -8.4004 -8.4004 -8.1148 -8.1148 -6.4908 -6.4908 -6.1491 -6.1491 -5.6128 -5.6128 -5.4111 -5.4111 -5.2108 -5.2108 3.6587 3.6587 4.3637 4.3637 5.3285 5.3285 6.2499 6.2499 6.5394 6.5394 6.9340 6.9340 10.4306 10.4306 11.4296 11.4296 16.2642 16.2642 17.1060 17.1060 k = 0.6569-0.7116-0.4342 ( 3091 PWs) bands (ev): -40.1839 -40.1839 -12.5064 -12.5064 -12.2461 -12.2461 -12.1229 -12.1229 -8.4105 -8.4105 -8.1042 -8.1042 -6.4910 -6.4910 -6.1494 -6.1494 -5.6129 -5.6129 -5.4110 -5.4110 -5.2115 -5.2115 3.6217 3.6217 4.3509 4.3509 5.3789 5.3789 6.2877 6.2877 6.5256 6.5256 6.9500 6.9500 10.3990 10.3990 11.4052 11.4052 16.2688 16.2688 17.1030 17.1030 k = 0.6726-0.7044-0.4297 ( 3093 PWs) bands (ev): -40.1839 -40.1839 -12.5061 -12.5061 -12.2461 -12.2461 -12.1229 -12.1229 -8.4204 -8.4204 -8.0937 -8.0937 -6.4911 -6.4911 -6.1498 -6.1498 -5.6130 -5.6130 -5.4110 -5.4110 -5.2121 -5.2121 3.5852 3.5852 4.3365 4.3365 5.4314 5.4314 6.3274 6.3274 6.5119 6.5119 6.9660 6.9660 10.3652 10.3652 11.3792 11.3792 16.2736 16.2736 17.0998 17.0998 k = 0.6883-0.6971-0.4253 ( 3093 PWs) bands (ev): -40.1839 -40.1839 -12.5058 -12.5058 -12.2461 -12.2461 -12.1229 -12.1229 -8.4300 -8.4300 -8.0835 -8.0835 -6.4913 -6.4913 -6.1501 -6.1501 -5.6131 -5.6131 -5.4110 -5.4110 -5.2128 -5.2128 3.5494 3.5494 4.3208 4.3208 5.4854 5.4854 6.3685 6.3685 6.4986 6.4986 6.9817 6.9817 10.3296 10.3296 11.3520 11.3520 16.2786 16.2786 17.0965 17.0965 k = 0.7040-0.6898-0.4208 ( 3089 PWs) bands (ev): -40.1839 -40.1839 -12.5054 -12.5054 -12.2460 -12.2460 -12.1228 -12.1228 -8.4393 -8.4393 -8.0736 -8.0736 -6.4915 -6.4915 -6.1505 -6.1505 -5.6132 -5.6132 -5.4110 -5.4110 -5.2135 -5.2135 3.5146 3.5146 4.3043 4.3043 5.5401 5.5401 6.4107 6.4107 6.4858 6.4858 6.9972 6.9972 10.2925 10.2925 11.3237 11.3237 16.2836 16.2836 17.0930 17.0930 k = 0.7197-0.6825-0.4164 ( 3086 PWs) bands (ev): -40.1839 -40.1839 -12.5050 -12.5050 -12.2460 -12.2460 -12.1228 -12.1228 -8.4482 -8.4482 -8.0642 -8.0642 -6.4916 -6.4916 -6.1508 -6.1508 -5.6133 -5.6133 -5.4110 -5.4110 -5.2143 -5.2143 3.4812 3.4812 4.2874 4.2874 5.5948 5.5948 6.4524 6.4524 6.4747 6.4747 7.0123 7.0123 10.2543 10.2543 11.2947 11.2947 16.2886 16.2886 17.0895 17.0895 k = 0.7354-0.6752-0.4119 ( 3093 PWs) bands (ev): -40.1839 -40.1839 -12.5047 -12.5047 -12.2460 -12.2460 -12.1228 -12.1228 -8.4567 -8.4567 -8.0552 -8.0552 -6.4918 -6.4918 -6.1512 -6.1512 -5.6135 -5.6135 -5.4110 -5.4110 -5.2150 -5.2150 3.4492 3.4492 4.2703 4.2703 5.6488 5.6488 6.4596 6.4596 6.4991 6.4991 7.0270 7.0270 10.2155 10.2155 11.2653 11.2653 16.2934 16.2934 17.0859 17.0859 k = 0.7511-0.6679-0.4075 ( 3092 PWs) bands (ev): -40.1839 -40.1839 -12.5043 -12.5043 -12.2460 -12.2460 -12.1228 -12.1228 -8.4647 -8.4647 -8.0468 -8.0468 -6.4919 -6.4919 -6.1515 -6.1515 -5.6136 -5.6136 -5.4110 -5.4110 -5.2157 -5.2157 3.4189 3.4189 4.2535 4.2535 5.7015 5.7015 6.4488 6.4488 6.5422 6.5422 7.0411 7.0411 10.1766 10.1766 11.2359 11.2359 16.2979 16.2979 17.0822 17.0822 k = 0.7668-0.6606-0.4030 ( 3087 PWs) bands (ev): -40.1839 -40.1839 -12.5039 -12.5039 -12.2459 -12.2459 -12.1227 -12.1227 -8.4722 -8.4722 -8.0390 -8.0390 -6.4921 -6.4921 -6.1519 -6.1519 -5.6137 -5.6137 -5.4110 -5.4110 -5.2163 -5.2163 3.3904 3.3904 4.2371 4.2371 5.7522 5.7522 6.4382 6.4382 6.5856 6.5856 7.0546 7.0546 10.1379 10.1379 11.2068 11.2068 16.3020 16.3020 17.0786 17.0786 k = 0.7825-0.6533-0.3986 ( 3087 PWs) bands (ev): -40.1840 -40.1840 -12.5035 -12.5035 -12.2459 -12.2459 -12.1227 -12.1227 -8.4791 -8.4791 -8.0318 -8.0318 -6.4922 -6.4922 -6.1522 -6.1522 -5.6138 -5.6138 -5.4110 -5.4110 -5.2170 -5.2170 3.3637 3.3637 4.2214 4.2214 5.8003 5.8003 6.4282 6.4282 6.6285 6.6285 7.0675 7.0675 10.1000 10.1000 11.1782 11.1782 16.3056 16.3056 17.0750 17.0750 k = 0.7982-0.6460-0.3941 ( 3091 PWs) bands (ev): -40.1840 -40.1840 -12.5031 -12.5031 -12.2460 -12.2460 -12.1227 -12.1227 -8.4854 -8.4854 -8.0253 -8.0253 -6.4923 -6.4923 -6.1526 -6.1526 -5.6139 -5.6139 -5.4110 -5.4110 -5.2176 -5.2176 3.3390 3.3390 4.2066 4.2066 5.8453 5.8453 6.4188 6.4188 6.6705 6.6705 7.0797 7.0797 10.0634 10.0634 11.1507 11.1507 16.3085 16.3085 17.0714 17.0714 k = 0.8139-0.6388-0.3897 ( 3092 PWs) bands (ev): -40.1840 -40.1840 -12.5027 -12.5027 -12.2460 -12.2460 -12.1226 -12.1226 -8.4912 -8.4912 -8.0195 -8.0195 -6.4924 -6.4924 -6.1529 -6.1529 -5.6140 -5.6140 -5.4111 -5.4111 -5.2181 -5.2181 3.3164 3.3164 4.1928 4.1928 5.8864 5.8864 6.4102 6.4102 6.7115 6.7115 7.0910 7.0910 10.0286 10.0286 11.1245 11.1245 16.3108 16.3108 17.0679 17.0679 Writing output data file NaInO2.save init_run : 0.31s CPU 0.44s WALL ( 1 calls) electrons : 143.88s CPU 145.54s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 143.88s CPU 145.53s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.03s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.04s WALL ( 376 calls) cegterg : 127.42s CPU 128.64s WALL ( 378 calls) Called by sum_band: Called by *egterg: h_psi : 100.50s CPU 101.64s WALL ( 6437 calls) s_psi : 1.45s CPU 1.41s WALL ( 6437 calls) g_psi : 0.14s CPU 0.13s WALL ( 5683 calls) cdiaghg : 29.34s CPU 29.73s WALL ( 6059 calls) cegterg:over : 2.92s CPU 2.96s WALL ( 5683 calls) cegterg:upda : 2.02s CPU 2.12s WALL ( 5683 calls) cegterg:last : 1.60s CPU 1.44s WALL ( 1130 calls) cdiaghg:chol : 1.70s CPU 1.60s WALL ( 6059 calls) cdiaghg:inve : 0.85s CPU 0.89s WALL ( 6059 calls) cdiaghg:para : 1.61s CPU 1.71s WALL ( 12118 calls) Called by h_psi: h_psi:vloc : 96.60s CPU 97.77s WALL ( 6437 calls) h_psi:vnl : 3.75s CPU 3.75s WALL ( 6437 calls) add_vuspsi : 1.92s CPU 1.81s WALL ( 6437 calls) General routines calbec : 1.82s CPU 1.93s WALL ( 6437 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 91.02s CPU 92.13s WALL ( 597284 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.15s CPU 0.16s WALL ( 752 calls) Parallel routines fft_scatter : 22.72s CPU 23.10s WALL ( 597307 calls) PWSCF : 2m38.10s CPU 3m 1.44s WALL This run was terminated on: 19:44:10 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=